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 2aw3_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.575 174.600 -0.042 0.000 1.055 1 S CA 0.000 58.167 58.200 -0.055 0.000 1.107 1 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 2 Q N 1.575 121.346 119.800 -0.049 0.000 3.042 2 Q HA 0.020 4.361 4.340 0.001 0.000 0.358 2 Q C -2.097 173.927 176.000 0.040 0.000 1.064 2 Q CA -0.064 55.714 55.803 -0.041 0.000 1.188 2 Q CB -0.350 28.361 28.738 -0.044 0.000 0.967 2 Q HN 0.390 nan 8.270 nan 0.000 0.414 3 P HA 0.116 nan 4.420 nan 0.000 0.274 3 P C -0.812 176.762 177.300 0.457 0.000 1.231 3 P CA -0.085 63.142 63.100 0.211 0.000 0.790 3 P CB 0.584 32.380 31.700 0.161 0.000 0.951 4 I N 2.442 123.245 120.570 0.389 0.000 2.321 4 I HA 0.263 4.433 4.170 0.001 0.000 0.291 4 I C 0.232 176.413 176.117 0.107 0.000 0.998 4 I CA -0.627 60.838 61.300 0.276 0.000 1.227 4 I CB 0.227 38.297 38.000 0.115 0.000 1.368 4 I HN 0.239 nan 8.210 nan 0.000 0.466 5 F N 7.203 126.914 119.950 -0.399 0.000 2.529 5 F HA 0.230 4.758 4.527 0.001 0.000 0.365 5 F C 0.417 175.945 175.800 -0.453 0.000 1.102 5 F CA 0.303 57.701 58.000 -1.004 0.000 1.271 5 F CB 0.329 38.506 39.000 -1.371 0.000 1.120 5 F HN 0.511 nan 8.300 nan 0.000 0.579 6 N N 4.887 122.924 118.700 -1.105 0.000 2.461 6 N HA 0.068 4.809 4.740 0.001 0.000 0.284 6 N C -0.078 174.873 175.510 -0.931 0.000 1.049 6 N CA -0.348 52.285 53.050 -0.695 0.000 0.889 6 N CB 1.440 39.698 38.487 -0.383 0.000 1.365 6 N HN 0.875 nan 8.380 nan 0.000 0.499 7 D N 3.151 123.234 120.400 -0.528 0.000 2.144 7 D HA -0.132 4.508 4.640 0.001 0.000 0.199 7 D C 1.727 177.975 176.300 -0.085 0.000 0.984 7 D CA 1.406 55.278 54.000 -0.214 0.000 0.834 7 D CB 0.424 41.278 40.800 0.090 0.000 0.955 7 D HN 0.530 nan 8.370 nan 0.000 0.465 8 K N 0.089 120.425 120.400 -0.107 0.000 2.026 8 K HA -0.221 4.099 4.320 0.001 0.000 0.208 8 K C 2.237 178.780 176.600 -0.094 0.000 1.048 8 K CA 1.203 57.452 56.287 -0.063 0.000 0.929 8 K CB -0.181 32.282 32.500 -0.063 0.000 0.713 8 K HN 0.231 nan 8.250 nan 0.000 0.439 9 Q N -0.355 119.347 119.800 -0.162 0.000 2.112 9 Q HA -0.221 4.120 4.340 0.001 0.000 0.206 9 Q C 1.998 177.916 176.000 -0.136 0.000 0.987 9 Q CA 1.861 57.566 55.803 -0.163 0.000 0.858 9 Q CB -0.194 28.420 28.738 -0.206 0.000 0.905 9 Q HN 0.356 nan 8.270 nan 0.000 0.420 10 F N 1.107 120.861 119.950 -0.327 0.000 2.102 10 F HA -0.230 4.298 4.527 0.001 0.000 0.298 10 F C 2.255 178.018 175.800 -0.063 0.000 1.105 10 F CA 1.464 59.344 58.000 -0.200 0.000 1.239 10 F CB -0.208 38.683 39.000 -0.183 0.000 0.991 10 F HN 0.096 nan 8.300 nan 0.000 0.474 11 Q N 0.760 120.532 119.800 -0.047 0.000 2.061 11 Q HA -0.235 4.106 4.340 0.001 0.000 0.204 11 Q C 2.149 178.066 176.000 -0.139 0.000 0.984 11 Q CA 2.210 57.983 55.803 -0.050 0.000 0.846 11 Q CB -0.818 27.988 28.738 0.114 0.000 0.902 11 Q HN 0.601 nan 8.270 nan 0.000 0.421 12 E N 0.741 120.860 120.200 -0.135 0.000 2.077 12 E HA -0.134 4.217 4.350 0.001 0.000 0.193 12 E C 1.971 178.416 176.600 -0.259 0.000 0.989 12 E CA 1.007 57.302 56.400 -0.175 0.000 0.800 12 E CB -0.148 29.469 29.700 -0.138 0.000 0.746 12 E HN 0.363 nan 8.360 nan 0.000 0.452 13 A N 1.134 123.795 122.820 -0.266 0.000 1.933 13 A HA -0.162 4.159 4.320 0.001 0.000 0.218 13 A C 2.161 179.504 177.584 -0.402 0.000 1.175 13 A CA 1.003 52.864 52.037 -0.294 0.000 0.628 13 A CB -0.470 18.395 19.000 -0.225 0.000 0.814 13 A HN 0.224 nan 8.150 nan 0.000 0.444 14 L N 0.710 121.633 121.223 -0.500 0.000 2.093 14 L HA -0.115 4.226 4.340 0.001 0.000 0.208 14 L C 2.710 179.286 176.870 -0.490 0.000 1.085 14 L CA 2.624 57.161 54.840 -0.505 0.000 0.755 14 L CB -0.525 41.165 42.059 -0.615 0.000 0.904 14 L HN 0.493 nan 8.230 nan 0.000 0.435 15 S N -1.141 114.243 115.700 -0.527 0.000 2.428 15 S HA -0.145 4.325 4.470 0.001 0.000 0.230 15 S C 2.109 176.015 174.600 -1.156 0.000 1.014 15 S CA 0.510 58.076 58.200 -1.057 0.000 0.957 15 S CB -0.556 62.294 63.200 -0.585 0.000 0.784 15 S HN 0.504 nan 8.310 nan 0.000 0.499 16 R N 0.801 120.886 120.500 -0.692 0.000 2.120 16 R HA -0.041 4.299 4.340 0.001 0.000 0.234 16 R C 2.593 178.523 176.300 -0.616 0.000 1.123 16 R CA 1.550 57.309 56.100 -0.569 0.000 0.975 16 R CB -0.276 29.788 30.300 -0.392 0.000 0.866 16 R HN 0.520 nan 8.270 nan 0.000 0.446 17 Q N -0.021 119.391 119.800 -0.646 0.000 2.020 17 Q HA -0.173 4.167 4.340 0.001 0.000 0.198 17 Q C 2.096 177.527 176.000 -0.949 0.000 0.974 17 Q CA 1.555 56.922 55.803 -0.728 0.000 0.829 17 Q CB -0.565 27.835 28.738 -0.563 0.000 0.894 17 Q HN 0.641 nan 8.270 nan 0.000 0.433 18 W N 1.071 121.981 121.300 -0.650 0.000 2.425 18 W HA -0.035 4.626 4.660 0.001 0.000 0.277 18 W C 1.298 177.592 176.519 -0.374 0.000 1.231 18 W CA 0.478 57.511 57.345 -0.520 0.000 1.248 18 W CB -0.548 28.687 29.460 -0.374 0.000 1.117 18 W HN 0.205 nan 8.180 nan 0.000 0.568 19 Q N 1.037 120.483 119.800 -0.589 0.000 2.079 19 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 19 Q C 2.442 178.273 176.000 -0.283 0.000 0.974 19 Q CA 1.672 57.227 55.803 -0.414 0.000 0.840 19 Q CB -0.401 27.980 28.738 -0.596 0.000 0.898 19 Q HN 0.230 nan 8.270 nan 0.000 0.430 20 R N -0.051 120.210 120.500 -0.398 0.000 2.200 20 R HA -0.163 4.178 4.340 0.001 0.000 0.234 20 R C 0.884 177.095 176.300 -0.147 0.000 1.127 20 R CA 1.146 57.069 56.100 -0.296 0.000 0.989 20 R CB 0.098 30.185 30.300 -0.356 0.000 0.869 20 R HN 0.274 nan 8.270 nan 0.000 0.459 21 Y N -0.523 119.740 120.300 -0.063 0.000 2.490 21 Y HA 0.328 4.878 4.550 0.001 0.000 0.281 21 Y C 1.240 177.133 175.900 -0.010 0.000 1.174 21 Y CA -0.197 57.881 58.100 -0.037 0.000 1.295 21 Y CB -0.211 38.226 38.460 -0.039 0.000 1.062 21 Y HN 0.207 nan 8.280 nan 0.000 0.522 22 G N 1.191 110.043 108.800 0.088 0.000 2.333 22 G HA2 -0.265 3.696 3.960 0.001 0.000 0.296 22 G HA3 -0.265 3.696 3.960 0.001 0.000 0.296 22 G C -0.359 174.608 174.900 0.111 0.000 1.059 22 G CA 0.096 45.241 45.100 0.075 0.000 1.050 22 G HN 0.319 nan 8.290 nan 0.000 0.508 23 L N -0.842 120.490 121.223 0.182 0.000 2.332 23 L HA 0.490 4.830 4.340 0.001 0.000 0.269 23 L C 1.254 178.254 176.870 0.217 0.000 1.016 23 L CA -1.410 53.525 54.840 0.159 0.000 0.809 23 L CB 1.054 43.184 42.059 0.118 0.000 1.280 23 L HN 0.014 nan 8.230 nan 0.000 0.447 24 N N -0.123 118.610 118.700 0.056 0.000 2.376 24 N HA -0.021 4.719 4.740 0.001 0.000 0.177 24 N C 0.126 175.501 175.510 -0.226 0.000 1.024 24 N CA 0.513 53.584 53.050 0.034 0.000 0.893 24 N CB 0.279 38.759 38.487 -0.012 0.000 0.980 24 N HN 0.706 nan 8.380 nan 0.000 0.439 25 S N -2.194 113.110 115.700 -0.660 0.000 2.615 25 S HA 0.666 5.137 4.470 0.001 0.000 0.269 25 S C 0.563 174.259 174.600 -1.507 0.000 1.161 25 S CA -0.325 57.094 58.200 -1.300 0.000 0.817 25 S CB 1.434 64.305 63.200 -0.547 0.000 1.131 25 S HN 0.018 nan 8.310 nan 0.000 0.467 26 A N 0.990 122.786 122.820 -1.707 0.000 1.978 26 A HA 0.246 4.566 4.320 0.001 0.000 0.220 26 A C 2.231 179.559 177.584 -0.427 0.000 1.170 26 A CA 1.982 53.354 52.037 -1.107 0.000 0.636 26 A CB -1.528 17.109 19.000 -0.606 0.000 0.810 26 A HN 1.645 nan 8.150 nan 0.000 0.448 27 A N -0.358 122.372 122.820 -0.150 0.000 2.067 27 A HA -0.109 4.212 4.320 0.001 0.000 0.219 27 A C 1.767 179.367 177.584 0.026 0.000 1.158 27 A CA 1.435 53.531 52.037 0.098 0.000 0.661 27 A CB -0.417 18.618 19.000 0.060 0.000 0.801 27 A HN 0.650 nan 8.150 nan 0.000 0.452 28 E N -0.603 119.521 120.200 -0.127 0.000 2.347 28 E HA 0.014 4.365 4.350 0.001 0.000 0.196 28 E C 0.302 176.863 176.600 -0.064 0.000 1.008 28 E CA -0.145 56.206 56.400 -0.082 0.000 0.852 28 E CB -0.160 29.476 29.700 -0.106 0.000 0.783 28 E HN 0.636 nan 8.360 nan 0.000 0.505 29 M N 1.693 121.193 119.600 -0.166 0.000 2.250 29 M HA -0.026 4.454 4.480 0.001 0.000 0.337 29 M C 0.721 177.037 176.300 0.025 0.000 1.161 29 M CA 0.281 55.464 55.300 -0.195 0.000 1.088 29 M CB 0.418 32.584 32.600 -0.724 0.000 1.639 29 M HN 0.032 nan 8.290 nan 0.000 0.447 30 T N 0.444 115.019 114.554 0.035 0.000 2.813 30 T HA 0.155 4.506 4.350 0.001 0.000 0.297 30 T C -2.011 172.836 174.700 0.245 0.000 1.036 30 T CA -1.486 60.685 62.100 0.118 0.000 1.044 30 T CB 0.220 69.119 68.868 0.052 0.000 0.993 30 T HN 0.416 nan 8.240 nan 0.000 0.535 31 P HA -0.145 nan 4.420 nan 0.000 0.216 31 P C 1.712 179.195 177.300 0.304 0.000 1.157 31 P CA 1.203 64.472 63.100 0.283 0.000 0.880 31 P CB 0.034 31.838 31.700 0.174 0.000 0.791 32 R N -0.240 120.385 120.500 0.208 0.000 2.075 32 R HA -0.129 4.212 4.340 0.001 0.000 0.232 32 R C 2.338 178.755 176.300 0.195 0.000 1.126 32 R CA 1.439 57.670 56.100 0.219 0.000 0.963 32 R CB -0.456 29.910 30.300 0.110 0.000 0.858 32 R HN 0.209 nan 8.270 nan 0.000 0.435 33 Q N -1.050 118.779 119.800 0.049 0.000 2.181 33 Q HA -0.220 4.121 4.340 0.001 0.000 0.205 33 Q C 1.653 177.697 176.000 0.074 0.000 0.980 33 Q CA 1.757 57.517 55.803 -0.072 0.000 0.862 33 Q CB -0.133 28.483 28.738 -0.203 0.000 0.905 33 Q HN 0.472 nan 8.270 nan 0.000 0.429 34 W N -0.375 120.996 121.300 0.119 0.000 2.354 34 W HA -0.222 4.439 4.660 0.001 0.000 0.315 34 W C 2.086 178.667 176.519 0.105 0.000 1.206 34 W CA 0.817 58.227 57.345 0.108 0.000 1.290 34 W CB -0.438 29.084 29.460 0.104 0.000 1.152 34 W HN 0.321 nan 8.180 nan 0.000 0.489 35 W N 0.575 122.055 121.300 0.300 0.000 2.355 35 W HA -0.206 4.455 4.660 0.001 0.000 0.309 35 W C 1.904 178.502 176.519 0.131 0.000 1.206 35 W CA 1.966 59.435 57.345 0.206 0.000 1.284 35 W CB -0.855 28.704 29.460 0.165 0.000 1.145 35 W HN -0.204 nan 8.180 nan 0.000 0.502 36 L N 0.700 121.748 121.223 -0.292 0.000 2.083 36 L HA -0.181 4.160 4.340 0.001 0.000 0.209 36 L C 2.742 179.406 176.870 -0.343 0.000 1.083 36 L CA 1.541 56.063 54.840 -0.530 0.000 0.752 36 L CB -1.285 40.678 42.059 -0.159 0.000 0.899 36 L HN 0.147 nan 8.230 nan 0.000 0.433 37 A N -0.350 122.399 122.820 -0.117 0.000 1.872 37 A HA -0.147 4.174 4.320 0.001 0.000 0.214 37 A C 2.376 179.849 177.584 -0.185 0.000 1.187 37 A CA 1.621 53.578 52.037 -0.133 0.000 0.614 37 A CB -0.884 18.041 19.000 -0.125 0.000 0.826 37 A HN 0.273 nan 8.150 nan 0.000 0.442 38 V N -1.033 118.842 119.914 -0.064 0.000 2.427 38 V HA -0.137 3.984 4.120 0.001 0.000 0.248 38 V C 2.123 178.160 176.094 -0.095 0.000 1.051 38 V CA 2.855 65.181 62.300 0.044 0.000 1.048 38 V CB -0.745 31.273 31.823 0.325 0.000 0.666 38 V HN 0.408 nan 8.190 nan 0.000 0.456 39 S N 0.214 115.685 115.700 -0.383 0.000 2.356 39 S HA -0.159 4.312 4.470 0.001 0.000 0.223 39 S C 1.918 176.011 174.600 -0.844 0.000 1.032 39 S CA 1.798 59.601 58.200 -0.661 0.000 1.005 39 S CB -0.433 62.165 63.200 -1.003 0.000 0.867 39 S HN 0.756 nan 8.310 nan 0.000 0.449 40 E N 1.294 121.110 120.200 -0.640 0.000 2.110 40 E HA -0.103 4.248 4.350 0.001 0.000 0.193 40 E C 2.403 178.786 176.600 -0.362 0.000 0.988 40 E CA 1.007 57.106 56.400 -0.502 0.000 0.804 40 E CB -0.291 29.196 29.700 -0.355 0.000 0.745 40 E HN 0.496 nan 8.360 nan 0.000 0.458 41 A N 1.292 123.942 122.820 -0.283 0.000 1.908 41 A HA -0.167 4.153 4.320 0.001 0.000 0.218 41 A C 2.256 179.819 177.584 -0.036 0.000 1.181 41 A CA 1.148 53.072 52.037 -0.189 0.000 0.627 41 A CB -0.619 18.222 19.000 -0.266 0.000 0.818 41 A HN 0.137 nan 8.150 nan 0.000 0.445 42 L N -1.058 120.165 121.223 0.000 0.000 2.109 42 L HA -0.094 4.246 4.340 0.001 0.000 0.207 42 L C 3.066 179.971 176.870 0.058 0.000 1.086 42 L CA 0.821 55.777 54.840 0.193 0.000 0.760 42 L CB -0.524 41.737 42.059 0.337 0.000 0.910 42 L HN 0.413 nan 8.230 nan 0.000 0.437 43 A N -0.072 122.522 122.820 -0.376 0.000 1.908 43 A HA -0.245 4.076 4.320 0.001 0.000 0.218 43 A C 2.205 179.776 177.584 -0.022 0.000 1.181 43 A CA 1.731 53.631 52.037 -0.227 0.000 0.627 43 A CB -0.461 18.255 19.000 -0.474 0.000 0.818 43 A HN 0.419 nan 8.150 nan 0.000 0.445 44 E N -0.888 119.270 120.200 -0.070 0.000 2.085 44 E HA -0.208 4.143 4.350 0.001 0.000 0.194 44 E C 2.099 178.727 176.600 0.046 0.000 0.994 44 E CA 1.629 58.011 56.400 -0.030 0.000 0.801 44 E CB -0.209 29.441 29.700 -0.083 0.000 0.743 44 E HN 0.691 nan 8.360 nan 0.000 0.453 45 M N -0.057 119.614 119.600 0.118 0.000 2.200 45 M HA -0.132 4.348 4.480 0.001 0.000 0.265 45 M C 2.334 178.800 176.300 0.276 0.000 1.066 45 M CA 0.674 56.101 55.300 0.210 0.000 1.127 45 M CB -0.118 32.681 32.600 0.332 0.000 1.379 45 M HN 0.136 nan 8.290 nan 0.000 0.420 46 L N 0.703 122.087 121.223 0.267 0.000 2.012 46 L HA -0.175 4.166 4.340 0.001 0.000 0.210 46 L C 2.266 179.215 176.870 0.132 0.000 1.073 46 L CA 1.974 56.923 54.840 0.182 0.000 0.748 46 L CB -0.432 41.745 42.059 0.196 0.000 0.891 46 L HN 0.155 nan 8.230 nan 0.000 0.431 47 R N -0.836 119.731 120.500 0.112 0.000 2.276 47 R HA 0.119 4.460 4.340 0.001 0.000 0.203 47 R C 1.876 178.215 176.300 0.065 0.000 1.017 47 R CA 0.653 56.801 56.100 0.080 0.000 1.010 47 R CB -0.298 30.036 30.300 0.056 0.000 0.900 47 R HN 0.464 nan 8.270 nan 0.000 0.469 48 A N 0.652 123.516 122.820 0.073 0.000 2.238 48 A HA 0.024 4.345 4.320 0.001 0.000 0.208 48 A C 0.475 178.103 177.584 0.073 0.000 1.177 48 A CA 0.206 52.276 52.037 0.056 0.000 0.804 48 A CB 0.193 19.219 19.000 0.044 0.000 0.823 48 A HN 0.071 nan 8.150 nan 0.000 0.482 49 Q N 1.182 121.041 119.800 0.099 0.000 2.340 49 Q HA 0.309 4.649 4.340 0.001 0.000 0.249 49 Q C -2.273 173.783 176.000 0.094 0.000 0.957 49 Q CA -1.847 54.018 55.803 0.104 0.000 0.882 49 Q CB 0.094 28.897 28.738 0.109 0.000 1.235 49 Q HN 0.316 nan 8.270 nan 0.000 0.439 50 P HA 0.015 nan 4.420 nan 0.000 0.269 50 P C -0.505 176.871 177.300 0.126 0.000 1.209 50 P CA -0.234 62.925 63.100 0.099 0.000 0.776 50 P CB 0.303 32.044 31.700 0.068 0.000 0.876 51 F N 2.574 122.526 119.950 0.003 0.000 2.533 51 F HA 0.321 4.848 4.527 0.001 0.000 0.378 51 F C 0.139 175.938 175.800 -0.002 0.000 1.070 51 F CA -0.671 57.328 58.000 -0.001 0.000 1.172 51 F CB -0.011 38.987 39.000 -0.004 0.000 1.085 51 F HN 0.413 nan 8.300 nan 0.000 0.552 52 A N 7.612 130.143 122.820 -0.481 0.000 2.269 52 A HA 0.411 4.732 4.320 0.001 0.000 0.302 52 A C -0.341 176.731 177.584 -0.853 0.000 1.266 52 A CA -0.916 50.829 52.037 -0.487 0.000 0.894 52 A CB -0.072 18.765 19.000 -0.271 0.000 1.147 52 A HN 0.793 nan 8.150 nan 0.000 0.537 53 K N 3.950 123.945 120.400 -0.675 0.000 2.326 53 K HA 0.481 4.802 4.320 0.001 0.000 0.275 53 K C -2.385 174.048 176.600 -0.279 0.000 1.018 53 K CA -1.196 54.752 56.287 -0.565 0.000 0.962 53 K CB 0.254 32.651 32.500 -0.171 0.000 0.953 53 K HN 0.478 nan 8.250 nan 0.000 0.475 54 P HA 0.041 nan 4.420 nan 0.000 0.279 54 P C -0.427 176.859 177.300 -0.024 0.000 1.282 54 P CA -0.703 62.357 63.100 -0.066 0.000 0.788 54 P CB 0.454 32.152 31.700 -0.004 0.000 1.139 55 V N 0.264 120.173 119.914 -0.008 0.000 2.655 55 V HA 0.219 4.339 4.120 0.001 0.000 0.300 55 V C 1.109 177.218 176.094 0.026 0.000 1.044 55 V CA -0.035 62.268 62.300 0.005 0.000 1.095 55 V CB -0.037 31.791 31.823 0.007 0.000 0.952 55 V HN 0.788 nan 8.190 nan 0.000 0.485 56 A N 3.914 126.749 122.820 0.025 0.000 2.366 56 A HA 0.367 4.688 4.320 0.001 0.000 0.249 56 A C 0.814 178.421 177.584 0.037 0.000 1.084 56 A CA -0.016 52.044 52.037 0.038 0.000 0.794 56 A CB -0.505 18.514 19.000 0.031 0.000 1.034 56 A HN 1.107 nan 8.150 nan 0.000 0.491 57 N N -0.362 118.366 118.700 0.046 0.000 2.707 57 N HA -0.193 4.548 4.740 0.001 0.000 0.253 57 N C -0.650 174.870 175.510 0.017 0.000 0.998 57 N CA 1.138 54.206 53.050 0.029 0.000 0.751 57 N CB -1.067 37.427 38.487 0.012 0.000 0.920 57 N HN 0.771 nan 8.380 nan 0.000 0.539 58 Q N -0.134 119.689 119.800 0.039 0.000 2.433 58 Q HA 0.466 4.806 4.340 0.001 0.000 0.279 58 Q C -0.300 175.731 176.000 0.052 0.000 1.105 58 Q CA -1.088 54.736 55.803 0.035 0.000 0.815 58 Q CB 1.853 30.621 28.738 0.049 0.000 1.403 58 Q HN 0.169 nan 8.270 nan 0.000 0.435 59 R N 0.837 121.359 120.500 0.037 0.000 2.640 59 R HA -0.001 4.340 4.340 0.001 0.000 0.270 59 R C -0.187 176.163 176.300 0.084 0.000 1.024 59 R CA 0.076 56.215 56.100 0.065 0.000 1.085 59 R CB 0.031 30.353 30.300 0.037 0.000 0.963 59 R HN 0.552 nan 8.270 nan 0.000 0.426 60 H N 1.264 120.353 119.070 0.032 0.000 2.683 60 H HA 0.162 4.718 4.556 0.001 0.000 0.339 60 H C -0.690 174.588 175.328 -0.083 0.000 1.081 60 H CA -0.222 55.824 56.048 -0.004 0.000 1.432 60 H CB 0.779 30.566 29.762 0.041 0.000 1.462 60 H HN 0.176 nan 8.280 nan 0.000 0.557 61 V N 6.280 125.889 119.914 -0.509 0.000 2.383 61 V HA 0.140 4.261 4.120 0.001 0.000 0.275 61 V C -0.136 175.775 176.094 -0.305 0.000 1.036 61 V CA -0.805 61.176 62.300 -0.531 0.000 0.889 61 V CB 0.982 32.246 31.823 -0.931 0.000 0.985 61 V HN 0.840 nan 8.190 nan 0.000 0.459 62 N N 4.173 122.837 118.700 -0.060 0.000 2.501 62 N HA 0.258 4.999 4.740 0.001 0.000 0.245 62 N C -1.212 174.435 175.510 0.228 0.000 0.974 62 N CA -0.305 52.867 53.050 0.203 0.000 0.941 62 N CB 1.723 40.406 38.487 0.327 0.000 1.122 62 N HN 0.703 nan 8.380 nan 0.000 0.507 63 Y N 3.355 123.740 120.300 0.141 0.000 2.434 63 Y HA 0.414 4.965 4.550 0.001 0.000 0.341 63 Y C -0.257 175.881 175.900 0.397 0.000 0.965 63 Y CA -0.651 57.576 58.100 0.212 0.000 1.205 63 Y CB 0.510 39.075 38.460 0.176 0.000 1.121 63 Y HN 0.381 nan 8.280 nan 0.000 0.507 64 I N 5.449 126.087 120.570 0.113 0.000 2.312 64 I HA 0.325 4.496 4.170 0.001 0.000 0.290 64 I C -0.231 175.959 176.117 0.122 0.000 1.008 64 I CA -0.402 61.055 61.300 0.262 0.000 1.226 64 I CB 1.168 39.304 38.000 0.226 0.000 1.371 64 I HN 0.479 nan 8.210 nan 0.000 0.468 65 S N 5.981 121.821 115.700 0.234 0.000 2.540 65 S HA 0.449 4.920 4.470 0.001 0.000 0.275 65 S C 0.584 175.258 174.600 0.123 0.000 1.123 65 S CA -0.717 57.496 58.200 0.023 0.000 0.907 65 S CB 1.969 64.941 63.200 -0.381 0.000 1.081 65 S HN 0.641 nan 8.310 nan 0.000 0.476 66 M N 2.127 121.801 119.600 0.124 0.000 2.476 66 M HA 0.053 4.534 4.480 0.001 0.000 0.262 66 M C 0.250 176.599 176.300 0.082 0.000 1.079 66 M CA 1.065 56.438 55.300 0.121 0.000 1.104 66 M CB -0.480 32.105 32.600 -0.025 0.000 1.409 66 M HN 0.746 nan 8.290 nan 0.000 0.467 67 E N -0.840 119.319 120.200 -0.069 0.000 2.314 67 E HA 0.473 4.823 4.350 0.001 0.000 0.272 67 E C -1.407 174.985 176.600 -0.348 0.000 0.884 67 E CA -0.687 55.662 56.400 -0.086 0.000 0.753 67 E CB 1.397 31.026 29.700 -0.118 0.000 1.213 67 E HN -0.017 nan 8.360 nan 0.000 0.432 68 F N 2.157 122.133 119.950 0.045 0.000 2.810 68 F HA 0.254 4.781 4.527 0.001 0.000 0.373 68 F C -0.704 175.065 175.800 -0.051 0.000 1.174 68 F CA -0.818 57.191 58.000 0.014 0.000 1.141 68 F CB 1.496 40.508 39.000 0.020 0.000 1.420 68 F HN 0.414 nan 8.300 nan 0.000 0.518 69 L N 5.540 126.790 121.223 0.044 0.000 2.423 69 L HA 0.325 4.665 4.340 0.001 0.000 0.249 69 L C 1.170 178.039 176.870 -0.002 0.000 1.276 69 L CA 0.335 55.165 54.840 -0.018 0.000 1.199 69 L CB -0.526 41.514 42.059 -0.031 0.000 1.407 69 L HN 0.645 nan 8.230 nan 0.000 0.410 70 I N -0.263 120.289 120.570 -0.031 0.000 2.500 70 I HA 0.375 4.546 4.170 0.001 0.000 0.252 70 I C 1.275 177.339 176.117 -0.089 0.000 1.142 70 I CA 0.435 61.708 61.300 -0.045 0.000 1.451 70 I CB -0.873 37.081 38.000 -0.076 0.000 1.093 70 I HN 0.553 nan 8.210 nan 0.000 0.430 71 G N 1.673 110.402 108.800 -0.117 0.000 2.828 71 G HA2 -0.230 3.731 3.960 0.001 0.000 0.463 71 G HA3 -0.230 3.731 3.960 0.001 0.000 0.463 71 G C -0.385 174.460 174.900 -0.093 0.000 1.394 71 G CA -0.384 44.646 45.100 -0.116 0.000 0.862 71 G HN 0.585 nan 8.290 nan 0.000 0.540 72 R N -0.599 119.867 120.500 -0.057 0.000 2.583 72 R HA 0.199 4.540 4.340 0.001 0.000 0.274 72 R C 0.916 177.225 176.300 0.014 0.000 0.998 72 R CA -0.166 55.952 56.100 0.030 0.000 1.081 72 R CB 0.184 30.501 30.300 0.029 0.000 0.940 72 R HN 0.323 nan 8.270 nan 0.000 0.413 73 L N 2.235 123.509 121.223 0.084 0.000 2.470 73 L HA 0.030 4.370 4.340 0.001 0.000 0.219 73 L C 1.995 178.784 176.870 -0.134 0.000 1.071 73 L CA 1.396 56.164 54.840 -0.121 0.000 0.850 73 L CB -0.417 41.456 42.059 -0.311 0.000 1.040 73 L HN 0.690 nan 8.230 nan 0.000 0.475 74 T N -0.427 114.253 114.554 0.210 0.000 2.652 74 T HA -0.150 4.200 4.350 0.001 0.000 0.267 74 T C 1.786 176.624 174.700 0.230 0.000 1.039 74 T CA 1.636 63.971 62.100 0.392 0.000 1.153 74 T CB -0.562 68.734 68.868 0.713 0.000 0.863 74 T HN 0.463 nan 8.240 nan 0.000 0.428 75 G N 1.139 110.069 108.800 0.216 0.000 2.418 75 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 75 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 75 G C 1.493 176.481 174.900 0.147 0.000 1.158 75 G CA 1.273 46.518 45.100 0.242 0.000 0.771 75 G HN 0.577 nan 8.290 nan 0.000 0.545 76 N N 0.875 119.584 118.700 0.015 0.000 2.120 76 N HA -0.130 4.610 4.740 0.001 0.000 0.188 76 N C 2.001 177.457 175.510 -0.089 0.000 1.024 76 N CA 1.742 54.752 53.050 -0.068 0.000 0.852 76 N CB -0.205 38.199 38.487 -0.138 0.000 1.003 76 N HN 0.174 nan 8.380 nan 0.000 0.424 77 N N 0.181 118.789 118.700 -0.154 0.000 2.171 77 N HA -0.032 4.709 4.740 0.001 0.000 0.184 77 N C 1.630 177.068 175.510 -0.119 0.000 1.021 77 N CA 0.615 53.526 53.050 -0.232 0.000 0.854 77 N CB -0.380 37.809 38.487 -0.496 0.000 0.994 77 N HN 0.289 nan 8.380 nan 0.000 0.426 78 L N 0.642 121.884 121.223 0.032 0.000 1.990 78 L HA -0.199 4.142 4.340 0.001 0.000 0.213 78 L C 2.340 179.268 176.870 0.097 0.000 1.072 78 L CA 1.180 56.092 54.840 0.120 0.000 0.755 78 L CB -0.560 41.628 42.059 0.216 0.000 0.889 78 L HN 0.210 nan 8.230 nan 0.000 0.432 79 L N -0.384 120.911 121.223 0.120 0.000 2.083 79 L HA -0.208 4.133 4.340 0.001 0.000 0.209 79 L C 2.191 179.052 176.870 -0.016 0.000 1.083 79 L CA 1.513 56.390 54.840 0.061 0.000 0.752 79 L CB -0.283 41.789 42.059 0.021 0.000 0.899 79 L HN 0.297 nan 8.230 nan 0.000 0.433 80 N N -0.070 118.598 118.700 -0.053 0.000 2.270 80 N HA -0.087 4.654 4.740 0.001 0.000 0.181 80 N C 1.748 177.094 175.510 -0.275 0.000 1.016 80 N CA 1.196 54.195 53.050 -0.084 0.000 0.870 80 N CB -0.224 38.230 38.487 -0.055 0.000 0.979 80 N HN 0.357 nan 8.380 nan 0.000 0.431 81 L N -0.854 120.176 121.223 -0.322 0.000 2.395 81 L HA 0.137 4.478 4.340 0.001 0.000 0.218 81 L C 0.988 177.650 176.870 -0.345 0.000 1.130 81 L CA 0.430 54.953 54.840 -0.529 0.000 0.826 81 L CB -0.402 41.028 42.059 -1.049 0.000 0.941 81 L HN 0.204 nan 8.230 nan 0.000 0.451 82 G N -1.223 107.489 108.800 -0.147 0.000 2.256 82 G HA2 -0.246 3.715 3.960 0.001 0.000 0.272 82 G HA3 -0.246 3.715 3.960 0.001 0.000 0.272 82 G C -0.028 175.049 174.900 0.295 0.000 1.076 82 G CA 0.055 45.171 45.100 0.028 0.000 0.882 82 G HN 0.368 nan 8.290 nan 0.000 0.497 83 W N -1.594 119.667 121.300 -0.065 0.000 2.871 83 W HA 0.362 5.023 4.660 0.001 0.000 0.340 83 W C 1.664 178.037 176.519 -0.244 0.000 1.058 83 W CA -0.717 56.514 57.345 -0.189 0.000 1.633 83 W CB -0.812 28.586 29.460 -0.104 0.000 1.067 83 W HN 0.348 nan 8.180 nan 0.000 0.554 84 Y N 2.107 122.420 120.300 0.023 0.000 2.053 84 Y HA -0.390 4.161 4.550 0.001 0.000 0.277 84 Y C 2.753 178.581 175.900 -0.120 0.000 1.159 84 Y CA 3.125 61.202 58.100 -0.038 0.000 1.125 84 Y CB -0.583 37.868 38.460 -0.014 0.000 0.969 84 Y HN 0.013 nan 8.280 nan 0.000 0.492 85 Q N 0.231 120.105 119.800 0.123 0.000 2.119 85 Q HA -0.169 4.171 4.340 0.001 0.000 0.201 85 Q C 1.738 177.626 176.000 -0.187 0.000 0.972 85 Q CA 2.070 57.886 55.803 0.022 0.000 0.847 85 Q CB -0.331 28.435 28.738 0.047 0.000 0.903 85 Q HN 0.470 nan 8.270 nan 0.000 0.433 86 D N -0.623 119.565 120.400 -0.354 0.000 2.123 86 D HA -0.147 4.494 4.640 0.001 0.000 0.196 86 D C 1.853 177.654 176.300 -0.833 0.000 0.992 86 D CA 1.518 55.122 54.000 -0.661 0.000 0.833 86 D CB -0.088 39.983 40.800 -1.215 0.000 0.954 86 D HN 0.199 nan 8.370 nan 0.000 0.455 87 V N 0.756 120.143 119.914 -0.878 0.000 2.358 87 V HA -0.227 3.894 4.120 0.001 0.000 0.246 87 V C 2.609 178.461 176.094 -0.404 0.000 1.047 87 V CA 1.520 63.385 62.300 -0.724 0.000 1.035 87 V CB -0.512 30.964 31.823 -0.577 0.000 0.658 87 V HN 0.180 nan 8.190 nan 0.000 0.452 88 Q N -0.274 119.322 119.800 -0.340 0.000 2.135 88 Q HA -0.265 4.076 4.340 0.001 0.000 0.204 88 Q C 1.842 177.779 176.000 -0.106 0.000 0.981 88 Q CA 2.082 57.768 55.803 -0.196 0.000 0.856 88 Q CB -0.060 28.595 28.738 -0.139 0.000 0.902 88 Q HN 0.637 nan 8.270 nan 0.000 0.425 89 D N -0.675 119.654 120.400 -0.118 0.000 2.123 89 D HA -0.065 4.576 4.640 0.001 0.000 0.200 89 D C 1.962 178.268 176.300 0.010 0.000 0.976 89 D CA 1.055 55.025 54.000 -0.050 0.000 0.831 89 D CB -0.206 40.560 40.800 -0.057 0.000 0.974 89 D HN 0.109 nan 8.370 nan 0.000 0.469 90 S N 0.208 115.912 115.700 0.006 0.000 2.399 90 S HA -0.036 4.435 4.470 0.001 0.000 0.231 90 S C 1.953 176.742 174.600 0.315 0.000 1.022 90 S CA 0.524 58.832 58.200 0.180 0.000 0.983 90 S CB -0.055 63.274 63.200 0.216 0.000 0.803 90 S HN 0.252 nan 8.310 nan 0.000 0.480 91 L N 0.629 121.978 121.223 0.209 0.000 2.558 91 L HA 0.138 4.479 4.340 0.001 0.000 0.225 91 L C 2.266 179.234 176.870 0.162 0.000 1.128 91 L CA 0.347 55.344 54.840 0.262 0.000 0.868 91 L CB -0.205 41.899 42.059 0.076 0.000 1.006 91 L HN 0.171 nan 8.230 nan 0.000 0.454 92 K N 0.899 121.354 120.400 0.092 0.000 2.032 92 K HA -0.184 4.136 4.320 0.001 0.000 0.209 92 K C 2.119 178.738 176.600 0.032 0.000 1.048 92 K CA 1.597 57.906 56.287 0.037 0.000 0.927 92 K CB -0.065 32.446 32.500 0.017 0.000 0.712 92 K HN 0.321 nan 8.250 nan 0.000 0.441 93 A N -0.075 122.759 122.820 0.024 0.000 2.067 93 A HA -0.135 4.186 4.320 0.001 0.000 0.219 93 A C 1.292 178.772 177.584 -0.173 0.000 1.158 93 A CA 1.089 53.065 52.037 -0.102 0.000 0.661 93 A CB -0.429 18.453 19.000 -0.196 0.000 0.801 93 A HN 0.362 nan 8.150 nan 0.000 0.452 94 Y N -0.217 120.105 120.300 0.038 0.000 2.457 94 Y HA 0.140 4.691 4.550 0.001 0.000 0.263 94 Y C 0.009 175.866 175.900 -0.071 0.000 1.164 94 Y CA -0.160 57.961 58.100 0.035 0.000 1.274 94 Y CB 0.269 38.797 38.460 0.114 0.000 1.097 94 Y HN 0.312 nan 8.280 nan 0.000 0.523 95 D N 0.658 121.081 120.400 0.038 0.000 2.775 95 D HA -0.157 4.484 4.640 0.001 0.000 0.235 95 D C -0.839 175.389 176.300 -0.120 0.000 1.120 95 D CA 0.613 54.596 54.000 -0.028 0.000 0.708 95 D CB -1.107 39.686 40.800 -0.011 0.000 1.084 95 D HN 0.177 nan 8.370 nan 0.000 0.434 96 I N 1.065 121.536 120.570 -0.165 0.000 2.418 96 I HA 0.179 4.349 4.170 0.001 0.000 0.287 96 I C 0.660 176.691 176.117 -0.143 0.000 1.008 96 I CA -0.734 60.399 61.300 -0.278 0.000 1.104 96 I CB 1.520 39.176 38.000 -0.573 0.000 1.264 96 I HN -0.112 nan 8.210 nan 0.000 0.438 97 N N 4.488 123.124 118.700 -0.106 0.000 2.411 97 N HA 0.112 4.853 4.740 0.001 0.000 0.259 97 N C 0.996 176.481 175.510 -0.042 0.000 1.103 97 N CA -0.361 52.658 53.050 -0.051 0.000 0.954 97 N CB 0.916 39.388 38.487 -0.024 0.000 1.085 97 N HN 0.554 nan 8.380 nan 0.000 0.485 98 L N 3.680 124.879 121.223 -0.040 0.000 2.046 98 L HA -0.091 4.249 4.340 0.001 0.000 0.208 98 L C 1.859 178.747 176.870 0.031 0.000 1.077 98 L CA 1.884 56.697 54.840 -0.045 0.000 0.747 98 L CB -1.018 40.941 42.059 -0.168 0.000 0.896 98 L HN 0.655 nan 8.230 nan 0.000 0.432 99 T N -0.066 114.532 114.554 0.073 0.000 2.653 99 T HA -0.215 4.135 4.350 0.001 0.000 0.268 99 T C 1.464 176.213 174.700 0.082 0.000 1.035 99 T CA 1.955 64.122 62.100 0.111 0.000 1.154 99 T CB -0.340 68.590 68.868 0.104 0.000 0.862 99 T HN 0.493 nan 8.240 nan 0.000 0.441 100 D N 0.471 120.905 120.400 0.056 0.000 2.162 100 D HA 0.009 4.650 4.640 0.001 0.000 0.203 100 D C 2.080 178.422 176.300 0.071 0.000 0.967 100 D CA 0.398 54.431 54.000 0.054 0.000 0.840 100 D CB -0.386 40.434 40.800 0.034 0.000 0.972 100 D HN 0.208 nan 8.370 nan 0.000 0.482 101 L N 1.242 122.513 121.223 0.079 0.000 2.012 101 L HA -0.126 4.215 4.340 0.001 0.000 0.210 101 L C 2.198 179.199 176.870 0.219 0.000 1.073 101 L CA 1.393 56.322 54.840 0.149 0.000 0.748 101 L CB -0.716 41.429 42.059 0.143 0.000 0.891 101 L HN -0.018 nan 8.230 nan 0.000 0.431 102 L N -0.530 120.811 121.223 0.197 0.000 2.127 102 L HA -0.203 4.137 4.340 0.001 0.000 0.211 102 L C 2.435 179.324 176.870 0.031 0.000 