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 1e4o_1_B 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 HTAGKKLRLM 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 DDAKFRDQYR 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 0.000 174.589 174.600 -0.019 0.000 1.055 1 S CA 0.000 58.167 58.200 -0.054 0.000 1.107 1 S CB 0.000 63.218 63.200 0.029 0.000 0.593 2 Q N -0.883 118.944 119.800 0.044 0.000 1.954 2 Q HA 0.115 4.454 4.340 -0.002 0.000 0.149 2 Q C -2.837 173.237 176.000 0.122 0.000 0.692 2 Q CA 0.442 56.274 55.803 0.049 0.000 0.691 2 Q CB -0.939 27.805 28.738 0.008 0.000 1.069 2 Q HN 0.427 nan 8.270 nan 0.000 0.351 3 P HA 0.423 nan 4.420 nan 0.000 0.292 3 P C -0.461 177.171 177.300 0.553 0.000 1.326 3 P CA -0.020 63.314 63.100 0.390 0.000 0.787 3 P CB 0.638 32.545 31.700 0.345 0.000 0.903 4 I N 3.732 124.488 120.570 0.310 0.000 2.365 4 I HA 0.278 4.446 4.170 -0.002 0.000 0.291 4 I C 0.448 176.436 176.117 -0.214 0.000 1.004 4 I CA -0.719 60.634 61.300 0.089 0.000 1.311 4 I CB 0.412 38.427 38.000 0.024 0.000 1.401 4 I HN 0.262 nan 8.210 nan 0.000 0.491 5 F N 6.558 126.096 119.950 -0.687 0.000 2.371 5 F HA 0.366 4.891 4.527 -0.002 0.000 0.329 5 F C 0.192 175.694 175.800 -0.495 0.000 1.107 5 F CA -0.347 57.010 58.000 -1.071 0.000 1.137 5 F CB 0.725 39.025 39.000 -1.167 0.000 1.214 5 F HN 0.521 nan 8.300 nan 0.000 0.536 6 N N 4.425 122.303 118.700 -1.370 0.000 2.664 6 N HA 0.014 4.752 4.740 -0.002 0.000 0.268 6 N C 0.033 175.028 175.510 -0.858 0.000 1.222 6 N CA -0.402 52.190 53.050 -0.763 0.000 0.805 6 N CB 0.578 38.819 38.487 -0.411 0.000 1.399 6 N HN 0.881 nan 8.380 nan 0.000 0.547 7 D N 2.920 122.993 120.400 -0.545 0.000 2.203 7 D HA -0.247 4.392 4.640 -0.002 0.000 0.199 7 D C 1.332 177.626 176.300 -0.011 0.000 0.997 7 D CA 1.302 55.234 54.000 -0.112 0.000 0.863 7 D CB 0.418 41.311 40.800 0.155 0.000 0.928 7 D HN 0.610 nan 8.370 nan 0.000 0.458 8 K N 0.323 120.678 120.400 -0.076 0.000 2.026 8 K HA -0.218 4.100 4.320 -0.002 0.000 0.208 8 K C 2.377 178.944 176.600 -0.055 0.000 1.048 8 K CA 1.408 57.674 56.287 -0.035 0.000 0.929 8 K CB -0.137 32.331 32.500 -0.053 0.000 0.713 8 K HN 0.158 nan 8.250 nan 0.000 0.439 9 Q N -0.293 119.428 119.800 -0.132 0.000 2.050 9 Q HA -0.188 4.150 4.340 -0.002 0.000 0.202 9 Q C 1.948 177.889 176.000 -0.099 0.000 0.980 9 Q CA 1.750 57.475 55.803 -0.130 0.000 0.840 9 Q CB -0.259 28.376 28.738 -0.172 0.000 0.898 9 Q HN 0.385 nan 8.270 nan 0.000 0.424 10 F N 1.026 120.818 119.950 -0.263 0.000 2.287 10 F HA -0.256 4.269 4.527 -0.002 0.000 0.301 10 F C 2.057 177.860 175.800 0.005 0.000 1.069 10 F CA 1.723 59.650 58.000 -0.122 0.000 1.372 10 F CB 0.109 39.047 39.000 -0.104 0.000 1.056 10 F HN 0.186 nan 8.300 nan 0.000 0.523 11 Q N 0.265 120.094 119.800 0.049 0.000 2.061 11 Q HA -0.115 4.224 4.340 -0.002 0.000 0.195 11 Q C 2.157 178.117 176.000 -0.066 0.000 0.967 11 Q CA 1.677 57.523 55.803 0.071 0.000 0.829 11 Q CB -0.113 28.749 28.738 0.206 0.000 0.900 11 Q HN 0.504 nan 8.270 nan 0.000 0.450 12 E N 0.163 120.314 120.200 -0.082 0.000 2.118 12 E HA -0.227 4.121 4.350 -0.002 0.000 0.195 12 E C 1.845 178.304 176.600 -0.234 0.000 0.992 12 E CA 0.872 57.192 56.400 -0.134 0.000 0.804 12 E CB -0.198 29.435 29.700 -0.112 0.000 0.741 12 E HN 0.392 nan 8.360 nan 0.000 0.458 13 A N 1.785 124.448 122.820 -0.261 0.000 1.841 13 A HA -0.186 4.132 4.320 -0.002 0.000 0.216 13 A C 2.248 179.585 177.584 -0.412 0.000 1.199 13 A CA 1.296 53.142 52.037 -0.319 0.000 0.621 13 A CB -0.885 17.928 19.000 -0.312 0.000 0.835 13 A HN 0.275 nan 8.150 nan 0.000 0.445 14 L N -0.326 120.607 121.223 -0.484 0.000 2.187 14 L HA -0.171 4.167 4.340 -0.002 0.000 0.213 14 L C 2.678 179.267 176.870 -0.469 0.000 1.100 14 L CA 1.917 56.483 54.840 -0.456 0.000 0.765 14 L CB -0.198 41.570 42.059 -0.485 0.000 0.904 14 L HN 0.456 nan 8.230 nan 0.000 0.437 15 S N -0.383 115.042 115.700 -0.458 0.000 2.368 15 S HA -0.196 4.272 4.470 -0.002 0.000 0.224 15 S C 2.122 176.036 174.600 -1.144 0.000 1.029 15 S CA 1.165 58.870 58.200 -0.826 0.000 0.988 15 S CB -0.203 62.770 63.200 -0.378 0.000 0.838 15 S HN 0.479 nan 8.310 nan 0.000 0.462 16 R N 0.168 120.256 120.500 -0.686 0.000 2.152 16 R HA -0.049 4.289 4.340 -0.002 0.000 0.232 16 R C 2.522 178.436 176.300 -0.643 0.000 1.117 16 R CA 1.287 57.035 56.100 -0.586 0.000 0.981 16 R CB -0.140 29.919 30.300 -0.402 0.000 0.870 16 R HN 0.481 nan 8.270 nan 0.000 0.451 17 Q N 0.048 119.442 119.800 -0.678 0.000 1.946 17 Q HA -0.165 4.174 4.340 -0.002 0.000 0.199 17 Q C 1.990 177.512 176.000 -0.796 0.000 0.979 17 Q CA 1.496 56.889 55.803 -0.682 0.000 0.834 17 Q