1.089 102 L CA 1.130 56.086 54.840 0.192 0.000 0.757 102 L CB -0.783 41.388 42.059 0.187 0.000 0.899 102 L HN 0.378 nan 8.230 nan 0.000 0.434 103 E N -0.023 120.194 120.200 0.029 0.000 2.333 103 E HA -0.180 4.171 4.350 0.001 0.000 0.198 103 E C 1.775 178.334 176.600 -0.069 0.000 1.007 103 E CA 0.535 56.930 56.400 -0.007 0.000 0.845 103 E CB -0.044 29.679 29.700 0.039 0.000 0.766 103 E HN 0.481 nan 8.360 nan 0.000 0.507 104 E N 0.972 121.111 120.200 -0.102 0.000 2.333 104 E HA -0.110 4.241 4.350 0.001 0.000 0.198 104 E C 0.651 176.933 176.600 -0.530 0.000 1.007 104 E CA 0.326 56.616 56.400 -0.185 0.000 0.845 104 E CB -0.137 29.565 29.700 0.004 0.000 0.766 104 E HN 0.381 nan 8.360 nan 0.000 0.507 105 E N 1.000 120.745 120.200 -0.759 0.000 2.223 105 E HA 0.110 4.460 4.350 0.001 0.000 0.282 105 E C -0.354 176.063 176.600 -0.305 0.000 1.046 105 E CA -0.230 55.632 56.400 -0.897 0.000 0.857 105 E CB 0.408 29.717 29.700 -0.651 0.000 1.055 105 E HN -0.006 nan 8.360 nan 0.000 0.409 106 I N 4.665 125.134 120.570 -0.168 0.000 2.452 106 I HA -0.016 4.155 4.170 0.001 0.000 0.287 106 I C -0.035 176.104 176.117 0.036 0.000 1.079 106 I CA -0.435 60.867 61.300 0.003 0.000 1.387 106 I CB 0.492 38.554 38.000 0.102 0.000 1.404 106 I HN 0.502 nan 8.210 nan 0.000 0.522 107 D N 9.103 129.485 120.400 -0.030 0.000 2.586 107 D HA 0.021 4.662 4.640 0.001 0.000 0.234 107 D C -2.235 173.921 176.300 -0.239 0.000 1.132 107 D CA -0.574 53.365 54.000 -0.101 0.000 0.860 107 D CB 0.011 40.733 40.800 -0.129 0.000 1.159 107 D HN 0.225 nan 8.370 nan 0.000 0.490 108 P HA 0.016 nan 4.420 nan 0.000 0.258 108 P C -0.724 175.956 177.300 -1.034 0.000 1.172 108 P CA 0.239 62.603 63.100 -1.227 0.000 0.762 108 P CB 0.422 31.434 31.700 -1.146 0.000 0.764 109 A N 4.640 126.635 122.820 -1.374 0.000 3.078 109 A HA 0.237 4.557 4.320 0.001 0.000 0.279 109 A C 0.681 178.019 177.584 -0.411 0.000 1.594 109 A CA -0.047 51.631 52.037 -0.599 0.000 1.301 109 A CB -0.970 17.864 19.000 -0.277 0.000 1.162 109 A HN 0.608 nan 8.150 nan 0.000 0.585 110 L N 0.618 121.642 121.223 -0.332 0.000 2.966 110 L HA 0.372 4.712 4.340 0.001 0.000 0.262 110 L C 0.982 177.842 176.870 -0.016 0.000 1.165 110 L CA 0.268 55.063 54.840 -0.074 0.000 0.978 110 L CB 0.709 42.691 42.059 -0.129 0.000 1.337 110 L HN 0.673 nan 8.230 nan 0.000 0.563 111 G N -1.133 107.589 108.800 -0.130 0.000 2.645 111 G HA2 0.218 4.179 3.960 0.001 0.000 0.292 111 G HA3 0.218 4.179 3.960 0.001 0.000 0.292 111 G C -0.550 174.269 174.900 -0.135 0.000 1.415 111 G CA -0.142 44.884 45.100 -0.124 0.000 0.785 111 G HN -0.171 nan 8.290 nan 0.000 0.483 112 N N -1.921 116.744 118.700 -0.058 0.000 2.663 112 N HA 0.330 5.071 4.740 0.001 0.000 0.250 112 N C 0.903 176.436 175.510 0.039 0.000 1.043 112 N CA 1.433 54.488 53.050 0.008 0.000 0.929 112 N CB 0.904 39.496 38.487 0.176 0.000 1.665 112 N HN 0.954 nan 8.380 nan 0.000 0.484 113 G N -1.309 107.528 108.800 0.060 0.000 3.039 113 G HA2 0.373 4.334 3.960 0.001 0.000 0.202 113 G HA3 0.373 4.334 3.960 0.001 0.000 0.202 113 G C 0.593 175.503 174.900 0.017 0.000 1.151 113 G CA 0.157 45.289 45.100 0.053 0.000 0.836 113 G HN 0.206 nan 8.290 nan 0.000 0.598 114 G N -0.090 108.718 108.800 0.014 0.000 2.450 114 G HA2 -0.052 3.909 3.960 0.001 0.000 0.220 114 G HA3 -0.052 3.909 3.960 0.001 0.000 0.220 114 G C 1.752 176.608 174.900 -0.072 0.000 1.130 114 G CA 1.630 46.715 45.100 -0.024 0.000 0.760 114 G HN 0.592 nan 8.290 nan 0.000 0.557 115 L N 1.396 122.568 121.223 -0.084 0.000 2.027 115 L HA 0.227 4.567 4.340 0.001 0.000 0.206 115 L C 2.720 179.478 176.870 -0.186 0.000 1.074 115 L CA 2.377 57.095 54.840 -0.202 0.000 0.745 115 L CB -1.072 40.858 42.059 -0.214 0.000 0.898 115 L HN 0.119 nan 8.230 nan 0.000 0.433 116 G N -0.682 108.048 108.800 -0.116 0.000 2.459 116 G HA2 -0.360 3.601 3.960 0.001 0.000 0.217 116 G HA3 -0.360 3.601 3.960 0.001 0.000 0.217 116 G C 1.751 176.590 174.900 -0.100 0.000 1.183 116 G CA 0.898 45.919 45.100 -0.132 0.000 0.776 116 G HN 0.371 nan 8.290 nan 0.000 0.552 117 R N 0.231 120.698 120.500 -0.055 0.000 2.092 117 R HA 0.144 4.485 4.340 0.001 0.000 0.231 117 R C 2.441 178.709 176.300 -0.054 0.000 1.119 117 R CA 0.723 56.823 56.100 -0.000 0.000 0.970 117 R CB -0.873 29.445 30.300 0.030 0.000 0.864 117 R HN 0.367 nan 8.270 nan 0.000 0.440 118 L N -0.292 120.832 121.223 -0.165 0.000 2.042 118 L HA -0.145 4.195 4.340 0.001 0.000 0.210 118 L C 1.961 178.526 176.870 -0.509 0.000 1.076 118 L CA 2.055 56.670 54.840 -0.375 0.000 0.749 118 L CB -0.828 40.971 42.059 -0.433 0.000 0.893 118 L HN 0.379 nan 8.230 nan 0.000 0.432 119 A N -0.380 122.259 122.820 -0.302 0.000 1.902 119 A HA -0.174 4.146 4.320 0.001 0.000 0.217 119 A C 2.427 180.030 177.584 0.032 0.000 1.181 119 A CA 1.778 53.709 52.037 -0.176 0.000 0.623 119 A CB -0.676 18.147 19.000 -0.295 0.000 0.818 119 A HN 0.555 nan 8.150 nan 0.000 0.443 120 A N -1.073 121.794 122.820 0.078 0.000 1.873 120 A HA -0.131 4.190 4.320 0.001 0.000 0.215 120 A C 2.316 179.967 177.584 0.112 0.000 1.186 120 A CA 1.554 53.678 52.037 0.145 0.000 0.616 120 A CB -1.292 17.779 19.000 0.118 0.000 0.823 120 A HN 0.583 nan 8.150 nan 0.000 0.442 121 C N -1.313 118.055 119.300 0.113 0.000 2.413 121 C HA -0.122 4.339 4.460 0.001 0.000 0.276 121 C C 2.456 177.610 174.990 0.273 0.000 1.236 121 C CA 0.901 60.033 59.018 0.190 0.000 1.735 121 C CB -1.620 26.250 27.740 0.218 0.000 2.031 121 C HN 0.613 nan 8.230 nan 0.000 0.474 122 F N 1.018 120.961 119.950 -0.013 0.000 2.134 122 F HA -0.063 4.465 4.527 0.001 0.000 0.299 122 F C 2.247 177.987 175.800 -0.099 0.000 1.097 122 F CA 0.989 58.936 58.000 -0.088 0.000 1.264 122 F CB -1.449 37.370 39.000 -0.301 0.000 1.001 122 F HN 0.212 nan 8.300 nan 0.000 0.479 123 L N -0.352 120.934 121.223 0.105 0.000 2.046 123 L HA -0.243 4.097 4.340 0.001 0.000 0.208 123 L C 2.422 179.300 176.870 0.013 0.000 1.077 123 L CA 1.907 56.762 54.840 0.025 0.000 0.747 123 L CB -0.756 41.318 42.059 0.025 0.000 0.896 123 L HN 0.176 nan 8.230 nan 0.000 0.432 124 D N -0.256 120.168 120.400 0.040 0.000 2.117 124 D HA -0.165 4.475 4.640 0.001 0.000 0.197 124 D C 2.043 178.359 176.300 0.026 0.000 0.987 124 D CA 1.603 55.614 54.000 0.018 0.000 0.829 124 D CB 0.330 41.143 40.800 0.021 0.000 0.961 124 D HN 0.232 nan 8.370 nan 0.000 0.460 125 S N -0.052 115.682 115.700 0.057 0.000 2.368 125 S HA -0.067 4.403 4.470 0.001 0.000 0.224 125 S C 2.161 176.770 174.600 0.016 0.000 1.029 125 S CA 0.751 58.977 58.200 0.044 0.000 0.988 125 S CB -0.107 63.135 63.200 0.070 0.000 0.838 125 S HN 0.337 nan 8.310 nan 0.000 0.462 126 M N 1.178 120.779 119.600 0.003 0.000 2.080 126 M HA -0.142 4.339 4.480 0.001 0.000 0.260 126 M C 2.537 178.818 176.300 -0.031 0.000 1.068 126 M CA 1.554 56.841 55.300 -0.022 0.000 1.109 126 M CB -0.681 31.878 32.600 -0.068 0.000 1.342 126 M HN 0.403 nan 8.290 nan 0.000 0.405 127 A N -0.139 122.661 122.820 -0.033 0.000 1.908 127 A HA -0.170 4.151 4.320 0.001 0.000 0.218 127 A C 2.195 179.765 177.584 -0.024 0.000 1.181 127 A CA 2.376 54.390 52.037 -0.037 0.000 0.627 127 A CB -1.172 17.803 19.000 -0.042 0.000 0.818 127 A HN 0.468 nan 8.150 nan 0.000 0.445 128 T N -0.481 114.072 114.554 -0.002 0.000 2.821 128 T HA -0.055 4.295 4.350 0.001 0.000 0.267 128 T C 1.671 176.378 174.700 0.012 0.000 1.046 128 T CA 1.750 63.863 62.100 0.021 0.000 1.139 128 T CB -0.349 68.541 68.868 0.038 0.000 0.871 128 T HN 0.672 nan 8.240 nan 0.000 0.454 129 V N -1.119 118.799 119.914 0.006 0.000 3.596 129 V HA 0.592 4.712 4.120 0.001 0.000 0.289 129 V C 1.322 177.414 176.094 -0.004 0.000 1.336 129 V CA 0.169 62.473 62.300 0.005 0.000 1.137 129 V CB -0.841 30.990 31.823 0.014 0.000 0.966 129 V HN 0.494 nan 8.190 nan 0.000 0.428 130 G N 0.866 109.655 108.800 -0.019 0.000 2.198 130 G HA2 -0.320 3.640 3.960 0.001 0.000 0.257 130 G HA3 -0.320 3.640 3.960 0.001 0.000 0.257 130 G C 0.042 174.931 174.900 -0.019 0.000 1.042 130 G CA 0.539 45.621 45.100 -0.030 0.000 0.791 130 G HN 0.933 nan 8.290 nan 0.000 0.502 131 Q N 1.047 120.835 119.800 -0.020 0.000 2.344 131 Q HA 0.558 4.899 4.340 0.001 0.000 0.253 131 Q C 0.684 176.629 176.000 -0.091 0.000 1.050 131 Q CA 0.247 56.032 55.803 -0.031 0.000 0.912 131 Q CB 0.589 29.323 28.738 -0.005 0.000 1.258 131 Q HN 0.476 nan 8.270 nan 0.000 0.443 132 S N 3.151 118.808 115.700 -0.073 0.000 2.575 132 S HA 0.469 4.940 4.470 0.001 0.000 0.295 132 S C -0.842 173.483 174.600 -0.459 0.000 1.267 132 S CA 0.502 58.649 58.200 -0.089 0.000 1.074 132 S CB -0.415 62.852 63.200 0.112 0.000 0.829 132 S HN 0.769 nan 8.310 nan 0.000 0.497 133 A N 4.371 126.894 122.820 -0.494 0.000 2.594 133 A HA 0.631 4.952 4.320 0.001 0.000 0.296 133 A C -0.621 176.805 177.584 -0.263 0.000 1.061 133 A CA -0.813 50.849 52.037 -0.624 0.000 0.689 133 A CB 1.566 20.339 19.000 -0.377 0.000 1.280 133 A HN 0.650 nan 8.150 nan 0.000 0.406 134 T N 1.276 115.734 114.554 -0.159 0.000 2.792 134 T HA 0.640 4.990 4.350 0.001 0.000 0.280 134 T C 0.424 174.982 174.700 -0.236 0.000 0.990 134 T CA 0.129 62.117 62.100 -0.186 0.000 0.960 134 T CB 1.663 70.397 68.868 -0.223 0.000 0.939 134 T HN 1.259 nan 8.240 nan 0.000 0.439 135 G N 1.487 110.120 108.800 -0.278 0.000 2.444 135 G HA2 0.526 4.487 3.960 0.001 0.000 0.268 135 G HA3 0.526 4.487 3.960 0.001 0.000 0.268 135 G C -1.477 173.207 174.900 -0.360 0.000 1.203 135 G CA -0.229 44.767 45.100 -0.173 0.000 0.835 135 G HN 0.619 nan 8.290 nan 0.000 0.543 136 Y N 0.590 121.003 120.300 0.188 0.000 2.326 136 Y HA 0.583 5.134 4.550 0.001 0.000 0.329 136 Y C 0.730 176.855 175.900 0.376 0.000 0.973 136 Y CA -0.172 58.037 58.100 0.182 0.000 1.162 136 Y CB 2.321 40.957 38.460 0.294 0.000 1.147 136 Y HN 0.841 nan 8.280 nan 0.000 0.456 137 G N 2.270 111.288 108.800 0.364 0.000 3.166 137 G HA2 0.719 4.680 3.960 0.001 0.000 0.267 137 G HA3 0.719 4.680 3.960 0.001 0.000 0.267 137 G C -1.755 173.312 174.900 0.277 0.000 1.256 137 G CA -0.947 44.426 45.100 0.455 0.000 0.859 137 G HN 0.399 nan 8.290 nan 0.000 0.590 138 L N 0.532 121.818 121.223 0.104 0.000 2.346 138 L HA 0.410 4.751 4.340 0.001 0.000 0.276 138 L C -0.217 176.470 176.870 -0.305 0.000 1.006 138 L CA -0.629 54.131 54.840 -0.132 0.000 0.817 138 L CB 2.214 43.988 42.059 -0.476 0.000 1.272 138 L HN 0.595 nan 8.230 nan 0.000 0.421 139 N N 2.480 121.108 118.700 -0.120 0.000 2.968 139 N HA 0.145 4.886 4.740 0.001 0.000 0.271 139 N C -1.086 174.412 175.510 -0.021 0.000 1.174 139 N CA -0.533 52.512 53.050 -0.008 0.000 1.096 139 N CB 0.215 38.706 38.487 0.007 0.000 1.403 139 N HN 0.345 nan 8.380 nan 0.000 0.522 140 Y N 1.212 121.640 120.300 0.214 0.000 2.632 140 Y HA -0.085 4.465 4.550 0.001 0.000 0.329 140 Y C 1.795 177.832 175.900 0.229 0.000 1.174 140 Y CA 0.147 58.351 58.100 0.172 0.000 1.469 140 Y CB 0.567 39.101 38.460 0.124 0.000 1.242 140 Y HN 0.474 nan 8.280 nan 0.000 0.540 141 Q N 1.959 121.834 119.800 0.125 0.000 2.124 141 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 141 Q C 0.057 175.890 176.000 -0.278 0.000 0.977 141 Q CA 1.675 57.303 55.803 -0.292 0.000 0.850 141 Q CB 0.085 28.430 28.738 -0.656 0.000 0.901 141 Q HN 0.872 nan 8.270 nan 0.000 0.429 142 Y N -1.549 118.928 120.300 0.296 0.000 2.717 142 Y HA 0.316 4.866 4.550 0.001 0.000 0.250 142 Y C 0.909 176.906 175.900 0.162 0.000 1.149 142 Y CA 0.020 58.253 58.100 0.221 0.000 1.211 142 Y CB 0.734 39.275 38.460 0.135 0.000 1.289 142 Y HN 0.235 nan 8.280 nan 0.000 0.552 143 G N 1.164 110.118 108.800 0.258 0.000 2.602 143 G HA2 -0.402 3.559 3.960 0.001 0.000 0.306 143 G HA3 -0.402 3.559 3.960 0.001 0.000 0.306 143 G C 0.874 175.728 174.900 -0.076 0.000 1.301 143 G CA 0.872 45.977 45.100 0.009 0.000 0.974 143 G HN 0.324 nan 8.290 nan 0.000 0.547 144 L N -0.215 120.930 121.223 -0.130 0.000 2.056 144 L HA 0.606 4.946 4.340 0.001 0.000 0.202 144 L C 0.914 177.858 176.870 0.123 0.000 1.086 144 L CA 2.662 57.456 54.840 -0.076 0.000 0.758 144 L CB -0.113 41.831 42.059 -0.192 0.000 0.912 144 L HN 1.286 nan 8.230 nan 0.000 0.446 145 F N -2.837 117.115 119.950 0.004 0.000 2.793 145 F HA 0.336 4.864 4.527 0.001 0.000 0.316 145 F C -0.708 175.091 175.800 -0.001 0.000 1.147 145 F CA -1.541 56.464 58.000 0.009 0.000 0.930 145 F CB 0.446 39.445 39.000 -0.002 0.000 1.277 145 F HN -0.121 nan 8.300 nan 0.000 0.443 146 R N 2.542 123.172 120.500 0.217 0.000 2.216 146 R HA 0.333 4.674 4.340 0.001 0.000 0.332 146 R C -0.700 175.745 176.300 0.242 0.000 1.056 146 R CA -0.357 55.813 56.100 0.116 0.000 0.901 146 R CB 1.060 31.404 30.300 0.074 0.000 1.039 146 R HN 0.898 nan 8.270 nan 0.000 0.456 147 Q N 3.077 122.963 119.800 0.143 0.000 2.267 147 Q HA 0.226 4.567 4.340 0.001 0.000 0.255 147 Q C -1.096 174.801 176.000 -0.171 0.000 0.923 147 Q CA -0.276 55.593 55.803 0.111 0.000 0.925 147 Q CB 1.183 29.956 28.738 0.057 0.000 1.195 147 Q HN 0.849 nan 8.270 nan 0.000 0.417 148 S N 2.403 117.958 115.700 -0.242 0.000 2.697 148 S HA 0.728 5.199 4.470 0.001 0.000 0.289 148 S C -1.147 173.209 174.600 -0.407 0.000 1.149 148 S CA -0.776 57.199 58.200 -0.374 0.000 0.850 148 S CB 0.987 64.093 63.200 -0.156 0.000 1.151 148 S HN 0.399 nan 8.310 nan 0.000 0.491 149 F N 0.277 120.192 119.950 -0.058 0.000 2.507 149 F HA 0.718 5.246 4.527 0.001 0.000 0.325 149 F C -0.551 175.220 175.800 -0.049 0.000 1.116 149 F CA -1.273 56.678 58.000 -0.081 0.000 0.930 149 F CB 2.099 41.029 39.000 -0.116 0.000 1.146 149 F HN 0.442 nan 8.300 nan 0.000 0.447 150 V N 2.981 122.984 119.914 0.147 0.000 2.525 150 V HA 0.268 4.389 4.120 0.001 0.000 0.299 150 V C -0.717 175.407 176.094 0.050 0.000 1.034 150 V CA -1.316 61.024 62.300 0.068 0.000 0.863 150 V CB 1.655 33.490 31.823 0.021 0.000 0.999 150 V HN 0.800 nan 8.190 nan 0.000 0.423 151 D N 4.166 124.601 120.400 0.058 0.000 2.702 151 D HA -0.229 4.412 4.640 0.001 0.000 0.233 151 D C 1.334 177.720 176.300 0.144 0.000 1.164 151 D CA 1.503 55.551 54.000 0.079 0.000 0.638 151 D CB -0.908 39.922 40.800 0.050 0.000 1.041 151 D HN 1.481 nan 8.370 nan 0.000 0.422 152 G N -0.603 108.265 108.800 0.114 0.000 2.184 152 G HA2 -0.362 3.598 3.960 0.001 0.000 0.264 152 G HA3 -0.362 3.598 3.960 0.001 0.000 0.264 152 G C 0.261 175.218 174.900 0.095 0.000 0.975 152 G CA 0.856 46.018 45.100 0.104 0.000 0.642 152 G HN 0.508 nan 8.290 nan 0.000 0.536 153 K N 0.218 120.649 120.400 0.052 0.000 2.203 153 K HA 0.468 4.788 4.320 0.001 0.000 0.251 153 K C 0.343 177.021 176.600 0.129 0.000 0.944 153 K CA -0.738 55.545 56.287 -0.005 0.000 0.829 153 K CB 1.625 34.015 32.500 -0.183 0.000 1.125 153 K HN 0.261 nan 8.250 nan 0.000 0.430 154 Q N 2.121 122.007 119.800 0.143 0.000 2.263 154 Q HA 0.037 4.378 4.340 0.001 0.000 0.289 154 Q C -1.012 174.988 176.000 -0.001 0.000 1.061 154 Q CA 0.022 55.918 55.803 0.155 0.000 0.927 154 Q CB 0.482 29.274 28.738 0.090 0.000 1.154 154 Q HN 0.276 nan 8.270 nan 0.000 0.378 155 V N 4.754 124.647 119.914 -0.035 0.000 2.459 155 V HA 0.260 4.381 4.120 0.001 0.000 0.295 155 V C -0.776 175.228 176.094 -0.151 0.000 1.029 155 V CA -0.681 61.562 62.300 -0.095 0.000 0.874 155 V CB 1.821 33.609 31.823 -0.059 0.000 0.985 155 V HN 0.824 nan 8.190 nan 0.000 0.438 156 E N 3.179 123.228 120.200 -0.252 0.000 2.109 156 E HA 0.700 5.050 4.350 0.001 0.000 0.278 156 E C -0.253 176.284 176.600 -0.105 0.000 0.954 156 E CA -0.098 56.097 56.400 -0.343 0.000 0.779 156 E CB 1.716 30.982 29.700 -0.724 0.000 1.093 156 E HN 0.864 nan 8.360 nan 0.000 0.401 157 A N 4.058 126.896 122.820 0.031 0.000 2.384 157 A HA 0.738 5.059 4.320 0.001 0.000 0.312 157 A C -2.547 175.074 177.584 0.063 0.000 1.113 157 A CA -2.104 49.943 52.037 0.017 0.000 0.779 157 A CB 0.762 19.768 19.000 0.009 0.000 1.307 157 A HN 0.379 nan 8.150 nan 0.000 0.436 158 P HA 0.088 nan 4.420 nan 0.000 0.264 158 P C -0.894 176.471 177.300 0.109 0.000 1.193 158 P CA 0.356 63.428 63.100 -0.047 0.000 0.763 158 P CB 0.375 31.831 31.700 -0.406 0.000 0.810 159 D N 2.495 123.025 120.400 0.217 0.000 2.619 159 D HA 0.020 4.661 4.640 0.001 0.000 0.224 159 D C -0.458 176.044 176.300 0.337 0.000 1.133 159 D CA -0.150 53.973 54.000 0.205 0.000 1.017 159 D CB -0.727 40.142 40.800 0.115 0.000 1.077 159 D HN 0.128 nan 8.370 nan 0.000 0.503 160 D N 2.349 122.933 120.400 0.307 0.000 2.358 160 D HA -0.053 4.587 4.640 0.001 0.000 0.258 160 D C 0.695 177.019 176.300 0.040 0.000 1.223 160 D CA -0.337 53.800 54.000 0.228 0.000 0.886 160 D CB 0.305 41.192 40.800 0.144 0.000 1.120 160 D HN 0.486 nan 8.370 nan 0.000 0.482 161 W N 4.530 125.726 121.300 -0.175 0.000 2.991 161 W HA 0.180 4.841 4.660 0.001 0.000 0.391 161 W C -0.440 176.039 176.519 -0.066 0.000 1.054 161 W CA -0.383 56.867 57.345 -0.158 0.000 1.856 161 W CB -1.045 28.381 29.460 -0.057 0.000 1.132 161 W HN 0.443 nan 8.180 nan 0.000 0.601 162 H N 0.765 119.738 119.070 -0.161 0.000 2.819 162 H HA -0.214 4.343 4.556 0.001 0.000 0.315 162 H C 1.798 176.852 175.328 -0.457 0.000 1.242 162 H CA 1.270 57.204 56.048 -0.191 0.000 1.157 162 H CB -1.935 27.856 29.762 0.048 0.000 1.451 162 H HN 0.368 nan 8.280 nan 0.000 0.430 163 R N 1.123 121.001 120.500 -1.037 0.000 2.133 163 R HA -0.218 4.122 4.340 0.001 0.000 0.245 163 R C 2.095 178.065 176.300 -0.550 0.000 1.137 163 R CA 2.754 58.022 56.100 -1.387 0.000 0.947 163 R CB -0.129 29.429 30.300 -1.237 0.000 0.865 163 R HN 0.442 nan 8.270 nan 0.000 0.437 164 S N -0.720 114.719 115.700 -0.435 0.000 2.522 164 S HA 0.064 4.534 4.470 0.001 0.000 0.227 164 S C 1.071 175.622 174.600 -0.081 0.000 0.986 164 S CA 0.424 58.399 58.200 -0.375 0.000 0.929 164 S CB 0.134 63.130 63.200 -0.340 0.000 0.769 164 S HN 0.384 nan 8.310 nan 0.000 0.529 165 N N 0.305 119.015 118.700 0.017 0.000 2.203 165 N HA 0.144 4.884 4.740 0.001 0.000 0.207 165 N C -0.759 174.878 175.510 0.211 0.000 1.130 165 N CA -0.154 52.959 53.050 0.105 0.000 0.861 165 N CB 0.137 38.660 38.487 0.059 0.000 1.005 165 N HN 0.491 nan 8.380 nan 0.000 0.507 166 Y N 4.405 124.830 120.300 0.208 0.000 2.650 166 Y HA 0.079 4.629 4.550 0.001 0.000 0.331 166 Y C -1.183 174.867 175.900 0.249 0.000 1.165 166 Y CA -1.312 56.976 58.100 0.315 0.000 1.473 166 Y CB 0.967 39.641 38.460 0.356 0.000 1.224 166 Y HN 0.072 nan 8.280 nan 0.000 0.533 167 P HA -0.126 nan 4.420 nan 0.000 0.229 167 P C 0.535 177.545 177.300 -0.483 0.000 1.160 167 P CA 1.298 64.110 63.100 -0.481 0.000 0.777 167 P CB 0.013 31.224 31.700 -0.815 0.000 0.814 168 W N -1.349 119.777 121.300 -0.291 0.000 3.047 168 W HA 0.161 4.821 4.660 0.001 0.000 0.250 168 W C 0.737 177.323 176.519 0.112 0.000 1.314 168 W CA -0.475 56.833 57.345 -0.061 0.000 1.540 168 W CB -0.564 28.888 29.460 -0.013 0.000 1.127 168 W HN -0.243 nan 8.180 nan 0.000 0.679 169 F N 2.216 122.411 119.950 0.407 0.000 2.450 169 F HA 0.248 4.775 4.527 0.001 0.000 0.339 169 F C 1.114 177.061 175.800 0.246 0.000 1.146 169 F CA -0.916 57.331 58.000 0.411 0.000 1.267 169 F CB 0.452 39.799 39.000 0.578 0.000 1.178 169 F HN -0.143 nan 8.300 nan 0.000 0.585 170 R N 1.515 122.283 120.500 0.448 0.000 2.744 170 R HA 0.576 4.916 4.340 0.001 0.000 0.279 170 R C -2.004 174.258 176.300 -0.062 0.000 0.977 170 R CA -0.960 55.234 56.100 0.156 0.000 0.906 170 R CB 1.788 32.137 30.300 0.082 0.000 1.197 170 R HN 0.661 nan 8.270 nan 0.000 0.463 171 H N 1.487 120.316 119.070 -0.401 0.000 2.970 171 H HA 0.292 4.849 4.556 0.001 0.000 0.315 171 H C -1.481 173.597 175.328 -0.417 0.000 0.992 171 H CA -0.867 54.761 56.048 -0.700 0.000 1.363 171 H CB 1.097 29.968 29.762 -1.485 0.000 1.532 171 H HN 0.677 nan 8.280 nan 0.000 0.514 172 N N 3.791 122.144 118.700 -0.579 0.000 2.521 172 N HA 0.011 4.751 4.740 0.001 0.000 0.236 172 N C 0.957 176.118 175.510 -0.582 0.000 1.067 172 N CA -0.023 52.733 53.050 -0.491 0.000 0.939 172 N CB 0.542 38.883 38.487 -0.243 0.000 1.201 172 N HN 0.915 nan 8.380 nan 0.000 0.511 173 E N 2.531 122.296 120.200 -0.724 0.000 2.233 173 E HA -0.253 4.098 4.350 0.001 0.000 0.199 173 E C 1.137 177.648 176.600 -0.148 0.000 1.004 173 E CA 1.504 57.671 56.400 -0.388 0.000 0.819 173 E CB -0.170 29.384 29.700 -0.243 0.000 0.738 173 E HN 0.506 nan 8.360 nan 0.000 0.478 174 A N 1.071 123.805 122.820 -0.143 0.000 2.216 174 A HA 0.046 4.367 4.320 0.001 0.000 0.214 174 A C 1.966 179.537 177.584 -0.022 0.000 1.160 174 A CA 0.537 52.532 52.037 -0.069 0.000 0.725 174 A CB -0.336 18.621 19.000 -0.072 0.000 0.784 174 A HN 0.305 nan 8.150 nan 0.000 0.472 175 L N -0.214 121.006 121.223 -0.006 0.000 2.607 175 L HA 0.099 4.440 4.340 0.001 0.000 0.228 175 L C -0.404 176.583 176.870 0.193 0.000 1.123 175 L CA -0.503 54.390 54.840 0.090 0.000 0.890 175 L CB -0.340 41.766 42.059 0.078 0.000 1.103 175 L HN 0.134 nan 8.230 nan 0.000 0.468 176 D N 1.115 121.602 120.400 0.144 0.000 2.449 176 D HA 0.142 4.782 4.640 0.001 0.000 0.236 176 D C -0.047 176.305 176.300 0.087 0.000 1.149 176 D CA 0.535 54.634 54.000 0.165 0.000 0.878 176 D CB 1.837 42.701 40.800 0.107 0.000 1.198 176 D HN -0.157 nan 8.370 nan 0.000 0.446 177 V N 1.284 121.220 119.914 0.036 0.000 2.760 177 V HA 0.281 4.402 4.120 0.001 0.000 0.309 177 V C -1.362 174.691 176.094 -0.068 0.000 1.077 177 V CA -0.830 61.428 62.300 -0.070 0.000 0.910 177 V CB 2.043 33.747 31.823 -0.198 0.000 1.008 177 V HN 0.302 nan 8.190 nan 0.000 0.424 178 Q N 4.127 123.885 119.800 -0.070 0.000 2.279 178 Q HA 0.544 4.885 4.340 0.001 0.000 0.256 178 Q C -0.862 175.100 176.000 -0.062 0.000 0.937 178 Q CA -0.224 55.536 55.803 -0.071 0.000 0.933 178 Q CB 1.873 30.562 28.738 -0.081 0.000 1.189 178 Q HN 0.688 nan 8.270 nan 0.000 0.417 179 V N 1.833 121.732 119.914 -0.025 0.000 2.483 179 V HA 0.521 4.642 4.120 0.001 0.000 0.297 179 V C 0.407 176.559 176.094 0.097 0.000 1.027 179 V CA -0.836 61.488 62.300 0.040 0.000 0.855 179 V CB 1.825 33.691 31.823 0.072 0.000 0.995 179 V HN 0.849 nan 8.190 nan 0.000 0.424 180 G N 3.646 112.502 108.800 0.093 0.000 2.476 180 G HA2 0.734 4.694 3.960 0.001 0.000 0.286 180 G HA3 0.734 4.694 3.960 0.001 0.000 0.286 180 G C -1.029 174.072 174.900 0.335 0.000 1.177 180 G CA -0.307 44.784 45.100 -0.015 0.000 0.870 180 G HN 0.660 nan 8.290 nan 0.000 0.528 181 I N -0.475 120.285 120.570 0.316 0.000 2.918 181 I HA 0.600 4.771 4.170 0.001 0.000 0.301 181 I C 0.594 176.937 176.117 0.377 0.000 1.312 181 I CA 0.638 62.214 61.300 0.461 0.000 1.007 181 I CB 1.912 40.161 38.000 0.415 0.000 1.281 181 I HN 1.301 nan 8.210 nan 0.000 0.440 182 G N 3.599 112.614 108.800 0.358 0.000 2.562 182 G HA2 0.289 4.250 3.960 0.001 0.000 0.250 182 G HA3 0.289 4.250 3.960 0.001 0.000 0.250 182 G C 0.556 175.670 174.900 0.358 0.000 1.269 182 G CA -0.086 45.175 45.100 0.269 0.000 0.919 182 G HN 2.281 nan 8.290 nan 0.000 0.574 183 G N -0.719 108.224 108.800 0.238 0.000 2.553 183 G HA2 0.336 4.297 3.960 0.001 0.000 0.242 183 G HA3 0.336 4.297 3.960 0.001 0.000 0.242 183 G C 0.010 175.059 174.900 0.249 0.000 1.277 183 G CA 1.570 46.805 45.100 0.224 0.000 0.910 183 G HN 2.472 nan 8.290 nan 0.000 0.576 184 K N -1.772 118.791 120.400 0.272 0.000 2.512 184 K HA 0.726 5.047 4.320 0.001 0.000 0.263 184 K C -0.989 175.790 176.600 0.297 0.000 0.966 184 K CA -0.996 55.426 56.287 0.225 0.000 0.851 184 K CB 2.223 34.804 32.500 0.135 0.000 1.395 184 K HN 0.830 nan 8.250 nan 0.000 0.440 185 V N 1.969 121.998 119.914 0.192 0.000 2.439 185 V HA 0.232 4.352 4.120 0.001 0.000 0.282 185 V C 0.621 176.780 176.094 0.109 0.000 1.039 185 V CA -0.516 61.880 62.300 0.161 0.000 0.913 185 V CB 1.159 33.032 31.823 0.084 0.000 0.983 185 V HN 1.013 nan 8.190 nan 0.000 0.460 186 T N 2.055 116.670 114.554 0.102 0.000 2.754 186 T HA 0.240 4.591 4.350 0.001 0.000 0.286 186 T C 1.115 175.849 174.700 0.057 0.000 0.997 186 T CA -0.646 61.498 62.100 0.072 0.000 0.982 186 T CB 0.667 69.573 68.868 0.064 0.000 1.027 186 T HN 0.460 nan 8.240 nan 0.000 0.529 187 K N 0.937 121.363 120.400 0.045 0.000 2.152 187 K HA -0.090 4.231 4.320 0.001 0.000 0.206 187 K C 1.415 178.037 176.600 0.035 0.000 1.048 187 K CA 1.491 57.799 56.287 0.036 0.000 0.933 187 K CB -0.714 31.804 32.500 0.029 0.000 0.721 187 K HN 0.876 nan 8.250 nan 0.000 0.447 188 D N -1.140 119.283 120.400 0.039 0.000 2.325 188 D HA 0.128 4.769 4.640 0.001 0.000 0.225 188 D C 0.810 177.139 176.300 0.047 0.000 1.096 188 D CA 0.418 54.442 54.000 0.039 0.000 0.844 188 D CB -0.133 40.688 40.800 0.035 0.000 0.925 188 D HN 0.173 nan 8.370 nan 0.000 0.513 189 G N 0.571 109.403 108.800 0.054 0.000 2.149 189 G HA2 -0.312 3.649 3.960 0.001 0.000 0.235 189 G HA3 -0.312 3.649 3.960 0.001 0.000 0.235 189 G C -0.037 174.915 174.900 0.086 0.000 1.018 189 G CA -0.422 44.715 45.100 0.063 0.000 0.728 189 G HN 0.418 nan 8.290 nan 0.000 0.508 190 R N -1.063 119.495 120.500 0.097 0.000 2.265 190 R HA 0.377 4.718 4.340 0.001 0.000 0.319 190 R C -0.191 176.233 176.300 0.206 0.000 1.006 190 R CA -0.868 55.308 56.100 0.125 0.000 0.880 190 R CB 0.805 31.155 30.300 0.084 0.000 1.077 190 R HN 0.212 nan 8.270 nan 0.000 0.454 191 W N 4.123 125.431 121.300 0.013 0.000 2.345 191 W HA 0.102 4.763 4.660 0.001 0.000 0.308 191 W C -0.654 175.881 176.519 0.026 0.000 1.273 191 W CA -0.782 56.573 57.345 0.018 0.000 1.243 191 W CB 0.613 30.079 29.460 0.010 0.000 1.260 191 W HN 0.498 nan 8.180 nan 0.000 0.509 192 E N 8.007 128.247 120.200 0.068 0.000 2.256 192 E HA 0.215 4.566 4.350 0.001 0.000 0.243 192 E C -2.211 174.261 176.600 -0.213 0.000 0.925 192 E CA -1.851 54.476 56.400 -0.122 0.000 0.748 192 E CB 1.026 30.730 29.700 0.007 0.000 1.206 192 E HN 0.104 nan 8.360 nan 0.000 0.428 193 P HA -0.073 nan 4.420 nan 0.000 0.269 193 P C 0.442 177.699 177.300 -0.071 0.000 1.215 193 P CA 0.109 62.994 63.100 -0.358 0.000 0.780 193 P CB 0.643 32.002 31.700 -0.569 0.000 0.898 194 E N 1.247 121.496 120.200 0.080 0.000 2.447 194 E HA 0.080 4.431 4.350 0.001 0.000 0.195 194 E C -0.403 176.332 176.600 0.225 0.000 1.028 194 E CA 0.205 56.680 56.400 0.126 0.000 0.876 194 E CB 0.057 29.841 29.700 0.140 0.000 0.885 194 E HN 0.327 nan 8.360 nan 0.000 0.500 195 F N 0.875 120.847 119.950 0.036 0.000 2.608 195 F HA 0.383 4.911 4.527 0.001 0.000 0.309 195 F C -1.491 174.350 175.800 0.067 0.000 1.103 195 F CA -0.548 57.502 58.000 0.083 0.000 0.954 195 F CB 2.451 41.511 39.000 0.100 0.000 1.267 195 F HN -0.278 nan 8.300 nan 0.000 0.444 196 T N 6.681 121.008 114.554 -0.380 0.000 2.812 196 T HA 0.603 4.953 4.350 0.001 0.000 0.282 196 T C -0.501 173.902 174.700 -0.495 0.000 0.990 196 T CA -0.348 61.568 62.100 -0.306 0.000 0.960 196 T CB 1.128 69.846 68.868 -0.250 0.000 0.948 196 T HN 0.381 nan 8.240 nan 0.000 0.438 197 I N 2.522 122.965 120.570 -0.211 0.000 2.359 197 I HA 0.298 4.469 4.170 0.001 0.000 0.294 197 I C 0.482 176.543 176.117 -0.094 0.000 0.987 197 I CA -0.479 60.734 61.300 -0.145 0.000 1.225 197 I CB 1.528 39.540 38.000 0.021 0.000 1.366 197 I HN 0.486 nan 8.210 nan 0.000 0.466 198 T N 5.023 119.505 114.554 -0.120 0.000 2.738 198 T HA 0.367 4.718 4.350 0.001 0.000 0.298 198 T C 0.347 175.127 174.700 0.133 0.000 0.962 198 T CA -0.577 61.508 62.100 -0.026 0.000 0.972 198 T CB 0.781 69.596 68.868 -0.087 0.000 0.928 198 T HN 0.782 nan 8.240 nan 0.000 0.474 199 G N 3.167 112.111 108.800 0.240 0.000 2.325 199 G HA2 0.451 4.412 3.960 0.001 0.000 0.298 199 G HA3 0.451 4.412 3.960 0.001 0.000 0.298 199 G C -0.471 174.684 174.900 0.424 0.000 1.134 199 G CA -0.574 44.788 45.100 0.437 0.000 0.876 199 G HN 0.627 nan 8.290 nan 0.000 0.452 200 Q N 0.495 120.583 119.800 0.480 0.000 2.256 200 Q HA 0.558 4.899 4.340 0.001 0.000 0.257 200 Q C -0.102 176.121 176.000 0.372 0.000 0.936 200 Q CA -0.683 55.334 55.803 0.357 0.000 0.903 200 Q CB 2.403 31.209 28.738 0.113 0.000 1.263 200 Q HN 0.638 nan 8.270 nan 0.000 0.440 201 A N 2.488 125.392 122.820 0.139 0.000 2.269 201 A HA 0.386 4.707 4.320 0.001 0.000 0.302 201 A C -1.489 175.912 177.584 -0.306 0.000 1.266 201 A CA -0.345 51.538 52.037 -0.258 0.000 0.894 201 A CB 0.032 18.826 19.000 -0.344 0.000 1.147 201 A HN 0.707 nan 8.150 nan 0.000 0.537 202 W N 2.327 123.482 121.300 -0.241 0.000 2.338 202 W HA 0.389 5.050 4.660 0.001 0.000 0.315 202 W C -0.913 175.631 176.519 0.042 0.000 1.005 202 W CA -0.302 56.896 57.345 -0.246 0.000 1.380 202 W CB 1.472 30.517 29.460 -0.691 0.000 1.235 202 W HN 0.558 nan 8.180 nan 0.000 0.409 203 D N 3.341 123.905 120.400 0.273 0.000 2.198 203 D HA 0.455 5.095 4.640 0.001 0.000 0.245 203 D C -0.420 176.117 176.300 0.396 0.000 1.079 203 D CA -0.290 53.832 54.000 0.204 0.000 0.854 203 D CB 1.789 42.620 40.800 0.051 0.000 1.148 203 D HN 0.163 nan 8.370 nan 0.000 0.456 204 L N 3.523 124.874 121.223 0.213 0.000 2.334 204 L HA 0.422 4.763 4.340 0.001 0.000 0.276 204 L C -2.274 174.618 176.870 0.036 0.000 1.014 204 L CA -1.897 53.011 54.840 0.113 0.000 0.815 204 L CB 2.208 44.256 42.059 -0.019 0.000 1.268 204 L HN 0.105 nan 8.230 nan 0.000 0.428 205 P HA 0.182 nan 4.420 nan 0.000 0.292 205 P C -0.858 176.387 177.300 -0.091 0.000 1.287 205 P CA -0.367 62.732 63.100 -0.002 0.000 0.800 205 P CB 1.514 33.252 31.700 0.063 0.000 0.945 206 V N 4.731 124.592 119.914 -0.089 0.000 2.364 206 V HA 0.169 4.289 4.120 0.001 0.000 0.272 206 V C 0.477 176.511 176.094 -0.101 0.000 1.036 206 V CA -0.593 61.643 62.300 -0.107 0.000 0.880 206 V CB 1.480 33.249 31.823 -0.090 0.000 0.991 206 V HN 0.270 nan 8.190 nan 0.000 0.460 207 V N 4.828 124.663 119.914 -0.131 0.000 2.350 207 V HA 0.527 4.648 4.120 0.001 0.000 0.276 207 V C 1.035 177.071 176.094 -0.096 0.000 1.028 207 V CA -0.308 61.912 62.300 -0.133 0.000 0.860 207 V CB 1.314 33.020 31.823 -0.195 0.000 0.990 207 V HN 0.956 nan 8.190 nan 0.000 0.453 208 G N 2.870 111.622 108.800 -0.081 0.000 2.544 208 G HA2 0.178 4.139 3.960 0.001 0.000 0.242 208 G HA3 0.178 4.139 3.960 0.001 0.000 0.242 208 G C -0.670 174.212 174.900 -0.031 0.000 1.247 208 G CA -0.186 44.888 45.100 -0.043 0.000 0.840 208 G HN 0.683 nan 8.290 nan 0.000 0.578 209 Y N 2.578 122.812 120.300 -0.111 0.000 2.587 209 Y HA 0.203 4.754 4.550 0.001 0.000 0.344 209 Y C 1.274 177.105 175.900 -0.115 0.000 1.061 209 Y CA -0.394 57.633 58.100 -0.121 0.000 1.370 209 Y CB 0.227 38.615 38.460 -0.119 0.000 1.163 209 Y HN 0.644 nan 8.280 nan 0.000 0.527 210 R N 2.763 122.941 120.500 -0.537 0.000 3.741 210 R HA -0.269 4.072 4.340 0.001 0.000 0.292 210 R C -0.126 176.034 176.300 -0.234 0.000 1.176 210 R CA 1.119 56.935 56.100 -0.472 0.000 0.794 210 R CB -2.560 27.311 30.300 -0.716 0.000 1.213 210 R HN 0.874 nan 8.270 nan 0.000 0.494 211 N N -1.847 116.754 118.700 -0.166 0.000 2.143 211 N HA 0.114 4.855 4.740 0.001 0.000 0.222 211 N C 1.049 176.490 175.510 -0.116 0.000 1.264 211 N CA 0.605 53.588 53.050 -0.113 0.000 0.897 211 N CB 0.429 38.869 38.487 -0.079 0.000 1.092 211 N HN 0.297 nan 8.380 nan 0.000 0.516 212 G N 0.243 108.965 108.800 -0.130 0.000 2.196 212 G HA2 -0.285 3.676 3.960 0.001 0.000 0.268 212 G HA3 -0.285 3.676 3.960 0.001 0.000 0.268 212 G C -0.182 174.640 174.900 -0.129 0.000 0.975 212 G CA 0.596 45.623 45.100 -0.120 0.000 0.648 212 G HN 0.319 nan 8.290 nan 0.000 0.538 213 V N 0.644 120.481 119.914 -0.129 0.000 2.614 213 V HA 0.598 4.719 4.120 0.001 0.000 0.291 213 V C 0.692 176.737 176.094 -0.082 0.000 1.049 213 V CA 0.446 62.674 62.300 -0.121 0.000 1.038 213 V CB 1.378 33.139 31.823 -0.104 0.000 0.980 213 V HN 1.372 nan 8.190 nan 0.000 0.481 214 A N 5.780 128.575 122.820 -0.042 0.000 2.385 214 A HA 0.743 5.064 4.320 0.001 0.000 0.290 214 A C -0.579 177.020 177.584 0.025 0.000 1.094 214 A CA -0.732 51.295 52.037 -0.016 0.000 0.729 214 A CB 1.288 20.290 19.000 0.003 0.000 1.194 214 A HN 0.848 nan 8.150 nan 0.000 0.442 215 Q N 2.290 122.088 119.800 -0.003 0.000 2.451 215 Q HA 0.745 5.086 4.340 0.001 0.000 0.281 215 Q C -2.960 173.017 176.000 -0.038 0.000 1.099 215 Q CA -2.410 53.398 55.803 0.009 0.000 0.806 215 Q CB 2.665 31.413 28.738 0.017 0.000 1.419 215 Q HN 0.412 nan 8.270 nan 0.000 0.427 216 P HA 0.105 nan 4.420 nan 0.000 0.279 216 P C -1.015 176.170 177.300 -0.192 0.000 1.239 216 P CA -0.511 62.528 63.100 -0.102 0.000 0.789 216 P CB 0.730 32.367 31.700 -0.105 0.000 0.933 217 L N 3.848 124.948 121.223 -0.206 0.000 2.255 217 L HA 0.428 4.769 4.340 0.001 0.000 0.289 217 L C 0.177 176.867 176.870 -0.300 0.000 1.046 217 L CA -0.564 54.068 54.840 -0.347 0.000 0.816 217 L CB 0.098 41.933 42.059 -0.374 0.000 1.197 217 L HN 0.303 nan 8.230 nan 0.000 0.427 218 R N 5.539 125.788 120.500 -0.418 0.000 2.198 218 R HA 0.550 4.891 4.340 0.001 0.000 0.339 218 R C -1.448 174.607 176.300 -0.409 0.000 1.020 218 R CA -0.401 55.447 56.100 -0.420 0.000 0.864 218 R CB 0.435 30.397 30.300 -0.562 0.000 1.105 218 R HN 0.780 nan 8.270 nan 0.000 0.463 219 L N 5.807 126.882 121.223 -0.247 0.000 2.276 219 L HA 0.395 4.735 4.340 0.001 0.000 0.286 219 L C -0.664 176.146 176.870 -0.100 0.000 1.024 219 L CA -0.795 53.985 54.840 -0.100 0.000 0.826 219 L CB 0.966 43.102 42.059 0.128 0.000 1.211 219 L HN 0.573 nan 8.230 nan 0.000 0.422 220 W N 3.041 124.425 121.300 0.140 0.000 2.266 220 W HA 0.347 5.008 4.660 0.001 0.000 0.317 220 W C 0.406 177.080 176.519 0.259 0.000 1.310 220 W CA -0.050 57.392 57.345 0.161 0.000 1.207 220 W CB 0.564 29.984 29.460 -0.066 0.000 1.199 220 W HN 0.438 nan 8.180 nan 0.000 0.544 221 Q N 2.246 122.381 119.800 0.559 0.000 2.337 221 Q HA 0.672 5.012 4.340 0.001 0.000 0.266 221 Q C -0.809 175.397 176.000 0.344 0.000 1.023 221 Q CA -0.776 55.221 55.803 0.323 0.000 0.829 221 Q CB 1.702 30.483 28.738 0.070 0.000 1.306 221 Q HN 0.593 nan 8.270 nan 0.000 0.449 222 A N 2.420 125.263 122.820 0.038 0.000 2.301 222 A HA 0.688 5.009 4.320 0.001 0.000 0.298 222 A C -0.308 177.229 177.584 -0.078 0.000 1.185 222 A CA -0.080 51.804 52.037 -0.256 0.000 0.830 222 A CB 0.710 19.265 19.000 -0.741 0.000 1.112 222 A HN 0.780 nan 8.150 nan 0.000 0.508 223 T N -0.637 113.901 114.554 -0.026 0.000 2.865 223 T HA 0.599 4.950 4.350 0.001 0.000 0.294 223 T C -0.859 173.850 174.700 0.015 0.000 1.119 223 T CA -0.655 61.457 62.100 0.020 0.000 1.007 223 T CB 1.489 70.380 68.868 0.037 0.000 1.225 223 T HN 0.690 nan 8.240 nan 0.000 0.515 224 H N -0.391 118.672 119.070 -0.010 0.000 2.495 224 H HA 0.636 5.192 4.556 0.001 0.000 0.348 224 H C 1.074 176.357 175.328 -0.075 0.000 1.113 224 H CA -0.052 55.968 56.048 -0.046 0.000 1.195 224 H CB 2.113 31.875 29.762 -0.001 0.000 1.521 224 H HN 0.886 nan 8.280 nan 0.000 0.509 225 A N 3.956 126.593 122.820 -0.306 0.000 1.978 225 A HA -0.134 4.186 4.320 0.001 0.000 0.220 225 A C 0.453 177.794 177.584 -0.405 0.000 1.170 225 A CA 1.211 53.064 52.037 -0.307 0.000 0.636 225 A CB -0.072 18.700 19.000 -0.379 0.000 0.810 225 A HN 0.695 nan 8.150 nan 0.000 0.448 226 H N -1.320 117.999 119.070 0.416 0.000 2.380 226 H HA 0.205 4.761 4.556 0.001 0.000 0.231 226 H C -2.131 173.295 175.328 0.163 0.000 1.415 226 H CA -1.376 54.820 56.048 0.246 0.000 1.433 226 H CB 0.665 30.529 29.762 0.170 0.000 1.544 226 H HN 0.367 nan 8.280 nan 0.000 0.503 227 P HA -0.086 nan 4.420 nan 0.000 0.225 227 P C 0.222 177.655 177.300 0.221 0.000 1.156 227 P CA 0.640 63.852 63.100 0.188 0.000 0.787 227 P CB 0.463 32.270 31.700 0.178 0.000 0.802 228 F N 0.866 120.859 119.950 0.072 0.000 2.507 228 F HA 0.507 5.035 4.527 0.001 0.000 0.325 228 F C -0.852 174.989 175.800 0.070 0.000 1.116 228 F CA -1.251 56.787 58.000 0.064 0.000 0.930 228 F CB 1.518 40.536 39.000 0.030 0.000 1.146 228 F HN -0.370 nan 8.300 nan 0.000 0.447 229 D N 6.082 126.163 120.400 -0.532 0.000 2.441 229 D HA 0.132 4.773 4.640 0.001 0.000 0.231 229 D C 0.397 176.350 176.300 -0.578 0.000 1.073 229 D CA -0.244 53.538 54.000 -0.364 0.000 0.850 229 D CB 1.580 42.266 40.800 -0.190 0.000 1.062 229 D HN 0.698 nan 8.370 nan 0.000 0.524 230 L N 3.824 124.856 121.223 -0.318 0.000 2.240 230 L HA -0.005 4.335 4.340 0.001 0.000 0.211 230 L C 1.819 178.689 176.870 0.000 0.000 1.106 230 L CA 1.545 56.314 54.840 -0.118 0.000 0.793 230 L CB -0.313 41.817 42.059 0.118 0.000 0.927 230 L HN 0.356 nan 8.230 nan 0.000 0.446 231 T N -0.350 114.184 114.554 -0.033 0.000 2.674 231 T HA -0.175 4.176 4.350 0.001 0.000 0.265 231 T C 1.861 176.542 174.700 -0.032 0.000 1.039 231 T CA 1.649 63.740 62.100 -0.014 0.000 1.150 231 T CB -0.120 68.734 68.868 -0.024 0.000 0.864 231 T HN 0.329 nan 8.240 nan 0.000 0.427 232 K N 0.261 120.617 120.400 -0.074 0.000 2.063 232 K HA -0.074 4.247 4.320 0.001 0.000 0.208 232 K C 2.057 178.606 176.600 -0.086 0.000 1.048 232 K CA 1.256 57.487 56.287 -0.092 0.000 0.928 232 K CB -0.451 31.985 32.500 -0.106 0.000 0.713 232 K HN 0.266 nan 8.250 nan 0.000 0.442 233 F N 2.600 122.447 119.950 -0.171 0.000 2.126 233 F HA -0.204 4.323 4.527 0.001 0.000 0.299 233 F C 1.819 177.647 175.800 0.048 0.000 1.096 233 F CA 1.475 59.472 58.000 -0.005 0.000 1.255 233 F CB -0.073 38.983 39.000 0.094 0.000 0.997 233 F HN 0.035 nan 8.300 nan 0.000 0.479 234 N N 0.066 118.890 118.700 0.206 0.000 2.463 234 N HA -0.080 4.660 4.740 0.001 0.000 0.181 234 N C 0.552 176.061 175.510 -0.001 0.000 1.078 234 N CA 0.756 53.899 53.050 0.156 0.000 0.902 234 N CB -0.330 38.261 38.487 0.173 0.000 0.970 234 N HN 0.325 nan 8.380 nan 0.000 0.451 235 D N -0.645 119.704 120.400 -0.085 0.000 2.325 235 D HA 0.177 4.818 4.640 0.001 0.000 0.225 235 D C 1.141 177.280 176.300 -0.267 0.000 1.096 235 D CA 0.145 54.064 54.000 -0.134 0.000 0.844 235 D CB 0.052 40.783 40.800 -0.114 0.000 0.925 235 D HN 0.256 nan 8.370 nan 0.000 0.513 236 G N 1.433 109.954 108.800 -0.464 0.000 2.157 236 G HA2 -0.253 3.708 3.960 0.001 0.000 0.248 236 G HA3 -0.253 3.708 3.960 0.001 0.000 0.248 236 G C 0.135 174.295 174.900 -1.233 0.000 0.979 236 G CA -0.103 44.427 45.100 -0.950 0.000 0.650 236 G HN 0.283 nan 8.290 nan 0.000 0.529 237 D N 0.291 120.239 120.400 -0.752 0.000 2.564 237 D HA 0.486 5.127 4.640 0.001 0.000 0.226 237 D C 1.440 177.519 176.300 -0.368 0.000 1.149 237 D CA -0.859 52.835 54.000 -0.510 0.000 0.994 237 D CB -0.494 40.153 40.800 -0.254 0.000 1.029 237 D HN 0.116 nan 8.370 nan 0.000 0.517 238 F N 0.977 120.833 119.950 -0.156 0.000 2.171 238 F HA -0.117 4.410 4.527 0.001 0.000 0.300 238 F C 1.986 177.839 175.800 0.088 0.000 1.090 238 F CA 0.272 58.219 58.000 -0.088 0.000 1.293 238 F CB -0.541 38.377 39.000 -0.135 0.000 1.013 238 F HN 0.305 nan 8.300 nan 0.000 0.486 239 L N 0.603 121.939 121.223 0.189 0.000 2.023 239 L HA -0.034 4.306 4.340 0.001 0.000 0.205 239 L C 2.357 179.286 176.870 0.099 0.000 1.073 239 L CA 1.673 56.602 54.840 0.147 0.000 0.745 239 L CB -0.745 41.371 42.059 0.096 0.000 0.900 239 L HN -0.036 nan 8.230 nan 0.000 0.435 240 R N -0.372 120.149 120.500 0.036 0.000 2.152 240 R HA -0.052 4.288 4.340 0.001 0.000 0.232 240 R C 2.112 178.414 176.300 0.003 0.000 1.117 240 R CA 0.947 57.052 56.100 0.007 0.000 0.981 240 R CB -0.537 29.744 30.300 -0.031 0.000 0.870 240 R HN 0.525 nan 8.270 nan 0.000 0.451 241 A N 1.287 124.116 122.820 0.015 0.000 2.076 241 A HA -0.147 4.174 4.320 0.001 0.000 0.220 241 A C 1.462 179.041 177.584 -0.008 0.000 1.160 241 A CA 1.259 53.261 52.037 -0.058 0.000 0.653 241 A CB -0.042 18.954 19.000 -0.006 0.000 0.801 241 A HN 0.174 nan 8.150 nan 0.000 0.455 242 E N -0.837 119.441 120.200 0.131 0.000 2.463 242 E HA -0.025 4.326 4.350 0.001 0.000 0.193 242 E C 1.652 178.318 176.600 0.111 0.000 1.041 242 E CA 0.381 56.887 56.400 0.177 0.000 0.879 242 E CB 0.146 29.974 29.700 0.214 0.000 0.997 242 E HN 0.791 nan 8.360 nan 0.000 0.478 243 Q N 1.540 121.378 119.800 0.064 0.000 2.084 243 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 243 Q C 2.132 178.162 176.000 0.050 0.000 0.978 243 Q CA 1.782 57.611 55.803 0.044 0.000 0.844 243 Q CB -0.009 28.738 28.738 0.015 0.000 0.898 243 Q HN 0.257 nan 8.270 nan 0.000 0.426 244 Q N -1.111 118.714 119.800 0.042 0.000 2.084 244 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 244 Q C 1.856 177.923 176.000 0.112 0.000 0.978 244 Q CA 1.697 57.529 55.803 0.048 0.000 0.844 244 Q CB -0.559 28.118 28.738 -0.100 0.000 0.898 244 Q HN 0.535 nan 8.270 nan 0.000 0.426 245 G N 0.698 109.566 108.800 0.113 0.000 2.402 245 G HA2 -0.223 3.737 3.960 0.001 0.000 0.216 245 G HA3 -0.223 3.737 3.960 0.001 0.000 0.216 245 G C 1.371 176.359 174.900 0.148 0.000 1.162 245 G CA 0.846 46.045 45.100 0.165 0.000 0.777 245 G HN 0.374 nan 8.290 nan 0.000 0.539 246 I N 1.161 121.801 120.570 0.117 0.000 2.208 246 I HA -0.206 3.965 4.170 0.001 0.000 0.245 246 I C 2.442 178.604 176.117 0.076 0.000 1.097 246 I CA 0.884 62.238 61.300 0.091 0.000 1.363 246 I CB -0.182 37.865 38.000 0.078 0.000 1.051 246 I HN 0.069 nan 8.210 nan 0.000 0.413 247 N N 0.824 119.564 118.700 0.067 0.000 2.223 247 N HA -0.122 4.618 4.740 0.001 0.000 0.185 247 N C 1.789 177.352 175.510 0.088 0.000 1.016 247 N CA 1.510 54.552 53.050 -0.013 0.000 0.863 247 N CB -0.229 38.125 38.487 -0.222 0.000 0.983 247 N HN 0.406 nan 8.380 nan 0.000 0.429 248 A N 1.173 124.161 122.820 0.279 0.000 1.855 248 A HA -0.032 4.289 4.320 0.001 0.000 0.213 248 A C 1.998 179.608 177.584 0.043 0.000 1.195 248 A CA 0.958 53.144 52.037 0.248 0.000 0.610 248 A CB -0.441 18.738 19.000 0.299 0.000 0.837 248 A HN 0.241 nan 8.150 nan 0.000 0.444 249 E N 0.192 120.425 120.200 0.055 0.000 2.338 249 E HA -0.189 4.161 4.350 0.001 0.000 0.197 249 E C 1.877 178.488 176.600 0.018 0.000 1.007 249 E CA 1.197 57.604 56.400 0.013 0.000 0.849 249 E CB -0.137 29.585 29.700 0.037 0.000 0.774 249 E HN 0.804 nan 8.360 nan 0.000 0.506 250 K N 1.146 121.567 120.400 0.035 0.000 2.283 250 K HA -0.118 4.202 4.320 0.001 0.000 0.202 250 K C 1.842 178.477 176.600 0.059 0.000 1.048 250 K CA 0.890 57.212 56.287 0.057 0.000 0.948 250 K CB -0.158 32.370 32.500 0.046 0.000 0.742 250 K HN 0.141 nan 8.250 nan 0.000 0.458 251 L N 1.756 122.980 121.223 0.003 0.000 2.131 251 L HA -0.087 4.253 4.340 0.001 0.000 0.210 251 L C 1.372 178.290 176.870 0.081 0.000 1.092 251 L CA 1.642 56.485 54.840 0.005 0.000 0.759 251 L CB -0.716 41.239 42.059 -0.173 0.000 0.903 251 L HN 0.446 nan 8.230 nan 0.000 0.435 252 T N -4.663 109.919 114.554 0.047 0.000 3.313 252 T HA 0.221 4.572 4.350 0.001 0.000 0.263 252 T C 1.073 175.876 174.700 0.171 0.000 0.983 252 T CA -0.601 61.558 62.100 0.098 0.000 0.963 252 T CB 0.476 69.350 68.868 0.010 0.000 1.141 252 T HN 0.028 nan 8.240 nan 0.000 0.526 253 K N 0.730 121.265 120.400 0.226 0.000 2.099 253 K HA 0.269 4.590 4.320 0.001 0.000 0.203 253 K C 0.511 177.325 176.600 0.357 0.000 1.047 253 K CA 0.558 57.006 56.287 0.268 0.000 0.963 253 K CB 0.344 33.005 32.500 0.269 0.000 0.759 253 K HN 0.309 nan 8.250 nan 0.000 0.451 254 V N 2.041 122.141 119.914 0.311 0.000 2.789 254 V HA 0.289 4.409 4.120 0.001 0.000 0.311 254 V C -0.449 175.592 176.094 -0.088 0.000 1.073 254 V CA -0.895 61.496 62.300 0.151 0.000 0.921 254 V CB 2.686 34.592 31.823 0.138 0.000 1.009 254 V HN 0.130 nan 8.190 nan 0.000 0.426 255 L N 4.934 125.812 121.223 -0.574 0.000 2.326 255 L HA 0.413 4.753 4.340 0.001 0.000 0.278 255 L C -0.441 176.230 176.870 -0.332 0.000 1.092 255 L CA -0.306 53.975 54.840 -0.932 0.000 0.810 255 L CB 0.351 41.651 42.059 -1.264 0.000 1.153 255 L HN 0.880 nan 8.230 nan 0.000 0.439 256 Y N 2.318 122.539 120.300 -0.132 0.000 3.037 256 Y HA -0.171 4.379 4.550 0.001 0.000 0.204 256 Y C -1.923 173.988 175.900 0.018 0.000 1.275 256 Y CA -0.698 57.384 58.100 -0.031 0.000 1.066 256 Y CB -2.389 36.055 38.460 -0.026 0.000 1.305 256 Y HN 0.455 nan 8.280 nan 0.000 0.499 257 P HA -0.032 nan 4.420 nan 0.000 0.267 257 P C 0.568 177.937 177.300 0.116 0.000 1.200 257 P CA -0.090 63.086 63.100 0.126 0.000 0.772 257 P CB 0.756 32.524 31.700 0.113 0.000 0.855 258 N N 2.819 121.570 118.700 0.085 0.000 2.236 258 N HA -0.130 4.611 4.740 0.001 0.000 0.274 258 N C 0.281 175.827 175.510 0.060 0.000 1.339 258 N CA 0.547 53.630 53.050 0.054 0.000 0.845 258 N CB -0.145 38.362 38.487 0.032 0.000 1.091 258 N HN 0.374 nan 8.380 nan 0.000 0.489 259 D N 1.699 122.130 120.400 0.052 0.000 2.559 259 D HA 0.050 4.691 4.640 0.001 0.000 0.234 259 D C 0.445 176.773 176.300 0.048 0.000 1.226 259 D CA -0.197 53.839 54.000 0.062 0.000 0.830 259 D CB -0.973 39.876 40.800 0.081 0.000 1.028 259 D HN 0.497 nan 8.370 nan 0.000 0.492 260 N N 0.016 118.738 118.700 0.037 0.000 2.289 260 N HA -0.043 4.697 4.740 0.001 0.000 0.184 260 N C 0.692 176.254 175.510 0.085 0.000 1.016 260 N CA 0.760 53.839 53.050 0.048 0.000 0.872 260 N CB 0.252 38.771 38.487 0.054 0.000 0.973 260 N HN 0.276 nan 8.380 nan 0.000 0.433 261 A N -0.248 122.631 122.820 0.099 0.000 2.346 261 A HA 0.354 4.674 4.320 0.001 0.000 0.313 261 A C 0.373 178.062 177.584 0.174 0.000 1.140 261 A CA -0.649 51.471 52.037 0.139 0.000 0.826 261 A CB 0.517 19.592 19.000 0.125 0.000 1.332 261 A HN 0.117 nan 8.150 nan 0.000 0.457 262 F N 0.209 120.196 119.950 0.061 0.000 2.134 262 F HA -0.119 4.409 4.527 0.001 0.000 0.299 262 F C 1.988 177.835 175.800 0.079 0.000 1.097 262 F CA 2.458 60.501 58.000 0.071 0.000 1.264 262 F CB 0.112 39.147 39.000 0.057 0.000 1.001 262 F HN 0.632 nan 8.300 nan 0.000 0.479 263 E N 0.317 120.525 120.200 0.012 0.000 2.110 263 E HA -0.124 4.226 4.350 0.001 0.000 0.193 263 E C 2.518 179.062 176.600 -0.093 0.000 0.988 263 E CA 1.102 57.444 56.400 -0.097 0.000 0.804 263 E CB -1.132 28.587 29.700 0.031 0.000 0.745 263 E HN 0.536 nan 8.360 nan 0.000 0.458 264 G N 1.414 110.207 108.800 -0.012 0.000 2.402 264 G HA2 -0.257 3.704 3.960 0.001 0.000 0.216 264 G HA3 -0.257 3.704 3.960 0.001 0.000 0.216 264 G C 1.611 176.538 174.900 0.045 0.000 1.162 264 G CA 0.700 45.818 45.100 0.029 0.000 0.777 264 G HN 0.232 nan 8.290 nan 0.000 0.539 265 K N 0.283 120.703 120.400 0.033 0.000 2.009 265 K HA -0.096 4.225 4.320 0.001 0.000 0.210 265 K C 2.444 179.087 176.600 0.073 0.000 1.049 265 K CA 1.463 57.830 56.287 0.132 0.000 0.929 265 K CB -0.165 32.428 32.500 0.154 0.000 0.714 265 K HN 0.221 nan 8.250 nan 0.000 0.440 266 K N 1.026 121.305 120.400 -0.202 0.000 2.032 266 K HA -0.177 4.143 4.320 0.001 0.000 0.209 266 K C 2.133 178.655 176.600 -0.129 0.000 1.048 266 K CA 1.003 57.135 56.287 -0.259 0.000 0.927 266 K CB -0.203 32.022 32.500 -0.458 0.000 0.712 266 K HN -0.016 nan 8.250 nan 0.000 0.441 267 L N 1.720 122.903 121.223 -0.067 0.000 2.013 267 L HA -0.231 4.110 4.340 0.001 0.000 0.212 267 L C 2.084 178.987 176.870 0.055 0.000 1.073 267 L CA 1.803 56.645 54.840 0.004 0.000 0.753 267 L CB -0.502 41.578 42.059 0.034 0.000 0.890 267 L HN 0.161 nan 8.230 nan 0.000 0.432 268 R N -1.179 119.384 120.500 0.106 0.000 2.081 268 R HA -0.171 4.169 4.340 0.001 0.000 0.235 268 R C 2.193 178.552 176.300 0.099 0.000 1.131 268 R CA 1.603 57.817 56.100 0.191 0.000 0.960 268 R CB -0.722 29.780 30.300 0.336 0.000 0.856 268 R HN 0.344 nan 8.270 nan 0.000 0.436 269 L N 0.962 122.094 121.223 -0.151 0.000 2.046 269 L HA -0.148 4.193 4.340 0.001 0.000 0.208 269 L C 2.123 178.904 176.870 -0.148 0.000 1.077 269 L CA 1.726 56.298 54.840 -0.447 0.000 0.747 269 L CB -0.311 41.206 42.059 -0.903 0.000 0.896 269 L HN 0.166 nan 8.230 nan 0.000 0.432 270 M N -1.514 118.051 119.600 -0.058 0.000 2.159 270 M HA -0.242 4.239 4.480 0.001 0.000 0.263 270 M C 2.246 178.647 176.300 0.169 0.000 1.063 270 M CA 1.674 57.020 55.300 0.077 0.000 1.110 270 M CB -0.478 32.157 32.600 0.059 0.000 1.374 270 M HN 0.365 nan 8.290 nan 0.000 0.411 271 Q N 0.171 120.065 119.800 0.158 0.000 2.084 271 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 271 Q C 2.067 178.208 176.000 0.237 0.000 0.978 271 Q CA 1.444 57.390 55.803 0.238 0.000 0.844 271 Q CB -0.179 28.702 28.738 0.238 0.000 0.898 271 Q HN 0.622 nan 8.270 nan 0.000 0.426 272 Q N -0.480 119.427 119.800 0.178 0.000 2.050 272 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 272 Q C 1.881 177.944 176.000 0.105 0.000 0.980 272 Q CA 1.556 57.451 55.803 0.153 0.000 0.840 272 Q CB -0.271 28.564 28.738 0.161 0.000 0.898 272 Q HN 0.391 nan 8.270 nan 0.000 0.424 273 Y N 0.687 120.978 120.300 -0.015 0.000 2.145 273 Y HA -0.283 4.268 4.550 0.001 0.000 0.286 273 Y C 1.966 177.861 175.900 -0.009 0.000 1.145 273 Y CA 1.345 59.406 58.100 -0.064 0.000 1.148 273 Y CB -0.633 37.760 38.460 -0.111 0.000 0.981 273 Y HN 0.127 nan 8.280 nan 0.000 0.507 274 F N 1.481 121.283 119.950 -0.247 0.000 2.087 274 F HA -0.328 4.200 4.527 0.001 0.000 0.299 274 F C 2.618 178.225 175.800 -0.322 0.000 1.100 274 F CA 2.608 60.428 58.000 -0.300 0.000 1.226 274 F CB -0.978 37.975 39.000 -0.078 0.000 0.983 274 F HN 0.298 nan 8.300 nan 0.000 0.479 275 Q N -0.556 119.014 119.800 -0.383 0.000 2.050 275 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 275 Q C 2.361 178.114 176.000 -0.411 0.000 0.980 275 Q CA 2.357 57.945 55.803 -0.357 0.000 0.840 275 Q CB -0.513 28.239 28.738 0.024 0.000 0.898 275 Q HN 0.564 nan 8.270 nan 0.000 0.424 276 C N -0.088 119.036 119.300 -0.292 0.000 2.457 276 C HA 0.072 4.532 4.460 0.001 0.000 0.278 276 C C 2.799 177.589 174.990 -0.334 0.000 1.309 276 C CA 0.613 59.500 59.018 -0.219 0.000 1.735 276 C CB -1.091 26.598 27.740 -0.084 0.000 1.992 276 C HN 0.698 nan 8.230 nan 0.000 0.493 277 A N -0.704 121.797 122.820 -0.532 0.000 1.897 277 A HA -0.163 4.157 4.320 0.001 0.000 0.215 277 A C 2.125 179.375 177.584 -0.557 0.000 1.181 277 A CA 2.015 53.759 52.037 -0.488 0.000 0.620 277 A CB -1.033 17.550 19.000 -0.694 0.000 0.821 277 A HN 0.649 nan 8.150 nan 0.000 0.443 278 C N -0.554 118.194 119.300 -0.921 0.000 2.432 278 C HA -0.077 4.384 4.460 0.001 0.000 0.277 278 C C 3.274 177.675 174.990 -0.982 0.000 1.249 278 C CA 1.397 59.602 59.018 -1.354 0.000 1.725 278 C CB -1.254 24.866 27.740 -2.700 0.000 2.028 278 C HN 0.615 nan 8.230 nan 0.000 0.477 279 S N 0.697 115.957 115.700 -0.734 0.000 2.356 279 S HA -0.136 4.334 4.470 0.001 0.000 0.223 279 S C 1.914 176.269 174.600 -0.408 0.000 1.032 279 S CA 1.458 59.333 58.200 -0.541 0.000 1.005 279 S CB -0.430 62.421 63.200 -0.581 0.000 0.867 279 S HN 0.477 nan 8.310 nan 0.000 0.449 280 V N 2.078 121.827 119.914 -0.274 0.000 2.332 280 V HA -0.225 3.896 4.120 0.001 0.000 0.248 280 V C 2.635 178.664 176.094 -0.108 0.000 1.055 280 V CA 1.776 63.995 62.300 -0.135 0.000 1.038 280 V CB -1.162 30.636 31.823 -0.041 0.000 0.651 280 V HN 0.555 nan 8.190 nan 0.000 0.450 281 A N -0.295 122.439 122.820 -0.142 0.000 1.969 281 A HA -0.256 4.064 4.320 0.001 0.000 0.218 281 A C 2.016 179.585 177.584 -0.026 0.000 1.169 281 A CA 1.980 53.967 52.037 -0.084 0.000 0.635 281 A CB -0.588 18.334 19.000 -0.129 0.000 0.810 281 A HN 0.598 nan 8.150 nan 0.000 0.445 282 D N -0.081 120.317 120.400 -0.002 0.000 2.097 282 D HA -0.116 4.525 4.640 0.001 0.000 0.197 282 D C 1.743 178.117 176.300 0.124 0.000 0.984 282 D CA 1.391 55.485 54.000 0.157 0.000 0.826 282 D CB -0.201 40.854 40.800 0.424 0.000 0.973 282 D HN 0.458 nan 8.370 nan 0.000 0.460 283 I N 0.136 120.746 120.570 0.068 0.000 2.118 283 I HA -0.285 3.885 4.170 0.001 0.000 0.241 283 I C 2.388 178.522 176.117 0.029 0.000 1.070 283 I CA 0.899 62.231 61.300 0.052 0.000 1.327 283 I CB -0.282 37.712 38.000 -0.010 0.000 1.034 283 I HN 0.143 nan 8.210 nan 0.000 0.405 284 L N -0.024 121.201 121.223 0.003 0.000 2.056 284 L HA -0.201 4.140 4.340 0.001 0.000 0.207 284 L C 2.771 179.692 176.870 0.086 0.000 1.078 284 L CA 1.201 56.052 54.840 0.018 0.000 0.749 284 L CB -0.612 41.444 42.059 -0.005 0.000 0.901 284 L HN 0.234 nan 8.230 nan 0.000 0.433 285 R N 0.538 121.077 120.500 0.066 0.000 2.083 285 R HA -0.222 4.119 4.340 0.001 0.000 0.237 285 R C 2.516 178.870 176.300 0.090 0.000 1.137 285 R CA 1.755 57.901 56.100 0.077 0.000 0.951 285 R CB -0.189 30.145 30.300 0.057 0.000 0.851 285 R HN 0.206 nan 8.270 nan 0.000 0.434 286 R N -0.883 119.657 120.500 0.065 0.000 2.096 286 R HA -0.206 4.135 4.340 0.001 0.000 0.235 286 R C 2.207 178.511 176.300 0.007 0.000 1.127 286 R CA 2.074 58.184 56.100 0.016 0.000 0.968 286 R CB -0.366 29.923 30.300 -0.018 0.000 0.861 286 R HN 0.397 nan 8.270 nan 0.000 0.440 287 H N -0.506 118.522 119.070 -0.070 0.000 2.321 287 H HA -0.164 4.393 4.556 0.001 0.000 0.300 287 H C 2.178 177.445 175.328 -0.101 0.000 1.087 287 H CA 2.243 58.220 56.048 -0.118 0.000 1.319 287 H CB -0.259 29.441 29.762 -0.103 0.000 1.379 287 H HN 0.294 nan 8.280 nan 0.000 0.501 288 H N 0.061 119.118 119.070 -0.021 0.000 2.352 288 H HA -0.122 4.434 4.556 0.001 0.000 0.299 288 H C 2.086 177.350 175.328 -0.106 0.000 1.097 288 H CA 1.447 57.453 56.048 -0.071 0.000 1.311 288 H CB -0.066 29.692 29.762 -0.007 0.000 1.377 288 H HN 0.322 nan 8.280 nan 0.000 0.504 289 L N 0.900 122.108 121.223 -0.025 0.000 2.131 289 L HA -0.091 4.250 4.340 0.001 0.000 0.210 289 L C 2.566 179.329 176.870 -0.179 0.000 1.092 289 L CA 1.502 56.290 54.840 -0.086 0.000 0.759 289 L CB -1.426 40.615 42.059 -0.030 0.000 0.903 289 L HN 0.301 nan 8.230 nan 0.000 0.435 290 A N -1.290 121.398 122.820 -0.220 0.000 2.235 290 A HA 0.298 4.619 4.320 0.001 0.000 0.208 290 A C 1.688 179.087 177.584 -0.308 0.000 1.172 290 A CA 0.831 52.715 52.037 -0.254 0.000 0.786 290 A CB -0.469 18.359 19.000 -0.287 0.000 0.804 290 A HN 0.568 nan 8.150 nan 0.000 0.479 291 G N -0.907 107.686 108.800 -0.345 0.000 2.157 291 G HA2 -0.260 3.701 3.960 0.001 0.000 0.248 291 G HA3 -0.260 3.701 3.960 0.001 0.000 0.248 291 G C 0.289 174.971 174.900 -0.364 0.000 0.979 291 G CA 0.325 45.229 45.100 -0.327 0.000 0.650 291 G HN 0.649 nan 8.290 nan 0.000 0.529 292 R N 0.043 120.224 120.500 -0.531 0.000 2.500 292 R HA 0.607 4.948 4.340 0.001 0.000 0.275 292 R C 0.151 176.160 176.300 -0.484 0.000 1.051 292 R CA -0.605 55.096 56.100 -0.666 0.000 1.088 292 R CB 0.621 30.145 30.300 -1.293 0.000 1.063 292 R HN -0.031 nan 8.270 nan 0.000 0.511 293 K N 1.712 121.935 120.400 -0.294 0.000 2.098 293 K HA 0.106 4.427 4.320 0.001 0.000 0.261 293 K C 0.827 177.420 176.600 -0.012 0.000 0.987 293 K CA -0.621 55.590 56.287 -0.127 0.000 0.916 293 K CB 0.933 33.357 32.500 -0.127 0.000 1.039 293 K HN 0.294 nan 8.250 nan 0.000 0.455 294 L N 2.785 124.014 121.223 0.010 0.000 2.046 294 L HA -0.173 4.167 4.340 0.001 0.000 0.208 294 L C 2.369 179.198 176.870 -0.068 0.000 1.077 294 L CA 1.891 56.717 54.840 -0.024 0.000 0.747 294 L CB -0.816 41.185 42.059 -0.097 0.000 0.896 294 L HN 0.812 nan 8.230 nan 0.000 0.432 295 H N -0.257 118.829 119.070 0.026 0.000 2.518 295 H HA -0.121 4.435 4.556 0.001 0.000 0.289 295 H C 1.134 176.486 175.328 0.039 0.000 1.051 295 H CA 1.298 57.356 56.048 0.017 0.000 1.280 295 H CB -0.281 29.495 29.762 0.024 0.000 1.380 295 H HN 0.693 nan 8.280 nan 0.000 0.566 296 E N 1.164 121.108 120.200 -0.427 0.000 2.451 296 E HA 0.064 4.415 4.350 0.001 0.000 0.194 296 E C 1.749 178.407 176.600 0.095 0.000 1.027 296 E CA -0.341 55.990 56.400 -0.116 0.000 0.914 296 E CB -0.024 29.614 29.700 -0.103 0.000 1.054 296 E HN 0.313 nan 8.360 nan 0.000 0.461 297 L N 1.108 122.268 121.223 -0.105 0.000 2.021 297 L HA -0.245 4.095 4.340 0.001 0.000 0.215 297 L C 2.359 179.149 176.870 -0.133 0.000 1.074 297 L CA 2.270 56.901 54.840 -0.347 0.000 0.760 297 L CB -0.581 41.214 42.059 -0.440 0.000 0.889 297 L HN 0.398 nan 8.230 nan 0.000 0.433 298 A N -1.059 121.682 122.820 -0.132 0.000 2.121 298 A HA -0.178 4.142 4.320 0.001 0.000 0.218 298 A C 1.660 179.170 177.584 -0.122 0.000 1.154 298 A CA 1.412 53.362 52.037 -0.146 0.000 0.679 298 A CB -0.375 18.517 19.000 -0.180 0.000 0.795 298 A HN 0.504 nan 8.150 nan 0.000 0.458 299 D N -1.831 118.515 120.400 -0.090 0.000 2.277 299 D HA -0.038 4.603 4.640 0.001 0.000 0.208 299 D C 0.796 176.900 176.300 -0.326 0.000 0.962 299 D CA 1.122 54.985 54.000 -0.228 0.000 0.865 299 D CB -0.058 40.545 40.800 -0.329 0.000 0.939 299 D HN 0.659 nan 8.370 nan 0.000 0.510 300 Y N 0.037 120.339 120.300 0.003 0.000 2.467 300 Y HA 0.214 4.765 4.550 0.001 0.000 0.259 300 Y C 0.567 176.494 175.900 0.046 0.000 1.084 300 Y CA 0.001 58.129 58.100 0.047 0.000 1.275 300 Y CB 1.080 39.615 38.460 0.125 0.000 1.208 300 Y HN -0.287 nan 8.280 nan 0.000 0.511 