CB -0.892 27.543 28.738 -0.506 0.000 0.899 17 Q HN 0.601 nan 8.270 nan 0.000 0.431 18 W N 1.187 122.224 121.300 -0.440 0.000 2.560 18 W HA -0.085 4.574 4.660 -0.002 0.000 0.252 18 W C 1.040 177.445 176.519 -0.190 0.000 1.242 18 W CA 0.588 57.807 57.345 -0.209 0.000 1.242 18 W CB -0.503 28.856 29.460 -0.169 0.000 1.136 18 W HN 0.300 nan 8.180 nan 0.000 0.625 19 Q N 0.791 120.249 119.800 -0.571 0.000 2.269 19 Q HA -0.057 4.282 4.340 -0.002 0.000 0.201 19 Q C 2.521 178.360 176.000 -0.270 0.000 0.946 19 Q CA 0.781 56.326 55.803 -0.430 0.000 0.877 19 Q CB -0.109 28.214 28.738 -0.692 0.000 0.963 19 Q HN 0.234 nan 8.270 nan 0.000 0.472 20 R N -0.573 119.678 120.500 -0.415 0.000 2.148 20 R HA -0.096 4.243 4.340 -0.002 0.000 0.223 20 R C 0.988 177.172 176.300 -0.193 0.000 1.088 20 R CA 0.982 56.874 56.100 -0.346 0.000 0.985 20 R CB 0.108 30.121 30.300 -0.478 0.000 0.880 20 R HN 0.363 nan 8.270 nan 0.000 0.451 21 Y N -1.242 119.031 120.300 -0.046 0.000 2.546 21 Y HA 0.147 4.696 4.550 -0.002 0.000 0.287 21 Y C 1.724 177.631 175.900 0.012 0.000 1.158 21 Y CA 0.002 58.094 58.100 -0.013 0.000 1.307 21 Y CB 0.747 39.206 38.460 -0.000 0.000 1.036 21 Y HN 0.389 nan 8.280 nan 0.000 0.532 22 G N -0.016 108.868 108.800 0.139 0.000 2.284 22 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.230 22 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.230 22 G C 0.049 175.043 174.900 0.155 0.000 1.021 22 G CA -0.207 44.958 45.100 0.109 0.000 0.619 22 G HN 0.062 nan 8.290 nan 0.000 0.510 23 L N 1.463 122.821 121.223 0.224 0.000 2.581 23 L HA 0.154 4.492 4.340 -0.002 0.000 0.299 23 L C 1.465 178.506 176.870 0.285 0.000 1.261 23 L CA 0.978 55.949 54.840 0.219 0.000 0.866 23 L CB 0.189 42.391 42.059 0.239 0.000 1.113 23 L HN 0.274 nan 8.230 nan 0.000 0.514 24 N N -0.144 118.615 118.700 0.098 0.000 2.299 24 N HA 0.055 4.793 4.740 -0.002 0.000 0.187 24 N C -0.398 174.964 175.510 -0.248 0.000 1.099 24 N CA 0.563 53.657 53.050 0.073 0.000 0.867 24 N CB 0.385 38.888 38.487 0.027 0.000 0.974 24 N HN 0.713 nan 8.380 nan 0.000 0.477 25 S N -2.176 113.148 115.700 -0.626 0.000 2.578 25 S HA 0.540 5.008 4.470 -0.002 0.000 0.285 25 S C 0.637 174.572 174.600 -1.107 0.000 1.126 25 S CA -0.335 57.207 58.200 -1.097 0.000 0.878 25 S CB 1.255 64.181 63.200 -0.457 0.000 1.091 25 S HN 0.017 nan 8.310 nan 0.000 0.450 26 A N 2.661 124.594 122.820 -1.479 0.000 1.929 26 A HA -0.050 4.269 4.320 -0.002 0.000 0.221 26 A C 2.428 179.831 177.584 -0.302 0.000 1.211 26 A CA 3.166 54.639 52.037 -0.941 0.000 0.657 26 A CB -1.773 16.909 19.000 -0.530 0.000 0.827 26 A HN 2.008 nan 8.150 nan 0.000 0.462 27 A N -0.421 122.355 122.820 -0.073 0.000 1.884 27 A HA -0.299 4.020 4.320 -0.002 0.000 0.219 27 A C 1.842 179.473 177.584 0.078 0.000 1.197 27 A CA 2.032 54.136 52.037 0.111 0.000 0.637 27 A CB -0.840 18.189 19.000 0.049 0.000 0.827 27 A HN 0.700 nan 8.150 nan 0.000 0.450 28 E N -0.952 119.219 120.200 -0.047 0.000 2.219 28 E HA -0.165 4.184 4.350 -0.002 0.000 0.198 28 E C 0.574 177.174 176.600 -0.000 0.000 0.998 28 E CA 0.388 56.775 56.400 -0.022 0.000 0.818 28 E CB -0.325 29.346 29.700 -0.049 0.000 0.741 28 E HN 0.671 nan 8.360 nan 0.000 0.477 29 M N 1.773 121.345 119.600 -0.047 0.000 2.260 29 M HA -0.049 4.430 4.480 -0.002 0.000 0.348 29 M C 0.704 177.071 176.300 0.112 0.000 1.342 29 M CA 0.303 55.547 55.300 -0.094 0.000 1.040 29 M CB 0.605 32.912 32.600 -0.488 0.000 1.810 29 M HN 0.003 nan 8.290 nan 0.000 0.453 30 T N 1.599 116.186 114.554 0.055 0.000 2.754 30 T HA 0.295 4.644 4.350 -0.002 0.000 0.286 30 T C -2.040 172.807 174.700 0.244 0.000 0.997 30 T CA -1.505 60.669 62.100 0.123 0.000 0.982 30 T CB 0.548 69.441 68.868 0.042 0.000 1.027 30 T HN 0.436 nan 8.240 nan 0.000 0.529 31 P HA -0.049 nan 4.420 nan 0.000 0.216 31 P C 1.704 179.167 177.300 0.271 0.000 1.150 31 P CA 0.984 64.231 63.100 0.245 0.000 0.837 31 P CB 0.006 31.787 31.700 0.136 0.000 0.786 32 R N 0.129 120.739 120.500 0.182 0.000 2.066 32 R HA -0.154 4.184 4.340 -0.002 0.000 0.232 32 R C 2.234 178.675 176.300 0.236 0.000 1.131 32 R CA 1.621 57.838 56.100 0.196 0.000 0.955 32 R CB -0.640 29.728 30.300 0.114 0.000 0.851 32 R HN 0.169 nan 8.270 nan 0.000 0.432 33 Q N -0.561 119.276 119.800 0.060 0.000 2.061 33 Q HA -0.239 4.099 4.340 -0.002 0.000 0.204 33 Q C 1.897 177.931 176.000 0.057 0.000 0.984 33 Q CA 2.064 57.789 55.803 -0.129 0.000 0.846 33 Q CB -0.330 28.139 28.738 -0.448 0.000 0.902 33 Q HN 0.443 nan 8.270 nan 0.000 0.421 34 W N 0.193 121.551 121.300 0.097 0.000 2.298 34 W HA -0.287 4.371 4.660 -0.003 0.000 0.328 34 W C 2.202 178.817 176.519 0.161 0.000 1.259 34 W CA 1.619 59.038 57.345 0.122 0.000 1.251 34 W CB -0.800 28.727 29.460 0.112 0.000 1.161 34 W HN 0.365 nan 8.180 nan 0.000 0.466 35 W N 0.543 122.030 121.300 0.312 0.000 2.338 35 W HA -0.248 4.411 4.660 -0.003 0.000 0.304 35 W C 2.027 178.606 176.519 0.099 0.000 1.212 35 W CA 2.393 59.860 57.345 0.203 0.000 1.264 35 W CB -0.758 28.807 29.460 0.175 0.000 1.142 35 W HN -0.161 nan 8.180 nan 0.000 0.512 36 L N 0.751 122.039 121.223 0.108 0.000 1.955 36 L HA -0.251 4.087 4.340 -0.002 0.000 0.213 36 L C 2.874 179.566 176.870 -0.297 0.000 1.072 36 L CA 1.785 56.478 54.840 -0.245 0.000 0.755 36 L CB -1.818 40.314 42.059 0.122 0.000 0.888 36 L HN 0.138 nan 8.230 nan 0.000 0.432 37 A N 0.037 122.823 122.820 -0.056 0.000 1.859 37 A HA -0.242 4.076 4.320 -0.002 0.000 0.218 37 A C 2.343 179.775 177.584 -0.253 0.000 1.209 37 A CA 2.591 54.547 52.037 -0.135 0.000 0.639 37 A CB -1.246 17.702 19.000 -0.086 0.000 0.835 37 A HN 0.204 nan 8.150 nan 0.000 0.450 38 V N -0.041 119.787 119.914 -0.144 0.000 2.252 38 V HA -0.290 3.829 4.120 -0.002 0.000 0.249 38 V C 2.832 178.779 176.094 -0.244 0.000 1.056 38 V CA 2.597 64.852 62.300 -0.076 0.000 1.022 38 V CB -0.992 30.953 31.823 0.202 0.000 0.641 38 V HN 0.613 nan 8.190 nan 0.000 0.445 39 S N -1.101 114.307 115.700 -0.486 0.000 2.383 39 S HA -0.196 4.272 4.470 -0.002 0.000 0.229 39 S C 1.917 175.920 174.600 -0.995 0.000 1.030 39 S CA 1.221 58.923 58.200 -0.829 0.000 1.002 39 S CB -0.290 62.160 63.200 -1.250 0.000 0.829 39 S HN 0.579 nan 8.310 nan 0.000 0.467 40 E N 1.674 121.439 120.200 -0.726 0.000 2.001 40 E HA -0.102 4.247 4.350 -0.002 0.000 0.195 40 E C 2.511 178.827 176.600 -0.474 0.000 1.002 40 E CA 1.262 57.315 56.400 -0.579 0.000 0.819 40 E CB -0.679 28.773 29.700 -0.413 0.000 0.769 40 E HN 0.436 nan 8.360 nan 0.000 0.454 41 A N 1.065 123.651 122.820 -0.391 0.000 1.997 41 A HA -0.207 4.111 4.320 -0.002 0.000 0.221 41 A C 2.205 179.666 177.584 -0.205 0.000 1.172 41 A CA 1.391 53.235 52.037 -0.323 0.000 0.645 41 A CB -0.574 18.179 19.000 -0.412 0.000 0.813 41 A HN 0.211 nan 8.150 nan 0.000 0.454 42 L N -1.193 119.906 121.223 -0.206 0.000 2.291 42 L HA 0.046 4.384 4.340 -0.002 0.000 0.214 42 L C 2.663 179.474 176.870 -0.098 0.000 1.120 42 L CA 1.539 56.390 54.840 0.018 0.000 0.799 42 L CB -0.638 41.447 42.059 0.043 0.000 0.925 42 L HN 0.387 nan 8.230 nan 0.000 0.446 43 A N -1.295 121.274 122.820 -0.418 0.000 1.903 43 A HA -0.089 4.230 4.320 -0.002 0.000 0.213 43 A C 2.108 179.645 177.584 -0.079 0.000 1.185 43 A CA 0.793 52.654 52.037 -0.293 0.000 0.628 43 A CB -0.309 18.368 19.000 -0.539 0.000 0.830 43 A HN 0.429 nan 8.150 nan 0.000 0.446 44 E N -0.079 120.045 120.200 -0.128 0.000 2.070 44 E HA -0.269 4.080 4.350 -0.002 0.000 0.197 44 E C 2.066 178.670 176.600 0.007 0.000 1.004 44 E CA 1.803 58.157 56.400 -0.076 0.000 0.805 44 E CB -0.418 29.209 29.700 -0.121 0.000 0.744 44 E HN 0.648 nan 8.360 nan 0.000 0.451 45 M N 0.207 119.848 119.600 0.068 0.000 2.082 45 M HA -0.214 4.265 4.480 -0.002 0.000 0.258 45 M C 2.516 178.951 176.300 0.226 0.000 1.069 45 M CA 1.205 56.624 55.300 0.200 0.000 1.102 45 M CB -0.391 32.459 32.600 0.417 0.000 1.336 45 M HN 0.129 nan 8.290 nan 0.000 0.404 46 L N 0.386 121.711 121.223 0.170 0.000 2.083 46 L HA -0.158 4.181 4.340 -0.002 0.000 0.209 46 L C 2.449 179.374 176.870 0.090 0.000 1.083 46 L CA 1.861 56.765 54.840 0.107 0.000 0.752 46 L CB -0.473 41.663 42.059 0.129 0.000 0.899 46 L HN 0.150 nan 8.230 nan 0.000 0.433 47 R N -0.861 119.682 120.500 0.072 0.000 2.115 47 R HA 0.042 4.381 4.340 -0.002 0.000 0.226 47 R C 1.890 178.208 176.300 0.030 0.000 1.100 47 R CA 0.961 57.084 56.100 0.038 0.000 0.980 47 R CB -0.408 29.899 30.300 0.012 0.000 0.875 47 R HN 0.445 nan 8.270 nan 0.000 0.445 48 A N 0.900 123.746 122.820 0.043 0.000 2.259 48 A HA 0.012 4.331 4.320 -0.002 0.000 0.208 48 A C 0.278 177.899 177.584 0.062 0.000 1.201 48 A CA 0.244 52.302 52.037 0.035 0.000 0.824 48 A CB 0.147 19.161 19.000 0.024 0.000 0.838 48 A HN 0.101 nan 8.150 nan 0.000 0.485 49 Q N 1.449 121.303 119.800 0.090 0.000 2.256 49 Q HA 0.317 4.656 4.340 -0.002 0.000 0.254 49 Q C -2.421 173.647 176.000 0.113 0.000 0.916 49 Q CA -1.942 53.929 55.803 0.113 0.000 0.932 49 Q CB 1.132 29.958 28.738 0.147 0.000 1.207 49 Q HN 0.336 nan 8.270 nan 0.000 0.426 50 P HA 0.046 nan 4.420 nan 0.000 0.269 50 P C -0.612 176.817 177.300 0.216 0.000 1.209 50 P CA -0.029 63.163 63.100 0.153 0.000 0.776 50 P CB 0.266 32.029 31.700 0.106 0.000 0.876 51 F N 0.587 120.537 119.950 0.000 0.000 2.397 51 F HA 0.709 5.235 4.527 -0.003 0.000 0.331 51 F C -0.376 175.419 175.800 -0.009 0.000 1.090 51 F