301 E N 0.464 120.742 120.200 0.129 0.000 2.272 301 E HA 0.477 4.828 4.350 0.001 0.000 0.269 301 E C -1.440 175.151 176.600 -0.015 0.000 0.877 301 E CA -0.599 55.840 56.400 0.064 0.000 0.755 301 E CB 3.214 32.912 29.700 -0.002 0.000 1.192 301 E HN -0.154 nan 8.360 nan 0.000 0.422 302 V N 3.750 123.661 119.914 -0.004 0.000 2.735 302 V HA 0.556 4.676 4.120 0.001 0.000 0.310 302 V C -1.087 174.998 176.094 -0.015 0.000 1.061 302 V CA -0.691 61.614 62.300 0.007 0.000 0.913 302 V CB 1.646 33.528 31.823 0.098 0.000 1.005 302 V HN 0.573 nan 8.190 nan 0.000 0.428 303 I N 5.170 125.750 120.570 0.015 0.000 2.411 303 I HA 0.411 4.581 4.170 0.001 0.000 0.284 303 I C -0.693 175.541 176.117 0.194 0.000 1.012 303 I CA -0.626 60.716 61.300 0.069 0.000 1.119 303 I CB 1.751 39.743 38.000 -0.013 0.000 1.261 303 I HN 0.567 nan 8.210 nan 0.000 0.448 304 Q N 6.867 126.766 119.800 0.166 0.000 2.349 304 Q HA 0.426 4.767 4.340 0.001 0.000 0.254 304 Q C -1.153 174.897 176.000 0.083 0.000 0.980 304 Q CA -0.089 55.827 55.803 0.189 0.000 0.924 304 Q CB 0.883 29.780 28.738 0.264 0.000 1.209 304 Q HN 0.572 nan 8.270 nan 0.000 0.445 305 L N 4.248 125.569 121.223 0.162 0.000 2.261 305 L HA 0.425 4.765 4.340 0.001 0.000 0.289 305 L C -0.080 176.898 176.870 0.180 0.000 1.059 305 L CA -0.473 54.466 54.840 0.164 0.000 0.816 305 L CB 0.547 42.716 42.059 0.183 0.000 1.191 305 L HN 0.512 nan 8.230 nan 0.000 0.431 306 N N 4.240 123.012 118.700 0.121 0.000 2.437 306 N HA 0.178 4.919 4.740 0.001 0.000 0.259 306 N C -0.341 175.323 175.510 0.256 0.000 0.983 306 N CA -0.369 52.811 53.050 0.217 0.000 0.937 306 N CB 1.362 39.905 38.487 0.093 0.000 1.122 306 N HN 0.612 nan 8.380 nan 0.000 0.499 307 D N 0.014 120.615 120.400 0.336 0.000 3.819 307 D HA -0.216 4.425 4.640 0.001 0.000 0.273 307 D C 1.189 177.627 176.300 0.230 0.000 2.114 307 D CA 1.675 55.825 54.000 0.251 0.000 1.109 307 D CB -0.192 40.581 40.800 -0.045 0.000 0.950 307 D HN 0.610 nan 8.370 nan 0.000 1.132 308 T N -3.532 111.047 114.554 0.042 0.000 3.088 308 T HA -0.010 4.340 4.350 0.001 0.000 0.259 308 T C 1.520 176.286 174.700 0.110 0.000 1.122 308 T CA 1.662 63.792 62.100 0.050 0.000 1.095 308 T CB -0.423 68.467 68.868 0.037 0.000 0.930 308 T HN 0.481 nan 8.240 nan 0.000 0.508 309 H N 2.936 122.142 119.070 0.226 0.000 2.325 309 H HA -0.043 4.514 4.556 0.001 0.000 0.293 309 H C -0.804 174.633 175.328 0.182 0.000 1.106 309 H CA 1.638 57.827 56.048 0.236 0.000 1.247 309 H CB -1.143 28.770 29.762 0.252 0.000 1.359 309 H HN 0.457 nan 8.280 nan 0.000 0.488 310 P HA 0.122 nan 4.420 nan 0.000 0.259 310 P C 0.437 177.759 177.300 0.037 0.000 1.530 310 P CA 0.337 63.522 63.100 0.142 0.000 1.022 310 P CB 0.444 32.231 31.700 0.146 0.000 1.514 311 T N 0.585 115.155 114.554 0.028 0.000 2.685 311 T HA -0.200 4.151 4.350 0.001 0.000 0.268 311 T C 1.548 176.184 174.700 -0.108 0.000 1.034 311 T CA 1.299 63.352 62.100 -0.078 0.000 1.149 311 T CB -0.733 68.122 68.868 -0.022 0.000 0.860 311 T HN 0.093 nan 8.240 nan 0.000 0.449 312 I N 1.393 121.944 120.570 -0.031 0.000 2.700 312 I HA -0.049 4.122 4.170 0.001 0.000 0.261 312 I C 2.334 178.440 176.117 -0.019 0.000 1.219 312 I CA 0.330 61.613 61.300 -0.028 0.000 1.463 312 I CB -0.551 37.430 38.000 -0.031 0.000 1.092 312 I HN 0.192 nan 8.210 nan 0.000 0.452 313 A N 0.493 123.271 122.820 -0.069 0.000 1.948 313 A HA -0.229 4.092 4.320 0.001 0.000 0.220 313 A C 2.281 179.763 177.584 -0.170 0.000 1.177 313 A CA 2.112 54.113 52.037 -0.061 0.000 0.636 313 A CB -0.903 18.074 19.000 -0.038 0.000 0.815 313 A HN 0.503 nan 8.150 nan 0.000 0.449 314 I N 0.286 120.560 120.570 -0.493 0.000 2.076 314 I HA -0.184 3.986 4.170 0.001 0.000 0.237 314 I C -0.368 175.695 176.117 -0.091 0.000 1.059 314 I CA 1.863 62.833 61.300 -0.549 0.000 1.317 314 I CB -1.048 36.608 38.000 -0.574 0.000 1.037 314 I HN 0.252 nan 8.210 nan 0.000 0.398 315 P HA -0.174 nan 4.420 nan 0.000 0.221 315 P C 1.291 178.696 177.300 0.174 0.000 1.150 315 P CA 1.464 64.641 63.100 0.128 0.000 0.800 315 P CB -0.003 31.809 31.700 0.187 0.000 0.787 316 E N 0.371 120.730 120.200 0.266 0.000 2.051 316 E HA -0.180 4.171 4.350 0.001 0.000 0.192 316 E C 1.910 178.617 176.600 0.178 0.000 0.991 316 E CA 0.913 57.505 56.400 0.319 0.000 0.799 316 E CB -1.284 28.631 29.700 0.357 0.000 0.748 316 E HN -0.000 nan 8.360 nan 0.000 0.449 317 L N 0.254 121.576 121.223 0.165 0.000 2.046 317 L HA -0.070 4.270 4.340 0.001 0.000 0.208 317 L C 2.209 179.126 176.870 0.077 0.000 1.077 317 L CA 1.600 56.523 54.840 0.137 0.000 0.747 317 L CB -0.653 41.539 42.059 0.221 0.000 0.896 317 L HN 0.300 nan 8.230 nan 0.000 0.432 318 L N -0.815 120.440 121.223 0.053 0.000 2.042 318 L HA -0.248 4.092 4.340 0.001 0.000 0.210 318 L C 2.805 179.683 176.870 0.013 0.000 1.076 318 L CA 1.616 56.445 54.840 -0.018 0.000 0.749 318 L CB -0.573 41.450 42.059 -0.061 0.000 0.893 318 L HN 0.313 nan 8.230 nan 0.000 0.432 319 R N -0.103 120.410 120.500 0.020 0.000 2.073 319 R HA -0.158 4.183 4.340 0.001 0.000 0.234 319 R C 2.223 178.564 176.300 0.068 0.000 1.134 319 R CA 1.709 57.812 56.100 0.005 0.000 0.952 319 R CB -0.215 30.017 30.300 -0.112 0.000 0.850 319 R HN 0.163 nan 8.270 nan 0.000 0.433 320 V N 1.157 121.129 119.914 0.097 0.000 2.343 320 V HA -0.236 3.885 4.120 0.001 0.000 0.247 320 V C 2.268 178.481 176.094 0.197 0.000 1.051 320 V CA 1.263 63.645 62.300 0.137 0.000 1.036 320 V CB -0.371 31.540 31.823 0.146 0.000 0.654 320 V HN 0.275 nan 8.190 nan 0.000 0.451 321 L N -0.794 120.520 121.223 0.152 0.000 2.056 321 L HA -0.051 4.290 4.340 0.001 0.000 0.207 321 L C 2.125 179.084 176.870 0.148 0.000 1.078 321 L CA 1.771 56.706 54.840 0.159 0.000 0.749 321 L CB -0.847 41.236 42.059 0.041 0.000 0.901 321 L HN 0.246 nan 8.230 nan 0.000 0.433 322 I N -0.625 120.006 120.570 0.102 0.000 2.193 322 I HA -0.232 3.938 4.170 0.001 0.000 0.240 322 I C 1.915 178.095 176.117 0.105 0.000 1.084 322 I CA 1.108 62.475 61.300 0.110 0.000 1.365 322 I CB -0.274 37.802 38.000 0.128 0.000 1.064 322 I HN 0.191 nan 8.210 nan 0.000 0.410 323 D N 0.504 120.958 120.400 0.090 0.000 2.162 323 D HA -0.109 4.532 4.640 0.001 0.000 0.203 323 D C 1.998 178.314 176.300 0.027 0.000 0.967 323 D CA 1.093 55.135 54.000 0.071 0.000 0.840 323 D CB -0.093 40.758 40.800 0.084 0.000 0.972 323 D HN 0.422 nan 8.370 nan 0.000 0.482 324 E N -0.636 119.557 120.200 -0.011 0.000 2.307 324 E HA 0.034 4.384 4.350 0.001 0.000 0.195 324 E C 0.909 177.318 176.600 -0.318 0.000 0.975 324 E CA 0.410 56.703 56.400 -0.179 0.000 0.878 324 E CB 0.318 29.866 29.700 -0.253 0.000 0.845 324 E HN 0.418 nan 8.360 nan 0.000 0.488 325 H N 0.162 119.255 119.070 0.037 0.000 2.674 325 H HA 0.197 4.753 4.556 0.001 0.000 0.274 325 H C -0.108 175.248 175.328 0.047 0.000 1.121 325 H CA 0.020 56.091 56.048 0.038 0.000 1.132 325 H CB 0.787 30.572 29.762 0.038 0.000 1.606 325 H HN 0.037 nan 8.280 nan 0.000 0.558 326 Q N 0.375 120.247 119.800 0.119 0.000 2.437 326 Q HA -0.194 4.146 4.340 0.001 0.000 0.274 326 Q C -0.141 175.924 176.000 0.109 0.000 1.165 326 Q CA 0.544 56.407 55.803 0.099 0.000 0.925 326 Q CB -1.417 27.367 28.738 0.076 0.000 1.327 326 Q HN 0.514 nan 8.270 nan 0.000 0.505 327 M N 0.235 119.907 119.600 0.121 0.000 2.241 327 M HA 0.175 4.655 4.480 0.001 0.000 0.335 327 M C 0.870 177.241 176.300 0.118 0.000 1.122 327 M CA 0.147 55.511 55.300 0.107 0.000 1.164 327 M CB 0.850 33.504 32.600 0.089 0.000 1.459 327 M HN 0.316 nan 8.290 nan 0.000 0.461 328 S N 1.785 117.557 115.700 0.121 0.000 2.584 328 S HA 0.000 4.471 4.470 0.001 0.000 0.270 328 S C 0.927 175.649 174.600 0.204 0.000 1.346 328 S CA -0.760 57.537 58.200 0.162 0.000 1.018 328 S CB 0.580 63.868 63.200 0.146 0.000 0.899 328 S HN 0.954 nan 8.310 nan 0.000 0.542 329 W N 1.883 123.238 121.300 0.092 0.000 2.304 329 W HA -0.229 4.431 4.660 0.001 0.000 0.315 329 W C 0.868 177.482 176.519 0.157 0.000 1.233 329 W CA 2.360 59.772 57.345 0.112 0.000 1.261 329 W CB -0.657 28.843 29.460 0.067 0.000 1.150 329 W HN 0.769 nan 8.180 nan 0.000 0.494 330 D N 0.122 120.710 120.400 0.312 0.000 2.144 330 D HA -0.158 4.483 4.640 0.001 0.000 0.200 330 D C 1.595 177.993 176.300 0.163 0.000 0.978 330 D CA 1.608 55.757 54.000 0.249 0.000 0.833 330 D CB -0.603 40.332 40.800 0.224 0.000 0.961 330 D HN 0.170 nan 8.370 nan 0.000 0.470 331 D N 0.535 121.005 120.400 0.116 0.000 2.123 331 D HA -0.037 4.603 4.640 0.001 0.000 0.200 331 D C 2.066 178.388 176.300 0.038 0.000 0.976 331 D CA 1.068 55.116 54.000 0.080 0.000 0.831 331 D CB -0.353 40.492 40.800 0.075 0.000 0.974 331 D HN 0.096 nan 8.370 nan 0.000 0.469 332 A N 1.159 123.976 122.820 -0.005 0.000 1.883 332 A HA -0.201 4.119 4.320 0.001 0.000 0.217 332 A C 2.145 179.665 177.584 -0.106 0.000 1.186 332 A CA 1.336 53.327 52.037 -0.076 0.000 0.624 332 A CB -1.243 17.675 19.000 -0.138 0.000 0.822 332 A HN 0.441 nan 8.150 nan 0.000 0.444 333 W N 0.601 121.703 121.300 -0.331 0.000 2.388 333 W HA -0.108 4.553 4.660 0.001 0.000 0.294 333 W C 2.354 178.817 176.519 -0.092 0.000 1.212 333 W CA 1.682 58.869 57.345 -0.262 0.000 1.271 333 W CB -0.279 28.999 29.460 -0.304 0.000 1.126 333 W HN 0.451 nan 8.180 nan 0.000 0.535 334 A N 0.864 123.733 122.820 0.082 0.000 1.948 334 A HA -0.226 4.095 4.320 0.001 0.000 0.220 334 A C 1.992 179.527 177.584 -0.082 0.000 1.177 334 A CA 2.134 54.189 52.037 0.030 0.000 0.636 334 A CB -0.938 18.107 19.000 0.075 0.000 0.815 334 A HN 0.336 nan 8.150 nan 0.000 0.449 335 I N -0.288 120.221 120.570 -0.101 0.000 2.141 335 I HA -0.193 3.977 4.170 0.001 0.000 0.236 335 I C 2.924 178.909 176.117 -0.220 0.000 1.071 335 I CA 1.768 62.984 61.300 -0.141 0.000 1.345 335 I CB -0.729 37.199 38.000 -0.120 0.000 1.066 335 I HN 0.499 nan 8.210 nan 0.000 0.406 336 T N -1.137 113.266 114.554 -0.253 0.000 2.759 336 T HA -0.203 4.148 4.350 0.001 0.000 0.269 336 T C 1.900 176.452 174.700 -0.247 0.000 1.042 336 T CA 1.614 63.582 62.100 -0.220 0.000 1.140 336 T CB -0.932 67.851 68.868 -0.141 0.000 0.864 336 T HN 0.445 nan 8.240 nan 0.000 0.455 337 S N 0.989 116.386 115.700 -0.505 0.000 2.515 337 S HA 0.082 4.553 4.470 0.001 0.000 0.231 337 S C 1.658 176.199 174.600 -0.097 0.000 0.987 337 S CA 0.121 58.057 58.200 -0.441 0.000 0.936 337 S CB -0.219 62.574 63.200 -0.679 0.000 0.766 337 S HN 0.347 nan 8.310 nan 0.000 0.528 338 K N 0.595 120.923 120.400 -0.120 0.000 2.358 338 K HA 0.304 4.625 4.320 0.001 0.000 0.200 338 K C 0.883 177.383 176.600 -0.165 0.000 1.030 338 K CA 0.320 56.516 56.287 -0.152 0.000 1.097 338 K CB 0.259 32.637 32.500 -0.204 0.000 0.862 338 K HN 0.381 nan 8.250 nan 0.000 0.534 339 T N -0.106 114.400 114.554 -0.080 0.000 3.038 339 T HA 0.236 4.586 4.350 0.001 0.000 0.244 339 T C 0.085 174.736 174.700 -0.083 0.000 1.016 339 T CA 0.148 62.124 62.100 -0.207 0.000 1.098 339 T CB 0.124 68.680 68.868 -0.520 0.000 0.954 339 T HN -0.086 nan 8.240 nan 0.000 0.469 340 F N 1.845 121.891 119.950 0.161 0.000 2.394 340 F HA 0.697 5.224 4.527 0.001 0.000 0.340 340 F C 0.454 176.164 175.800 -0.149 0.000 1.105 340 F CA -1.294 56.732 58.000 0.044 0.000 1.124 340 F CB 0.784 39.741 39.000 -0.071 0.000 1.145 340 F HN 0.002 nan 8.300 nan 0.000 0.505 341 A N 2.908 125.741 122.820 0.022 0.000 2.380 341 A HA 0.705 5.026 4.320 0.001 0.000 0.315 341 A C -2.165 175.450 177.584 0.052 0.000 1.101 341 A CA -0.638 51.248 52.037 -0.251 0.000 0.771 341 A CB 1.138 19.953 19.000 -0.307 0.000 1.287 341 A HN 0.681 nan 8.150 nan 0.000 0.436 342 Y N 0.985 121.202 120.300 -0.138 0.000 2.350 342 Y HA 0.612 5.163 4.550 0.001 0.000 0.338 342 Y C -0.501 175.395 175.900 -0.007 0.000 0.961 342 Y CA -0.488 57.574 58.100 -0.063 0.000 1.100 342 Y CB 1.826 40.208 38.460 -0.132 0.000 1.179 342 Y HN 0.560 nan 8.280 nan 0.000 0.454 343 T N 6.898 121.209 114.554 -0.405 0.000 2.767 343 T HA 0.225 4.576 4.350 0.001 0.000 0.284 343 T C -0.601 173.622 174.700 -0.794 0.000 0.973 343 T CA -0.789 60.997 62.100 -0.524 0.000 0.996 343 T CB 0.366 69.097 68.868 -0.229 0.000 0.927 343 T HN 0.685 nan 8.240 nan 0.000 0.456 344 N N 2.003 120.297 118.700 -0.676 0.000 2.426 344 N HA 0.096 4.837 4.740 0.001 0.000 0.275 344 N C 0.030 175.503 175.510 -0.062 0.000 1.019 344 N CA -0.339 52.573 53.050 -0.230 0.000 0.941 344 N CB 0.624 39.145 38.487 0.056 0.000 1.123 344 N HN 0.665 nan 8.380 nan 0.000 0.486 345 H N 1.659 120.768 119.070 0.065 0.000 2.755 345 H HA 0.162 4.719 4.556 0.001 0.000 0.273 345 H C -0.221 175.040 175.328 -0.112 0.000 1.055 345 H CA 0.091 56.136 56.048 -0.005 0.000 1.191 345 H CB 1.104 30.876 29.762 0.016 0.000 1.536 345 H HN 0.533 nan 8.280 nan 0.000 0.529 346 T N 0.047 114.634 114.554 0.054 0.000 3.033 346 T HA 0.149 4.499 4.350 0.001 0.000 0.362 346 T C 0.201 174.938 174.700 0.061 0.000 1.723 346 T CA -0.603 61.477 62.100 -0.034 0.000 1.110 346 T CB 0.506 69.356 68.868 -0.031 0.000 1.515 346 T HN 0.067 nan 8.240 nan 0.000 0.484 347 L N 2.708 123.939 121.223 0.013 0.000 2.554 347 L HA 0.279 4.619 4.340 0.001 0.000 0.226 347 L C 1.260 178.107 176.870 -0.040 0.000 1.137 347 L CA 0.011 54.848 54.840 -0.005 0.000 0.863 347 L CB -0.182 41.863 42.059 -0.024 0.000 0.985 347 L HN 0.502 nan 8.230 nan 0.000 0.451 348 M N 1.511 121.071 119.600 -0.066 0.000 2.248 348 M HA -0.012 4.469 4.480 0.001 0.000 0.343 348 M C -1.019 175.294 176.300 0.022 0.000 1.243 348 M CA -1.449 53.847 55.300 -0.006 0.000 1.025 348 M CB -0.110 32.510 32.600 0.032 0.000 1.759 348 M HN -0.182 nan 8.290 nan 0.000 0.452 349 P HA -0.210 nan 4.420 nan 0.000 0.216 349 P C 1.003 178.291 177.300 -0.019 0.000 1.150 349 P CA 1.512 64.612 63.100 0.000 0.000 0.843 349 P CB -0.291 31.407 31.700 -0.003 0.000 0.787 350 E N 0.665 120.861 120.200 -0.007 0.000 2.209 350 E HA -0.163 4.188 4.350 0.001 0.000 0.196 350 E C 1.602 178.188 176.600 -0.023 0.000 0.993 350 E CA 1.677 58.058 56.400 -0.031 0.000 0.819 350 E CB -1.019 28.666 29.700 -0.026 0.000 0.745 350 E HN 0.229 nan 8.360 nan 0.000 0.477 351 A N 0.954 123.770 122.820 -0.007 0.000 2.275 351 A HA 0.276 4.597 4.320 0.001 0.000 0.212 351 A C 1.160 178.737 177.584 -0.011 0.000 1.201 351 A CA -0.261 51.757 52.037 -0.031 0.000 0.843 351 A CB 0.009 19.011 19.000 0.004 0.000 0.873 351 A HN 0.156 nan 8.150 nan 0.000 0.492 352 L N 1.459 122.679 121.223 -0.006 0.000 2.599 352 L HA 0.275 4.615 4.340 0.001 0.000 0.241 352 L C -0.523 176.309 176.870 -0.064 0.000 1.207 352 L CA -0.326 54.524 54.840 0.017 0.000 0.987 352 L CB 0.530 42.613 42.059 0.040 0.000 1.318 352 L HN 0.256 nan 8.230 nan 0.000 0.458 353 E N 2.035 122.174 120.200 -0.103 0.000 2.392 353 E HA 0.299 4.650 4.350 0.001 0.000 0.264 353 E C -0.306 176.072 176.600 -0.370 0.000 1.024 353 E CA 0.051 56.276 56.400 -0.291 0.000 0.903 353 E CB 0.943 30.488 29.700 -0.259 0.000 0.963 353 E HN 0.366 nan 8.360 nan 0.000 0.432 354 R N 2.406 122.558 120.500 -0.579 0.000 2.628 354 R HA 0.386 4.727 4.340 0.001 0.000 0.288 354 R C -1.356 174.572 176.300 -0.620 0.000 0.980 354 R CA -0.690 55.100 56.100 -0.516 0.000 0.891 354 R CB 1.377 31.413 30.300 -0.439 0.000 1.188 354 R HN 0.479 nan 8.270 nan 0.000 0.450 355 W N 1.726 122.984 121.300 -0.069 0.000 2.656 355 W HA 0.278 4.938 4.660 0.001 0.000 0.327 355 W C -0.454 176.060 176.519 -0.009 0.000 1.041 355 W CA -0.797 56.538 57.345 -0.017 0.000 1.229 355 W CB 1.452 30.910 29.460 -0.003 0.000 1.397 355 W HN 0.324 nan 8.180 nan 0.000 0.479 356 D N 1.648 122.196 120.400 0.246 0.000 2.488 356 D HA -0.052 4.589 4.640 0.001 0.000 0.238 356 D C 1.204 177.608 176.300 0.173 0.000 1.138 356 D CA 0.287 54.392 54.000 0.176 0.000 0.873 356 D CB 1.593 42.497 40.800 0.173 0.000 1.183 356 D HN 0.138 nan 8.370 nan 0.000 0.458 357 V N 3.408 123.398 119.914 0.126 0.000 2.324 357 V HA -0.277 3.844 4.120 0.001 0.000 0.250 357 V C 2.460 178.608 176.094 0.090 0.000 1.060 357 V CA 1.809 64.170 62.300 0.102 0.000 1.042 357 V CB -0.368 31.506 31.823 0.084 0.000 0.650 357 V HN 0.644 nan 8.190 nan 0.000 0.450 358 K N -0.421 120.036 120.400 0.096 0.000 2.103 358 K HA -0.229 4.091 4.320 0.001 0.000 0.207 358 K C 2.149 178.815 176.600 0.111 0.000 1.048 358 K CA 1.831 58.172 56.287 0.090 0.000 0.930 358 K CB -0.199 32.353 32.500 0.087 0.000 0.716 358 K HN 0.387 nan 8.250 nan 0.000 0.444 359 L N 0.769 122.081 121.223 0.150 0.000 2.044 359 L HA -0.116 4.225 4.340 0.001 0.000 0.205 359 L C 1.977 178.869 176.870 0.038 0.000 1.075 359 L CA 1.366 56.294 54.840 0.146 0.000 0.747 359 L CB -0.364 41.824 42.059 0.213 0.000 0.903 359 L HN -0.059 nan 8.230 nan 0.000 0.435 360 V N -0.029 119.896 119.914 0.019 0.000 2.427 360 V HA -0.278 3.842 4.120 0.001 0.000 0.248 360 V C 2.640 178.703 176.094 -0.053 0.000 1.051 360 V CA 2.066 64.327 62.300 -0.065 0.000 1.048 360 V CB -0.828 30.971 31.823 -0.041 0.000 0.666 360 V HN 0.515 nan 8.190 nan 0.000 0.456 361 K N 0.468 120.866 120.400 -0.003 0.000 2.057 361 K HA -0.136 4.185 4.320 0.001 0.000 0.207 361 K C 2.183 178.784 176.600 0.002 0.000 1.049 361 K CA 1.647 57.932 56.287 -0.004 0.000 0.931 361 K CB -0.607 31.906 32.500 0.022 0.000 0.714 361 K HN 0.479 nan 8.250 nan 0.000 0.440 362 G N 0.864 109.681 108.800 0.028 0.000 2.402 362 G HA2 -0.187 3.773 3.960 0.001 0.000 0.216 362 G HA3 -0.187 3.773 3.960 0.001 0.000 0.216 362 G C 1.309 176.231 174.900 0.038 0.000 1.162 362 G CA 0.415 45.543 45.100 0.047 0.000 0.777 362 G HN 0.159 nan 8.290 nan 0.000 0.539 363 L N -0.453 120.764 121.223 -0.009 0.000 2.162 363 L HA 0.399 4.740 4.340 0.001 0.000 0.205 363 L C 1.213 178.053 176.870 -0.051 0.000 1.086 363 L CA 1.002 55.827 54.840 -0.026 0.000 0.778 363 L CB -0.238 41.759 42.059 -0.103 0.000 0.928 363 L HN 0.107 nan 8.230 nan 0.000 0.446 364 L N 0.712 121.842 121.223 -0.156 0.000 2.551 364 L HA 0.230 4.570 4.340 0.001 0.000 0.248 364 L C -1.585 175.113 176.870 -0.287 0.000 1.509 364 L CA -0.763 53.897 54.840 -0.301 0.000 0.842 364 L CB 1.230 42.999 42.059 -0.483 0.000 1.087 364 L HN -0.067 nan 8.230 nan 0.000 0.512 365 P HA -0.183 nan 4.420 nan 0.000 0.217 365 P C 1.438 178.566 177.300 -0.288 0.000 1.150 365 P CA 1.076 64.061 63.100 -0.192 0.000 0.832 365 P CB 0.400 32.048 31.700 -0.086 0.000 0.787 366 R N -0.086 120.057 120.500 -0.594 0.000 2.090 366 R HA -0.127 4.214 4.340 0.001 0.000 0.228 366 R C 2.295 178.355 176.300 -0.400 0.000 1.110 366 R CA 1.637 57.434 56.100 -0.506 0.000 0.973 366 R CB -1.587 28.298 30.300 -0.692 0.000 0.869 366 R HN 0.241 nan 8.270 nan 0.000 0.440 367 H N -1.074 117.731 119.070 -0.441 0.000 2.389 367 H HA -0.042 4.514 4.556 0.001 0.000 0.299 367 H C 1.675 176.920 175.328 -0.137 0.000 1.081 367 H CA 1.849 57.744 56.048 -0.256 0.000 1.345 367 H CB -0.154 29.424 29.762 -0.306 0.000 1.393 367 H HN 0.138 nan 8.280 nan 0.000 0.520 368 M N 0.771 120.352 119.600 -0.032 0.000 2.117 368 M HA -0.190 4.291 4.480 0.001 0.000 0.262 368 M C 1.850 178.158 176.300 0.015 0.000 1.065 368 M CA 1.585 56.885 55.300 -0.001 0.000 1.114 368 M CB -0.087 32.504 32.600 -0.015 0.000 1.361 368 M HN 0.225 nan 8.290 nan 0.000 0.408 369 Q N -0.291 119.500 119.800 -0.015 0.000 2.077 369 Q HA -0.214 4.127 4.340 0.001 0.000 0.206 369 Q C 2.119 178.147 176.000 0.047 0.000 0.989 369 Q CA 2.158 57.964 55.803 0.004 0.000 0.853 369 Q CB -0.485 28.244 28.738 -0.016 0.000 0.907 369 Q HN 0.568 nan 8.270 nan 0.000 0.418 370 I N 0.199 120.815 120.570 0.076 0.000 2.286 370 I HA -0.271 3.899 4.170 0.001 0.000 0.248 370 I C 2.130 178.398 176.117 0.251 0.000 1.115 370 I CA 1.016 62.443 61.300 0.211 0.000 1.392 370 I CB -0.156 37.960 38.000 0.194 0.000 1.065 370 I HN 0.195 nan 8.210 nan 0.000 0.418 371 I N 0.618 121.291 120.570 0.172 0.000 2.315 371 I HA -0.269 3.901 4.170 0.001 0.000 0.248 371 I C 2.184 178.396 176.117 0.158 0.000 1.117 371 I CA 1.089 62.494 61.300 0.175 0.000 1.404 371 I CB -0.459 37.622 38.000 0.134 0.000 1.071 371 I HN 0.275 nan 8.210 nan 0.000 0.419 372 N N 0.645 119.412 118.700 0.112 0.000 2.166 372 N HA -0.238 4.502 4.740 0.001 0.000 0.186 372 N C 1.786 177.328 175.510 0.054 0.000 1.019 372 N CA 1.384 54.489 53.050 0.092 0.000 0.856 372 N CB -0.208 38.312 38.487 0.055 0.000 0.993 372 N HN 0.475 nan 8.380 nan 0.000 0.426 373 E N 0.756 120.952 120.200 -0.007 0.000 2.072 373 E HA -0.038 4.313 4.350 0.001 0.000 0.191 373 E C 2.015 178.518 176.600 -0.162 0.000 0.985 373 E CA 0.638 56.917 56.400 -0.201 0.000 0.801 373 E CB -0.084 29.360 29.700 -0.426 0.000 0.750 373 E HN 0.266 nan 8.360 nan 0.000 0.452 374 I N 1.218 121.845 120.570 0.095 0.000 2.163 374 I HA -0.295 3.876 4.170 0.001 0.000 0.243 374 I C 2.440 178.682 176.117 0.208 0.000 1.085 374 I CA 1.295 62.714 61.300 0.198 0.000 1.347 374 I CB -0.472 37.726 38.000 0.330 0.000 1.044 374 I HN 0.242 nan 8.210 nan 0.000 0.408 375 N N 0.503 119.349 118.700 0.243 0.000 2.069 375 N HA -0.177 4.563 4.740 0.001 0.000 0.191 375 N C 1.779 177.511 175.510 0.370 0.000 1.031 375 N CA 2.170 55.447 53.050 0.377 0.000 0.852 375 N CB -0.232 38.454 38.487 0.332 0.000 1.018 375 N HN 0.191 nan 8.380 nan 0.000 0.423 376 T N 0.384 115.035 114.554 0.162 0.000 2.674 376 T HA -0.051 4.299 4.350 0.001 0.000 0.265 376 T C 1.884 176.578 174.700 -0.010 0.000 1.039 376 T CA 1.084 63.206 62.100 0.037 0.000 1.150 376 T CB -0.162 68.680 68.868 -0.043 0.000 0.864 376 T HN 0.272 nan 8.240 nan 0.000 0.427 377 R N 0.036 120.512 120.500 -0.041 0.000 2.103 377 R HA -0.100 4.240 4.340 0.001 0.000 0.242 377 R C 2.208 178.581 176.300 0.122 0.000 1.142 377 R CA 1.564 57.640 56.100 -0.041 0.000 0.960 377 R CB -0.553 29.652 30.300 -0.157 0.000 0.858 377 R HN 0.315 nan 8.270 nan 0.000 0.439 378 F N 2.094 122.097 119.950 0.087 0.000 2.171 378 F HA -0.130 4.398 4.527 0.001 0.000 0.300 378 F C 2.166 178.094 175.800 0.213 0.000 1.090 378 F CA 1.298 59.436 58.000 0.230 0.000 1.293 378 F CB -0.254 38.971 39.000 0.375 0.000 1.013 378 F HN -0.181 nan 8.300 nan 0.000 0.486 379 K N -0.391 119.980 120.400 -0.048 0.000 2.113 379 K HA -0.197 4.124 4.320 0.001 0.000 0.208 379 K C 1.931 178.299 176.600 -0.388 0.000 1.047 379 K CA 1.916 57.839 56.287 -0.608 0.000 0.928 379 K CB -0.318 31.697 32.500 -0.808 0.000 0.716 379 K HN 0.288 nan 8.250 nan 0.000 0.446 380 T N 1.809 116.243 114.554 -0.200 0.000 2.607 380 T HA -0.215 4.136 4.350 0.001 0.000 0.267 380 T C 1.645 176.286 174.700 -0.098 0.000 1.049 380 T CA 1.672 63.695 62.100 -0.128 0.000 1.162 380 T CB -0.293 68.537 68.868 -0.064 0.000 0.863 380 T HN 0.221 nan 8.240 nan 0.000 0.424 381 L N 1.231 122.425 121.223 -0.048 0.000 2.201 381 L HA 0.052 4.392 4.340 0.001 0.000 0.212 381 L C 2.268 179.098 176.870 -0.066 0.000 1.105 381 L CA 1.226 56.060 54.840 -0.010 0.000 0.775 381 L CB -0.486 41.659 42.059 0.143 0.000 0.913 381 L HN 0.087 nan 8.230 nan 0.000 0.440 382 V N -0.223 119.579 119.914 -0.186 0.000 2.548 382 V HA -0.179 3.941 4.120 0.001 0.000 0.249 382 V C 2.560 178.679 176.094 0.043 0.000 1.055 382 V CA 1.527 63.812 62.300 -0.026 0.000 1.065 382 V CB -0.499 31.290 31.823 -0.057 0.000 0.681 382 V HN 0.567 nan 8.190 nan 0.000 0.462 383 E N 1.502 121.644 120.200 -0.097 0.000 2.046 383 E HA -0.216 4.135 4.350 0.001 0.000 0.190 383 E C 2.254 178.829 176.600 -0.042 0.000 0.982 383 E CA 1.620 57.970 56.400 -0.083 0.000 0.800 383 E CB -0.441 29.165 29.700 -0.157 0.000 0.756 383 E HN 0.536 nan 8.360 nan 0.000 0.449 384 K N -0.560 119.804 120.400 -0.060 0.000 2.152 384 K HA -0.117 4.204 4.320 0.001 0.000 0.206 384 K C 1.387 177.923 176.600 -0.107 0.000 1.048 384 K CA 1.795 58.041 56.287 -0.068 0.000 0.933 384 K CB -0.209 32.255 32.500 -0.060 0.000 0.721 384 K HN 0.159 nan 8.250 nan 0.000 0.447 385 T N -0.553 113.923 114.554 -0.129 0.000 3.031 385 T HA 0.039 4.389 4.350 0.001 0.000 0.254 385 T C -0.029 174.394 174.700 -0.461 0.000 1.060 385 T CA 0.350 62.230 62.100 -0.367 0.000 1.135 385 T CB 0.103 68.664 68.868 -0.513 0.000 0.896 385 T HN 0.297 nan 8.240 nan 0.000 0.472 386 W N 2.527 123.783 121.300 -0.073 0.000 1.809 386 W HA 0.322 4.983 4.660 0.001 0.000 0.298 386 W C -3.190 173.294 176.519 -0.057 0.000 0.905 386 W CA -2.642 54.669 57.345 -0.058 0.000 1.872 386 W CB 0.131 29.561 29.460 -0.050 0.000 2.092 386 W HN 0.027 nan 8.180 nan 0.000 0.403 387 P HA -0.007 nan 4.420 nan 0.000 0.261 387 P C 1.103 178.430 177.300 0.045 0.000 1.173 387 P CA 1.956 65.078 63.100 0.036 0.000 0.760 387 P CB 0.511 32.212 31.700 0.000 0.000 0.783 388 G N 2.524 111.334 108.800 0.016 0.000 2.205 388 G HA2 -0.292 3.668 3.960 0.001 0.000 0.269 388 G HA3 -0.292 3.668 3.960 0.001 0.000 0.269 388 G C 0.325 175.245 174.900 0.033 0.000 0.977 388 G CA 0.254 45.362 45.100 0.012 0.000 0.652 388 G HN 0.641 nan 8.290 nan 0.000 0.539 389 D N 0.826 121.263 120.400 0.063 0.000 2.383 389 D HA 0.314 4.955 4.640 0.001 0.000 0.245 389 D C 1.472 177.800 176.300 0.045 0.000 1.263 389 D CA -0.300 53.732 54.000 0.053 0.000 0.936 389 D CB 0.398 41.243 40.800 0.074 0.000 1.053 389 D HN 0.281 nan 8.370 nan 0.000 0.507 390 E N 2.835 123.064 120.200 0.048 0.000 2.285 390 E HA -0.103 4.248 4.350 0.001 0.000 0.194 390 E C 1.446 178.072 176.600 0.044 0.000 0.997 390 E CA 0.425 56.880 56.400 0.092 0.000 0.845 390 E CB 0.240 29.996 29.700 0.093 0.000 0.782 390 E HN 0.372 nan 8.360 nan 0.000 0.491 391 K N 0.532 120.917 120.400 -0.025 0.000 2.057 391 K HA -0.045 4.276 4.320 0.001 0.000 0.206 391 K C 2.001 178.490 176.600 -0.184 0.000 1.050 391 K CA 0.557 56.788 56.287 -0.093 0.000 0.935 391 K CB -0.159 32.289 32.500 -0.088 0.000 0.715 391 K HN -0.100 nan 8.250 nan 0.000 0.439 392 V N 0.252 120.033 119.914 -0.221 0.000 2.270 392 V HA -0.230 3.890 4.120 0.001 0.000 0.245 392 V C 1.891 177.804 176.094 -0.302 0.000 1.043 392 V CA 1.786 63.849 62.300 -0.394 0.000 1.014 392 V CB -0.510 30.896 31.823 -0.696 0.000 0.645 392 V HN 0.576 nan 8.190 nan 0.000 0.447 393 W N 0.959 122.079 121.300 -0.301 0.000 2.325 393 W HA -0.283 4.378 4.660 0.001 0.000 0.299 393 W C 2.236 178.575 176.519 -0.300 0.000 1.215 393 W CA 1.796 59.004 57.345 -0.228 0.000 1.244 393 W CB -0.147 29.243 29.460 -0.117 0.000 1.140 393 W HN 0.318 nan 8.180 nan 0.000 0.523 394 A N 0.308 122.798 122.820 -0.549 0.000 2.070 394 A HA -0.208 4.113 4.320 0.001 0.000 0.220 394 A C 2.005 179.104 177.584 -0.807 0.000 1.159 394 A CA 1.810 53.241 52.037 -1.010 0.000 0.656 394 A CB -0.635 18.003 19.000 -0.605 0.000 0.800 394 A HN 0.393 nan 8.150 nan 0.000 0.453 395 K N -0.787 119.276 120.400 -0.562 0.000 2.276 395 K HA 0.260 4.580 4.320 0.001 0.000 0.198 395 K C 1.436 177.784 176.600 -0.420 0.000 1.052 395 K CA 0.234 56.258 56.287 -0.439 0.000 0.984 395 K CB -0.012 32.277 32.500 -0.351 0.000 0.836 395 K HN 0.437 nan 8.250 nan 0.000 0.490 396 L N 1.074 122.022 121.223 -0.459 0.000 2.446 396 L HA 0.200 4.540 4.340 0.001 0.000 0.219 396 L C 0.851 177.662 176.870 -0.097 0.000 1.116 396 L CA -0.245 54.433 54.840 -0.271 0.000 0.844 396 L CB -0.051 41.893 42.059 -0.193 0.000 0.970 396 L HN 0.077 nan 8.230 nan 0.000 0.457 397 A N 0.135 122.552 122.820 -0.672 0.000 2.462 397 A HA 0.218 4.538 4.320 0.001 0.000 0.243 397 A C 1.285 178.739 177.584 -0.217 0.000 1.076 397 A CA -0.164 51.351 52.037 -0.870 0.000 0.773 397 A CB 0.771 18.936 19.000 -1.392 0.000 1.010 397 A HN -0.012 nan 8.150 nan 0.000 0.493 398 V N 2.360 122.303 119.914 0.049 0.000 2.379 398 V HA -0.075 4.045 4.120 0.001 0.000 0.245 398 V C 0.732 176.948 176.094 0.203 0.000 1.044 398 V CA 1.422 63.816 62.300 0.156 0.000 1.036 398 V CB -0.365 31.575 31.823 0.195 0.000 0.664 398 V HN 0.567 nan 8.190 nan 0.000 0.453 399 V N 1.310 121.341 119.914 0.196 0.000 2.409 399 V HA 0.554 4.675 4.120 0.001 0.000 0.291 399 V C -0.593 175.637 176.094 0.227 0.000 1.020 399 V CA -0.489 61.951 62.300 0.233 0.000 0.848 399 V CB 1.339 33.288 31.823 0.209 0.000 0.990 399 V HN 0.496 nan 8.190 nan 0.000 0.430 400 H N 3.593 122.734 119.070 0.118 0.000 3.112 400 H HA 0.218 4.775 4.556 0.001 0.000 0.347 400 H C -0.582 174.818 175.328 0.120 0.000 1.188 400 H CA -0.309 55.768 56.048 0.048 0.000 1.240 400 H CB 