CA -1.344 56.651 58.000 -0.007 0.000 1.065 51 F CB 1.105 40.097 39.000 -0.014 0.000 1.184 51 F HN 0.399 nan 8.300 nan 0.000 0.499 52 A N 3.801 126.397 122.820 -0.372 0.000 2.309 52 A HA 0.413 4.731 4.320 -0.002 0.000 0.298 52 A C -0.548 176.579 177.584 -0.761 0.000 1.165 52 A CA -1.012 50.742 52.037 -0.471 0.000 0.821 52 A CB 0.468 19.338 19.000 -0.216 0.000 1.102 52 A HN 0.903 nan 8.150 nan 0.000 0.500 53 K N 2.930 122.917 120.400 -0.688 0.000 2.270 53 K HA 0.508 4.827 4.320 -0.002 0.000 0.276 53 K C -2.603 173.852 176.600 -0.243 0.000 1.023 53 K CA -1.006 54.962 56.287 -0.532 0.000 0.955 53 K CB 0.003 32.301 32.500 -0.336 0.000 0.975 53 K HN 0.346 nan 8.250 nan 0.000 0.471 54 P HA -0.084 nan 4.420 nan 0.000 0.273 54 P C -0.470 176.791 177.300 -0.066 0.000 1.258 54 P CA -0.612 62.440 63.100 -0.079 0.000 0.802 54 P CB 0.308 31.980 31.700 -0.045 0.000 1.040 55 V N -0.130 119.753 119.914 -0.050 0.000 3.432 55 V HA 0.048 4.166 4.120 -0.002 0.000 0.304 55 V C 1.645 177.725 176.094 -0.022 0.000 1.107 55 V CA 0.726 63.005 62.300 -0.035 0.000 1.153 55 V CB -0.249 31.559 31.823 -0.025 0.000 1.072 55 V HN 0.693 nan 8.190 nan 0.000 0.485 56 A N 1.598 124.409 122.820 -0.015 0.000 2.277 56 A HA -0.055 4.263 4.320 -0.002 0.000 0.208 56 A C 0.907 178.492 177.584 0.002 0.000 1.202 56 A CA 0.291 52.325 52.037 -0.005 0.000 0.762 56 A CB -1.488 17.508 19.000 -0.007 0.000 0.770 56 A HN 0.950 nan 8.150 nan 0.000 0.487 57 N N 0.868 119.568 118.700 -0.001 0.000 2.142 57 N HA -0.070 4.668 4.740 -0.002 0.000 0.282 57 N C 1.347 176.866 175.510 0.014 0.000 1.342 57 N CA 0.562 53.615 53.050 0.004 0.000 0.831 57 N CB 0.380 38.862 38.487 -0.008 0.000 1.083 57 N HN 0.737 nan 8.380 nan 0.000 0.492 58 Q N 3.032 122.832 119.800 0.000 0.000 2.119 58 Q HA -0.080 4.259 4.340 -0.002 0.000 0.201 58 Q C 0.031 176.033 176.000 0.004 0.000 0.972 58 Q CA 1.000 56.790 55.803 -0.021 0.000 0.847 58 Q CB 0.232 28.919 28.738 -0.085 0.000 0.903 58 Q HN 0.473 nan 8.270 nan 0.000 0.433 59 R N 0.941 121.453 120.500 0.020 0.000 2.532 59 R HA 0.284 4.622 4.340 -0.002 0.000 0.295 59 R C -0.770 175.568 176.300 0.064 0.000 0.968 59 R CA -0.753 55.381 56.100 0.056 0.000 0.916 59 R CB 1.227 31.555 30.300 0.045 0.000 1.124 59 R HN 0.250 nan 8.270 nan 0.000 0.463 60 H N 2.799 121.874 119.070 0.008 0.000 2.562 60 H HA 0.187 4.742 4.556 -0.003 0.000 0.314 60 H C -0.945 174.313 175.328 -0.117 0.000 1.079 60 H CA -0.307 55.719 56.048 -0.036 0.000 1.349 60 H CB 1.117 30.893 29.762 0.025 0.000 1.432 60 H HN 0.180 nan 8.280 nan 0.000 0.479 61 V N 6.934 126.633 119.914 -0.359 0.000 2.385 61 V HA 0.071 4.189 4.120 -0.002 0.000 0.269 61 V C 0.256 176.271 176.094 -0.131 0.000 1.043 61 V CA -0.671 61.382 62.300 -0.412 0.000 0.906 61 V CB 0.678 31.902 31.823 -0.999 0.000 0.995 61 V HN 0.732 nan 8.190 nan 0.000 0.467 62 N N 4.499 123.257 118.700 0.096 0.000 2.527 62 N HA 0.204 4.942 4.740 -0.002 0.000 0.236 62 N C -0.998 174.699 175.510 0.312 0.000 0.999 62 N CA -0.327 52.890 53.050 0.279 0.000 0.935 62 N CB 1.221 39.956 38.487 0.413 0.000 1.132 62 N HN 0.613 nan 8.380 nan 0.000 0.511 63 Y N 3.020 123.402 120.300 0.136 0.000 2.504 63 Y HA 0.324 4.872 4.550 -0.003 0.000 0.351 63 Y C 0.203 176.370 175.900 0.445 0.000 0.988 63 Y CA -0.427 57.826 58.100 0.255 0.000 1.239 63 Y CB 0.284 38.879 38.460 0.225 0.000 1.128 63 Y HN 0.363 nan 8.280 nan 0.000 0.525 64 I N 4.718 125.383 120.570 0.158 0.000 2.315 64 I HA 0.309 4.478 4.170 -0.002 0.000 0.291 64 I C 0.018 176.158 176.117 0.039 0.000 1.006 64 I CA -0.275 61.171 61.300 0.244 0.000 1.265 64 I CB 1.077 39.218 38.000 0.234 0.000 1.387 64 I HN 0.442 nan 8.210 nan 0.000 0.475 65 S N 5.453 121.185 115.700 0.053 0.000 2.556 65 S HA 0.459 4.927 4.470 -0.002 0.000 0.271 65 S C 0.366 174.876 174.600 -0.149 0.000 1.135 65 S CA -0.682 57.442 58.200 -0.128 0.000 0.858 65 S CB 1.935 64.918 63.200 -0.362 0.000 1.114 65 S HN 0.648 nan 8.310 nan 0.000 0.468 66 M N 1.968 121.564 119.600 -0.006 0.000 2.595 66 M HA 0.124 4.603 4.480 -0.002 0.000 0.248 66 M C 0.132 176.405 176.300 -0.044 0.000 1.119 66 M CA 0.758 56.081 55.300 0.039 0.000 1.079 66 M CB -0.308 32.342 32.600 0.084 0.000 1.472 66 M HN 0.698 nan 8.290 nan 0.000 0.501 67 E N -0.564 119.488 120.200 -0.247 0.000 2.321 67 E HA 0.375 4.724 4.350 -0.002 0.000 0.281 67 E C -1.484 174.856 176.600 -0.433 0.000 0.910 67 E CA -0.628 55.638 56.400 -0.225 0.000 0.770 67 E CB 1.143 30.738 29.700 -0.174 0.000 1.225 67 E HN 0.030 nan 8.360 nan 0.000 0.417 68 F N 2.625 122.603 119.950 0.047 0.000 2.532 68 F HA 0.263 4.789 4.527 -0.002 0.000 0.365 68 F C -0.393 175.378 175.800 -0.048 0.000 