2.069 31.732 29.762 -0.166 0.000 1.920 400 H HN 0.726 nan 8.280 nan 0.000 0.535 401 D N 3.328 123.596 120.400 -0.219 0.000 2.689 401 D HA -0.190 4.450 4.640 0.001 0.000 0.237 401 D C -0.089 176.234 176.300 0.039 0.000 1.148 401 D CA 1.696 55.667 54.000 -0.048 0.000 0.656 401 D CB -0.910 39.945 40.800 0.091 0.000 1.050 401 D HN 0.785 nan 8.370 nan 0.000 0.426 402 K N -1.419 118.997 120.400 0.026 0.000 3.088 402 K HA -0.278 4.042 4.320 0.001 0.000 0.273 402 K C -0.084 176.566 176.600 0.083 0.000 1.111 402 K CA 1.292 57.611 56.287 0.054 0.000 0.803 402 K CB -0.882 31.641 32.500 0.039 0.000 1.226 402 K HN 0.595 nan 8.250 nan 0.000 0.485 403 Q N 0.051 119.919 119.800 0.113 0.000 2.359 403 Q HA 0.429 4.769 4.340 0.001 0.000 0.274 403 Q C -0.698 175.379 176.000 0.129 0.000 1.074 403 Q CA -0.944 54.910 55.803 0.084 0.000 0.810 403 Q CB 2.838 31.572 28.738 -0.008 0.000 1.342 403 Q HN -0.025 nan 8.270 nan 0.000 0.427 404 V N 2.238 122.213 119.914 0.102 0.000 2.465 404 V HA 0.187 4.308 4.120 0.001 0.000 0.279 404 V C -0.175 175.924 176.094 0.008 0.000 1.045 404 V CA -0.455 61.936 62.300 0.151 0.000 0.938 404 V CB 0.859 32.798 31.823 0.193 0.000 0.986 404 V HN 0.660 nan 8.190 nan 0.000 0.467 405 H N 6.123 125.251 119.070 0.097 0.000 2.724 405 H HA 0.261 4.818 4.556 0.001 0.000 0.278 405 H C 0.406 175.774 175.328 0.066 0.000 1.159 405 H CA -0.698 55.392 56.048 0.069 0.000 1.254 405 H CB 1.439 31.239 29.762 0.064 0.000 1.412 405 H HN 0.551 nan 8.280 nan 0.000 0.488 406 M N 1.443 121.104 119.600 0.102 0.000 2.132 406 M HA -0.075 4.406 4.480 0.001 0.000 0.263 406 M C 2.458 178.745 176.300 -0.022 0.000 1.065 406 M CA 0.895 56.239 55.300 0.074 0.000 1.122 406 M CB -0.992 31.682 32.600 0.123 0.000 1.365 406 M HN 0.621 nan 8.290 nan 0.000 0.411 407 A N 1.026 123.858 122.820 0.020 0.000 1.940 407 A HA -0.206 4.114 4.320 0.001 0.000 0.219 407 A C 2.012 179.533 177.584 -0.105 0.000 1.176 407 A CA 1.949 53.966 52.037 -0.033 0.000 0.631 407 A CB -0.833 18.339 19.000 0.286 0.000 0.814 407 A HN 0.484 nan 8.150 nan 0.000 0.446 408 N N -0.252 118.495 118.700 0.077 0.000 2.120 408 N HA -0.131 4.609 4.740 0.001 0.000 0.188 408 N C 1.529 176.942 175.510 -0.161 0.000 1.024 408 N CA 1.390 54.464 53.050 0.039 0.000 0.852 408 N CB -0.589 38.037 38.487 0.231 0.000 1.003 408 N HN 0.411 nan 8.380 nan 0.000 0.424 409 L N 0.859 122.025 121.223 -0.095 0.000 2.046 409 L HA -0.097 4.244 4.340 0.001 0.000 0.208 409 L C 2.011 178.726 176.870 -0.258 0.000 1.077 409 L CA 1.462 56.233 54.840 -0.115 0.000 0.747 409 L CB -0.941 41.101 42.059 -0.027 0.000 0.896 409 L HN 0.162 nan 8.230 nan 0.000 0.432 410 C N -1.821 117.242 119.300 -0.396 0.000 2.446 410 C HA -0.110 4.351 4.460 0.001 0.000 0.277 410 C C 2.942 177.602 174.990 -0.549 0.000 1.275 410 C CA 1.006 59.687 59.018 -0.561 0.000 1.727 410 C CB -0.970 26.109 27.740 -1.101 0.000 2.010 410 C HN 0.590 nan 8.230 nan 0.000 0.486 411 V N 0.321 119.847 119.914 -0.647 0.000 2.548 411 V HA -0.062 4.059 4.120 0.001 0.000 0.249 411 V C 2.124 177.827 176.094 -0.652 0.000 1.055 411 V CA 2.130 64.017 62.300 -0.688 0.000 1.065 411 V CB -0.434 30.823 31.823 -0.943 0.000 0.681 411 V HN 0.386 nan 8.190 nan 0.000 0.462 412 V N 1.383 120.948 119.914 -0.581 0.000 2.427 412 V HA 0.005 4.126 4.120 0.001 0.000 0.248 412 V C 2.655 178.611 176.094 -0.230 0.000 1.051 412 V CA 2.036 64.060 62.300 -0.461 0.000 1.048 412 V CB -0.975 30.587 31.823 -0.435 0.000 0.666 412 V HN 0.666 nan 8.190 nan 0.000 0.456 413 G N -0.907 107.765 108.800 -0.214 0.000 2.838 413 G HA2 0.338 4.299 3.960 0.001 0.000 0.210 413 G HA3 0.338 4.299 3.960 0.001 0.000 0.210 413 G C 0.655 175.366 174.900 -0.315 0.000 1.153 413 G CA 0.643 45.612 45.100 -0.219 0.000 0.778 413 G HN 0.614 nan 8.290 nan 0.000 0.539 414 G N -0.428 108.205 108.800 -0.278 0.000 2.613 414 G HA2 0.455 4.415 3.960 0.001 0.000 0.303 414 G HA3 0.455 4.415 3.960 0.001 0.000 0.303 414 G C 0.285 175.052 174.900 -0.221 0.000 1.312 414 G CA -0.524 44.459 45.100 -0.196 0.000 1.036 414 G HN 0.260 nan 8.290 nan 0.000 0.513 415 F N -1.727 118.138 119.950 -0.142 0.000 2.704 415 F HA 0.743 5.270 4.527 0.001 0.000 0.304 415 F C 0.487 176.242 175.800 -0.076 0.000 1.094 415 F CA -0.436 57.485 58.000 -0.132 0.000 1.275 415 F CB 0.223 39.178 39.000 -0.076 0.000 1.073 415 F HN 0.540 nan 8.300 nan 0.000 0.586 416 A N 0.405 122.767 122.820 -0.764 0.000 2.572 416 A HA 0.786 5.106 4.320 0.001 0.000 0.295 416 A C -1.650 175.724 177.584 -0.350 0.000 1.072 416 A CA -0.692 51.083 52.037 -0.437 0.000 0.691 416 A CB 1.684 20.417 19.000 -0.445 0.000 1.291 416 A HN 0.064 nan 8.150 nan 0.000 0.404 417 V N 3.184 122.938 119.914 -0.266 0.000 2.686 417 V HA 0.560 4.681 4.120 0.001 0.000 0.306 417 V C -0.888 175.156 176.094 -0.084 0.000 1.065 417 V CA -0.743 61.406 62.300 -0.252 0.000 0.894 417 V CB 1.939 33.441 31.823 -0.534 0.000 1.004 417 V HN 1.063 nan 8.190 nan 0.000 0.424 418 N N 2.813 121.462 118.700 -0.085 0.000 2.284 418 N HA 0.655 5.395 4.740 0.001 0.000 0.289 418 N C -0.358 175.124 175.510 -0.047 0.000 1.179 418 N CA -0.299 52.738 53.050 -0.022 0.000 0.774 418 N CB 2.957 41.406 38.487 -0.063 0.000 1.548 418 N HN 0.675 nan 8.380 nan 0.000 0.473 419 G N -0.848 107.953 108.800 0.001 0.000 2.642 419 G HA2 0.472 4.433 3.960 0.001 0.000 0.291 419 G HA3 0.472 4.433 3.960 0.001 0.000 0.291 419 G C 0.626 175.607 174.900 0.135 0.000 1.345 419 G CA -0.284 44.859 45.100 0.072 0.000 1.043 419 G HN 0.740 nan 8.290 nan 0.000 0.528 420 V N -4.457 115.644 119.914 0.311 0.000 3.432 420 V HA 0.717 4.837 4.120 0.001 0.000 0.298 420 V C 0.511 176.690 176.094 0.142 0.000 1.464 420 V CA 0.630 63.027 62.300 0.161 0.000 1.046 420 V CB -0.378 31.507 31.823 0.103 0.000 0.887 420 V HN 1.295 nan 8.190 nan 0.000 0.441 421 A N -0.433 122.485 122.820 0.163 0.000 2.609 421 A HA 0.918 5.238 4.320 0.001 0.000 0.291 421 A C 0.973 178.618 177.584 0.101 0.000 1.096 421 A CA 0.033 52.142 52.037 0.120 0.000 0.684 421 A CB 1.087 20.148 19.000 0.102 0.000 1.282 421 A HN 0.859 nan 8.150 nan 0.000 0.412 422 A N -0.038 122.822 122.820 0.067 0.000 1.883 422 A HA -0.059 4.261 4.320 0.001 0.000 0.217 422 A C 1.929 179.528 177.584 0.025 0.000 1.186 422 A CA 1.895 53.953 52.037 0.035 0.000 0.624 422 A CB -0.859 18.157 19.000 0.025 0.000 0.822 422 A HN 1.180 nan 8.150 nan 0.000 0.444 423 L N -1.240 120.005 121.223 0.037 0.000 2.046 423 L HA -0.229 4.112 4.340 0.001 0.000 0.208 423 L C 2.710 179.601 176.870 0.034 0.000 1.077 423 L CA 2.229 57.083 54.840 0.023 0.000 0.747 423 L CB -0.495 41.578 42.059 0.023 0.000 0.896 423 L HN 0.720 nan 8.230 nan 0.000 0.432 424 H N -0.977 118.078 119.070 -0.025 0.000 2.357 424 H HA -0.117 4.440 4.556 0.001 0.000 0.301 424 H C 2.097 177.410 175.328 -0.025 0.000 1.082 424 H CA 1.602 57.631 56.048 -0.032 0.000 1.342 424 H CB 0.347 30.093 29.762 -0.026 0.000 1.389 424 H HN 0.344 nan 8.280 nan 0.000 0.511 425 S N 0.184 115.808 115.700 -0.126 0.000 2.447 425 S HA -0.116 4.355 4.470 0.001 0.000 0.233 425 S C 1.597 176.113 174.600 -0.139 0.000 1.006 425 S CA 1.176 59.284 58.200 -0.154 0.000 0.957 425 S CB -0.123 63.057 63.200 -0.033 0.000 0.773 425 S HN 0.537 nan 8.310 nan 0.000 0.507 426 D N 1.678 122.008 120.400 -0.117 0.000 2.103 426 D HA 0.005 4.646 4.640 0.001 0.000 0.199 426 D C 1.737 177.946 176.300 -0.151 0.000 0.978 426 D CA 0.830 54.758 54.000 -0.121 0.000 0.829 426 D CB -0.169 40.585 40.800 -0.077 0.000 0.981 426 D HN 0.278 nan 8.370 nan 0.000 0.464 427 L N -0.246 120.886 121.223 -0.153 0.000 2.201 427 L HA -0.072 4.269 4.340 0.001 0.000 0.212 427 L C 2.478 179.224 176.870 -0.207 0.000 1.105 427 L CA 0.199 54.944 54.840 -0.157 0.000 0.775 427 L CB -0.234 41.754 42.059 -0.118 0.000 0.913 427 L HN 0.027 nan 8.230 nan 0.000 0.440 428 V N -0.507 119.243 119.914 -0.273 0.000 2.332 428 V HA -0.270 3.850 4.120 0.001 0.000 0.248 428 V C 2.316 178.338 176.094 -0.120 0.000 1.055 428 V CA 1.715 63.887 62.300 -0.213 0.000 1.038 428 V CB -0.212 31.517 31.823 -0.156 0.000 0.651 428 V HN 0.230 nan 8.190 nan 0.000 0.450 429 V N -1.077 118.725 119.914 -0.187 0.000 2.788 429 V HA -0.091 4.030 4.120 0.001 0.000 0.251 429 V C 2.233 178.174 176.094 -0.254 0.000 1.068 429 V CA 1.505 63.597 62.300 -0.347 0.000 1.090 429 V CB -0.328 31.111 31.823 -0.639 0.000 0.710 429 V HN 0.514 nan 8.190 nan 0.000 0.467 430 K N -0.468 119.819 120.400 -0.189 0.000 2.168 430 K HA 0.007 4.328 4.320 0.001 0.000 0.201 430 K C 1.485 178.018 176.600 -0.113 0.000 1.049 430 K CA 1.173 57.382 56.287 -0.130 0.000 0.974 430 K CB 0.043 32.477 32.500 -0.110 0.000 0.792 430 K HN 0.361 nan 8.250 nan 0.000 0.463 431 D N 0.146 120.465 120.400 -0.135 0.000 2.379 431 D HA -0.024 4.617 4.640 0.001 0.000 0.218 431 D C 1.551 177.745 176.300 -0.178 0.000 1.006 431 D CA 0.359 54.278 54.000 -0.135 0.000 0.893 431 D CB 0.247 40.971 40.800 -0.127 0.000 1.019 431 D HN -0.044 nan 8.370 nan 0.000 0.503 432 L N -1.023 120.044 121.223 -0.260 0.000 2.200 432 L HA 0.229 4.569 4.340 0.001 0.000 0.200 432 L C 0.122 176.694 176.870 -0.498 0.000 1.072 432 L CA 1.236 55.781 54.840 -0.492 0.000 0.787 432 L CB 0.151 41.769 42.059 -0.735 0.000 0.957 432 L HN -0.174 nan 8.230 nan 0.000 0.459 433 F N -0.110 119.889 119.950 0.081 0.000 2.749 433 F HA 0.406 4.934 4.527 0.001 0.000 0.380 433 F C -1.703 174.118 175.800 0.035 0.000 1.365 433 F CA -2.211 55.901 58.000 0.186 0.000 1.186 433 F CB -0.479 38.816 39.000 0.491 0.000 1.080 433 F HN -0.007 nan 8.300 nan 0.000 0.513 434 P HA -0.177 nan 4.420 nan 0.000 0.215 434 P C 1.114 178.471 177.300 0.094 0.000 1.153 434 P CA 1.723 64.849 63.100 0.042 0.000 0.853 434 P CB 0.446 32.139 31.700 -0.012 0.000 0.788 435 E N -1.107 119.106 120.200 0.020 0.000 2.072 435 E HA -0.172 4.178 4.350 0.001 0.000 0.191 435 E C 2.093 178.784 176.600 0.151 0.000 0.985 435 E CA 1.153 57.557 56.400 0.007 0.000 0.801 435 E CB -1.004 28.498 29.700 -0.330 0.000 0.750 435 E HN 0.319 nan 8.360 nan 0.000 0.452 436 Y N -0.112 120.347 120.300 0.265 0.000 2.314 436 Y HA -0.127 4.423 4.550 0.001 0.000 0.293 436 Y C 2.337 178.480 175.900 0.405 0.000 1.129 436 Y CA 1.177 59.502 58.100 0.376 0.000 1.201 436 Y CB -0.502 38.305 38.460 0.579 0.000 0.999 436 Y HN 0.306 nan 8.280 nan 0.000 0.541 437 H N 0.197 119.379 119.070 0.186 0.000 2.326 437 H HA -0.158 4.399 4.556 0.001 0.000 0.301 437 H C 1.744 177.117 175.328 0.075 0.000 1.081 437 H CA 1.713 57.698 56.048 -0.105 0.000 1.334 437 H CB 0.199 29.695 29.762 -0.443 0.000 1.385 437 H HN 0.394 nan 8.280 nan 0.000 0.504 438 Q N 0.348 120.155 119.800 0.012 0.000 2.077 438 Q HA -0.184 4.157 4.340 0.001 0.000 0.206 438 Q C 2.731 178.688 176.000 -0.072 0.000 0.989 438 Q CA 1.695 57.475 55.803 -0.039 0.000 0.853 438 Q CB 0.015 28.815 28.738 0.104 0.000 0.907 438 Q HN 0.473 nan 8.270 nan 0.000 0.418 439 L N -1.156 120.040 121.223 -0.045 0.000 2.027 439 L HA -0.115 4.226 4.340 0.001 0.000 0.206 439 L C 0.707 177.418 176.870 -0.264 0.000 1.074 439 L CA 0.687 55.343 54.840 -0.307 0.000 0.745 439 L CB 0.110 41.767 42.059 -0.670 0.000 0.898 439 L HN 0.357 nan 8.230 nan 0.000 0.433 440 W N -0.361 121.083 121.300 0.240 0.000 1.890 440 W HA 0.293 4.954 4.660 0.001 0.000 0.293 440 W C -1.836 174.827 176.519 0.239 0.000 0.895 440 W CA -1.696 55.788 57.345 0.231 0.000 1.968 440 W CB -0.352 29.273 29.460 0.274 0.000 2.198 440 W HN 0.028 nan 8.180 nan 0.000 0.401 441 P HA -0.175 nan 4.420 nan 0.000 0.220 441 P C 1.100 178.535 177.300 0.225 0.000 1.148 441 P CA 1.459 64.541 63.100 -0.031 0.000 0.803 441 P CB 0.428 31.995 31.700 -0.222 0.000 0.782 442 N N 0.361 119.188 118.700 0.212 0.000 2.550 442 N HA -0.087 4.654 4.740 0.001 0.000 0.186 442 N C 1.604 177.167 175.510 0.089 0.000 1.110 442 N CA 0.728 53.869 53.050 0.152 0.000 0.912 442 N CB -0.286 38.292 38.487 0.151 0.000 0.968 442 N HN 0.457 nan 8.380 nan 0.000 0.448 443 K N -0.611 119.885 120.400 0.159 0.000 2.367 443 K HA 0.078 4.399 4.320 0.001 0.000 0.194 443 K C -0.360 176.071 176.600 -0.283 0.000 1.027 443 K CA -0.059 56.226 56.287 -0.004 0.000 1.075 443 K CB 0.152 32.630 32.500 -0.036 0.000 0.845 443 K HN -0.183 nan 8.250 nan 0.000 0.529 444 F N 2.189 122.036 119.950 -0.172 0.000 2.394 444 F HA 0.376 4.903 4.527 0.001 0.000 0.340 444 F C 0.654 176.176 175.800 -0.463 0.000 1.105 444 F CA -0.407 57.504 58.000 -0.148 0.000 1.124 444 F CB 0.898 39.934 39.000 0.060 0.000 1.145 444 F HN 0.017 nan 8.300 nan 0.000 0.505 445 H N 0.803 119.940 119.070 0.112 0.000 2.977 445 H HA 0.278 4.834 4.556 0.001 0.000 0.350 445 H C -1.203 174.109 175.328 -0.027 0.000 1.238 445 H CA -1.063 54.994 56.048 0.015 0.000 1.124 445 H CB 2.329 32.050 29.762 -0.070 0.000 1.866 445 H HN 0.497 nan 8.280 nan 0.000 0.550 446 N N 0.828 119.569 118.700 0.068 0.000 2.362 446 N HA 0.350 5.091 4.740 0.001 0.000 0.298 446 N C -1.558 173.875 175.510 -0.128 0.000 1.048 446 N CA -0.385 52.655 53.050 -0.016 0.000 0.858 446 N CB 1.954 40.438 38.487 -0.005 0.000 1.218 446 N HN 0.195 nan 8.380 nan 0.000 0.488 447 V N 2.421 122.215 119.914 -0.200 0.000 2.462 447 V HA 0.202 4.323 4.120 0.001 0.000 0.288 447 V C -0.023 176.032 176.094 -0.066 0.000 1.020 447 V CA -0.745 61.373 62.300 -0.303 0.000 0.857 447 V CB 1.295 32.586 31.823 -0.888 0.000 1.013 447 V HN 0.650 nan 8.190 nan 0.000 0.431 448 T N 4.707 119.262 114.554 0.002 0.000 2.888 448 T HA 0.131 4.481 4.350 0.001 0.000 0.301 448 T C 0.624 175.447 174.700 0.205 0.000 1.001 448 T CA 0.007 62.173 62.100 0.111 0.000 1.147 448 T CB 0.041 68.980 68.868 0.118 0.000 0.931 448 T HN 0.628 nan 8.240 nan 0.000 0.541 449 N N 1.406 120.262 118.700 0.260 0.000 2.239 449 N HA 0.326 5.066 4.740 0.001 0.000 0.225 449 N C 0.533 176.250 175.510 0.344 0.000 1.283 449 N CA 0.518 53.768 53.050 0.333 0.000 0.868 449 N CB 0.315 38.926 38.487 0.206 0.000 1.098 449 N HN 0.883 nan 8.380 nan 0.000 0.436 450 G N -1.306 107.721 108.800 0.378 0.000 2.687 450 G HA2 0.648 4.608 3.960 0.001 0.000 0.291 450 G HA3 0.648 4.608 3.960 0.001 0.000 0.291 450 G C -1.310 173.749 174.900 0.264 0.000 1.420 450 G CA -0.649 44.652 45.100 0.334 0.000 0.796 450 G HN 0.572 nan 8.290 nan 0.000 0.485 451 I N -2.630 118.082 120.570 0.236 0.000 2.934 451 I HA 0.782 4.953 4.170 0.001 0.000 0.306 451 I C -0.149 176.144 176.117 0.294 0.000 1.110 451 I CA -1.006 60.425 61.300 0.217 0.000 1.019 451 I CB 2.251 40.278 38.000 0.045 0.000 1.227 451 I HN 0.468 nan 8.210 nan 0.000 0.434 452 T N 3.595 118.382 114.554 0.388 0.000 2.780 452 T HA 0.471 4.822 4.350 0.001 0.000 0.294 452 T C -1.808 173.052 174.700 0.266 0.000 0.949 452 T CA -1.570 60.693 62.100 0.271 0.000 1.074 452 T CB 0.858 69.826 68.868 0.167 0.000 0.910 452 T HN 0.594 nan 8.240 nan 0.000 0.501 453 P HA 0.044 nan 4.420 nan 0.000 0.226 453 P C 1.213 178.548 177.300 0.060 0.000 1.153 453 P CA 0.397 63.607 63.100 0.182 0.000 0.777 453 P CB 0.285 32.086 31.700 0.168 0.000 0.794 454 R N -0.066 120.382 120.500 -0.086 0.000 2.092 454 R HA -0.036 4.305 4.340 0.001 0.000 0.226 454 R C 2.488 178.703 176.300 -0.142 0.000 1.140 454 R CA 1.581 57.579 56.100 -0.170 0.000 0.910 454 R CB -1.375 28.820 30.300 -0.175 0.000 0.822 454 R HN 0.032 nan 8.270 nan 0.000 0.433 455 R N -0.641 119.717 120.500 -0.237 0.000 2.083 455 R HA -0.164 4.177 4.340 0.001 0.000 0.237 455 R C 1.664 177.684 176.300 -0.468 0.000 1.137 455 R CA 2.021 57.828 56.100 -0.490 0.000 0.951 455 R CB -0.324 29.459 30.300 -0.861 0.000 0.851 455 R HN 0.336 nan 8.270 nan 0.000 0.434 456 W N -0.776 120.537 121.300 0.023 0.000 3.047 456 W HA 0.217 4.878 4.660 0.001 0.000 0.250 456 W C 1.246 177.794 176.519 0.048 0.000 1.314 456 W CA -0.292 57.072 57.345 0.032 0.000 1.540 456 W CB 0.378 29.861 29.460 0.038 0.000 1.127 456 W HN 0.149 nan 8.180 nan 0.000 0.679 457 I N -1.942 118.762 120.570 0.222 0.000 3.814 457 I HA -0.004 4.166 4.170 0.001 0.000 0.264 457 I C 2.097 178.317 176.117 0.173 0.000 1.145 457 I CA -0.023 61.398 61.300 0.201 0.000 1.375 457 I CB -0.263 37.889 38.000 0.252 0.000 1.638 457 I HN -0.414 nan 8.210 nan 0.000 0.432 458 K N 1.142 121.661 120.400 0.199 0.000 2.032 458 K HA -0.262 4.059 4.320 0.001 0.000 0.209 458 K C 2.144 178.744 176.600 0.001 0.000 1.048 458 K CA 2.126 58.490 56.287 0.130 0.000 0.927 458 K CB 0.038 32.529 32.500 -0.015 0.000 0.712 458 K HN 0.266 nan 8.250 nan 0.000 0.441 459 Q N -0.259 119.503 119.800 -0.063 0.000 2.107 459 Q HA -0.111 4.229 4.340 0.001 0.000 0.195 459 Q C 2.422 178.357 176.000 -0.108 0.000 0.964 459 Q CA 1.423 57.150 55.803 -0.127 0.000 0.833 459 Q CB 0.067 28.704 28.738 -0.170 0.000 0.910 459 Q HN 0.620 nan 8.270 nan 0.000 0.465 460 C N 0.021 119.270 119.300 -0.086 0.000 2.464 460 C HA 0.210 4.671 4.460 0.001 0.000 0.278 460 C C 1.190 176.171 174.990 -0.015 0.000 1.375 460 C CA -0.005 58.981 59.018 -0.053 0.000 1.761 460 C CB -0.633 27.099 27.740 -0.013 0.000 1.944 460 C HN 0.350 nan 8.230 nan 0.000 0.509 461 N N 1.427 120.129 118.700 0.002 0.000 2.886 461 N HA 0.320 5.060 4.740 0.001 0.000 0.285 461 N C -1.732 173.767 175.510 -0.018 0.000 1.706 461 N CA -1.808 51.235 53.050 -0.013 0.000 0.904 461 N CB 0.687 39.169 38.487 -0.008 0.000 1.224 461 N HN 0.349 nan 8.380 nan 0.000 0.488 462 P HA -0.060 nan 4.420 nan 0.000 0.220 462 P C 0.995 178.282 177.300 -0.022 0.000 1.148 462 P CA 0.699 63.783 63.100 -0.027 0.000 0.803 462 P CB 0.426 32.084 31.700 -0.070 0.000 0.782 463 A N -0.135 122.656 122.820 -0.048 0.000 1.929 463 A HA -0.117 4.204 4.320 0.001 0.000 0.216 463 A C 2.177 179.706 177.584 -0.093 0.000 1.176 463 A CA 1.149 53.146 52.037 -0.066 0.000 0.628 463 A CB -1.505 17.447 19.000 -0.081 0.000 0.816 463 A HN 0.169 nan 8.150 nan 0.000 0.444 464 L N -0.112 121.042 121.223 -0.115 0.000 2.027 464 L HA -0.015 4.325 4.340 0.001 0.000 0.206 464 L C 2.650 179.453 176.870 -0.112 0.000 1.074 464 L CA 2.200 56.946 54.840 -0.156 0.000 0.745 464 L CB -0.865 41.081 42.059 -0.188 0.000 0.898 464 L HN 0.320 nan 8.230 nan 0.000 0.433 465 A N -0.280 122.533 122.820 -0.012 0.000 1.908 465 A HA -0.187 4.134 4.320 0.001 0.000 0.218 465 A C 2.457 180.159 177.584 0.197 0.000 1.181 465 A CA 2.138 54.279 52.037 0.174 0.000 0.627 465 A CB -1.290 17.930 19.000 0.367 0.000 0.818 465 A HN 0.613 nan 8.150 nan 0.000 0.445 466 A N -0.790 122.087 122.820 0.095 0.000 1.933 466 A HA -0.011 4.309 4.320 0.001 0.000 0.218 466 A C 2.117 179.716 177.584 0.026 0.000 1.175 466 A CA 1.690 53.770 52.037 0.071 0.000 0.628 466 A CB -0.576 18.438 19.000 0.023 0.000 0.814 466 A HN 0.650 nan 8.150 nan 0.000 0.444 467 L N -0.002 121.195 121.223 -0.043 0.000 2.017 467 L HA -0.136 4.205 4.340 0.001 0.000 0.208 467 L C 2.318 179.144 176.870 -0.072 0.000 1.073 467 L CA 1.680 56.468 54.840 -0.087 0.000 0.745 467 L CB -0.488 41.466 42.059 -0.174 0.000 0.894 467 L HN 0.425 nan 8.230 nan 0.000 0.432 468 L N -0.867 120.275 121.223 -0.134 0.000 2.012 468 L HA -0.235 4.106 4.340 0.001 0.000 0.210 468 L C 2.295 179.160 176.870 -0.008 0.000 1.073 468 L CA 1.486 56.163 54.840 -0.272 0.000 0.748 468 L CB -1.040 40.448 42.059 -0.953 0.000 0.891 468 L HN 0.287 nan 8.230 nan 0.000 0.431 469 D N 0.244 120.795 120.400 0.252 0.000 2.123 469 D HA -0.222 4.418 4.640 0.001 0.000 0.196 469 D C 2.116 178.507 176.300 0.151 0.000 0.992 469 D CA 1.382 55.573 54.000 0.317 0.000 0.833 469 D CB -0.055 40.901 40.800 0.260 0.000 0.954 469 D HN 0.275 nan 8.370 nan 0.000 0.455 470 K N 0.355 120.802 120.400 0.079 0.000 2.103 470 K HA -0.008 4.313 4.320 0.001 0.000 0.204 470 K C 1.776 178.389 176.600 0.021 0.000 1.052 470 K CA 1.093 57.407 56.287 0.045 0.000 0.945 470 K CB 0.208 32.720 32.500 0.020 0.000 0.722 470 K HN -0.091 nan 8.250 nan 0.000 0.443 471 S N 0.247 115.917 115.700 -0.049 0.000 2.503 471 S HA 0.188 4.659 4.470 0.001 0.000 0.217 471 S C 0.351 174.937 174.600 -0.024 0.000 0.999 471 S CA -0.005 58.080 58.200 -0.193 0.000 0.914 471 S CB 0.116 62.985 63.200 -0.552 0.000 0.782 471 S HN 0.137 nan 8.310 nan 0.000 0.520 472 L N 1.362 122.615 121.223 0.049 0.000 2.334 472 L HA 0.428 4.769 4.340 0.001 0.000 0.273 472 L C 1.361 178.314 176.870 0.138 0.000 1.013 472 L CA -0.553 54.356 54.840 0.116 0.000 0.816 472 L CB 1.172 43.310 42.059 0.133 0.000 1.278 472 L HN -0.037 nan 8.230 nan 0.000 0.431 473 Q N 1.446 121.322 119.800 0.127 0.000 2.137 473 Q HA 0.040 4.380 4.340 0.001 0.000 0.198 473 Q C -0.013 176.051 176.000 0.107 0.000 0.960 473 Q CA 1.147 57.013 55.803 0.105 0.000 0.847 473 Q CB 0.503 29.292 28.738 0.085 0.000 0.915 473 Q HN 0.546 nan 8.270 nan 0.000 0.448 474 K N 0.863 121.338 120.400 0.125 0.000 2.258 474 K HA 0.201 4.522 4.320 0.001 0.000 0.236 474 K C -0.691 175.997 176.600 0.148 0.000 1.008 474 K CA -0.704 55.650 56.287 0.112 0.000 0.869 474 K CB 1.186 33.740 32.500 0.091 0.000 1.171 474 K HN -0.101 nan 8.250 nan 0.000 0.447 475 E N 1.815 122.063 120.200 0.080 0.000 2.415 475 E HA -0.094 4.257 4.350 0.001 0.000 0.263 475 E C 0.137 176.763 176.600 0.043 0.000 0.995 475 E CA 0.255 56.652 56.400 -0.005 0.000 0.915 475 E CB 0.310 29.987 29.700 -0.038 0.000 0.951 475 E HN 0.618 nan 8.360 nan 0.000 0.449 476 W N 3.696 125.009 121.300 0.022 0.000 2.915 476 W HA 0.333 4.993 4.660 0.001 0.000 0.276 476 W C 0.972 177.463 176.519 -0.046 0.000 1.215 476 W CA 0.372 57.717 57.345 0.000 0.000 1.514 476 W CB -0.606 28.859 29.460 0.009 0.000 1.017 476 W HN 0.583 nan 8.180 nan 0.000 0.598 477 A N 2.841 125.120 122.820 -0.902 0.000 2.015 477 A HA -0.233 4.088 4.320 0.001 0.000 0.219 477 A C 1.494 178.745 177.584 -0.555 0.000 1.163 477 A CA 1.829 53.294 52.037 -0.953 0.000 0.646 477 A CB -1.057 17.046 19.000 -1.495 0.000 0.806 477 A HN 0.422 nan 8.150 nan 0.000 0.448 478 N N -1.461 117.017 118.700 -0.369 0.000 2.275 478 N HA 0.165 4.906 4.740 0.001 0.000 0.236 478 N C -0.738 174.752 175.510 -0.034 0.000 1.154 478 N CA 0.198 53.155 53.050 -0.155 0.000 0.866 478 N CB 0.459 38.916 38.487 -0.049 0.000 1.093 478 N HN 0.122 nan 8.380 nan 0.000 0.515 479 D N 0.077 120.481 120.400 0.007 0.000 3.285 479 D HA 0.071 4.712 4.640 0.001 0.000 0.273 479 D C 0.253 176.624 176.300 0.118 0.000 1.295 479 D CA -0.351 53.683 54.000 0.057 0.000 0.762 479 D CB 0.010 40.844 40.800 0.056 0.000 1.379 479 D HN 0.013 nan 8.370 nan 0.000 0.612 480 L N 0.767 122.065 121.223 0.125 0.000 2.275 480 L HA -0.001 4.340 4.340 0.001 0.000 0.215 480 L C 1.446 178.385 176.870 0.115 0.000 1.119 480 L CA 1.532 56.476 54.840 0.173 0.000 0.790 480 L CB -0.028 42.126 42.059 0.160 0.000 0.919 480 L HN 0.134 nan 8.230 nan 0.000 0.443 481 D N -0.627 119.814 120.400 0.069 0.000 2.271 481 D HA -0.208 4.432 4.640 0.001 0.000 0.207 481 D C 1.937 178.269 176.300 0.054 0.000 0.983 481 D CA 0.757 54.781 54.000 0.039 0.000 0.878 481 D CB 0.032 40.843 40.800 0.018 0.000 0.920 481 D HN 0.465 nan 8.370 nan 0.000 0.479 482 Q N -0.111 119.744 119.800 0.091 0.000 2.291 482 Q HA -0.101 4.240 4.340 0.001 0.000 0.206 482 Q C 2.145 178.191 176.000 0.077 0.000 0.976 482 Q CA 0.278 56.141 55.803 0.100 0.000 0.875 482 Q CB -0.216 28.619 28.738 0.162 0.000 0.927 482 Q HN 0.308 nan 8.270 nan 0.000 0.450 483 L N 0.350 121.611 121.223 0.063 0.000 2.261 483 L HA -0.169 4.171 4.340 0.001 0.000 0.216 483 L C 2.098 178.971 176.870 0.006 0.000 1.114 483 L CA 0.902 55.746 54.840 0.007 0.000 0.777 483 L CB -0.730 41.326 42.059 -0.005 0.000 0.910 483 L HN 0.174 nan 8.230 nan 0.000 0.440 484 I N -0.209 120.368 120.570 0.013 0.000 2.454 484 I HA -0.257 3.914 4.170 0.001 0.000 0.254 484 I C 1.959 178.077 176.117 0.002 0.000 1.156 484 I CA 1.130 62.430 61.300 0.000 0.000 1.433 484 I CB -0.393 37.603 38.000 -0.005 0.000 1.082 484 I HN 0.351 nan 8.210 nan 0.000 0.432 485 N N 0.160 118.874 118.700 0.024 0.000 2.609 485 N HA -0.072 4.668 4.740 0.001 0.000 0.190 485 N C 1.694 177.264 175.510 0.099 0.000 1.157 485 N CA 0.668 53.745 53.050 0.045 0.000 0.918 485 N CB -0.040 38.491 38.487 0.072 0.000 0.978 485 N HN 0.429 nan 8.380 nan 0.000 0.448 486 L N 0.777 122.039 121.223 0.065 0.000 2.341 486 L HA -0.009 4.331 4.340 0.001 0.000 0.214 486 L C 1.924 178.790 176.870 -0.007 0.000 1.115 486 L CA 0.600 55.485 54.840 0.074 0.000 0.820 486 L CB -0.175 41.868 42.059 -0.027 0.000 0.944 486 L HN 0.148 nan 8.230 nan 0.000 0.452 487 E N 0.910 121.080 120.200 -0.049 0.000 2.065 487 E HA -0.315 4.035 4.350 0.001 0.000 0.201 487 E C 2.046 178.559 176.600 -0.146 0.000 1.016 487 E CA 2.120 58.464 56.400 -0.092 0.000 0.818 487 E CB -0.109 29.543 29.700 -0.079 0.000 0.749 487 E HN 0.523 nan 8.360 nan 0.000 0.453 488 K N 0.341 120.621 120.400 -0.200 0.000 2.152 488 K HA -0.165 4.156 4.320 0.001 0.000 0.206 488 K C 1.771 178.120 176.600 -0.418 0.000 1.048 488 K CA 1.585 57.684 56.287 -0.314 0.000 0.933 488 K CB -0.377 31.883 32.500 -0.400 0.000 0.721 488 K HN 0.057 nan 8.250 nan 0.000 0.447 489 F N 1.798 121.513 119.950 -0.392 0.000 2.451 489 F HA 0.072 4.600 4.527 0.001 0.000 0.299 489 F C 2.567 178.073 175.800 -0.490 0.000 1.101 489 F CA 0.723 58.346 58.000 -0.628 0.000 1.436 489 F CB -0.296 37.845 39.000 -1.432 0.000 1.074 489 F HN 0.138 nan 8.300 nan 0.000 0.553 490 A N -0.452 122.258 122.820 -0.183 0.000 2.125 490 A HA -0.173 4.147 4.320 0.001 0.000 0.219 490 A C 1.789 179.347 177.584 -0.044 0.000 1.156 490 A CA 1.890 53.873 52.037 -0.089 0.000 0.671 490 A CB -0.512 18.424 19.000 -0.108 0.000 0.794 490 A HN 0.234 nan 8.150 nan 0.000 0.459 491 D N -0.408 119.949 120.400 -0.071 0.000 2.346 491 D HA 0.010 4.650 4.640 0.001 0.000 0.206 491 D C 0.015 176.306 176.300 -0.015 0.000 1.001 491 D CA 0.230 54.199 54.000 -0.052 0.000 0.871 491 D CB -0.020 40.727 40.800 -0.088 0.000 0.943 491 D HN 0.399 nan 8.370 nan 0.000 0.518 492 D N 0.330 120.738 120.400 0.014 0.000 2.317 492 D HA 0.213 4.854 4.640 0.001 0.000 0.252 492 D C 1.046 177.433 176.300 0.146 0.000 1.174 492 D CA -0.229 53.821 54.000 0.084 0.000 0.866 492 D CB 1.556 42.440 40.800 0.140 0.000 1.127 492 D HN -0.064 nan 8.370 nan 0.000 0.467 493 A N 5.469 128.349 122.820 0.100 0.000 1.877 493 A HA -0.170 4.151 4.320 0.001 0.000 0.216 493 A C 2.043 179.693 177.584 0.110 0.000 1.186 493 A CA 1.222 53.312 52.037 0.089 0.000 0.620 493 A CB -0.359 18.674 19.000 0.054 0.000 0.822 493 A HN 0.676 nan 8.150 nan 0.000 0.443 494 K N -1.646 118.825 120.400 0.120 0.000 2.057 494 K HA -0.150 4.171 4.320 0.001 0.000 0.207 494 K C 1.820 178.501 176.600 0.135 0.000 1.049 494 K CA 1.600 57.952 56.287 0.108 0.000 0.931 494 K CB -0.330 32.232 32.500 0.103 0.000 0.714 494 K HN 0.459 nan 8.250 nan 0.000 0.440 495 F N 2.006 122.004 119.950 0.079 0.000 2.095 495 F HA -0.228 4.300 4.527 0.001 0.000 0.298 495 F C 2.234 178.076 175.800 0.071 0.000 1.104 495 F CA 1.544 59.590 58.000 0.076 0.000 1.232 495 F CB -0.033 39.053 39.000 0.143 0.000 0.987 495 F HN -0.040 nan 8.300 nan 0.000 0.475 496 R N -0.144 120.527 120.500 0.286 0.000 2.096 496 R HA -0.254 4.086 4.340 0.001 0.000 0.240 496 R C 2.373 178.716 176.300 0.072 0.000 1.139 496 R CA 1.912 58.108 56.100 0.160 0.000 0.952 496 R CB -0.861 29.518 30.300 0.132 0.000 0.854 496 R HN 0.486 nan 8.270 nan 0.000 0.436 497 Q N 0.947 120.773 119.800 0.044 0.000 2.119 497 Q HA -0.204 4.137 4.340 0.001 0.000 0.201 497 Q C 1.945 177.928 176.000 -0.029 0.000 0.972 497 Q CA 1.461 57.271 55.803 0.012 0.000 0.847 497 Q CB 0.111 28.855 28.738 0.011 0.000 0.903 497 Q HN 0.463 nan 8.270 nan 0.000 0.433 498 Q N -0.815 118.935 119.800 -0.082 0.000 2.084 498 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 498 Q C 1.816 177.715 176.000 -0.168 0.000 0.978 498 Q CA 1.595 57.309 55.803 -0.147 0.000 0.844 498 Q CB -0.163 28.440 28.738 -0.224 0.000 0.898 498 Q HN 0.462 nan 8.270 nan 0.000 0.426 499 Y N 1.026 121.117 120.300 -0.349 0.000 2.200 499 Y HA -0.186 4.364 4.550 0.001 0.000 0.290 499 Y C 2.431 178.251 175.900 -0.133 0.000 1.137 499 Y CA 1.564 59.489 58.100 -0.291 0.000 1.163 499 Y CB 0.059 38.331 38.460 -0.313 0.000 0.988 499 Y HN -0.093 nan 8.280 nan 0.000 0.518 500 R N 0.396 120.958 120.500 0.102 0.000 2.092 500 R HA -0.146 4.195 4.340 0.001 0.000 0.231 500 R C 1.967 178.242 176.300 -0.042 0.000 1.119 500 R CA 1.787 57.924 56.100 0.061 0.000 0.970 500 R CB -0.195 30.145 30.300 0.067 0.000 0.864 500 R HN 0.448 nan 8.270 nan 0.000 0.440 501 E N 0.309 120.472 120.200 -0.062 0.000 2.110 501 E HA -0.183 4.168 4.350 0.001 0.000 0.193 501 E C 2.005 178.541 176.600 -0.107 0.000 0.988 501 E CA 1.406 57.760 56.400 -0.078 0.000 0.804 501 E CB -0.080 29.579 29.700 -0.068 0.000 0.745 501 E HN 0.380 nan 8.360 nan 0.000 0.458 502 I N 1.109 121.585 120.570 -0.157 0.000 2.127 502 I HA -0.305 3.865 4.170 0.001 0.000 0.241 502 I C 2.458 178.468 176.117 -0.177 0.000 1.075 502 I CA 1.091 62.279 61.300 -0.188 0.000 1.334 502 I CB -0.183 37.652 38.000 -0.276 0.000 1.040 502 I HN -0.013 nan 8.210 nan 0.000 0.405 503 K N 1.020 121.294 120.400 -0.209 0.000 2.020 503 K HA -0.293 4.028 4.320 0.001 0.000 0.212 503 K C 2.123 178.653 176.600 -0.117 0.000 1.050 503 K CA 1.932 58.133 56.287 -0.144 0.000 0.929 503 K CB -0.432 32.017 32.500 -0.086 0.000 0.714 503 K HN 0.172 nan 8.250 nan 0.000 0.443 504 Q N -0.321 119.412 119.800 -0.111 0.000 2.084 504 Q HA -0.008 4.332 4.340 0.001 0.000 0.202 504 Q C 1.858 177.800 176.000 -0.097 0.000 0.978 504 Q CA 2.118 57.850 55.803 -0.119 0.000 0.844 504 Q CB -0.564 28.117 28.738 -0.096 0.000 0.898 504 Q HN 0.385 nan 8.270 nan 0.000 0.426 505 A N 0.480 123.254 122.820 -0.077 0.000 1.902 505 A HA -0.226 4.095 4.320 0.001 0.000 0.217 505 A C 1.863 179.427 177.584 -0.034 0.000 1.181 505 A CA 1.728 53.734 52.037 -0.051 0.000 0.623 505 A CB -0.795 18.174 19.000 -0.052 0.000 0.818 505 A HN 0.485 nan 8.150 nan 0.000 0.443 506 N N 0.080 118.752 118.700 -0.046 0.000 2.149 506 N HA -0.134 4.607 4.740 0.001 0.000 0.188 506 N C 1.556 177.082 175.510 0.026 0.000 1.019 506 N CA 1.558 54.598 53.050 -0.016 0.000 0.857 506 N CB -0.310 38.158 38.487 -0.031 0.000 0.997 506 N HN 0.596 nan 8.380 nan 0.000 0.426 507 K N 0.154 120.538 120.400 -0.026 0.000 2.155 507 K HA 0.052 4.372 4.320 0.001 0.000 0.203 507 K C 1.908 178.574 176.600 0.109 0.000 1.052 507 K CA 0.428 56.705 56.287 -0.017 0.000 0.948 507 K CB 0.075 32.308 32.500 -0.445 0.000 0.728 507 K HN -0.053 nan 8.250 nan 0.000 0.448 508 V N 1.436 121.374 119.914 0.040 0.000 2.358 508 V HA -0.214 3.907 4.120 0.001 0.000 0.246 508 V C 2.165 178.321 176.094 0.104 0.000 1.047 508 V CA 1.574 63.916 62.300 0.071 0.000 1.035 508 V CB -0.410 31.430 31.823 0.028 0.000 0.658 508 V HN 0.267 nan 8.190 nan 0.000 0.452 509 R N -0.545 120.006 120.500 0.086 0.000 2.096 509 R HA -0.156 4.185 4.340 0.001 0.000 0.235 509 R C 2.233 178.625 176.300 0.154 0.000 1.127 509 R CA 1.516 57.673 56.100 0.096 0.000 0.968 509 R CB -0.520 29.810 30.300 0.050 0.000 0.861 509 R HN 0.384 nan 8.270 nan 0.000 0.440 510 L N 0.797 122.134 121.223 0.190 0.000 2.093 510 L HA -0.029 4.311 4.340 0.001 0.000 0.208 510 L C 2.257 179.284 176.870 0.262 0.000 1.085 510 L CA 1.746 56.738 54.840 0.254 0.000 0.755 510 L CB -0.643 41.586 42.059 0.285 0.000 0.904 510 L HN 0.101 nan 8.230 nan 0.000 0.435 511 A N -0.343 122.630 122.820 0.254 0.000 1.903 511 A HA -0.302 4.019 4.320 0.001 0.000 0.219 511 A C 2.131 179.800 177.584 0.141 0.000 1.191 511 A CA 2.246 54.391 52.037 0.180 0.000 0.638 511 A CB -0.744 18.371 19.000 0.192 0.000 0.823 511 A HN 0.651 nan 8.150 nan 0.000 0.451 512 E N -1.562 118.731 120.200 0.155 0.000 2.031 512 E HA -0.160 4.190 4.350 0.001 0.000 0.193 512 E C 1.810 178.512 176.600 0.170 0.000 0.994 512 E CA 1.292 57.774 56.400 0.136 0.000 0.800 512 E CB -0.339 29.438 29.700 0.128 0.000 0.752 512 E HN 0.665 nan 8.360 nan 0.000 0.447 513 F N 1.376 121.359 119.950 0.054 0.000 2.161 513 F HA -0.222 4.305 4.527 0.001 0.000 0.300 513 F C 2.051 177.880 175.800 0.050 0.000 1.089 513 F CA 1.056 59.088 58.000 0.053 0.000 1.282 513 F CB -0.158 38.878 39.000 0.061 0.000 1.010 513 F HN -0.188 nan 8.300 nan 0.000 0.485 514 V N 0.373 120.318 119.914 0.052 0.000 2.427 514 V HA -0.271 3.849 4.120 0.001 0.000 0.248 514 V C 2.412 178.459 176.094 -0.078 0.000 1.051 514 V CA 2.118 64.380 62.300 -0.065 0.000 1.048 514 V CB -0.622 31.199 31.823 -0.003 0.000 0.666 514 V HN 0.318 nan 8.190 nan 0.000 0.456 515 K N 0.755 121.142 120.400 -0.022 0.000 2.002 515 K HA -0.177 4.144 4.320 0.001 0.000 0.209 515 K C 2.104 178.678 176.600 -0.043 0.000 1.048 515 K CA 2.085 58.362 56.287 -0.016 0.000 0.930 515 K CB -0.444 32.066 32.500 0.017 0.000 0.714 515 K HN 0.389 nan 8.250 nan 0.000 0.438 516 V N -0.128 119.752 119.914 -0.058 0.000 2.515 516 V HA -0.107 4.014 4.120 0.001 0.000 0.250 516 V C 1.765 177.779 176.094 -0.132 0.000 1.058 516 V CA 1.416 63.675 62.300 -0.069 0.000 1.064 516 V CB -0.497 31.309 31.823 -0.028 0.000 0.675 516 V HN 0.278 nan 8.190 nan 0.000 0.461 517 R N 0.956 121.306 120.500 -0.251 0.000 2.276 517 R HA 0.122 4.463 4.340 0.001 0.000 0.196 517 R C 1.961 178.193 176.300 -0.113 0.000 0.961 517 R CA 1.304 57.261 56.100 -0.240 0.000 1.024 517 R CB -0.151 29.884 30.300 -0.440 0.000 0.940 517 R HN 0.818 nan 8.270 nan 0.000 0.480 518 T N -5.677 108.831 114.554 -0.077 0.000 3.028 518 T HA 0.199 4.549 4.350 0.001 0.000 0.262 518 T C 1.287 175.984 174.700 -0.004 0.000 0.916 518 T CA 0.643 62.735 62.100 -0.014 0.000 0.873 518 T CB 0.891 69.767 68.868 0.013 0.000 1.232 518 T HN 0.245 nan 8.240 nan 0.000 0.529 519 G N 1.793 110.584 108.800 -0.015 0.000 2.179 519 G HA2 -0.203 3.758 3.960 0.001 0.000 0.260 519 G HA3 -0.203 3.758 3.960 0.001 0.000 0.260 519 G C 0.001 174.901 174.900 0.001 0.000 0.977 519 G CA 0.239 45.337 45.100 -0.004 0.000 0.641 519 G HN 0.706 nan 8.290 nan 0.000 0.533 520 I N 1.014 121.583 120.570 -0.002 0.000 2.428 520 I HA 0.373 4.544 4.170 0.001 0.000 0.289 520 I C 0.539 176.655 176.117 -0.002 0.000 1.019 520 I CA -0.444 60.855 61.300 -0.002 0.000 1.351 520 I CB 1.522 39.519 38.000 -0.004 0.000 1.412 520 I HN 0.205 nan 8.210 nan 0.000 0.513 521 E N 7.572 127.774 120.200 0.004 0.000 2.046 521 E HA 0.385 4.735 4.350 0.001 0.000 0.279 521 E C -0.815 175.792 176.600 0.013 0.000 0.989 521 E CA -0.596 55.813 56.400 0.015 0.000 0.798 521 E CB 0.710 30.421 29.700 0.019 0.000 1.086 521 E HN 0.505 nan 8.360 nan 0.000 0.399 522 I N 1.470 122.050 120.570 0.018 0.000 2.437 522 I HA 0.479 4.650 4.170 0.001 0.000 0.298 522 I C -0.233 175.946 176.117 0.103 0.000 0.984 522 I CA -1.172 60.138 61.300 0.016 0.000 1.214 522 I CB 1.511 39.447 38.000 -0.106 0.000 1.365 522 I HN 0.296 nan 8.210 nan 0.000 0.469 523 N N 7.125 125.896 118.700 0.118 0.000 2.401 523 N HA 0.304 5.045 4.740 0.001 0.000 0.255 523 N C -1.796 173.849 175.510 0.226 0.000 1.110 523 N CA -2.276 50.854 53.050 0.134 0.000 0.949 523 N CB 0.776 39.307 38.487 0.074 0.000 1.110 523 N HN 0.450 nan 8.380 nan 0.000 0.490 524 P HA -0.031 nan 4.420 nan 0.000 0.252 524 P C 0.031 177.246 177.300 -0.141 0.000 1.265 524 P CA 0.695 63.780 63.100 -0.025 0.000 0.775 524 P CB 0.386 32.077 31.700 -0.015 0.000 1.128 525 Q N -0.830 118.943 119.800 -0.045 0.000 2.402 525 Q HA 0.183 4.524 4.340 0.001 0.000 0.206 525 Q C 1.109 177.076 176.000 -0.056 0.000 0.919 525 Q CA 0.071 55.842 55.803 -0.053 0.000 0.923 525 Q CB 0.143 28.869 28.738 -0.019 0.000 1.048 525 Q HN 0.198 nan 8.270 nan 0.000 0.515 526 A N 1.477 124.276 122.820 -0.035 0.000 2.406 526 A HA 0.245 4.566 4.320 0.001 0.000 0.243 526 A C 0.255 177.716 177.584 -0.206 0.000 1.082 526 A CA -0.384 51.607 52.037 -0.077 0.000 0.786 526 A CB 0.042 19.059 19.000 0.029 0.000 1.029 526 A HN 0.257 nan 8.150 nan 0.000 0.495 527 I N 1.722 122.036 120.570 -0.426 0.000 2.662 527 I HA -0.029 4.141 4.170 0.001 0.000 0.285 527 I C -0.620 175.422 176.117 -0.125 0.000 1.161 527 I CA 0.301 61.267 61.300 -0.556 0.000 1.415 527 I CB -0.129 37.419 38.000 -0.752 0.000 1.385 527 I HN 0.345 nan 8.210 nan 0.000 0.552 528 F N 5.275 125.044 119.950 -0.302 0.000 2.413 528 F HA 0.195 4.723 4.527 0.001 0.000 0.359 528 F C 0.664 176.300 175.800 -0.273 0.000 1.122 528 F CA -0.815 57.040 58.000 -0.242 0.000 1.160 528 F CB 0.098 39.024 39.000 -0.124 0.000 1.146 528 F HN 0.393 nan 8.300 nan 0.000 0.514 529 D N 5.657 125.901 120.400 -0.261 0.000 2.392 529 D HA 0.364 5.004 4.640 0.001 0.000 0.228 529 D C -0.611 175.517 176.300 -0.288 0.000 1.074 529 D CA -0.097 53.691 54.000 -0.354 0.000 0.838 529 D CB 0.848 41.161 40.800 -0.813 0.000 1.067 529 D HN 0.333 nan 8.370 nan 0.000 0.511 530 I N 2.987 123.449 120.570 -0.180 0.000 2.418 530 I HA 0.224 4.394 4.170 0.001 0.000 0.287 530 I C -0.162 175.832 176.117 -0.205 0.000 1.008 530 I CA -0.696 60.484 61.300 -0.200 0.000 1.104 530 I CB 2.242 40.182 38.000 -0.100 0.000 1.264 530 I HN 0.168 nan 8.210 nan 0.000 0.438 531 Q N 7.939 127.543 119.800 -0.327 0.000 2.381 531 Q HA 0.584 4.925 4.340 0.001 0.000 0.263 531 Q C -1.273 174.563 176.000 -0.273 0.000 1.030 531 Q CA -0.571 55.075 55.803 -0.261 0.000 0.772 531 Q CB 1.536 30.116 28.738 -0.262 0.000 1.232 531 Q HN 0.726 nan 8.270 nan 0.000 0.476 532 I N 2.056 122.470 120.570 -0.259 0.000 2.439 532 I HA 0.671 4.842 4.170 0.001 0.000 0.283 532 I C -1.167 174.779 176.117 -0.286 0.000 1.023 532 I CA -0.661 60.374 61.300 -0.442 0.000 1.100 532 I CB 1.155 38.855 38.000 -0.500 0.000 1.238 532 I HN 0.525 nan 8.210 nan 0.000 0.445 533 K N 3.659 123.902 120.400 -0.262 0.000 3.138 533 K HA 0.389 4.710 4.320 0.001 0.000 0.309 533 K C -1.374 175.227 176.600 0.001 0.000 1.090 533 K CA -1.206 55.058 56.287 -0.039 0.000 0.816 533 K CB 0.824 33.289 32.500 -0.058 0.000 1.476 533 K HN 0.546 nan 8.250 nan 0.000 0.380 534 R N 0.510 121.040 120.500 0.051 0.000 2.679 534 R HA 0.103 4.444 4.340 0.001 0.000 0.268 534 R C -0.009 176.296 176.300 0.007 0.000 1.044 534 R CA -0.747 55.394 56.100 0.068 0.000 1.105 534 R CB 0.164 30.511 30.300 0.078 0.000 0.989 534 R HN 0.342 nan 8.270 nan 0.000 0.447 535 L N 4.932 126.171 121.223 0.028 0.000 2.485 535 L HA 0.060 4.400 4.340 0.001 0.000 0.279 535 L C -0.390 176.402 176.870 -0.130 0.000 1.124 535 L CA 0.916 55.720 54.840 -0.061 0.000 0.888 535 L CB -0.618 41.407 42.059 -0.056 0.000 1.217 535 L HN 0.564 nan 8.230 nan 0.000 0.464 536 H N 3.531 122.432 119.070 -0.280 0.000 2.717 536 H HA 0.163 4.720 4.556 0.001 0.000 0.366 536 H C 0.581 175.692 175.328 -0.361 0.000 1.132 536 H CA -0.392 55.484 56.048 -0.288 0.000 1.180 536 H CB 1.616 31.154 29.762 -0.374 0.000 1.678 536 H HN 0.664 nan 8.280 nan 0.000 0.537 537 E N 2.408 122.584 120.200 -0.041 0.000 2.136 537 E HA -0.294 4.057 4.350 0.001 0.000 0.202 537 E C 1.257 177.708 176.600 -0.248 0.000 1.019 537 E CA 2.197 58.538 56.400 -0.098 0.000 0.819 537 E CB -0.054 29.654 29.700 0.013 0.000 0.739 537 E HN 0.633 nan 8.360 nan 0.000 0.458 538 Y N 0.117 120.125 120.300 -0.487 0.000 2.497 538 Y HA -0.002 4.549 4.550 0.001 0.000 0.292 538 Y C 1.479 177.249 175.900 -0.217 0.000 1.137 538 Y CA 0.804 58.503 58.100 -0.667 0.000 1.285 538 Y CB -0.160 37.928 38.460 -0.620 0.000 0.991 538 Y HN -0.165 nan 8.280 nan 0.000 0.556 539 K N 0.761 120.843 120.400 -0.531 0.000 2.365 539 K HA 0.093 4.414 4.320 0.001 0.000 0.197 539 K C 0.121 176.677 176.600 -0.073 0.000 1.042 539 K CA 0.435 56.540 56.287 -0.303 0.000 0.987 539 K CB -0.000 32.253 32.500 -0.412 0.000 0.779 539 K HN 0.233 nan 8.250 nan 0.000 0.484 540 R N 0.486 121.002 120.500 0.026 0.000 3.336 540 R HA -0.226 4.114 4.340 0.001 0.000 0.260 540 R C 0.233 176.645 176.300 0.186 0.000 1.032 540 R CA 0.175 56.389 56.100 0.190 0.000 0.693 540 R CB -1.957 28.362 30.300 0.032 0.000 1.134 540 R HN 0.286 nan 8.270 nan 0.000 0.433 541 Q N 0.085 119.983 119.800 0.163 0.000 2.234 541 Q HA -0.175 4.165 4.340 0.001 0.000 0.206 541 Q C 2.053 178.174 176.000 0.202 0.000 0.980 541 Q CA 2.010 57.910 55.803 0.162 0.000 0.869 541 Q CB -0.200 28.565 28.738 0.045 0.000 0.912 541 Q HN 0.716 nan 8.270 nan 0.000 0.436 542 H N -0.812 118.244 119.070 -0.025 0.000 2.457 542 H HA -0.048 4.508 4.556 0.001 0.000 0.294 542 H C 1.840 177.187 175.328 0.030 0.000 1.064 542 H CA 0.901 56.933 56.048 -0.027 0.000 1.330 542 H CB -0.741 29.001 29.762 -0.033 0.000 1.395 542 H HN 0.249 nan 8.280 nan 0.000 0.541 543 L N 1.451 122.664 121.223 -0.017 0.000 1.994 543 L HA -0.125 4.215 4.340 0.001 0.000 0.208 543 L C 2.260 179.248 176.870 0.196 0.000 1.071 543 L CA 2.097 56.949 54.840 0.020 0.000 0.745 543 L CB -1.129 40.862 42.059 -0.113 0.000 0.892 543 L HN 0.416 nan 8.230 nan 0.000 0.431 544 N N -0.972 117.842 118.700 0.190 0.000 2.036 544 N HA -0.289 4.451 4.740 0.001 0.000 0.195 544 N C 2.010 177.646 175.510 0.210 0.000 1.037 544 N CA 1.670 54.908 53.050 0.315 0.000 0.855 544 N CB -0.243 38.415 38.487 0.284 0.000 1.033 544 N HN 0.354 nan 8.380 nan 0.000 0.423 545 L N 1.343 122.646 121.223 0.134 0.000 2.042 545 L HA -0.127 4.214 4.340 0.001 0.000 0.210 545 L C 2.035 178.892 176.870 -0.023 0.000 1.076 545 L CA 1.418 56.246 54.840 -0.021 0.000 0.749 545 L CB -0.559 41.427 42.059 -0.123 0.000 0.893 545 L HN 0.317 nan 8.230 nan 0.000 0.432 546 L N -1.207 120.066 121.223 0.083 0.000 2.083 546 L HA -0.271 4.070 4.340 0.001 0.000 0.209 546 L C 2.685 179.735 176.870 0.301 0.000 1.083 546 L CA 1.711 56.632 54.840 0.136 0.000 0.752 546 L CB -0.955 41.190 42.059 0.142 0.000 0.899 546 L HN 0.539 nan 8.230 nan 0.000 0.433 547 H N 0.614 119.836 119.070 0.253 0.000 2.357 547 H HA -0.148 4.409 4.556 0.001 0.000 0.301 547 H C 2.351 177.619 175.328 -0.099 0.000 1.082 547 H CA 1.694 57.789 56.048 0.078 0.000 1.342 547 H CB 0.180 29.887 29.762 -0.091 0.000 1.389 547 H HN 0.285 nan 8.280 nan 0.000 0.511 548 I N 0.781 121.126 120.570 -0.375 0.000 2.264 548 I HA -0.301 3.869 4.170 0.001 0.000 0.248 548 I C 2.534 178.478 176.117 -0.287 0.000 1.111 548 I CA 0.864 61.805 61.300 -0.599 0.000 1.382 548 I CB -0.174 37.430 38.000 -0.661 0.000 1.060 548 I HN 0.245 nan 8.210 nan 0.000 0.418 549 L N 0.231 121.368 121.223 -0.143 0.000 2.156 549 L HA -0.134 4.206 4.340 0.001 0.000 0.208 549 L C 2.794 179.680 176.870 0.026 0.000 1.095 549 L CA 1.036 55.868 54.840 -0.012 0.000 0.770 549 L CB -0.568 41.484 42.059 -0.013 0.000 0.914 549 L HN 0.218 nan 8.230 nan 0.000 0.439 550 A N 0.181 123.005 122.820 0.006 0.000 1.877 550 A HA -0.156 4.164 4.320 0.001 0.000 0.216 550 A C 2.224 179.775 177.584 -0.056 0.000 1.186 550 A CA 1.322 53.376 52.037 0.028 0.000 0.620 550 A CB -0.652 18.429 19.000 0.135 0.000 0.822 550 A HN 0.333 nan 8.150 nan 0.000 0.443 551 L N -1.859 119.253 121.223 -0.185 0.000 2.046 551 L HA -0.202 4.139 4.340 0.001 0.000 0.208 551 L C 2.644 179.527 176.870 0.022 0.000 1.077 551 L CA 1.779 56.548 54.840 -0.119 0.000 0.747 551 L CB -0.796 41.160 42.059 -0.172 0.000 0.896 551 L HN 0.563 nan 8.230 nan 0.000 0.432 552 Y N 1.487 121.720 120.300 -0.112 0.000 2.097 552 Y HA -0.326 4.224 4.550 0.001 0.000 0.282 552 Y C 2.714 178.599 175.900 -0.025 0.000 1.152 552 Y CA 1.806 59.873 58.100 -0.056 0.000 1.136 552 Y CB -0.501 37.926 38.460 -0.054 0.000 0.975 552 Y HN 0.060 nan 8.280 nan 0.000 0.498 553 K N 0.308 120.656 120.400 -0.087 0.000 2.063 553 K HA -0.273 4.047 4.320 0.001 0.000 0.208 553 K C 2.237 178.783 176.600 -0.090 0.000 1.048 553 K CA 1.903 58.096 56.287 -0.157 0.000 0.928 553 K CB -0.355 32.100 32.500 -0.075 0.000 0.713 553 K HN 0.515 nan 8.250 nan 0.000 0.442 554 E N 0.823 121.001 120.200 -0.037 0.000 2.058 554 E HA -0.205 4.146 4.350 0.001 0.000 0.194 554 E C 2.014 178.604 176.600 -0.017 0.000 0.997 554 E CA 1.857 58.245 56.400 -0.021 0.000 0.801 554 E CB -0.204 29.489 29.700 -0.012 0.000 0.746 554 E HN 0.592 nan 8.360 nan 0.000 0.450 555 I N -2.269 118.302 120.570 0.003 0.000 2.761 555 I HA -0.034 4.137 4.170 0.001 0.000 0.261 555 I C 2.388 178.506 176.117 0.002 0.000 1.198 555 I CA 0.652 61.964 61.300 0.020 0.000 1.482 555 I CB -0.251 37.782 38.000 0.056 0.000 1.100 555 I HN -0.037 nan 8.210 nan 0.000 0.445 556 R N 1.367 121.835 120.500 -0.053 0.000 2.073 556 R HA -0.036 4.304 4.340 0.001 0.000 0.229 556 R C 1.881 178.139 176.300 -0.069 0.000 1.120 556 R CA 1.481 57.525 56.100 -0.093 0.000 0.967 556 R CB 0.051 30.203 30.300 -0.246 0.000 0.862 556 R HN 0.464 nan 8.270 nan 0.000 0.436 557 E N -0.691 119.470 120.200 -0.066 0.000 2.474 557 E HA -0.006 4.345 4.350 0.001 0.000 0.194 557 E C -0.406 176.178 176.600 -0.027 0.000 1.041 557 E CA 0.028 56.399 56.400 -0.048 0.000 0.874 557 E CB 0.389 30.060 29.700 -0.048 0.000 0.914 557 E HN 0.029 nan 8.360 nan 0.000 0.498 558 N N 0.215 118.903 118.700 -0.020 0.000 2.607 558 N HA 0.099 4.840 4.740 0.001 0.000 0.271 558 N C -2.236 173.271 175.510 -0.005 0.000 1.142 558 N CA -1.984 51.059 53.050 -0.010 0.000 0.810 558 N CB 1.305 39.788 38.487 -0.007 0.000 1.306 558 N HN -0.250 nan 8.380 nan 0.000 0.536 559 P HA -0.149 nan 4.420 nan 0.000 0.218 559 P C 0.459 177.762 177.300 0.004 0.000 1.146 559 P CA 1.221 64.323 63.100 0.003 0.000 0.813 559 P CB 0.574 32.276 31.700 0.003 0.000 0.778 560 Q N -0.725 119.077 119.800 0.002 0.000 2.403 560 Q HA 0.291 4.631 4.340 0.001 0.000 0.203 560 Q C 0.661 176.663 176.000 0.003 0.000 0.932 560 Q CA -0.169 55.636 55.803 0.003 0.000 0.945 560 Q CB -0.453 28.286 28.738 0.002 0.000 1.045 560 Q HN 0.176 nan 8.270 nan 0.000 0.511 561 A N 0.891 123.713 122.820 0.003 0.000 2.540 561 A HA -0.002 4.319 4.320 0.001 0.000 0.239 561 A C -0.265 177.320 177.584 0.002 0.000 1.061 561 A CA 0.097 52.135 52.037 0.002 0.000 0.758 561 A CB 0.096 19.096 19.000 0.002 0.000 0.991 561 A HN 0.167 nan 8.150 nan 0.000 0.502 562 D N 1.498 121.899 120.400 0.002 0.000 2.557 562 D HA 0.302 4.943 4.640 0.001 0.000 0.236 562 D C -0.182 176.117 176.300 -0.001 0.000 1.154 562 D CA -0.120 53.881 54.000 0.002 0.000 0.985 562 D CB 0.012 40.815 40.800 0.005 0.000 1.010 562 D HN 0.333 nan 8.370 nan 0.000 0.516 563 R N 1.129 121.626 120.500 -0.006 0.000 2.637 563 R HA 0.398 4.739 4.340 0.001 0.000 0.291 563 R C -0.567 175.716 176.300 -0.027 0.000 0.963 563 R CA -1.075 55.015 56.100 -0.016 0.000 0.901 563 R CB 1.523 31.815 30.300 -0.014 0.000 1.160 563 R HN 0.216 nan 8.270 nan 0.000 0.457 564 V N 2.337 122.220 119.914 -0.051 0.000 2.715 564 V HA 0.305 4.426 4.120 0.001 0.000 0.299 564 V C -2.059 173.974 176.094 -0.103 0.000 1.054 564 V CA -1.516 60.737 62.300 -0.079 0.000 1.077 564 V CB 0.621 32.385 31.823 -0.099 0.000 0.972 564 V HN 0.556 nan 8.190 nan 0.000 0.484 565 P HA 0.260 nan 4.420 nan 0.000 0.266 565 P C -0.818 176.394 177.300 -0.146 0.000 1.193 565 P CA 0.266 63.319 63.100 -0.078 0.000 0.770 565 P CB 0.273 31.946 31.700 -0.045 0.000 0.836 566 R N 0.948 121.373 120.500 -0.124 0.000 2.698 566 R HA 0.594 4.935 4.340 0.001 0.000 0.275 566 R C -1.513 174.679 176.300 -0.179 0.000 1.001 566 R CA -1.052 54.906 56.100 -0.237 0.000 0.896 566 R CB 2.121 32.200 30.300 -0.367 0.000 1.218 566 R HN 0.165 nan 8.270 nan 0.000 0.462 567 V N 3.276 123.037 119.914 -0.256 0.000 2.378 567 V HA 0.395 4.516 4.120 0.001 0.000 0.288 567 V C -0.784 175.048 176.094 -0.437 0.000 1.016 567 V CA -0.617 61.524 62.300 -0.264 0.000 0.840 567 V CB 1.153 32.751 31.823 -0.375 0.000 0.994 567 V HN 0.515 nan 8.190 nan 0.000 0.431 568 F N 5.727 125.561 119.950 -0.193 0.000 2.404 568 F HA 0.551 5.078 4.527 0.001 0.000 0.358 568 F C 0.052 175.666 175.800 -0.310 0.000 1.120 568 F CA -0.285 57.556 58.000 -0.264 0.000 1.144 568 F CB 0.978 39.853 39.000 -0.208 0.000 1.133 568 F HN 0.243 nan 8.300 nan 0.000 0.495 569 L N 4.741 125.785 121.223 -0.298 0.000 2.307 569 L HA 0.528 4.868 4.340 0.001 0.000 0.284 569 L C -0.866 175.732 176.870 -0.453 0.000 1.023 569 L CA -0.366 54.320 54.840 -0.257 0.000 0.810 569 L CB 1.001 42.933 42.059 -0.212 0.000 1.231 569 L HN 0.371 nan 8.230 nan 0.000 0.423 570 F N 0.680 120.461 119.950 -0.282 0.000 2.532 570 F HA 0.785 5.312 4.527 0.001 0.000 0.321 570 F C 0.653 176.178 175.800 -0.458 0.000 1.089 570 F CA -0.736 56.948 58.000 -0.527 0.000 0.926 570 F CB 2.284 40.623 39.000 -1.101 0.000 1.168 570 F HN 0.406 nan 8.300 nan 0.000 0.459 571 G N 1.066 109.716 108.800 -0.250 0.000 2.643 571 G HA2 0.784 4.745 3.960 0.001 0.000 0.305 571 G HA3 0.784 4.745 3.960 0.001 0.000 0.305 571 G C -1.876 172.910 174.900 -0.191 0.000 1.387 571 G CA -0.919 44.093 45.100 -0.147 0.000 0.982 571 G HN 0.988 nan 8.290 nan 0.000 0.501 572 A N 2.070 125.054 122.820 0.272 0.000 2.580 572 A HA 0.692 5.012 4.320 0.001 0.000 0.301 572 A C -0.952 176.871 177.584 0.399 0.000 1.054 572 A CA -0.819 51.390 52.037 0.286 0.000 0.751 572 A CB 1.231 20.363 19.000 0.220 0.000 1.275 572 A HN 0.602 nan 8.150 nan 0.000 0.403 573 K N 0.852 121.412 120.400 0.267 0.000 2.207 573 K HA 0.756 5.077 4.320 0.001 0.000 0.255 573 K C -0.241 176.498 176.600 0.232 0.000 0.941 573 K CA -0.469 55.967 56.287 0.249 0.000 0.825 573 K CB 2.459 34.995 32.500 0.060 0.000 1.119 573 K HN 0.975 nan 8.250 nan 0.000 0.430 574 A N 1.721 124.710 122.820 0.280 0.000 2.288 574 A HA 0.617 4.938 4.320 0.001 0.000 0.320 574 A C -0.160 177.579 177.584 0.258 0.000 1.217 574 A CA -0.658 51.468 52.037 0.150 0.000 0.840 574 A CB 0.835 19.841 19.000 0.009 0.000 1.179 574 A HN 0.815 nan 8.150 nan 0.000 0.504 575 A N 4.346 127.308 122.820 0.237 0.000 2.587 575 A HA 0.391 4.711 4.320 0.001 0.000 0.233 575 A C -0.955 176.697 177.584 0.114 0.000 1.049 575 A CA -0.269 51.915 52.037 0.245 0.000 0.754 575 A CB -0.204 18.910 19.000 0.190 0.000 0.977 575 A HN 0.662 nan 8.150 nan 0.000 0.509 576 P HA -0.088 nan 4.420 nan 0.000 0.222 576 P C 1.221 178.429 177.300 -0.154 0.000 1.147 576 P CA 1.785 64.817 63.100 -0.115 0.000 0.790 576 P CB 0.003 31.631 31.700 -0.121 0.000 0.780 577 G N -2.306 106.397 108.800 -0.162 0.000 2.985 577 G HA2 -0.138 3.823 3.960 0.001 0.000 0.209 577 G HA3 -0.138 3.823 3.960 0.001 0.000 0.209 577 G C -0.005 174.563 174.900 -0.555 0.000 1.165 577 G CA 0.011 44.891 45.100 -0.367 0.000 0.776 577 G HN 0.173 nan 8.290 nan 0.000 0.541 578 Y N 2.099 122.133 120.300 -0.444 0.000 2.821 578 Y HA 0.425 4.975 4.550 0.001 0.000 0.331 578 Y C 0.613 176.355 175.900 -0.263 0.000 1.251 578 Y CA -2.618 55.284 58.100 -0.329 0.000 1.494 578 Y CB -0.417 37.922 38.460 -0.200 0.000 1.493 578 Y HN 0.199 nan 8.280 nan 0.000 0.496 579 Y N 1.839 122.275 120.300 0.227 0.000 2.207 579 Y HA -0.266 4.285 4.550 0.001 0.000 0.287 579 Y C 2.113 178.052 175.900 0.065 0.000 1.156 579 Y CA 1.412 59.571 58.100 0.097 0.000 1.182 579 Y CB -0.756 37.744 38.460 0.066 0.000 0.979 579 Y HN 0.500 nan 8.280 nan 0.000 0.521 580 L N 0.473 121.849 121.223 0.255 0.000 2.017 580 L HA -0.082 4.258 4.340 0.001 0.000 0.208 580 L C 2.358 179.137 176.870 -0.152 0.000 1.073 580 L CA 1.969 56.872 54.840 0.105 0.000 0.745 580 L CB -1.210 40.966 42.059 0.195 0.000 0.894 580 L HN 0.117 nan 8.230 nan 0.000 0.432 581 A N -0.488 122.008 122.820 -0.540 0.000 1.940 581 A HA -0.248 4.073 4.320 0.001 0.000 0.219 581 A C 2.321 179.737 177.584 -0.279 0.000 1.176 581 A CA 2.048 53.684 52.037 -0.669 0.000 0.631 581 A CB -0.568 17.684 19.000 -1.248 0.000 0.814 581 A HN 0.558 nan 8.150 nan 0.000 0.446 582 K N -0.506 119.805 120.400 -0.148 0.000 2.211 582 K HA -0.099 4.222 4.320 0.001 0.000 0.203 582 K C 1.939 178.563 176.600 0.040 0.000 1.050 582 K CA 1.111 57.384 56.287 -0.024 0.000 0.945 582 K CB -0.205 32.309 32.500 0.022 0.000 0.732 582 K HN 0.618 nan 8.250 nan 0.000 0.451 583 N N 1.088 119.826 118.700 0.064 0.000 2.250 583 N HA -0.078 4.662 4.740 0.001 0.000 0.181 583 N C 1.814 177.408 175.510 0.139 0.000 1.017 583 N CA 0.612 53.767 53.050 0.174 0.000 0.866 583 N CB 0.128 38.716 38.487 0.168 0.000 0.985 583 N HN 0.084 nan 8.380 nan 0.000 0.429 584 I N 1.278 121.838 120.570 -0.017 0.000 2.208 584 I HA -0.274 3.897 4.170 0.001 0.000 0.245 584 I C 2.202 178.264 176.117 -0.093 0.000 1.097 584 I CA 0.894 62.132 61.300 -0.104 0.000 1.363 584 I CB -0.165 37.699 38.000 -0.228 0.000 1.051 584 I HN 0.164 nan 8.210 nan 0.000 0.413 585 I N -0.002 120.547 120.570 -0.036 0.000 2.127 585 I HA -0.356 3.814 4.170 0.001 0.000 0.241 585 I C 2.541 178.616 176.117 -0.070 0.000 1.075 585 I CA 1.530 62.814 61.300 -0.027 0.000 1.334 585 I CB -0.479 37.492 38.000 -0.048 0.000 1.040 585 I HN 0.178 nan 8.210 nan 0.000 0.405 586 F N 2.018 121.891 119.950 -0.129 0.000 2.087 586 F HA -0.323 4.205 4.527 0.001 0.000 0.299 586 F C 2.468 178.257 175.800 -0.019 0.000 1.100 586 F CA 1.488 59.461 58.000 -0.046 0.000 1.226 586 F CB -0.836 38.210 39.000 0.077 0.000 0.983 586 F HN 0.053 nan 8.300 nan 0.000 0.479 587 A N 0.558 123.264 122.820 -0.191 0.000 1.877 587 A HA -0.171 4.150 4.320 0.001 0.000 0.216 587 A C 2.404 179.637 177.584 -0.586 0.000 1.186 587 A CA 1.984 53.577 52.037 -0.740 0.000 0.620 587 A CB -1.259 17.245 19.000 -0.827 0.000 0.822 587 A HN 0.481 nan 8.150 nan 0.000 0.443 588 I N 0.051 120.373 120.570 -0.413 0.000 2.163 588 I HA -0.295 3.876 4.170 0.001 0.000 0.243 588 I C 2.219 178.142 176.117 -0.324 0.000 1.085 588 I CA 1.393 62.444 61.300 -0.415 0.000 1.347 588 I CB -0.413 37.280 38.000 -0.512 0.000 1.044 588 I HN 0.329 nan 8.210 nan 0.000 0.408 589 N N 0.457 118.992 118.700 -0.274 0.000 2.216 589 N HA -0.113 4.628 4.740 0.001 0.000 0.183 589 N C 1.814 177.210 175.510 -0.191 0.000 1.017 589 N CA 0.952 53.860 53.050 -0.237 0.000 0.861 589 N CB -0.071 38.212 38.487 -0.341 0.000 0.986 589 N HN 0.209 nan 8.380 nan 0.000 0.428 590 K N 0.836 121.098 120.400 -0.230 0.000 2.057 590 K HA 0.051 4.372 4.320 0.001 0.000 0.206 590 K C 2.083 178.591 176.600 -0.153 0.000 1.050 590 K CA 0.360 56.554 56.287 -0.154 0.000 0.935 590 K CB -0.722 31.685 32.500 -0.156 0.000 0.715 590 K HN -0.000 nan 8.250 nan 0.000 0.439 591 V N 1.571 121.258 119.914 -0.378 0.000 2.358 591 V HA -0.216 3.905 4.120 0.001 0.000 0.246 591 V C 2.425 178.312 176.094 -0.344 0.000 1.047 591 V CA 1.854 63.804 62.300 -0.583 0.000 1.035 591 V CB -0.792 30.553 31.823 -0.796 0.000 0.658 591 V HN 0.257 nan 8.190 nan 0.000 0.452 592 A N -0.006 122.660 122.820 -0.257 0.000 1.883 592 A HA -0.298 4.023 4.320 0.001 0.000 0.217 592 A C 2.000 179.512 177.584 -0.121 0.000 1.186 592 A CA 2.237 54.175 52.037 -0.166 0.000 0.624 592 A CB -0.732 18.209 19.000 -0.097 0.000 0.822 592 A HN 0.531 nan 8.150 nan 0.000 0.444 593 D N -0.566 119.783 120.400 -0.085 0.000 2.149 593 D HA -0.092 4.549 4.640 0.001 0.000 0.198 593 D C 2.027 178.316 176.300 -0.019 0.000 0.990 593 D CA 1.345 55.324 54.000 -0.035 0.000 0.839 593 D CB -0.260 40.536 40.800 -0.007 0.000 0.948 593 D HN 0.241 nan 8.370 nan 0.000 0.460 594 V N 0.712 120.626 119.914 0.001 0.000 2.346 594 V HA -0.144 3.976 4.120 0.001 0.000 0.244 594 V C 2.505 178.559 176.094 -0.066 0.000 1.037 594 V CA 0.806 63.139 62.300 0.055 0.000 1.029 594 V CB -0.231 31.754 31.823 0.269 0.000 0.663 594 V HN 0.140 nan 8.190 nan 0.000 0.454 595 I N 0.869 121.281 120.570 -0.265 0.000 2.151 595 I HA -0.272 3.899 4.170 0.001 0.000 0.243 595 I C 2.224 178.211 176.117 -0.217 0.000 1.080 595 I CA 1.631 62.642 61.300 -0.482 0.000 1.339 595 I CB -0.465 37.187 38.000 -0.580 0.000 1.039 595 I HN 0.359 nan 8.210 nan 0.000 0.409 596 N N 0.712 119.333 118.700 -0.132 0.000 2.381 596 N HA -0.099 4.641 4.740 0.001 0.000 0.182 596 N C 0.921 176.410 175.510 -0.035 0.000 1.025 596 N CA 0.892 53.901 53.050 -0.068 0.000 0.888 596 N CB -0.313 38.147 38.487 -0.045 0.000 0.965 596 N HN 0.413 nan 8.380 nan 0.000 0.438 597 N N 0.449 119.134 118.700 -0.025 0.000 2.204 597 N HA -0.021 4.720 4.740 0.001 0.000 0.219 597 N C -0.717 174.805 175.510 0.020 0.000 1.151 597 N CA -0.025 53.026 53.050 0.002 0.000 0.867 597 N CB 0.675 39.168 38.487 0.009 0.000 1.043 597 N HN 0.099 nan 8.380 nan 0.000 0.516 598 D N 1.925 122.339 120.400 0.024 0.000 2.380 598 D HA 0.163 4.803 4.640 0.001 0.000 0.230 598 D C -1.377 174.958 176.300 0.058 0.000 1.154 598 D CA -2.040 52.001 54.000 0.068 0.000 0.859 598 D CB 1.746 42.632 40.800 0.142 0.000 1.045 598 D HN 0.025 nan 8.370 nan 0.000 0.495 599 P HA -0.147 nan 4.420 nan 0.000 0.221 599 P C 1.613 