1.112 68 F CA -1.063 56.949 58.000 0.020 0.000 1.082 68 F CB 1.509 40.521 39.000 0.020 0.000 1.319 68 F HN 0.417 nan 8.300 nan 0.000 0.457 69 L N 6.157 127.427 121.223 0.079 0.000 2.423 69 L HA 0.271 4.610 4.340 -0.002 0.000 0.249 69 L C 1.058 177.934 176.870 0.011 0.000 1.276 69 L CA 0.283 55.118 54.840 -0.008 0.000 1.199 69 L CB -0.787 41.255 42.059 -0.029 0.000 1.407 69 L HN 0.642 nan 8.230 nan 0.000 0.410 70 I N -0.357 120.200 120.570 -0.022 0.000 2.193 70 I HA 0.376 4.545 4.170 -0.002 0.000 0.240 70 I C 1.329 177.391 176.117 -0.091 0.000 1.084 70 I CA 0.653 61.923 61.300 -0.050 0.000 1.365 70 I CB -0.863 37.083 38.000 -0.090 0.000 1.064 70 I HN 0.530 nan 8.210 nan 0.000 0.410 71 G N 1.028 109.744 108.800 -0.141 0.000 2.627 71 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.214 71 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.214 71 G C -0.437 174.410 174.900 -0.088 0.000 1.331 71 G CA -0.351 44.671 45.100 -0.130 0.000 0.891 71 G HN 0.577 nan 8.290 nan 0.000 0.539 72 R N -0.776 119.703 120.500 -0.035 0.000 2.734 72 R HA 0.397 4.736 4.340 -0.002 0.000 0.266 72 R C 0.784 177.116 176.300 0.054 0.000 1.044 72 R CA -0.002 56.151 56.100 0.088 0.000 1.128 72 R CB 0.207 30.567 30.300 0.101 0.000 1.010 72 R HN 0.335 nan 8.270 nan 0.000 0.461 73 L N 0.622 121.929 121.223 0.140 0.000 2.694 73 L HA 0.058 4.396 4.340 -0.002 0.000 0.228 73 L C 1.980 178.803 176.870 -0.078 0.000 1.048 73 L CA 1.099 55.875 54.840 -0.106 0.000 0.887 73 L CB -0.448 41.394 42.059 -0.361 0.000 1.265 73 L HN 0.701 nan 8.230 nan 0.000 0.492 74 T N -0.151 114.596 114.554 0.322 0.000 2.721 74 T HA -0.195 4.154 4.350 -0.002 0.000 0.268 74 T C 1.764 176.622 174.700 0.263 0.000 1.038 74 T CA 1.689 64.088 62.100 0.498 0.000 1.145 74 T CB -0.621 68.594 68.868 0.579 0.000 0.858 74 T HN 0.472 nan 8.240 nan 0.000 0.459 75 G N 1.230 110.159 108.800 0.215 0.000 2.424 75 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.214 75 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.214 75 G C 1.475 176.446 174.900 0.119 0.000 1.202 75 G CA 0.859 46.081 45.100 0.204 0.000 0.793 75 G HN 0.518 nan 8.290 nan 0.000 0.534 76 N N 1.076 119.781 118.700 0.008 0.000 2.132 76 N HA -0.154 4.584 4.740 -0.002 0.000 0.191 76 N C 1.979 177.431 175.510 -0.097 0.000 1.015 76 N CA 1.755 54.762 53.050 -0.073 0.000 0.864 76 N CB -0.168 38.231 38.487 -0.146 0.000 1.006 76 N HN 0.194 nan 8.380 nan 0.000 0.430 77 N N 0.049 118.650 118.700 -0.165 0.000 2.142 77 N HA -0.057 4.681 4.740 -0.002 0.000 0.186 77 N C 1.673 177.096 175.510 -0.144 0.000 1.023 77 N CA 0.701 53.598 53.050 -0.255 0.000 0.852 77 N CB -0.372 37.794 38.487 -0.534 0.000 0.998 77 N HN 0.321 nan 8.380 nan 0.000 0.424 78 L N 0.778 121.998 121.223 -0.006 0.000 1.989 78 L HA -0.168 4.170 4.340 -0.002 0.000 0.211 78 L C 2.420 179.340 176.870 0.084 0.000 1.071 78 L CA 0.881 55.758 54.840 0.061 0.000 0.749 78 L CB -0.661 41.487 42.059 0.148 0.000 0.890 78 L HN 0.158 nan 8.230 nan 0.000 0.431 79 L N 0.124 121.427 121.223 0.134 0.000 1.951 79 L HA -0.308 4.030 4.340 -0.002 0.000 0.222 79 L C 2.487 179.416 176.870 0.099 0.000 1.078 79 L CA 1.993 56.904 54.840 0.119 0.000 0.778 79 L CB -0.618 41.482 42.059 0.069 0.000 0.893 79 L HN 0.303 nan 8.230 nan 0.000 0.436 80 N N -0.162 118.581 118.700 0.071 0.000 2.137 80 N HA -0.226 4.513 4.740 -0.002 0.000 0.190 80 N C 1.947 177.397 175.510 -0.101 0.000 1.017 80 N CA 1.997 55.106 53.050 0.098 0.000 0.859 80 N CB -0.431 38.076 38.487 0.034 0.000 1.002 80 N HN 0.445 nan 8.380 nan 0.000 0.428 81 L N -0.166 120.948 121.223 -0.182 0.000 2.056 81 L HA -0.045 4.293 4.340 -0.002 0.000 0.207 81 L C 1.240 178.045 176.870 -0.108 0.000 1.078 81 L CA 1.043 55.688 54.840 -0.323 0.000 0.749 81 L CB -0.396 41.177 42.059 -0.810 0.000 0.901 81 L HN 0.319 nan 8.230 nan 0.000 0.433 82 G N -2.342 106.471 108.800 0.021 0.000 2.215 82 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.198 82 G HA3 -0.206 3.752 3.960 -0.002 0.000 0.198 82 G C -0.182 174.973 174.900 0.424 0.000 1.047 82 G CA -0.148 45.054 45.100 0.170 0.000 0.747 82 G HN 0.280 nan 8.290 nan 0.000 0.495 83 W N -1.279 120.014 121.300 -0.011 0.000 2.871 83 W HA 0.377 5.036 4.660 -0.002 0.000 0.340 83 W C 1.658 178.069 176.519 -0.181 0.000 1.058 83 W CA -0.707 56.557 57.345 -0.135 0.000 1.633 83 W CB -0.871 28.564 29.460 -0.041 0.000 1.067 83 W HN 0.313 nan 8.180 nan 0.000 0.554 84 Y N 2.192 122.537 120.300 0.075 0.000 1.977 84 Y HA -0.399 4.149 4.550 -0.002 0.000 0.264 84 Y C 2.732 178.591 175.900 -0.068 0.000 1.167 84 Y CA 2.863 60.971 58.100 0.014 0.000 1.102 84 Y CB -0.679 37.794 38.460 0.020 0.000 0.948 84 Y HN -0.181 nan 8.280 nan 0.000 0.489 85 Q N 0.446 120.417 119.800 0.286 0.000 2.045 85 Q HA -0.234 4.104 4.340 -0.002 0.000 0.206 85 Q C 1.959 177.884 176.000 -0.126 0.000 0.991 85 Q CA 2.213 58.085 55.803 0.116 0.000 0.851 85 Q CB -0.698 28.076 28.738 0.060 0.000 0.911 85 Q HN 0.622 nan 8.270 nan 0.000 0.418 86 D N -0.583 119.637 120.400 -0.300 0.000 2.104 86 D HA -0.134 4.504 4.640 -0.002 0.000 0.194 86 D C 2.010 177.842 176.300 -0.780 0.000 0.994 86 D CA 1.312 54.927 54.000 -0.641 0.000 0.830 86 D CB -0.127 39.963 40.800 -1.184 0.000 0.959 86 D HN 0.116 nan 8.370 nan 0.000 0.452 87 V N 0.843 120.293 119.914 -0.773 0.000 2.490 87 V HA -0.238 3.881 4.120 -0.002 0.000 0.250 87 V C 2.544 178.409 176.094 -0.383 0.000 1.061 87 V CA 1.557 63.470 62.300 -0.645 0.000 1.064 87 V CB -0.574 31.033 31.823 -0.361 0.000 0.670 87 V HN 0.194 nan 8.190 nan 0.000 0.461 88 Q N -0.099 119.531 119.800 -0.284 0.000 2.167 88 Q HA -0.222 4.117 4.340 -0.002 0.000 0.202 88 Q C 1.780 177.733 176.000 -0.079 0.000 0.970 88 Q CA 1.896 57.614 55.803 -0.142 0.000 0.855 88 Q CB -0.000 28.714 28.738 -0.040 0.000 0.911 88 Q HN 0.659 nan 8.270 nan 0.000 0.438 89 D N -0.592 119.743 120.400 -0.108 0.000 2.137 89 D HA -0.050 4.588 4.640 -0.002 0.000 0.202 89 D C 1.864 178.155 176.300 -0.016 0.000 0.970 89 D CA 1.203 55.171 54.000 -0.053 0.000 0.837 89 D CB -0.120 40.642 40.800 -0.064 0.000 0.981 89 D HN 0.093 nan 8.370 nan 0.000 0.475 90 S N 0.236 115.902 115.700 -0.056 0.000 2.423 90 S HA -0.061 4.408 4.470 -0.002 0.000 0.231 90 S C 1.630 176.384 174.600 0.255 0.000 1.014 90 S CA 0.292 58.533 58.200 0.069 0.000 0.965 90 S CB 0.023 63.188 63.200 -0.058 0.000 0.785 90 S HN 0.105 nan 8.310 nan 0.000 0.495 91 L N 2.242 123.566 121.223 0.168 0.000 2.162 91 L HA 0.123 4.462 4.340 -0.002 0.000 0.205 91 L C 2.227 179.250 176.870 0.255 0.000 1.086 91 L CA 1.398 56.432 54.840 0.324 0.000 0.778 91 L CB -0.809 41.337 42.059 0.145 0.000 0.928 91 L HN 0.254 nan 8.230 nan 0.000 0.446 92 K N 0.142 120.607 120.400 0.109 0.000 2.144 92 K HA -0.245 4.073 4.320 -0.002 0.000 0.209 92 K C 1.773 178.403 176.600 0.049 0.000 1.047 92 K CA 1.884 58.205 56.287 0.056 0.000 0.927 92 K CB -0.318 32.195 32.500 0.023 0.000 0.716 92 K HN 0.245 nan 8.250 nan 0.000 0.454 93 A N 0.081 122.919 122.820 0.029 0.000 2.125 93 A HA -0.113 4.206 4.320 -0.002 0.000 0.219 93 A C 1.108 178.588 177.584 -0.174 0.000 1.156 93 A CA 1.050 53.022 52.037 -0.108 0.000 0.671 93 A CB -0.555 18.316 19.000 -0.216 0.000 0.794 93 A HN 0.562 nan 8.150 nan 0.000 0.459 94 Y N -1.016 119.334 120.300 0.083 0.000 2.458 94 Y HA 0.247 4.795 4.550 -0.002 0.000 0.256 94 Y C -0.180 175.714 175.900 -0.011 0.000 1.159 94 Y CA -0.196 57.961 58.100 0.094 0.000 1.261 94 Y CB 0.299 38.906 38.460 0.246 0.000 1.119 94 Y HN 0.313 nan 8.280 nan 0.000 0.524 95 D N 0.623 121.068 120.400 0.075 0.000 2.760 95 D HA -0.123 4.516 4.640 -0.002 0.000 0.244 95 D C -1.265 174.969 176.300 -0.111 0.000 1.096 95 D CA 0.463 54.458 54.000 -0.009 0.000 0.716 95 D CB -1.136 39.664 40.800 0.001 0.000 1.075 95 D HN 0.056 nan 8.370 nan 0.000 0.434 96 I N 0.936 121.422 120.570 -0.140 0.000 2.499 96 I HA 0.228 4.396 4.170 -0.002 0.000 0.288 96 I C 0.212 176.245 176.117 -0.139 0.000 1.048 96 I CA -0.693 60.438 61.300 -0.282 0.000 1.062 96 I CB 1.783 39.439 38.000 -0.573 0.000 1.238 96 I HN 0.015 nan 8.210 nan 0.000 0.426 97 N N 6.132 124.766 118.700 -0.110 0.000 2.415 97 N HA 0.062 4.800 4.740 -0.002 0.000 0.246 97 N C 0.877 176.377 175.510 -0.017 0.000 1.078 97 N CA -0.256 52.772 53.050 -0.037 0.000 0.942 97 N CB 0.960 39.438 38.487 -0.015 0.000 1.140 97 N HN 0.555 nan 8.380 nan 0.000 0.501 98 L N 4.662 125.882 121.223 -0.005 0.000 1.965 98 L HA -0.281 4.058 4.340 -0.002 0.000 0.226 98 L C 2.489 179.403 176.870 0.073 0.000 1.083 98 L CA 2.693 57.533 54.840 -0.000 0.000 0.790 98 L CB -1.409 40.583 42.059 -0.112 0.000 0.898 98 L HN 0.785 nan 8.230 nan 0.000 0.439 99 T N -4.198 110.439 114.554 0.139 0.000 2.896 99 T HA -0.215 4.134 4.350 -0.002 0.000 0.270 99 T C 1.485 176.249 174.700 0.106 0.000 1.104 99 T CA 1.654 63.852 62.100 0.163 0.000 1.115 99 T CB -0.690 68.272 68.868 0.156 0.000 0.843 99 T HN 0.426 nan 8.240 nan 0.000 0.523 100 D N 1.030 121.474 120.400 0.074 0.000 2.144 100 D HA 0.129 4.768 4.640 -0.002 0.000 0.207 100 D C 2.030 178.374 176.300 0.073 0.000 0.970 100 D CA 0.786 54.820 54.000 0.057 0.000 0.853 100 D CB -0.533 40.282 40.800 0.024 0.000 1.007 100 D HN 0.410 nan 8.370 nan 0.000 0.469 101 L N 0.446 121.716 121.223 0.078 0.000 2.081 101 L HA -0.165 4.173 4.340 -0.002 0.000 0.212 101 L C 1.907 178.925 