178.939 177.300 0.042 0.000 1.145 599 P CA 0.091 63.213 63.100 0.037 0.000 0.795 599 P CB 0.514 32.231 31.700 0.029 0.000 0.775 600 L N -0.795 120.462 121.223 0.057 0.000 2.191 600 L HA -0.088 4.252 4.340 0.001 0.000 0.212 600 L C 2.392 179.306 176.870 0.073 0.000 1.103 600 L CA 1.370 56.247 54.840 0.061 0.000 0.769 600 L CB -1.356 40.744 42.059 0.069 0.000 0.908 600 L HN -0.103 nan 8.230 nan 0.000 0.438 601 V N -1.454 118.512 119.914 0.087 0.000 2.436 601 V HA 0.264 4.384 4.120 0.001 0.000 0.240 601 V C 1.974 178.094 176.094 0.042 0.000 1.040 601 V CA 0.886 63.234 62.300 0.079 0.000 1.052 601 V CB -0.726 31.145 31.823 0.079 0.000 0.707 601 V HN 0.527 nan 8.190 nan 0.000 0.469 602 G N 0.839 109.658 108.800 0.031 0.000 2.672 602 G HA2 -0.411 3.550 3.960 0.001 0.000 0.324 602 G HA3 -0.411 3.550 3.960 0.001 0.000 0.324 602 G C 0.503 175.411 174.900 0.013 0.000 1.286 602 G CA 0.812 45.923 45.100 0.019 0.000 1.004 602 G HN 0.410 nan 8.290 nan 0.000 0.548 603 D N 0.832 121.240 120.400 0.014 0.000 2.336 603 D HA 0.149 4.789 4.640 0.001 0.000 0.229 603 D C 2.281 178.586 176.300 0.009 0.000 1.061 603 D CA 0.435 54.443 54.000 0.012 0.000 0.875 603 D CB 0.092 40.901 40.800 0.015 0.000 0.904 603 D HN 0.510 nan 8.370 nan 0.000 0.525 604 K N -0.457 119.951 120.400 0.013 0.000 2.288 604 K HA 0.103 4.424 4.320 0.001 0.000 0.201 604 K C 0.508 177.117 176.600 0.015 0.000 1.048 604 K CA 0.599 56.894 56.287 0.012 0.000 0.956 604 K CB 1.003 33.519 32.500 0.026 0.000 0.746 604 K HN 0.057 nan 8.250 nan 0.000 0.461 605 L N 0.866 122.099 121.223 0.016 0.000 2.588 605 L HA 0.298 4.639 4.340 0.001 0.000 0.263 605 L C -1.669 175.201 176.870 -0.000 0.000 0.935 605 L CA -0.643 54.213 54.840 0.027 0.000 0.891 605 L CB 1.770 43.845 42.059 0.027 0.000 1.318 605 L HN -0.110 nan 8.230 nan 0.000 0.409 606 K N 3.263 123.674 120.400 0.019 0.000 2.477 606 K HA 0.712 5.033 4.320 0.001 0.000 0.255 606 K C -1.415 175.213 176.600 0.048 0.000 0.952 606 K CA -0.694 55.590 56.287 -0.005 0.000 0.826 606 K CB 3.144 35.625 32.500 -0.032 0.000 1.331 606 K HN 0.271 nan 8.250 nan 0.000 0.437 607 V N 1.725 121.655 119.914 0.027 0.000 2.482 607 V HA 0.383 4.503 4.120 0.001 0.000 0.295 607 V C -0.731 175.412 176.094 0.081 0.000 1.026 607 V CA -0.949 61.407 62.300 0.093 0.000 0.856 607 V CB 1.933 33.789 31.823 0.055 0.000 1.001 607 V HN 0.428 nan 8.190 nan 0.000 0.424 608 V N 5.434 125.415 119.914 0.112 0.000 2.376 608 V HA 0.423 4.543 4.120 0.001 0.000 0.287 608 V C -0.744 175.494 176.094 0.240 0.000 1.015 608 V CA -0.457 61.914 62.300 0.118 0.000 0.834 608 V CB 1.686 33.524 31.823 0.025 0.000 1.001 608 V HN 0.702 nan 8.190 nan 0.000 0.428 609 F N 6.082 126.107 119.950 0.125 0.000 2.377 609 F HA 0.468 4.995 4.527 0.001 0.000 0.360 609 F C 0.242 176.208 175.800 0.276 0.000 1.147 609 F CA -1.305 56.803 58.000 0.179 0.000 1.170 609 F CB 0.493 39.467 39.000 -0.043 0.000 1.339 609 F HN 0.284 nan 8.300 nan 0.000 0.552 610 L N 8.193 129.765 121.223 0.581 0.000 2.433 610 L HA 0.179 4.519 4.340 0.001 0.000 0.275 610 L C -1.941 175.212 176.870 0.472 0.000 1.128 610 L CA -1.450 53.636 54.840 0.409 0.000 0.875 610 L CB 0.300 42.542 42.059 0.305 0.000 1.171 610 L HN 0.349 nan 8.230 nan 0.000 0.463 611 P HA 0.089 nan 4.420 nan 0.000 0.275 611 P C -0.227 177.067 177.300 -0.011 0.000 1.228 611 P CA -0.110 62.899 63.100 -0.152 0.000 0.786 611 P CB 0.823 32.200 31.700 -0.539 0.000 0.927 612 D N -0.429 119.954 120.400 -0.029 0.000 2.739 612 D HA -0.228 4.413 4.640 0.001 0.000 0.240 612 D C -0.780 175.596 176.300 0.127 0.000 1.114 612 D CA 0.441 54.452 54.000 0.018 0.000 0.695 612 D CB -2.084 38.701 40.800 -0.026 0.000 1.078 612 D HN 0.326 nan 8.370 nan 0.000 0.434 613 Y N 0.787 121.139 120.300 0.086 0.000 2.810 613 Y HA 0.212 4.763 4.550 0.001 0.000 0.332 613 Y C 0.933 176.859 175.900 0.043 0.000 1.243 613 Y CA 0.386 58.549 58.100 0.105 0.000 1.537 613 Y CB 0.098 38.640 38.460 0.136 0.000 1.265 613 Y HN 0.474 nan 8.280 nan 0.000 0.572 614 C N 3.003 122.010 119.300 -0.488 0.000 3.259 614 C HA 0.392 4.853 4.460 0.001 0.000 0.344 614 C C 0.858 175.622 174.990 -0.377 0.000 1.401 614 C CA -0.539 58.253 59.018 -0.376 0.000 1.219 614 C CB 0.451 28.093 27.740 -0.163 0.000 1.521 614 C HN 0.645 nan 8.230 nan 0.000 0.455 615 V N 1.598 121.391 119.914 -0.202 0.000 2.332 615 V HA -0.169 3.951 4.120 0.001 0.000 0.248 615 V C 2.684 178.756 176.094 -0.037 0.000 1.055 615 V CA 3.060 65.329 62.300 -0.051 0.000 1.038 615 V CB -0.859 30.948 31.823 -0.026 0.000 0.651 615 V HN 0.969 nan 8.190 nan 0.000 0.450 616 S N -0.191 115.463 115.700 -0.076 0.000 2.370 616 S HA -0.187 4.283 4.470 0.001 0.000 0.226 616 S C 2.190 176.739 174.600 -0.085 0.000 1.033 616 S CA 1.455 59.610 58.200 -0.076 0.000 1.011 616 S CB -0.455 62.714 63.200 -0.052 0.000 0.852 616 S HN 0.674 nan 8.310 nan 0.000 0.457 617 A N 1.548 124.362 122.820 -0.010 0.000 1.873 617 A HA 0.129 4.449 4.320 0.001 0.000 0.215 617 A C 2.376 180.034 177.584 0.123 0.000 1.186 617 A CA 1.679 53.769 52.037 0.088 0.000 0.616 617 A CB -1.170 18.017 19.000 0.311 0.000 0.823 617 A HN 0.514 nan 8.150 nan 0.000 0.442 618 A N 0.001 122.904 122.820 0.139 0.000 1.917 618 A HA -0.238 4.082 4.320 0.001 0.000 0.219 618 A C 1.871 179.641 177.584 0.310 0.000 1.182 618 A CA 1.840 54.055 52.037 0.296 0.000 0.633 618 A CB -0.634 18.530 19.000 0.274 0.000 0.819 618 A HN 0.658 nan 8.150 nan 0.000 0.448 619 E N -0.432 119.899 120.200 0.219 0.000 2.204 619 E HA -0.157 4.193 4.350 0.001 0.000 0.195 619 E C 1.883 178.491 176.600 0.015 0.000 0.990 619 E CA 1.089 57.560 56.400 0.119 0.000 0.821 619 E CB -0.029 29.627 29.700 -0.075 0.000 0.750 619 E HN 0.551 nan 8.360 nan 0.000 0.477 620 K N 0.192 120.539 120.400 -0.089 0.000 2.128 620 K HA 0.008 4.329 4.320 0.001 0.000 0.202 620 K C 2.196 178.796 176.600 0.001 0.000 1.050 620 K CA 0.470 56.662 56.287 -0.158 0.000 0.966 620 K CB 0.030 32.203 32.500 -0.544 0.000 0.759 620 K HN 0.118 nan 8.250 nan 0.000 0.454 621 L N 0.955 122.224 121.223 0.078 0.000 2.044 621 L HA -0.099 4.241 4.340 0.001 0.000 0.205 621 L C 2.428 179.371 176.870 0.123 0.000 1.075 621 L CA 1.008 55.927 54.840 0.133 0.000 0.747 621 L CB -0.417 41.741 42.059 0.164 0.000 0.903 621 L HN 0.031 nan 8.230 nan 0.000 0.435 622 I N -0.197 120.452 120.570 0.132 0.000 2.127 622 I HA -0.219 3.951 4.170 0.001 0.000 0.241 622 I C -0.440 175.733 176.117 0.092 0.000 1.075 622 I CA 1.514 62.879 61.300 0.107 0.000 1.334 622 I CB -1.145 36.926 38.000 0.119 0.000 1.040 622 I HN 0.180 nan 8.210 nan 0.000 0.405 623 P HA -0.121 nan 4.420 nan 0.000 0.225 623 P C 0.743 178.066 177.300 0.039 0.000 1.148 623 P CA 1.210 64.338 63.100 0.046 0.000 0.779 623 P CB 0.054 31.770 31.700 0.028 0.000 0.780 624 A N -1.237 121.634 122.820 0.085 0.000 2.348 624 A HA 0.503 4.824 4.320 0.001 0.000 0.224 624 A C 1.111 178.786 177.584 0.151 0.000 1.227 624 A CA 0.010 52.115 52.037 0.114 0.000 0.885 624 A CB -0.539 18.594 19.000 0.222 0.000 0.933 624 A HN 0.175 nan 8.150 nan 0.000 0.506 625 A N 0.327 123.228 122.820 0.135 0.000 2.477 625 A HA 0.397 4.717 4.320 0.001 0.000 0.246 625 A C 0.436 178.113 177.584 0.155 0.000 1.078 625 A CA 0.093 52.214 52.037 0.140 0.000 0.770 625 A CB 0.221 19.277 19.000 0.092 0.000 1.011 625 A HN 0.326 nan 8.150 nan 0.000 0.494 626 D N 0.772 121.277 120.400 0.175 0.000 2.369 626 D HA 0.110 4.751 4.640 0.001 0.000 0.231 626 D C 0.225 176.734 176.300 0.349 0.000 0.967 626 D CA 0.981 55.170 54.000 0.315 0.000 0.905 626 D CB 0.194 41.106 40.800 0.186 0.000 1.044 626 D HN 0.380 nan 8.370 nan 0.000 0.487 627 I N 1.114 121.783 120.570 0.166 0.000 2.378 627 I HA 0.142 4.313 4.170 0.001 0.000 0.291 627 I C -0.039 176.106 176.117 0.047 0.000 0.992 627 I CA -0.467 60.899 61.300 0.109 0.000 1.154 627 I CB 1.664 39.662 38.000 -0.004 0.000 1.315 627 I HN -0.223 nan 8.210 nan 0.000 0.448 628 S N 6.609 122.344 115.700 0.058 0.000 2.420 628 S HA 0.300 4.771 4.470 0.001 0.000 0.313 628 S C -0.186 174.435 174.600 0.036 0.000 1.079 628 S CA -0.577 57.638 58.200 0.025 0.000 1.104 628 S CB 0.358 63.570 63.200 0.019 0.000 0.969 628 S HN 0.408 nan 8.310 nan 0.000 0.471 629 E N 3.995 124.201 120.200 0.011 0.000 2.152 629 E HA 0.215 4.566 4.350 0.001 0.000 0.285 629 E C -0.459 176.159 176.600 0.030 0.000 1.043 629 E CA -0.317 56.111 56.400 0.048 0.000 0.839 629 E CB 1.028 30.741 29.700 0.021 0.000 1.069 629 E HN 0.620 nan 8.360 nan 0.000 0.399 630 Q N 2.830 122.671 119.800 0.068 0.000 3.122 630 Q HA 0.249 4.590 4.340 0.001 0.000 0.282 630 Q C 0.624 176.653 176.000 0.049 0.000 0.947 630 Q CA -0.092 55.731 55.803 0.032 0.000 0.812 630 Q CB 0.215 28.959 28.738 0.010 0.000 1.333 630 Q HN 0.618 nan 8.270 nan 0.000 0.430 631 I N -1.863 118.732 120.570 0.041 0.000 3.816 631 I HA 0.267 4.438 4.170 0.001 0.000 0.334 631 I C 0.520 176.638 176.117 0.001 0.000 1.551 631 I CA -0.604 60.725 61.300 0.049 0.000 1.153 631 I CB 0.466 38.463 38.000 -0.005 0.000 1.197 631 I HN 0.008 nan 8.210 nan 0.000 0.439 632 S N 0.560 116.269 115.700 0.015 0.000 2.576 632 S HA 0.155 4.626 4.470 0.001 0.000 0.272 632 S C 0.558 175.183 174.600 0.042 0.000 1.352 632 S CA -0.206 58.038 58.200 0.074 0.000 1.021 632 S CB 0.263 63.571 63.200 0.180 0.000 0.887 632 S HN 0.382 nan 8.310 nan 0.000 0.542 633 T N 2.565 117.185 114.554 0.109 0.000 2.888 633 T HA 0.432 4.783 4.350 0.001 0.000 0.301 633 T C 0.646 175.361 174.700 0.025 0.000 1.001 633 T CA 0.204 62.353 62.100 0.081 0.000 1.147 633 T CB 0.175 69.172 68.868 0.215 0.000 0.931 633 T HN 0.981 nan 8.240 nan 0.000 0.541 634 A N 2.565 125.366 122.820 -0.032 0.000 2.520 634 A HA 0.515 4.835 4.320 0.001 0.000 0.245 634 A C 1.586 179.143 177.584 -0.044 0.000 1.072 634 A CA 0.229 52.234 52.037 -0.053 0.000 0.761 634 A CB -0.717 18.241 19.000 -0.069 0.000 1.004 634 A HN 1.555 nan 8.150 nan 0.000 0.499 635 G N 1.863 110.634 108.800 -0.049 0.000 2.194 635 G HA2 -0.196 3.764 3.960 0.001 0.000 0.236 635 G HA3 -0.196 3.764 3.960 0.001 0.000 0.236 635 G C 0.857 175.706 174.900 -0.085 0.000 0.987 635 G CA 0.545 45.613 45.100 -0.053 0.000 0.635 635 G HN 0.657 nan 8.290 nan 0.000 0.520 636 K N 0.063 120.387 120.400 -0.126 0.000 2.350 636 K HA 0.219 4.540 4.320 0.001 0.000 0.196 636 K C 0.694 176.964 176.600 -0.551 0.000 1.084 636 K CA 0.341 56.431 56.287 -0.329 0.000 0.967 636 K CB 0.456 32.788 32.500 -0.280 0.000 0.950 636 K HN 0.393 nan 8.250 nan 0.000 0.512 637 E N 1.392 121.447 120.200 -0.241 0.000 2.105 637 E HA 0.285 4.635 4.350 0.001 0.000 0.285 637 E C 0.618 177.132 176.600 -0.143 0.000 1.055 637 E CA -0.128 56.203 56.400 -0.115 0.000 0.843 637 E CB 1.170 30.911 29.700 0.068 0.000 1.067 637 E HN 0.164 nan 8.360 nan 0.000 0.398 638 A N 3.439 126.112 122.820 -0.244 0.000 1.865 638 A HA -0.158 4.163 4.320 0.001 0.000 0.217 638 A C 1.935 179.402 177.584 -0.195 0.000 1.191 638 A CA 2.056 53.844 52.037 -0.416 0.000 0.623 638 A CB -0.296 18.120 19.000 -0.973 0.000 0.826 638 A HN 0.605 nan 8.150 nan 0.000 0.444 639 S N -3.545 112.084 115.700 -0.118 0.000 4.098 639 S HA 0.472 4.943 4.470 0.001 0.000 0.193 639 S C 0.641 175.222 174.600 -0.032 0.000 1.049 639 S CA 1.480 59.658 58.200 -0.036 0.000 1.034 639 S CB 0.045 63.249 63.200 0.007 0.000 1.380 639 S HN 2.238 nan 8.310 nan 0.000 0.629 640 G N 0.247 109.031 108.800 -0.026 0.000 2.785 640 G HA2 -0.007 3.953 3.960 0.001 0.000 0.686 640 G HA3 -0.007 3.953 3.960 0.001 0.000 0.686 640 G C 0.193 175.053 174.900 -0.067 0.000 1.155 640 G CA 0.421 45.497 45.100 -0.041 0.000 0.760 640 G HN 1.249 nan 8.290 nan 0.000 0.624 641 T N -1.371 113.128 114.554 -0.093 0.000 3.010 641 T HA 0.366 4.717 4.350 0.001 0.000 0.253 641 T C 2.463 177.037 174.700 -0.211 0.000 0.939 641 T CA 1.264 63.283 62.100 -0.135 0.000 0.910 641 T CB 0.177 68.977 68.868 -0.113 0.000 1.226 641 T HN 1.888 nan 8.240 nan 0.000 0.508 642 G N 3.542 112.225 108.800 -0.195 0.000 2.505 642 G HA2 -0.351 3.609 3.960 0.001 0.000 0.220 642 G HA3 -0.351 3.609 3.960 0.001 0.000 0.220 642 G C 1.552 176.343 174.900 -0.181 0.000 1.145 642 G CA 1.567 46.540 45.100 -0.211 0.000 0.761 642 G HN 0.697 nan 8.290 nan 0.000 0.571 643 N N 1.005 119.612 118.700 -0.155 0.000 2.094 643 N HA -0.178 4.563 4.740 0.001 0.000 0.191 643 N C 2.046 177.431 175.510 -0.208 0.000 1.023 643 N CA 2.060 55.016 53.050 -0.156 0.000 0.857 643 N CB -0.764 37.633 38.487 -0.149 0.000 1.013 643 N HN 0.429 nan 8.380 nan 0.000 0.426 644 M N 0.156 119.593 119.600 -0.272 0.000 2.132 644 M HA -0.012 4.469 4.480 0.001 0.000 0.263 644 M C 2.037 178.241 176.300 -0.159 0.000 1.065 644 M CA 1.512 56.633 55.300 -0.298 0.000 1.122 644 M CB -0.204 32.225 32.600 -0.286 0.000 1.365 644 M HN 0.114 nan 8.290 nan 0.000 0.411 645 K N 0.523 120.804 120.400 -0.199 0.000 2.057 645 K HA -0.106 4.215 4.320 0.001 0.000 0.207 645 K C 1.846 178.401 176.600 -0.075 0.000 1.049 645 K CA 1.209 57.390 56.287 -0.177 0.000 0.931 645 K CB -0.293 31.955 32.500 -0.420 0.000 0.714 645 K HN 0.267 nan 8.250 nan 0.000 0.440 646 L N 0.347 121.516 121.223 -0.090 0.000 2.072 646 L HA -0.131 4.210 4.340 0.001 0.000 0.205 646 L C 2.542 179.409 176.870 -0.005 0.000 1.079 646 L CA 1.023 55.843 54.840 -0.033 0.000 0.752 646 L CB -0.449 41.586 42.059 -0.039 0.000 0.906 646 L HN 0.204 nan 8.230 nan 0.000 0.436 647 A N 0.055 122.856 122.820 -0.032 0.000 1.877 647 A HA -0.179 4.142 4.320 0.001 0.000 0.216 647 A C 2.225 179.828 177.584 0.032 0.000 1.186 647 A CA 1.449 53.478 52.037 -0.012 0.000 0.620 647 A CB -0.825 18.140 19.000 -0.059 0.000 0.822 647 A HN 0.338 nan 8.150 nan 0.000 0.443 648 L N -0.127 121.118 121.223 0.037 0.000 2.187 648 L HA -0.170 4.171 4.340 0.001 0.000 0.213 648 L C 1.527 178.441 176.870 0.073 0.000 1.100 648 L CA 1.030 55.912 54.840 0.071 0.000 0.765 648 L CB -0.363 41.751 42.059 0.091 0.000 0.904 648 L HN 0.424 nan 8.230 nan 0.000 0.437 649 N N -0.343 118.394 118.700 0.061 0.000 2.270 649 N HA 0.072 4.813 4.740 0.001 0.000 0.198 649 N C 1.062 176.598 175.510 0.043 0.000 1.117 649 N CA 0.911 53.984 53.050 0.039 0.000 0.845 649 N CB 1.062 39.576 38.487 0.045 0.000 0.980 649 N HN 0.389 nan 8.380 nan 0.000 0.486 650 G N 0.268 109.140 108.800 0.121 0.000 2.134 650 G HA2 -0.192 3.769 3.960 0.001 0.000 0.209 650 G HA3 -0.192 3.769 3.960 0.001 0.000 0.209 650 G C 0.061 175.060 174.900 0.165 0.000 0.993 650 G CA 0.031 45.256 45.100 0.208 0.000 0.669 650 G HN 0.505 nan 8.290 nan 0.000 0.519 651 A N 0.073 122.961 122.820 0.112 0.000 2.310 651 A HA 0.825 5.146 4.320 0.001 0.000 0.299 651 A C 0.470 178.085 177.584 0.051 0.000 1.147 651 A CA -0.374 51.736 52.037 0.120 0.000 0.818 651 A CB 0.650 19.709 19.000 0.097 0.000 1.096 651 A HN 0.774 nan 8.150 nan 0.000 0.495 652 L N 1.383 122.628 121.223 0.036 0.000 2.334 652 L HA 0.402 4.742 4.340 0.001 0.000 0.277 652 L C 0.324 177.266 176.870 0.119 0.000 1.075 652 L CA -0.400 54.441 54.840 0.002 0.000 0.804 652 L CB 1.543 43.520 42.059 -0.138 0.000 1.174 652 L HN 0.652 nan 8.230 nan 0.000 0.438 653 T N 1.959 116.592 114.554 0.133 0.000 2.799 653 T HA 0.394 4.745 4.350 0.001 0.000 0.286 653 T C -0.163 174.702 174.700 0.275 0.000 0.973 653 T CA -0.363 61.824 62.100 0.144 0.000 1.035 653 T CB 1.597 70.507 68.868 0.070 0.000 0.932 653 T HN 0.199 nan 8.240 nan 0.000 0.469 654 V N 3.088 123.146 119.914 0.240 0.000 2.370 654 V HA 0.823 4.943 4.120 0.001 0.000 0.283 654 V C 0.561 176.892 176.094 0.395 0.000 1.023 654 V CA -0.391 62.102 62.300 0.321 0.000 0.857 654 V CB 1.178 33.104 31.823 0.171 0.000 0.985 654 V HN 1.077 nan 8.190 nan 0.000 0.443 655 G N 2.437 111.533 108.800 0.494 0.000 2.755 655 G HA2 0.574 4.535 3.960 0.001 0.000 0.297 655 G HA3 0.574 4.535 3.960 0.001 0.000 0.297 655 G C -0.523 174.266 174.900 -0.184 0.000 1.441 655 G CA -0.178 45.040 45.100 0.196 0.000 0.964 655 G HN 0.733 nan 8.290 nan 0.000 0.540 656 T N -0.655 113.660 114.554 -0.398 0.000 2.788 656 T HA 0.483 4.834 4.350 0.001 0.000 0.287 656 T C 0.664 175.215 174.700 -0.247 0.000 1.007 656 T CA -0.637 61.150 62.100 -0.522 0.000 1.005 656 T CB 1.247 69.854 68.868 -0.434 0.000 1.012 656 T HN 0.381 nan 8.240 nan 0.000 0.530 657 L N 2.036 123.132 121.223 -0.211 0.000 2.399 657 L HA 0.343 4.683 4.340 0.001 0.000 0.257 657 L C -0.252 176.568 176.870 -0.083 0.000 1.236 657 L CA 0.092 54.864 54.840 -0.115 0.000 1.144 657 L CB -0.720 41.285 42.059 -0.092 0.000 1.379 657 L HN 0.767 nan 8.230 nan 0.000 0.414 658 D N 0.446 120.804 120.400 -0.071 0.000 2.661 658 D HA 0.571 5.211 4.640 0.001 0.000 0.228 658 D C 0.509 176.790 176.300 -0.032 0.000 1.210 658 D CA 0.752 54.722 54.000 -0.050 0.000 0.826 658 D CB 2.107 42.873 40.800 -0.056 0.000 1.542 658 D HN 0.373 nan 8.370 nan 0.000 0.447 659 G N 1.424 110.213 108.800 -0.018 0.000 2.652 659 G HA2 -0.239 3.722 3.960 0.001 0.000 0.318 659 G HA3 -0.239 3.722 3.960 0.001 0.000 0.318 659 G C 1.011 175.915 174.900 0.006 0.000 1.295 659 G CA 1.241 46.336 45.100 -0.008 0.000 0.999 659 G HN 1.145 nan 8.290 nan 0.000 0.548 660 A N -0.193 122.623 122.820 -0.008 0.000 2.208 660 A HA 0.182 4.503 4.320 0.001 0.000 0.209 660 A C 2.061 179.616 177.584 -0.049 0.000 1.161 660 A CA 1.611 53.648 52.037 -0.001 0.000 0.782 660 A CB -0.357 18.625 19.000 -0.029 0.000 0.816 660 A HN 0.565 nan 8.150 nan 0.000 0.477 661 N N 0.389 119.056 118.700 -0.055 0.000 2.149 661 N HA -0.161 4.579 4.740 0.001 0.000 0.188 661 N C 1.896 177.393 175.510 -0.021 0.000 1.019 661 N CA 1.616 54.633 53.050 -0.055 0.000 0.857 661 N CB -0.614 37.843 38.487 -0.051 0.000 0.997 661 N HN 0.472 nan 8.380 nan 0.000 0.426 662 V N 0.570 120.481 119.914 -0.005 0.000 2.343 662 V HA -0.186 3.935 4.120 0.001 0.000 0.247 662 V C 1.762 177.885 176.094 0.048 0.000 1.051 662 V CA 1.766 64.072 62.300 0.010 0.000 1.036 662 V CB -0.414 31.410 31.823 0.002 0.000 0.654 662 V HN 0.174 nan 8.190 nan 0.000 0.451 663 E N 0.154 120.412 120.200 0.096 0.000 2.106 663 E HA -0.121 4.230 4.350 0.001 0.000 0.192 663 E C 2.118 178.891 176.600 0.289 0.000 0.984 663 E CA 1.869 58.384 56.400 0.191 0.000 0.806 663 E CB -0.282 29.590 29.700 0.288 0.000 0.750 663 E HN 0.720 nan 8.360 nan 0.000 0.458 664 I N 0.970 121.665 120.570 0.209 0.000 2.142 664 I HA -0.298 3.873 4.170 0.001 0.000 0.240 664 I C 2.512 178.679 176.117 0.084 0.000 1.078 664 I CA 1.044 62.420 61.300 0.127 0.000 1.343 664 I CB -0.336 37.592 38.000 -0.120 0.000 1.046 664 I HN 0.108 nan 8.210 nan 0.000 0.405 665 A N 0.313 123.153 122.820 0.033 0.000 1.865 665 A HA -0.313 4.008 4.320 0.001 0.000 0.217 665 A C 2.339 179.931 177.584 0.013 0.000 1.191 665 A CA 2.215 54.256 52.037 0.007 0.000 0.623 665 A CB -0.835 18.160 19.000 -0.008 0.000 0.826 665 A HN 0.536 nan 8.150 nan 0.000 0.444 666 E N -0.503 119.715 120.200 0.030 0.000 2.085 666 E HA -0.250 4.101 4.350 0.001 0.000 0.194 666 E C 1.843 178.456 176.600 0.022 0.000 0.994 666 E CA 1.406 57.818 56.400 0.021 0.000 0.801 666 E CB -0.066 29.649 29.700 0.025 0.000 0.743 666 E HN 0.388 nan 8.360 nan 0.000 0.453 667 K N 0.280 120.713 120.400 0.055 0.000 2.057 667 K HA -0.100 4.221 4.320 0.001 0.000 0.206 667 K C 2.340 178.954 176.600 0.024 0.000 1.050 667 K CA 1.403 57.716 56.287 0.043 0.000 0.935 667 K CB -0.422 32.129 32.500 0.086 0.000 0.715 667 K HN 0.310 nan 8.250 nan 0.000 0.439 668 V N -2.375 117.555 119.914 0.026 0.000 2.649 668 V HA 0.224 4.345 4.120 0.001 0.000 0.248 668 V C 0.882 176.952 176.094 -0.041 0.000 1.054 668 V CA 0.775 63.070 62.300 -0.008 0.000 1.073 668 V CB -0.859 30.952 31.823 -0.019 0.000 0.699 668 V HN 0.356 nan 8.190 nan 0.000 0.463 669 G N 1.312 110.088 108.800 -0.041 0.000 2.697 669 G HA2 -0.113 3.847 3.960 0.001 0.000 0.686 669 G HA3 -0.113 3.847 3.960 0.001 0.000 0.686 669 G C 0.062 174.915 174.900 -0.079 0.000 1.179 669 G CA 0.066 45.132 45.100 -0.056 0.000 0.765 669 G HN 0.814 nan 8.290 nan 0.000 0.649 670 E N 0.140 120.295 120.200 -0.076 0.000 2.347 670 E HA -0.096 4.254 4.350 0.001 0.000 0.196 670 E C 1.642 178.156 176.600 -0.143 0.000 1.008 670 E CA 1.287 57.630 56.400 -0.095 0.000 0.852 670 E CB -0.015 29.645 29.700 -0.067 0.000 0.783 670 E HN 0.634 nan 8.360 nan 0.000 0.505 671 E N 1.126 121.244 120.200 -0.136 0.000 2.511 671 E HA -0.077 4.274 4.350 0.001 0.000 0.196 671 E C 0.489 176.944 176.600 -0.241 0.000 1.066 671 E CA 0.308 56.608 56.400 -0.167 0.000 0.871 671 E CB -0.178 29.453 29.700 -0.116 0.000 0.863 671 E HN 0.277 nan 8.360 nan 0.000 0.520 672 N N 0.375 118.930 118.700 -0.242 0.000 2.200 672 N HA 0.291 5.032 4.740 0.001 0.000 0.224 672 N C -0.382 174.945 175.510 -0.306 0.000 1.179 672 N CA -0.051 52.841 53.050 -0.264 0.000 0.877 672 N CB 1.586 39.970 38.487 -0.173 0.000 1.072 672 N HN 0.219 nan 8.380 nan 0.000 0.519 673 I N -0.709 119.630 120.570 -0.385 0.000 2.918 673 I HA 0.354 4.525 4.170 0.001 0.000 0.301 673 I C -1.518 174.352 176.117 -0.411 0.000 1.312 673 I CA -0.771 60.364 61.300 -0.276 0.000 1.007 673 I CB 1.699 39.634 38.000 -0.108 0.000 1.281 673 I HN -0.264 nan 8.210 nan 0.000 0.440 674 F N 7.538 127.502 119.950 0.023 0.000 2.344 674 F HA 0.423 4.950 4.527 0.001 0.000 0.344 674 F C 0.017 175.911 175.800 0.157 0.000 1.140 674 F CA -0.572 57.473 58.000 0.075 0.000 1.256 674 F CB 0.238 39.282 39.000 0.073 0.000 1.573 674 F HN 0.055 nan 8.300 nan 0.000 0.547 675 I N 3.466 124.155 120.570 0.198 0.000 2.529 675 I HA 0.212 4.382 4.170 0.001 0.000 0.284 675 I C 0.012 176.272 176.117 0.237 0.000 1.082 675 I CA -0.342 61.048 61.300 0.150 0.000 1.406 675 I CB 0.068 38.085 38.000 0.029 0.000 1.405 675 I HN 0.369 nan 8.210 nan 0.000 0.548 676 F N 2.618 122.595 119.950 0.045 0.000 2.711 676 F HA 0.853 5.381 4.527 0.001 0.000 0.313 676 F C -0.006 175.785 175.800 -0.016 0.000 1.141 676 F CA -0.438 57.577 58.000 0.025 0.000 0.941 676 F CB 1.166 40.204 39.000 0.062 0.000 1.349 676 F HN 0.818 nan 8.300 nan 0.000 0.464 677 G N 0.479 109.239 108.800 -0.067 0.000 2.728 677 G HA2 -0.012 3.949 3.960 0.001 0.000 0.294 677 G HA3 -0.012 3.949 3.960 0.001 0.000 0.294 677 G C -1.375 173.365 174.900 -0.266 0.000 1.342 677 G CA -0.643 44.341 45.100 -0.193 0.000 0.866 677 G HN 1.191 nan 8.290 nan 0.000 0.534 678 H N 0.773 119.790 119.070 -0.089 0.000 2.815 678 H HA 0.388 4.945 4.556 0.001 0.000 0.350 678 H C 1.493 176.756 175.328 -0.108 0.000 1.080 678 H CA 0.871 56.872 56.048 -0.079 0.000 1.433 678 H CB 0.655 30.361 29.762 -0.093 0.000 1.432 678 H HN 0.924 nan 8.280 nan 0.000 0.592 679 T N -1.449 113.124 114.554 0.032 0.000 2.726 679 T HA 0.068 4.419 4.350 0.001 0.000 0.294 679 T C 1.800 176.492 174.700 -0.013 0.000 1.013 679 T CA -0.695 61.397 62.100 -0.013 0.000 0.996 679 T CB 0.432 69.295 68.868 -0.008 0.000 1.016 679 T HN 0.271 nan 8.240 nan 0.000 0.529 680 V N 1.418 121.314 119.914 -0.031 0.000 2.287 680 V HA -0.146 3.975 4.120 0.001 0.000 0.248 680 V C 2.817 178.886 176.094 -0.041 0.000 1.053 680 V CA 2.277 64.552 62.300 -0.040 0.000 1.027 680 V CB -1.188 30.611 31.823 -0.040 0.000 0.646 680 V HN 0.875 nan 8.190 nan 0.000 0.447 681 E N -0.003 120.180 120.200 -0.028 0.000 2.077 681 E HA -0.217 4.134 4.350 0.001 0.000 0.193 681 E C 2.302 178.889 176.600 -0.022 0.000 0.989 681 E CA 1.212 57.597 56.400 -0.024 0.000 0.800 681 E CB -0.302 29.391 29.700 -0.013 0.000 0.746 681 E HN 0.673 nan 8.360 nan 0.000 0.452 682 Q N -0.061 119.738 119.800 -0.001 0.000 2.167 682 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 682 Q C 2.208 178.152 176.000 -0.092 0.000 0.970 682 Q CA 1.177 56.984 55.803 0.006 0.000 0.855 682 Q CB 0.020 28.834 28.738 0.127 0.000 0.911 682 Q HN 0.162 nan 8.270 nan 0.000 0.438 683 V N 1.319 121.170 119.914 -0.104 0.000 2.307 683 V HA -0.251 3.870 4.120 0.001 0.000 0.245 683 V C 2.019 178.010 176.094 -0.171 0.000 1.045 683 V CA 1.756 63.940 62.300 -0.193 0.000 1.024 683 V CB -0.398 31.336 31.823 -0.148 0.000 0.651 683 V HN 0.283 nan 8.190 nan 0.000 0.449 684 K N 0.255 120.588 120.400 -0.110 0.000 2.103 684 K HA -0.162 4.159 4.320 0.001 0.000 0.207 684 K C 2.283 178.838 176.600 -0.075 0.000 1.048 684 K CA 1.496 57.730 56.287 -0.089 0.000 0.930 684 K CB -0.410 32.050 32.500 -0.066 0.000 0.716 684 K HN 0.489 nan 8.250 nan 0.000 0.444 685 A N 1.468 124.249 122.820 -0.065 0.000 1.858 685 A HA -0.155 4.166 4.320 0.001 0.000 0.216 685 A C 2.145 179.705 177.584 -0.040 0.000 1.190 685 A CA 1.328 53.342 52.037 -0.038 0.000 0.617 685 A CB -0.605 18.384 19.000 -0.017 0.000 0.827 685 A HN 0.167 nan 8.150 nan 0.000 0.443 686 I N -0.323 120.194 120.570 -0.089 0.000 2.264 686 I HA -0.277 3.894 4.170 0.001 0.000 0.248 686 I C 2.398 178.491 176.117 -0.041 0.000 1.111 686 I CA 1.137 62.391 61.300 -0.078 0.000 1.382 686 I CB -0.194 37.643 38.000 -0.271 0.000 1.060 686 I HN 0.310 nan 8.210 nan 0.000 0.418 687 L N -0.137 121.027 121.223 -0.099 0.000 2.072 687 L HA -0.144 4.196 4.340 0.001 0.000 0.205 687 L C 2.785 179.651 176.870 -0.006 0.000 1.079 687 L CA 1.183 55.992 54.840 -0.052 0.000 0.752 687 L CB -0.644 41.355 42.059 -0.100 0.000 0.906 687 L HN 0.220 nan 8.230 nan 0.000 0.436 688 A N 0.104 122.913 122.820 -0.019 0.000 1.902 688 A HA -0.251 4.069 4.320 0.001 0.000 0.217 688 A C 2.359 179.951 177.584 0.014 0.000 1.181 688 A CA 1.853 53.886 52.037 -0.007 0.000 0.623 688 A CB -0.463 18.528 19.000 -0.015 0.000 0.818 688 A HN 0.328 nan 8.150 nan 0.000 0.443 689 K N -0.373 120.043 120.400 0.026 0.000 2.362 689 K HA 0.096 4.417 4.320 0.001 0.000 0.200 689 K C 0.444 177.081 176.600 0.063 0.000 1.046 689 K CA 0.883 57.196 56.287 0.044 0.000 0.952 689 K CB -0.498 32.034 32.500 0.054 0.000 0.753 689 K HN 0.990 nan 8.250 nan 0.000 0.466 690 G N 1.287 110.134 108.800 0.079 0.000 3.251 690 G HA2 -0.251 3.710 3.960 0.001 0.000 0.680 690 G HA3 -0.251 3.710 3.960 0.001 0.000 0.680 690 G C -1.358 173.644 174.900 0.170 0.000 1.129 690 G CA -0.260 44.898 45.100 0.097 0.000 0.994 690 G HN 0.319 nan 8.290 nan 0.000 0.450 691 Y N 2.839 123.158 120.300 0.033 0.000 2.328 691 Y HA 0.637 5.188 4.550 0.001 0.000 0.337 691 Y C -0.345 175.603 175.900 0.079 0.000 1.008 691 Y CA -1.691 56.446 58.100 0.061 0.000 1.129 691 Y CB 2.061 40.513 38.460 -0.013 0.000 1.185 691 Y HN 0.446 nan 8.280 nan 0.000 0.476 692 D N 9.249 129.553 120.400 -0.160 0.000 2.477 692 D HA 0.317 4.958 4.640 0.001 0.000 0.239 692 D C -1.948 174.151 176.300 -0.336 0.000 1.102 692 D CA -2.607 51.259 54.000 -0.223 0.000 0.901 692 D CB 1.550 42.328 40.800 -0.035 0.000 1.026 692 D HN 0.355 nan 8.370 nan 0.000 0.515 693 P HA -0.167 nan 4.420 nan 0.000 0.218 693 P C 1.480 178.747 177.300 -0.054 0.000 1.148 693 P CA 0.579 63.398 63.100 -0.469 0.000 0.822 693 P CB 0.483 31.957 31.700 -0.377 0.000 0.784 694 V N 0.475 120.361 119.914 -0.046 0.000 2.515 694 V HA -0.177 3.944 4.120 0.001 0.000 0.250 694 V C 2.711 178.835 176.094 0.049 0.000 1.058 694 V CA 1.594 63.901 62.300 0.011 0.000 1.064 694 V CB -1.136 30.683 31.823 -0.007 0.000 0.675 694 V HN 0.122 nan 8.190 nan 0.000 0.461 695 K N -1.004 119.429 120.400 0.055 0.000 2.026 695 K HA -0.218 4.102 4.320 0.001 0.000 0.208 695 K C 2.004 178.637 176.600 0.056 0.000 1.048 695 K CA 2.087 58.393 56.287 0.032 0.000 0.929 695 K CB -0.239 32.257 32.500 -0.007 0.000 0.713 695 K HN 0.526 nan 8.250 nan 0.000 0.439 696 W N 1.085 122.385 121.300 0.001 0.000 2.355 696 W HA -0.102 4.558 4.660 0.001 0.000 0.309 696 W C 2.376 178.922 176.519 0.045 0.000 1.206 696 W CA 1.221 58.604 57.345 0.062 0.000 1.284 696 W CB -0.442 29.094 29.460 0.126 0.000 1.145 696 W HN 0.131 nan 8.180 nan 0.000 0.502 697 R N 0.884 121.534 120.500 0.251 0.000 2.094 697 R HA -0.211 4.130 4.340 0.001 0.000 0.239 697 R C 1.995 178.342 176.300 0.078 0.000 1.137 697 R CA 1.764 57.933 56.100 0.115 0.000 0.943 697 R CB -0.359 29.972 30.300 0.051 0.000 0.850 697 R HN -0.086 nan 8.270 nan 0.000 0.433 698 K N 0.332 120.769 120.400 0.061 0.000 2.288 698 K HA -0.042 4.279 4.320 0.001 0.000 0.201 698 K C 1.843 178.458 176.600 0.025 0.000 1.048 698 K CA 0.841 57.147 56.287 0.030 0.000 