176.870 0.246 0.000 1.080 101 L CA 1.328 56.261 54.840 0.155 0.000 0.754 101 L CB -0.213 41.938 42.059 0.152 0.000 0.893 101 L HN 0.049 nan 8.230 nan 0.000 0.433 102 L N -0.256 121.101 121.223 0.223 0.000 2.017 102 L HA -0.220 4.118 4.340 -0.002 0.000 0.208 102 L C 2.498 179.437 176.870 0.116 0.000 1.073 102 L CA 1.603 56.598 54.840 0.258 0.000 0.745 102 L CB -0.702 41.486 42.059 0.215 0.000 0.894 102 L HN 0.342 nan 8.230 nan 0.000 0.432 103 E N 0.068 120.312 120.200 0.074 0.000 2.455 103 E HA -0.193 4.155 4.350 -0.002 0.000 0.202 103 E C 1.845 178.415 176.600 -0.048 0.000 1.045 103 E CA 0.508 56.922 56.400 0.024 0.000 0.872 103 E CB 0.048 29.777 29.700 0.050 0.000 0.792 103 E HN 0.283 nan 8.360 nan 0.000 0.542 104 E N 0.352 120.493 120.200 -0.099 0.000 2.347 104 E HA -0.092 4.257 4.350 -0.002 0.000 0.196 104 E C 0.224 176.498 176.600 -0.542 0.000 1.008 104 E CA 0.242 56.518 56.400 -0.207 0.000 0.852 104 E CB -0.009 29.648 29.700 -0.071 0.000 0.783 104 E HN 0.410 nan 8.360 nan 0.000 0.505 105 E N 0.911 120.680 120.200 -0.718 0.000 2.316 105 E HA 0.136 4.484 4.350 -0.002 0.000 0.275 105 E C -0.443 175.968 176.600 -0.315 0.000 1.029 105 E CA -0.175 55.721 56.400 -0.840 0.000 0.871 105 E CB 0.585 30.030 29.700 -0.424 0.000 1.022 105 E HN -0.037 nan 8.360 nan 0.000 0.418 106 I N 4.348 124.784 120.570 -0.223 0.000 2.325 106 I HA 0.067 4.235 4.170 -0.002 0.000 0.291 106 I C -0.354 175.750 176.117 -0.021 0.000 1.019 106 I CA -0.749 60.512 61.300 -0.066 0.000 1.302 106 I CB 1.050 39.047 38.000 -0.005 0.000 1.401 106 I HN 0.553 nan 8.210 nan 0.000 0.485 107 D N 9.090 129.447 120.400 -0.073 0.000 2.581 107 D HA 0.025 4.663 4.640 -0.002 0.000 0.238 107 D C -2.298 173.797 176.300 -0.342 0.000 1.145 107 D CA -0.309 53.601 54.000 -0.151 0.000 0.866 107 D CB 0.136 40.842 40.800 -0.157 0.000 1.151 107 D HN 0.197 nan 8.370 nan 0.000 0.500 108 P HA 0.065 nan 4.420 nan 0.000 0.263 108 P C -0.779 175.747 177.300 -1.289 0.000 1.195 108 P CA 0.003 62.230 63.100 -1.455 0.000 0.762 108 P CB 0.601 31.439 31.700 -1.436 0.000 0.799 109 A N 4.429 126.235 122.820 -1.689 0.000 2.915 109 A HA 0.206 4.524 4.320 -0.002 0.000 0.292 109 A C 0.145 177.496 177.584 -0.389 0.000 1.632 109 A CA 0.295 51.922 52.037 -0.684 0.000 1.337 109 A CB -1.036 17.828 19.000 -0.226 0.000 1.111 109 A HN 0.400 nan 8.150 nan 0.000 0.569 110 L N 1.038 122.072 121.223 -0.315 0.000 3.267 110 L HA 0.430 4.769 4.340 -0.002 0.000 0.289 110 L C 0.868 177.737 176.870 -0.001 0.000 1.260 110 L CA 0.405 55.235 54.840 -0.017 0.000 1.034 110 L CB -0.132 41.876 42.059 -0.084 0.000 1.413 110 L HN 0.671 nan 8.230 nan 0.000 0.594 111 G N -1.172 107.557 108.800 -0.119 0.000 2.619 111 G HA2 0.365 4.323 3.960 -0.002 0.000 0.305 111 G HA3 0.365 4.323 3.960 -0.002 0.000 0.305 111 G C -0.444 174.339 174.900 -0.196 0.000 1.330 111 G CA 0.023 45.033 45.100 -0.150 0.000 0.789 111 G HN 0.003 nan 8.290 nan 0.000 0.487 112 N N -2.461 116.160 118.700 -0.132 0.000 3.458 112 N HA 0.346 5.085 4.740 -0.002 0.000 0.228 112 N C 1.108 176.615 175.510 -0.006 0.000 1.248 112 N CA 0.467 53.478 53.050 -0.066 0.000 1.187 112 N CB 0.421 38.944 38.487 0.060 0.000 1.130 112 N HN 0.754 nan 8.380 nan 0.000 0.812 113 G N -0.789 108.049 108.800 0.063 0.000 2.890 113 G HA2 0.402 4.360 3.960 -0.002 0.000 0.189 113 G HA3 0.402 4.360 3.960 -0.002 0.000 0.189 113 G C 0.748 175.650 174.900 0.003 0.000 1.342 113 G CA 0.182 45.313 45.100 0.052 0.000 1.026 113 G HN 0.400 nan 8.290 nan 0.000 0.579 114 G N -0.035 108.758 108.800 -0.011 0.000 2.553 114 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.218 114 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.218 114 G C 1.841 176.679 174.900 -0.103 0.000 1.195 114 G CA 1.600 46.658 45.100 -0.069 0.000 0.779 114 G HN 0.708 nan 8.290 nan 0.000 0.577 115 L N 1.832 122.986 121.223 -0.116 0.000 2.085 115 L HA -0.089 4.250 4.340 -0.002 0.000 0.218 115 L C 2.645 179.448 176.870 -0.112 0.000 1.080 115 L CA 2.865 57.582 54.840 -0.206 0.000 0.776 115 L CB -1.125 40.841 42.059 -0.155 0.000 0.891 115 L HN 0.203 nan 8.230 nan 0.000 0.437 116 G N -1.192 107.575 108.800 -0.055 0.000 2.484 116 G HA2 -0.332 3.626 3.960 -0.002 0.000 0.215 116 G HA3 -0.332 3.626 3.960 -0.002 0.000 0.215 116 G C 1.669 176.567 174.900 -0.004 0.000 1.219 116 G CA 0.777 45.851 45.100 -0.043 0.000 0.791 116 G HN 0.399 nan 8.290 nan 0.000 0.550 117 R N 0.314 120.799 120.500 -0.024 0.000 2.117 117 R HA 0.021 4.360 4.340 -0.002 0.000 0.243 117 R C 2.348 178.611 176.300 -0.062 0.000 1.143 117 R CA 0.832 56.931 56.100 -0.002 0.000 0.968 117 R CB -0.852 29.425 30.300 -0.038 0.000 0.863 117 R HN 