0.956 698 K CB 0.105 32.614 32.500 0.015 0.000 0.746 698 K HN 0.169 nan 8.250 nan 0.000 0.461 699 K N 0.735 121.152 120.400 0.028 0.000 2.243 699 K HA -0.015 4.305 4.320 0.001 0.000 0.201 699 K C 0.426 177.059 176.600 0.054 0.000 1.051 699 K CA 0.314 56.609 56.287 0.015 0.000 0.970 699 K CB -0.001 32.475 32.500 -0.041 0.000 0.755 699 K HN 0.088 nan 8.250 nan 0.000 0.465 700 D N 1.371 121.833 120.400 0.103 0.000 2.347 700 D HA 0.040 4.680 4.640 0.001 0.000 0.235 700 D C 0.618 176.976 176.300 0.098 0.000 1.149 700 D CA -0.053 54.031 54.000 0.139 0.000 0.850 700 D CB 1.093 42.040 40.800 0.245 0.000 1.061 700 D HN -0.292 nan 8.370 nan 0.000 0.487 701 K N 2.573 123.023 120.400 0.083 0.000 2.057 701 K HA -0.066 4.254 4.320 0.001 0.000 0.207 701 K C 1.820 178.456 176.600 0.060 0.000 1.049 701 K CA 0.669 56.990 56.287 0.056 0.000 0.931 701 K CB -0.468 32.059 32.500 0.044 0.000 0.714 701 K HN 0.304 nan 8.250 nan 0.000 0.440 702 V N 1.159 121.137 119.914 0.108 0.000 2.323 702 V HA -0.184 3.937 4.120 0.001 0.000 0.244 702 V C 2.281 178.411 176.094 0.060 0.000 1.041 702 V CA 1.214 63.590 62.300 0.126 0.000 1.025 702 V CB -0.464 31.489 31.823 0.216 0.000 0.656 702 V HN 0.145 nan 8.190 nan 0.000 0.451 703 L N 0.923 122.152 121.223 0.010 0.000 2.042 703 L HA -0.218 4.122 4.340 0.001 0.000 0.210 703 L C 2.053 178.809 176.870 -0.190 0.000 1.076 703 L CA 2.601 57.210 54.840 -0.385 0.000 0.749 703 L CB -0.908 40.891 42.059 -0.434 0.000 0.893 703 L HN 0.473 nan 8.230 nan 0.000 0.432 704 D N -0.836 119.526 120.400 -0.063 0.000 2.097 704 D HA -0.140 4.501 4.640 0.001 0.000 0.197 704 D C 2.119 178.402 176.300 -0.028 0.000 0.984 704 D CA 1.402 55.381 54.000 -0.034 0.000 0.826 704 D CB -0.046 40.753 40.800 -0.002 0.000 0.973 704 D HN 0.418 nan 8.370 nan 0.000 0.460 705 A N -0.150 122.660 122.820 -0.016 0.000 1.933 705 A HA -0.097 4.224 4.320 0.001 0.000 0.218 705 A C 2.485 180.063 177.584 -0.010 0.000 1.175 705 A CA 1.424 53.455 52.037 -0.010 0.000 0.628 705 A CB -0.805 18.194 19.000 -0.003 0.000 0.814 705 A HN 0.247 nan 8.150 nan 0.000 0.444 706 V N -0.199 119.702 119.914 -0.021 0.000 2.591 706 V HA -0.140 3.981 4.120 0.001 0.000 0.249 706 V C 2.441 178.526 176.094 -0.015 0.000 1.053 706 V CA 1.597 63.891 62.300 -0.010 0.000 1.068 706 V CB -0.389 31.421 31.823 -0.022 0.000 0.689 706 V HN 0.582 nan 8.190 nan 0.000 0.462 707 L N -0.716 120.478 121.223 -0.048 0.000 2.156 707 L HA -0.136 4.205 4.340 0.001 0.000 0.208 707 L C 2.490 179.366 176.870 0.010 0.000 1.095 707 L CA 1.426 56.252 54.840 -0.025 0.000 0.770 707 L CB -0.553 41.482 42.059 -0.040 0.000 0.914 707 L HN 0.241 nan 8.230 nan 0.000 0.439 708 K N 0.088 120.490 120.400 0.004 0.000 2.147 708 K HA -0.178 4.142 4.320 0.001 0.000 0.205 708 K C 1.941 178.550 176.600 0.016 0.000 1.049 708 K CA 1.176 57.467 56.287 0.006 0.000 0.936 708 K CB -0.065 32.432 32.500 -0.005 0.000 0.722 708 K HN 0.365 nan 8.250 nan 0.000 0.446 709 E N 0.881 121.100 120.200 0.032 0.000 2.058 709 E HA -0.194 4.157 4.350 0.001 0.000 0.194 709 E C 1.995 178.678 176.600 0.139 0.000 0.997 709 E CA 1.142 57.581 56.400 0.065 0.000 0.801 709 E CB -0.102 29.686 29.700 0.146 0.000 0.746 709 E HN 0.225 nan 8.360 nan 0.000 0.450 710 L N 0.611 121.930 121.223 0.160 0.000 2.141 710 L HA -0.150 4.190 4.340 0.001 0.000 0.209 710 L C 2.099 179.100 176.870 0.218 0.000 1.094 710 L CA 0.985 55.957 54.840 0.220 0.000 0.763 710 L CB -0.172 41.936 42.059 0.081 0.000 0.908 710 L HN 0.080 nan 8.230 nan 0.000 0.437 711 E N -0.494 119.764 120.200 0.096 0.000 2.358 711 E HA -0.130 4.221 4.350 0.001 0.000 0.195 711 E C 2.185 178.770 176.600 -0.024 0.000 1.010 711 E CA 1.097 57.511 56.400 0.025 0.000 0.856 711 E CB 0.106 29.811 29.700 0.009 0.000 0.795 711 E HN 0.496 nan 8.360 nan 0.000 0.504 712 S N -1.185 114.511 115.700 -0.007 0.000 2.478 712 S HA 0.135 4.605 4.470 0.001 0.000 0.222 712 S C 1.725 176.288 174.600 -0.061 0.000 1.008 712 S CA 0.467 58.640 58.200 -0.045 0.000 0.928 712 S CB 0.563 63.732 63.200 -0.051 0.000 0.781 712 S HN 0.317 nan 8.310 nan 0.000 0.518 713 G N 1.884 110.660 108.800 -0.040 0.000 2.175 713 G HA2 -0.329 3.632 3.960 0.001 0.000 0.244 713 G HA3 -0.329 3.632 3.960 0.001 0.000 0.244 713 G C 0.727 175.582 174.900 -0.075 0.000 0.982 713 G CA 0.531 45.598 45.100 -0.056 0.000 0.641 713 G HN 0.584 nan 8.290 nan 0.000 0.527 714 K N -0.505 119.806 120.400 -0.148 0.000 2.127 714 K HA -0.122 4.198 4.320 0.001 0.000 0.208 714 K C 1.677 178.035 176.600 -0.403 0.000 1.047 714 K CA 1.976 58.068 56.287 -0.325 0.000 0.927 714 K CB -0.214 31.969 32.500 -0.528 0.000 0.716 714 K HN 0.525 nan 8.250 nan 0.000 0.450 715 Y N -0.270 120.073 120.300 0.071 0.000 2.457 715 Y HA 0.120 4.671 4.550 0.001 0.000 0.263 715 Y C 0.830 176.768 175.900 0.063 0.000 1.164 715 Y CA 0.125 58.269 58.100 0.073 0.000 1.274 715 Y CB 0.811 39.310 38.460 0.065 0.000 1.097 715 Y HN 0.094 nan 8.280 nan 0.000 0.523 716 S N -1.502 114.257 115.700 0.098 0.000 2.794 716 S HA 0.201 4.672 4.470 0.001 0.000 0.244 716 S C -0.325 174.263 174.600 -0.021 0.000 1.045 716 S CA -0.418 57.774 58.200 -0.012 0.000 1.114 716 S CB -0.249 62.814 63.200 -0.228 0.000 1.085 716 S HN 0.243 nan 8.310 nan 0.000 0.488 717 D N 1.278 121.674 120.400 -0.007 0.000 2.686 717 D HA -0.153 4.487 4.640 0.001 0.000 0.235 717 D C 1.275 177.562 176.300 -0.022 0.000 1.160 717 D CA 1.931 55.924 54.000 -0.010 0.000 0.645 717 D CB -1.496 39.308 40.800 0.007 0.000 1.039 717 D HN 1.370 nan 8.370 nan 0.000 0.423 718 G N 0.355 109.132 108.800 -0.038 0.000 2.225 718 G HA2 -0.340 3.621 3.960 0.001 0.000 0.254 718 G HA3 -0.340 3.621 3.960 0.001 0.000 0.254 718 G C 0.078 174.951 174.900 -0.046 0.000 0.988 718 G CA 0.339 45.415 45.100 -0.040 0.000 0.625 718 G HN 0.712 nan 8.290 nan 0.000 0.527 719 D N 1.010 121.377 120.400 -0.055 0.000 2.359 719 D HA 0.339 4.980 4.640 0.001 0.000 0.250 719 D C 1.550 177.774 176.300 -0.126 0.000 1.264 719 D CA -0.115 53.849 54.000 -0.060 0.000 0.911 719 D CB 0.291 41.059 40.800 -0.053 0.000 1.056 719 D HN 0.375 nan 8.370 nan 0.000 0.499 720 K N 2.003 122.320 120.400 -0.139 0.000 2.283 720 K HA -0.102 4.218 4.320 0.001 0.000 0.202 720 K C 0.804 177.127 176.600 -0.461 0.000 1.048 720 K CA 0.741 56.854 56.287 -0.289 0.000 0.948 720 K CB 0.178 32.465 32.500 -0.354 0.000 0.742 720 K HN 0.594 nan 8.250 nan 0.000 0.458 721 H N -0.993 118.018 119.070 -0.099 0.000 2.549 721 H HA 0.218 4.775 4.556 0.001 0.000 0.279 721 H C 1.688 176.913 175.328 -0.172 0.000 1.018 721 H CA 0.336 56.317 56.048 -0.111 0.000 1.175 721 H CB 0.483 30.199 29.762 -0.077 0.000 1.485 721 H HN 0.156 nan 8.280 nan 0.000 0.543 722 A N 1.205 123.878 122.820 -0.245 0.000 1.903 722 A HA -0.204 4.117 4.320 0.001 0.000 0.219 722 A C 1.090 178.429 177.584 -0.408 0.000 1.191 722 A CA 1.498 53.278 52.037 -0.428 0.000 0.638 722 A CB -0.756 17.663 19.000 -0.969 0.000 0.823 722 A HN 0.201 nan 8.150 nan 0.000 0.451 723 F N -0.072 119.903 119.950 0.042 0.000 2.730 723 F HA 0.232 4.759 4.527 0.001 0.000 0.295 723 F C 1.094 176.878 175.800 -0.027 0.000 1.143 723 F CA -0.978 57.031 58.000 0.015 0.000 1.367 723 F CB -0.291 38.686 39.000 -0.039 0.000 0.970 723 F HN 0.081 nan 8.300 nan 0.000 0.514 724 D N 0.750 121.159 120.400 0.013 0.000 2.116 724 D HA -0.202 4.439 4.640 0.001 0.000 0.193 724 D C 2.003 178.176 176.300 -0.211 0.000 0.998 724 D CA 1.626 55.511 54.000 -0.191 0.000 0.836 724 D CB 0.009 40.685 40.800 -0.206 0.000 0.951 724 D HN 0.393 nan 8.370 nan 0.000 0.449 725 Q N -0.444 119.343 119.800 -0.023 0.000 2.084 725 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 725 Q C 2.242 178.311 176.000 0.116 0.000 0.978 725 Q CA 0.947 56.790 55.803 0.067 0.000 0.844 725 Q CB -0.111 28.691 28.738 0.106 0.000 0.898 725 Q HN 0.336 nan 8.270 nan 0.000 0.426 726 M N 0.171 119.841 119.600 0.116 0.000 2.099 726 M HA -0.172 4.308 4.480 0.001 0.000 0.262 726 M C 1.487 177.883 176.300 0.160 0.000 1.067 726 M CA 1.222 56.596 55.300 0.123 0.000 1.124 726 M CB 0.108 32.766 32.600 0.097 0.000 1.353 726 M HN 0.202 nan 8.290 nan 0.000 0.410 727 L N -0.033 121.270 121.223 0.135 0.000 2.083 727 L HA -0.208 4.133 4.340 0.001 0.000 0.209 727 L C 2.487 179.496 176.870 0.232 0.000 1.083 727 L CA 1.839 56.767 54.840 0.147 0.000 0.752 727 L CB -1.929 40.198 42.059 0.113 0.000 0.899 727 L HN 0.367 nan 8.230 nan 0.000 0.433 728 H N -0.965 118.171 119.070 0.110 0.000 2.389 728 H HA -0.044 4.513 4.556 0.001 0.000 0.299 728 H C 2.461 177.850 175.328 0.103 0.000 1.081 728 H CA 1.253 57.358 56.048 0.095 0.000 1.345 728 H CB -0.316 29.502 29.762 0.094 0.000 1.393 728 H HN 0.408 nan 8.280 nan 0.000 0.520 729 S N 0.578 116.432 115.700 0.258 0.000 2.423 729 S HA -0.084 4.386 4.470 0.001 0.000 0.231 729 S C 1.850 176.577 174.600 0.211 0.000 1.014 729 S CA 1.216 59.552 58.200 0.227 0.000 0.965 729 S CB -0.522 62.825 63.200 0.245 0.000 0.785 729 S HN 0.593 nan 8.310 nan 0.000 0.495 730 I N -1.876 118.811 120.570 0.194 0.000 4.018 730 I HA 0.528 4.699 4.170 0.001 0.000 0.337 730 I C 0.907 177.075 176.117 0.086 0.000 1.327 730 I CA -0.348 61.040 61.300 0.148 0.000 1.100 730 I CB -0.219 37.858 38.000 0.128 0.000 1.025 730 I HN 0.284 nan 8.210 nan 0.000 0.396 731 G N 1.427 110.281 108.800 0.089 0.000 3.039 731 G HA2 0.207 4.167 3.960 0.001 0.000 0.159 731 G HA3 0.207 4.167 3.960 0.001 0.000 0.159 731 G C 0.396 175.302 174.900 0.010 0.000 1.284 731 G CA -0.172 44.956 45.100 0.046 0.000 0.996 731 G HN 0.001 nan 8.290 nan 0.000 0.592 732 K N -0.444 119.950 120.400 -0.010 0.000 2.057 732 K HA -0.051 4.269 4.320 0.001 0.000 0.206 732 K C 2.606 179.181 176.600 -0.042 0.000 1.050 732 K CA 1.759 58.025 56.287 -0.035 0.000 0.935 732 K CB -0.298 32.179 32.500 -0.039 0.000 0.715 732 K HN 0.367 nan 8.250 nan 0.000 0.439 733 Q N -1.045 118.714 119.800 -0.069 0.000 2.046 733 Q HA 0.042 4.382 4.340 0.001 0.000 0.200 733 Q C 2.151 178.147 176.000 -0.007 0.000 0.975 733 Q CA 1.873 57.625 55.803 -0.084 0.000 0.836 733 Q CB -0.712 27.890 28.738 -0.226 0.000 0.896 733 Q HN 0.443 nan 8.270 nan 0.000 0.428 734 G N -1.347 107.478 108.800 0.042 0.000 2.662 734 G HA2 0.270 4.230 3.960 0.001 0.000 0.212 734 G HA3 0.270 4.230 3.960 0.001 0.000 0.212 734 G C 0.948 175.887 174.900 0.065 0.000 1.141 734 G CA 0.254 45.401 45.100 0.078 0.000 0.797 734 G HN 0.573 nan 8.290 nan 0.000 0.531 735 G N 0.420 109.245 108.800 0.042 0.000 2.153 735 G HA2 -0.285 3.676 3.960 0.001 0.000 0.252 735 G HA3 -0.285 3.676 3.960 0.001 0.000 0.252 735 G C 0.324 175.277 174.900 0.088 0.000 0.994 735 G CA 0.973 46.090 45.100 0.029 0.000 0.698 735 G HN 1.052 nan 8.290 nan 0.000 0.521 736 D N -0.991 119.482 120.400 0.122 0.000 2.735 736 D HA -0.155 4.486 4.640 0.001 0.000 0.235 736 D C 0.021 176.438 176.300 0.196 0.000 1.175 736 D CA 1.155 55.273 54.000 0.198 0.000 0.683 736 D CB -0.277 40.652 40.800 0.216 0.000 1.008 736 D HN 0.412 nan 8.370 nan 0.000 0.416 737 P HA -0.167 nan 4.420 nan 0.000 0.223 737 P C 0.833 177.933 177.300 -0.333 0.000 1.144 737 P CA 1.170 64.168 63.100 -0.170 0.000 0.783 737 P CB -0.132 31.366 31.700 -0.338 0.000 0.771 738 Y N -0.750 119.605 120.300 0.091 0.000 2.555 738 Y HA 0.304 4.855 4.550 0.001 0.000 0.259 738 Y C 1.285 177.172 175.900 -0.021 0.000 1.179 738 Y CA -0.498 57.637 58.100 0.058 0.000 1.230 738 Y CB -0.213 38.342 38.460 0.158 0.000 1.146 738 Y HN -0.293 nan 8.280 nan 0.000 0.526 739 L N -0.587 120.656 121.223 0.033 0.000 3.597 739 L HA -0.324 4.017 4.340 0.001 0.000 0.440 739 L C 0.941 177.797 176.870 -0.023 0.000 1.277 739 L CA -0.196 54.575 54.840 -0.114 0.000 0.852 739 L CB -2.259 39.576 42.059 -0.373 0.000 1.708 739 L HN 0.135 nan 8.230 nan 0.000 0.885 740 V N -0.561 119.368 119.914 0.025 0.000 2.287 740 V HA -0.319 3.802 4.120 0.001 0.000 0.248 740 V C 2.464 178.594 176.094 0.060 0.000 1.053 740 V CA 2.504 64.792 62.300 -0.020 0.000 1.027 740 V CB -0.264 31.462 31.823 -0.161 0.000 0.646 740 V HN 0.538 nan 8.190 nan 0.000 0.447 741 M N -0.038 119.601 119.600 0.065 0.000 2.159 741 M HA -0.082 4.399 4.480 0.001 0.000 0.263 741 M C 2.338 178.657 176.300 0.031 0.000 1.063 741 M CA 2.171 57.526 55.300 0.091 0.000 1.110 741 M CB -1.442 31.211 32.600 0.089 0.000 1.374 741 M HN 0.415 nan 8.290 nan 0.000 0.411 742 A N -0.495 122.154 122.820 -0.285 0.000 2.066 742 A HA -0.104 4.216 4.320 0.001 0.000 0.218 742 A C 1.618 179.146 177.584 -0.093 0.000 1.157 742 A CA 1.371 52.937 52.037 -0.786 0.000 0.670 742 A CB -0.339 17.988 19.000 -1.121 0.000 0.804 742 A HN 0.374 nan 8.150 nan 0.000 0.453 743 D N -2.193 118.256 120.400 0.083 0.000 2.398 743 D HA 0.118 4.759 4.640 0.001 0.000 0.210 743 D C 1.142 177.608 176.300 0.278 0.000 1.094 743 D CA -0.153 53.972 54.000 0.209 0.000 0.839 743 D CB -0.071 40.850 40.800 0.201 0.000 0.963 743 D HN 0.365 nan 8.370 nan 0.000 0.506 744 F N 2.462 122.501 119.950 0.149 0.000 2.069 744 F HA -0.237 4.291 4.527 0.001 0.000 0.298 744 F C 2.127 178.033 175.800 0.178 0.000 1.113 744 F CA 1.963 60.065 58.000 0.170 0.000 1.214 744 F CB -0.206 38.885 39.000 0.152 0.000 0.978 744 F HN -0.031 nan 8.300 nan 0.000 0.474 745 A N 0.153 123.058 122.820 0.142 0.000 1.930 745 A HA 0.024 4.345 4.320 0.001 0.000 0.217 745 A C 2.357 179.914 177.584 -0.045 0.000 1.175 745 A CA 1.593 53.634 52.037 0.007 0.000 0.627 745 A CB -1.530 17.601 19.000 0.217 0.000 0.815 745 A HN 0.534 nan 8.150 nan 0.000 0.443 746 A N -1.628 121.232 122.820 0.067 0.000 1.969 746 A HA -0.048 4.272 4.320 0.001 0.000 0.218 746 A C 2.113 179.677 177.584 -0.034 0.000 1.169 746 A CA 1.587 53.682 52.037 0.097 0.000 0.635 746 A CB -0.673 18.456 19.000 0.216 0.000 0.810 746 A HN 0.655 nan 8.150 nan 0.000 0.445 747 Y N 0.796 120.857 120.300 -0.397 0.000 2.163 747 Y HA -0.130 4.421 4.550 0.001 0.000 0.288 747 Y C 2.380 177.836 175.900 -0.741 0.000 1.136 747 Y CA 1.486 59.007 58.100 -0.965 0.000 1.147 747 Y CB -0.633 37.347 38.460 -0.800 0.000 0.987 747 Y HN 0.060 nan 8.280 nan 0.000 0.509 748 V N 0.690 120.213 119.914 -0.651 0.000 2.324 748 V HA -0.293 3.827 4.120 0.001 0.000 0.250 748 V C 2.381 178.255 176.094 -0.367 0.000 1.060 748 V CA 2.275 64.224 62.300 -0.585 0.000 1.042 748 V CB -0.773 30.755 31.823 -0.492 0.000 0.650 748 V HN 0.329 nan 8.190 nan 0.000 0.450 749 E N 0.964 121.013 120.200 -0.251 0.000 2.028 749 E HA -0.156 4.195 4.350 0.001 0.000 0.191 749 E C 2.172 178.696 176.600 -0.127 0.000 0.988 749 E CA 1.797 58.121 56.400 -0.126 0.000 0.799 749 E CB -0.652 29.021 29.700 -0.045 0.000 0.755 749 E HN 0.467 nan 8.360 nan 0.000 0.447 750 A N 0.748 123.472 122.820 -0.160 0.000 1.908 750 A HA -0.224 4.096 4.320 0.001 0.000 0.218 750 A C 2.162 179.598 177.584 -0.247 0.000 1.181 750 A CA 1.746 53.734 52.037 -0.082 0.000 0.627 750 A CB -0.637 18.336 19.000 -0.044 0.000 0.818 750 A HN 0.282 nan 8.150 nan 0.000 0.445 751 Q N -0.177 119.342 119.800 -0.469 0.000 2.135 751 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 751 Q C 1.962 177.806 176.000 -0.260 0.000 0.981 751 Q CA 1.683 57.191 55.803 -0.490 0.000 0.856 751 Q CB -0.302 27.960 28.738 -0.793 0.000 0.902 751 Q HN 0.726 nan 8.270 nan 0.000 0.425 752 K N 0.504 120.802 120.400 -0.169 0.000 2.097 752 K HA -0.143 4.178 4.320 0.001 0.000 0.205 752 K C 2.112 178.696 176.600 -0.027 0.000 1.050 752 K CA 1.017 57.261 56.287 -0.072 0.000 0.938 752 K CB 0.032 32.506 32.500 -0.044 0.000 0.718 752 K HN 0.249 nan 8.250 nan 0.000 0.442 753 Q N 0.154 119.957 119.800 0.005 0.000 2.291 753 Q HA -0.104 4.236 4.340 0.001 0.000 0.205 753 Q C 1.952 178.053 176.000 0.168 0.000 0.970 753 Q CA 0.799 56.694 55.803 0.152 0.000 0.876 753 Q CB 0.114 29.036 28.738 0.307 0.000 0.935 753 Q HN 0.090 nan 8.270 nan 0.000 0.455 754 V N 1.238 121.040 119.914 -0.187 0.000 2.358 754 V HA -0.263 3.858 4.120 0.001 0.000 0.246 754 V C 1.232 177.353 176.094 0.046 0.000 1.047 754 V CA 2.087 64.212 62.300 -0.291 0.000 1.035 754 V CB -0.461 31.044 31.823 -0.531 0.000 0.658 754 V HN 0.341 nan 8.190 nan 0.000 0.452 755 D N 0.031 120.419 120.400 -0.020 0.000 2.133 755 D HA -0.172 4.468 4.640 0.001 0.000 0.195 755 D C 2.076 178.434 176.300 0.097 0.000 0.997 755 D CA 1.478 55.484 54.000 0.010 0.000 0.840 755 D CB -0.422 40.370 40.800 -0.012 0.000 0.947 755 D HN 0.298 nan 8.370 nan 0.000 0.452 756 V N 0.368 120.356 119.914 0.124 0.000 2.270 756 V HA -0.184 3.936 4.120 0.001 0.000 0.245 756 V C 2.315 178.532 176.094 0.204 0.000 1.043 756 V CA 1.102 63.486 62.300 0.139 0.000 1.014 756 V CB -0.468 31.433 31.823 0.131 0.000 0.645 756 V HN 0.161 nan 8.190 nan 0.000 0.447 757 L N -0.854 120.570 121.223 0.335 0.000 2.083 757 L HA -0.195 4.146 4.340 0.001 0.000 0.209 757 L C 2.260 179.410 176.870 0.467 0.000 1.083 757 L CA 2.004 57.111 54.840 0.444 0.000 0.752 757 L CB -0.758 41.692 42.059 0.651 0.000 0.899 757 L HN 0.450 nan 8.230 nan 0.000 0.433 758 Y N -0.143 120.277 120.300 0.199 0.000 2.293 758 Y HA -0.171 4.380 4.550 0.001 0.000 0.291 758 Y C 2.590 178.389 175.900 -0.169 0.000 1.137 758 Y CA 1.363 59.299 58.100 -0.274 0.000 1.202 758 Y CB -0.022 38.035 38.460 -0.671 0.000 0.990 758 Y HN 0.112 nan 8.280 nan 0.000 0.537 759 R N -0.278 120.249 120.500 0.045 0.000 2.120 759 R HA -0.136 4.204 4.340 0.001 0.000 0.234 759 R C 0.231 176.513 176.300 -0.030 0.000 1.123 759 R CA 1.261 57.360 56.100 -0.001 0.000 0.975 759 R CB -0.357 29.966 30.300 0.038 0.000 0.866 759 R HN 0.191 nan 8.270 nan 0.000 0.446 760 D N 0.700 121.113 120.400 0.020 0.000 2.468 760 D HA 0.003 4.644 4.640 0.001 0.000 0.218 760 D C 0.698 177.015 176.300 0.027 0.000 1.155 760 D CA 0.004 54.020 54.000 0.027 0.000 0.924 760 D CB 0.927 41.766 40.800 0.064 0.000 1.029 760 D HN -0.103 nan 8.370 nan 0.000 0.515 761 Q N 2.099 121.870 119.800 -0.048 0.000 2.230 761 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 761 Q C 1.422 177.444 176.000 0.037 0.000 0.963 761 Q CA 0.690 56.451 55.803 -0.071 0.000 0.866 761 Q CB 0.158 28.799 28.738 -0.161 0.000 0.931 761 Q HN 0.719 nan 8.270 nan 0.000 0.452 762 E N -0.094 120.126 120.200 0.034 0.000 2.072 762 E HA -0.148 4.203 4.350 0.001 0.000 0.191 762 E C 1.689 178.327 176.600 0.065 0.000 0.985 762 E CA 1.027 57.453 56.400 0.044 0.000 0.801 762 E CB 0.119 29.835 29.700 0.027 0.000 0.750 762 E HN 0.268 nan 8.360 nan 0.000 0.452 763 A N 1.606 124.475 122.820 0.082 0.000 1.897 763 A HA -0.147 4.174 4.320 0.001 0.000 0.215 763 A C 2.008 179.655 177.584 0.105 0.000 1.181 763 A CA 0.898 52.980 52.037 0.075 0.000 0.620 763 A CB -1.145 17.904 19.000 0.081 0.000 0.821 763 A HN 0.679 nan 8.150 nan 0.000 0.443 764 W N 1.359 122.652 121.300 -0.012 0.000 2.315 764 W HA -0.206 4.454 4.660 0.001 0.000 0.323 764 W C 1.908 178.431 176.519 0.007 0.000 1.233 764 W CA 2.657 60.008 57.345 0.011 0.000 1.267 764 W CB -0.921 28.509 29.460 -0.050 0.000 1.160 764 W HN 0.358 nan 8.180 nan 0.000 0.474 765 T N 0.874 115.567 114.554 0.231 0.000 2.759 765 T HA -0.230 4.120 4.350 0.001 0.000 0.269 765 T C 1.851 176.511 174.700 -0.066 0.000 1.042 765 T CA 1.901 64.075 62.100 0.123 0.000 1.140 765 T CB -0.372 68.585 68.868 0.147 0.000 0.864 765 T HN 0.138 nan 8.240 nan 0.000 0.455 766 R N 0.712 121.183 120.500 -0.049 0.000 2.080 766 R HA -0.070 4.270 4.340 0.001 0.000 0.236 766 R C 2.767 178.980 176.300 -0.145 0.000 1.137 766 R CA 1.589 57.635 56.100 -0.089 0.000 0.943 766 R CB -0.556 29.710 30.300 -0.055 0.000 0.846 766 R HN 0.390 nan 8.270 nan 0.000 0.431 767 A N 0.455 123.176 122.820 -0.166 0.000 1.908 767 A HA -0.156 4.165 4.320 0.001 0.000 0.218 767 A C 2.295 179.737 177.584 -0.237 0.000 1.181 767 A CA 1.840 53.745 52.037 -0.221 0.000 0.627 767 A CB -0.792 18.030 19.000 -0.296 0.000 0.818 767 A HN 0.488 nan 8.150 nan 0.000 0.445 768 A N -0.165 122.497 122.820 -0.263 0.000 1.898 768 A HA -0.061 4.259 4.320 0.001 0.000 0.216 768 A C 2.087 179.580 177.584 -0.153 0.000 1.181 768 A CA 1.494 53.440 52.037 -0.153 0.000 0.620 768 A CB -0.600 18.408 19.000 0.015 0.000 0.819 768 A HN 0.482 nan 8.150 nan 0.000 0.442 769 I N -0.350 120.004 120.570 -0.360 0.000 2.454 769 I HA -0.230 3.940 4.170 0.001 0.000 0.254 769 I C 2.069 178.085 176.117 -0.170 0.000 1.156 769 I CA 0.930 61.966 61.300 -0.441 0.000 1.433 769 I CB -0.150 37.600 38.000 -0.418 0.000 1.082 769 I HN 0.281 nan 8.210 nan 0.000 0.432 770 L N -0.210 120.929 121.223 -0.140 0.000 2.341 770 L HA -0.067 4.274 4.340 0.001 0.000 0.214 770 L C 2.157 178.995 176.870 -0.054 0.000 1.115 770 L CA 0.667 55.453 54.840 -0.091 0.000 0.820 770 L CB -0.590 41.411 42.059 -0.096 0.000 0.944 770 L HN 0.297 nan 8.230 nan 0.000 0.452 771 N N -0.332 118.337 118.700 -0.051 0.000 2.084 771 N HA -0.148 4.592 4.740 0.001 0.000 0.190 771 N C 1.676 177.208 175.510 0.037 0.000 1.030 771 N CA 1.924 54.970 53.050 -0.007 0.000 0.849 771 N CB -0.063 38.413 38.487 -0.017 0.000 1.012 771 N HN 0.282 nan 8.380 nan 0.000 0.423 772 T N 1.384 115.969 114.554 0.050 0.000 2.622 772 T HA -0.127 4.223 4.350 0.001 0.000 0.266 772 T C 2.048 176.772 174.700 0.040 0.000 1.047 772 T CA 1.534 63.678 62.100 0.074 0.000 1.159 772 T CB -0.364 68.591 68.868 0.144 0.000 0.863 772 T HN 0.333 nan 8.240 nan 0.000 0.422 773 A N 1.177 124.003 122.820 0.010 0.000 1.969 773 A HA -0.025 4.295 4.320 0.001 0.000 0.218 773 A C 2.201 179.789 177.584 0.006 0.000 1.169 773 A CA 1.148 53.182 52.037 -0.005 0.000 0.635 773 A CB -0.311 18.671 19.000 -0.030 0.000 0.810 773 A HN 0.419 nan 8.150 nan 0.000 0.445 774 R N -2.004 118.506 120.500 0.017 0.000 2.393 774 R HA 0.179 4.520 4.340 0.001 0.000 0.244 774 R C 0.370 176.709 176.300 0.065 0.000 0.920 774 R CA 0.066 56.178 56.100 0.021 0.000 1.076 774 R CB -0.039 30.267 30.300 0.010 0.000 1.119 774 R HN 0.458 nan 8.270 nan 0.000 0.524 775 C N 0.035 119.406 119.300 0.117 0.000 2.780 775 C HA 0.202 4.662 4.460 0.001 0.000 0.287 775 C C 2.235 177.329 174.990 0.173 0.000 1.288 775 C CA -0.441 58.736 59.018 0.265 0.000 1.713 775 C CB -0.387 27.557 27.740 0.341 0.000 1.955 775 C HN 0.684 nan 8.230 nan 0.000 0.613 776 G N 2.180 111.012 108.800 0.053 0.000 2.507 776 G HA2 -0.351 3.610 3.960 0.001 0.000 0.221 776 G HA3 -0.351 3.610 3.960 0.001 0.000 0.221 776 G C 1.577 176.446 174.900 -0.051 0.000 1.119 776 G CA 1.469 46.585 45.100 0.027 0.000 0.751 776 G HN 0.712 nan 8.290 nan 0.000 0.574 777 M N -1.619 117.839 119.600 -0.238 0.000 2.446 777 M HA 0.247 4.728 4.480 0.001 0.000 0.263 777 M C 1.287 177.351 176.300 -0.392 0.000 1.066 777 M CA 1.270 56.341 55.300 -0.381 0.000 1.087 777 M CB -0.298 31.963 32.600 -0.565 0.000 1.406 777 M HN 0.023 nan 8.290 nan 0.000 0.459 778 F N 0.821 120.801 119.950 0.050 0.000 2.732 778 F HA 0.331 4.859 4.527 0.001 0.000 0.303 778 F C 1.383 177.235 175.800 0.087 0.000 1.110 778 F CA -0.502 57.535 58.000 0.062 0.000 1.355 778 F CB -0.544 38.482 39.000 0.045 0.000 1.081 778 F HN 0.135 nan 8.300 nan 0.000 0.565 779 S N 0.425 116.240 115.700 0.192 0.000 2.552 779 S HA -0.016 4.455 4.470 0.001 0.000 0.289 779 S C 1.624 176.330 174.600 0.175 0.000 1.304 779 S CA 0.224 58.526 58.200 0.171 0.000 1.063 779 S CB 0.574 63.842 63.200 0.113 0.000 0.848 779 S HN 0.414 nan 8.310 nan 0.000 0.499 780 S N 3.461 119.289 115.700 0.215 0.000 2.442 780 S HA -0.124 4.347 4.470 0.001 0.000 0.236 780 S C 1.131 175.801 174.600 0.118 0.000 1.007 780 S CA 1.115 59.469 58.200 0.257 0.000 0.965 780 S CB -0.478 62.948 63.200 0.377 0.000 0.773 780 S HN 0.810 nan 8.310 nan 0.000 0.504 781 D N 1.814 122.265 120.400 0.085 0.000 2.123 781 D HA -0.119 4.521 4.640 0.001 0.000 0.196 781 D C 2.085 178.393 176.300 0.014 0.000 0.992 781 D CA 1.006 55.028 54.000 0.037 0.000 0.833 781 D CB -0.371 40.448 40.800 0.031 0.000 0.954 781 D HN 0.298 nan 8.370 nan 0.000 0.455 782 R N 0.901 121.413 120.500 0.021 0.000 2.092 782 R HA -0.040 4.300 4.340 0.001 0.000 0.231 782 R C 2.050 178.336 176.300 -0.023 0.000 1.119 782 R CA 0.881 56.977 56.100 -0.007 0.000 0.970 782 R CB -0.298 29.991 30.300 -0.019 0.000 0.864 782 R HN 0.060 nan 8.270 nan 0.000 0.440 783 S N 1.251 116.956 115.700 0.009 0.000 2.359 783 S HA -0.120 4.351 4.470 0.001 0.000 0.224 783 S C 1.980 176.524 174.600 -0.094 0.000 1.035 783 S CA 1.215 59.409 58.200 -0.011 0.000 1.018 783 S CB -0.178 63.086 63.200 0.107 0.000 0.876 783 S HN 0.230 nan 8.310 nan 0.000 0.448 784 I N 1.364 121.846 120.570 -0.146 0.000 2.286 784 I HA -0.089 4.082 4.170 0.001 0.000 0.248 784 I C 2.440 178.530 176.117 -0.044 0.000 1.115 784 I CA 1.295 62.527 61.300 -0.114 0.000 1.392 784 I CB -1.072 36.899 38.000 -0.048 0.000 1.065 784 I HN 0.140 nan 8.210 nan 0.000 0.418 785 R N 1.234 121.709 120.500 -0.041 0.000 2.081 785 R HA -0.135 4.206 4.340 0.001 0.000 0.235 785 R C 1.878 178.127 176.300 -0.084 0.000 1.131 785 R CA 1.183 57.263 56.100 -0.034 0.000 0.960 785 R CB -0.746 29.536 30.300 -0.029 0.000 0.856 785 R HN 0.330 nan 8.270 nan 0.000 0.436 786 D N -0.934 119.387 120.400 -0.132 0.000 2.097 786 D HA -0.166 4.475 4.640 0.001 0.000 0.195 786 D C 1.842 177.940 176.300 -0.336 0.000 0.989 786 D CA 1.269 55.141 54.000 -0.213 0.000 0.827 786 D CB -0.350 40.304 40.800 -0.244 0.000 0.966 786 D HN 0.216 nan 8.370 nan 0.000 0.456 787 Y N 1.451 121.452 120.300 -0.498 0.000 2.165 787 Y HA -0.194 4.357 4.550 0.001 0.000 0.286 787 Y C 2.650 178.140 175.900 -0.682 0.000 1.155 787 Y CA 1.324 58.890 58.100 -0.891 0.000 1.164 787 Y CB -0.320 37.084 38.460 -1.761 0.000 0.978 787 Y HN 0.055 nan 8.280 nan 0.000 0.513 788 Q N -0.758 118.939 119.800 -0.173 0.000 2.061 788 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 788 Q C 2.514 178.521 176.000 0.011 0.000 0.984 788 Q CA 1.678 57.522 55.803 0.068 0.000 0.846 788 Q CB -0.397 28.406 28.738 0.109 0.000 0.902 788 Q HN 0.534 nan 8.270 nan 0.000 0.421 789 A N 0.539 123.326 122.820 -0.054 0.000 2.016 789 A HA -0.064 4.257 4.320 0.001 0.000 0.217 789 A C 1.833 179.376 177.584 -0.070 0.000 1.162 789 A CA 0.774 52.785 52.037 -0.044 0.000 0.662 789 A CB -0.025 18.948 19.000 -0.045 0.000 0.812 789 A HN 0.169 nan 8.150 nan 0.000 0.450 790 R N -1.458 118.949 120.500 -0.155 0.000 2.237 790 R HA 0.400 4.741 4.340 0.001 0.000 0.195 790 R C 0.976 177.103 176.300 -0.288 0.000 0.956 790 R CA 0.886 56.852 56.100 -0.224 0.000 1.029 790 R CB 0.155 30.256 30.300 -0.332 0.000 0.972 790 R HN 0.535 nan 8.270 nan 0.000 0.493 791 I N -2.677 117.781 120.570 -0.187 0.000 3.557 791 I HA 0.029 4.199 4.170 0.001 0.000 0.259 791 I C 1.179 177.462 176.117 0.276 0.000 1.108 791 I CA -0.212 61.094 61.300 0.010 0.000 1.536 791 I CB -0.166 37.748 38.000 -0.144 0.000 1.727 791 I HN 0.019 nan 8.210 nan 0.000 0.408 792 W N 2.005 123.393 121.300 0.147 0.000 2.409 792 W HA -0.012 4.649 4.660 0.001 0.000 0.299 792 W C 1.979 178.524 176.519 0.044 0.000 1.203 792 W CA 0.657 58.077 57.345 0.125 0.000 1.298 792 W CB -0.643 28.880 29.460 0.104 0.000 1.127 792 W HN 0.200 nan 8.180 nan 0.000 0.528 793 Q N -0.667 119.274 119.800 0.236 0.000 2.247 793 Q HA 0.314 4.655 4.340 0.001 0.000 0.204 793 Q C 0.643 176.669 176.000 0.043 0.000 0.872 793 Q CA -0.010 55.859 55.803 0.111 0.000 0.951 793 Q CB -0.363 28.434 28.738 0.099 0.000 1.099 793 Q HN -0.001 nan 8.270 nan 0.000 0.501 794 A N 1.444 124.287 122.820 0.038 0.000 2.366 794 A HA 0.301 4.621 4.320 0.001 0.000 0.250 794 A C 0.313 177.876 177.584 -0.034 0.000 1.099 794 A CA -0.308 51.734 52.037 0.008 0.000 0.794 794 A CB 0.288 19.304 19.000 0.026 0.000 1.056 794 A HN 0.143 nan 8.150 nan 0.000 0.499 795 K N 0.681 121.064 120.400 -0.028 0.000 2.174 795 K HA 0.354 4.675 4.320 0.001 0.000 0.275 795 K C 0.029 176.589 176.600 -0.065 0.000 1.015 795 K CA -0.200 56.058 56.287 -0.048 0.000 0.933 795 K CB 0.647 33.133 32.500 -0.022 0.000 1.025 795 K HN 0.686 nan 8.250 nan 0.000 0.463 796 R N 0.000 120.434 120.500 -0.110 0.000 2.786 796 R HA 0.000 4.341 4.340 0.001 0.000 0.208 796 R CA 0.000 56.024 56.100 -0.127 0.000 0.921 796 R CB 0.000 30.148 30.300 -0.252 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535