0.359 nan 8.270 nan 0.000 0.444 118 L N -0.551 120.576 121.223 -0.160 0.000 2.275 118 L HA 0.023 4.362 4.340 -0.002 0.000 0.215 118 L C 1.591 178.205 176.870 -0.428 0.000 1.119 118 L CA 2.075 56.693 54.840 -0.369 0.000 0.790 118 L CB -0.877 40.972 42.059 -0.350 0.000 0.919 118 L HN 0.308 nan 8.230 nan 0.000 0.443 119 A N -0.476 122.316 122.820 -0.048 0.000 1.943 119 A HA 0.126 4.445 4.320 -0.002 0.000 0.213 119 A C 2.441 180.176 177.584 0.251 0.000 1.181 119 A CA 1.035 53.217 52.037 0.242 0.000 0.653 119 A CB -0.485 18.802 19.000 0.479 0.000 0.833 119 A HN 0.466 nan 8.150 nan 0.000 0.451 120 A N -0.711 122.240 122.820 0.218 0.000 1.873 120 A HA -0.157 4.161 4.320 -0.002 0.000 0.215 120 A C 2.277 179.907 177.584 0.075 0.000 1.186 120 A CA 1.655 53.781 52.037 0.149 0.000 0.616 120 A CB -1.295 17.781 19.000 0.126 0.000 0.823 120 A HN 0.556 nan 8.150 nan 0.000 0.442 121 C N -1.415 117.920 119.300 0.057 0.000 2.413 121 C HA -0.101 4.358 4.460 -0.002 0.000 0.276 121 C C 2.458 177.547 174.990 0.164 0.000 1.236 121 C CA 0.854 59.926 59.018 0.091 0.000 1.735 121 C CB -1.613 26.157 27.740 0.051 0.000 2.031 121 C HN 0.614 nan 8.230 nan 0.000 0.474 122 F N 0.441 120.386 119.950 -0.008 0.000 2.134 122 F HA -0.081 4.444 4.527 -0.003 0.000 0.299 122 F C 2.207 177.922 175.800 -0.142 0.000 1.097 122 F CA 0.958 58.901 58.000 -0.095 0.000 1.264 122 F CB -1.424 37.420 39.000 -0.260 0.000 1.001 122 F HN 0.080 nan 8.300 nan 0.000 0.479 123 L N 0.193 121.443 121.223 0.045 0.000 2.127 123 L HA -0.240 4.098 4.340 -0.002 0.000 0.211 123 L C 2.054 178.890 176.870 -0.057 0.000 1.089 123 L CA 1.879 56.674 54.840 -0.075 0.000 0.757 123 L CB -1.658 40.314 42.059 -0.144 0.000 0.899 123 L HN 0.174 nan 8.230 nan 0.000 0.434 124 D N -1.183 119.214 120.400 -0.005 0.000 2.085 124 D HA -0.140 4.499 4.640 -0.002 0.000 0.199 124 D C 2.287 178.592 176.300 0.009 0.000 0.981 124 D CA 1.365 55.358 54.000 -0.013 0.000 0.834 124 D CB 0.289 41.091 40.800 0.003 0.000 0.992 124 D HN 0.063 nan 8.370 nan 0.000 0.457 125 S N -0.582 115.157 115.700 0.065 0.000 2.368 125 S HA -0.264 4.205 4.470 -0.002 0.000 0.226 125 S C 1.961 176.570 174.600 0.014 0.000 1.044 125 S CA 1.443 59.682 58.200 0.065 0.000 1.062 125 S CB -0.421 62.861 63.200 0.136 0.000 0.931 125 S HN 0.285 nan 8.310 nan 0.000 0.440 126 M N 0.937 120.527 119.600 -0.017 0.000 2.110 126 M HA -0.241 4.237 4.480 -0.002 0.000 0.257 126 M C 2.268 178.524 176.300 -0.074 0.000 1.071 126 M CA 1.935 57.189 55.300 -0.077 0.000 1.096 126 M CB -0.536 31.967 32.600 -0.163 0.000 1.300 126 M HN 0.395 nan 8.290 nan 0.000 0.411 127 A N -0.655 122.119 122.820 -0.076 0.000 1.971 127 A HA -0.280 4.039 4.320 -0.002 0.000 0.222 127 A C 2.170 179.728 177.584 -0.043 0.000 1.182 127 A CA 2.787 54.782 52.037 -0.069 0.000 0.649 127 A CB -1.499 17.457 19.000 -0.074 0.000 0.818 127 A HN 0.706 nan 8.150 nan 0.000 0.458 128 T N -3.468 111.075 114.554 -0.019 0.000 2.901 128 T HA -0.008 4.341 4.350 -0.002 0.000 0.252 128 T C 1.624 176.322 174.700 -0.003 0.000 1.035 128 T CA 1.238 63.341 62.100 0.005 0.000 1.142 128 T CB -0.681 68.216 68.868 0.049 0.000 0.869 128 T HN 0.123 nan 8.240 nan 0.000 0.442 129 V N 1.742 121.654 119.914 -0.003 0.000 2.828 129 V HA 0.108 4.227 4.120 -0.002 0.000 0.260 129 V C 2.427 178.510 176.094 -0.019 0.000 1.101 129 V CA 1.595 63.893 62.300 -0.002 0.000 1.123 129 V CB -1.503 30.325 31.823 0.007 0.000 0.704 129 V HN 0.988 nan 8.190 nan 0.000 0.493 130 G N 0.021 108.798 108.800 -0.037 0.000 2.176 130 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.232 130 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.232 130 G C 0.272 175.133 174.900 -0.066 0.000 0.986 130 G CA 0.251 45.320 45.100 -0.052 0.000 0.643 130 G HN 0.674 nan 8.290 nan 0.000 0.522 131 Q N 1.840 121.596 119.800 -0.074 0.000 2.325 131 Q HA 0.578 4.917 4.340 -0.002 0.000 0.256 131 Q C 0.766 176.654 176.000 -0.186 0.000 1.142 131 Q CA 0.672 56.410 55.803 -0.109 0.000 0.902 131 Q CB 0.347 29.027 28.738 -0.097 0.000 1.350 131 Q HN 0.556 nan 8.270 nan 0.000 0.449 132 S N 3.104 118.693 115.700 -0.184 0.000 2.550 132 S HA 0.447 4.916 4.470 -0.002 0.000 0.285 132 S C -0.548 173.727 174.600 -0.542 0.000 1.326 132 S CA 0.494 58.534 58.200 -0.266 0.000 1.037 132 S CB -0.096 62.996 63.200 -0.180 0.000 0.838 132 S HN 1.074 nan 8.310 nan 0.000 0.519 133 A N 2.659 125.083 122.820 -0.661 0.000 2.452 133 A HA 0.605 4.924 4.320 -0.002 0.000 0.294 133 A C -0.959 176.428 177.584 -0.329 0.000 1.010 133 A CA -0.750 50.852 52.037 -0.725 0.000 0.613 133 A CB 0.813 19.526 19.000 -0.479 0.000 1.363 133 A HN 0.768 nan 8.150 nan 0.000 0.463 134 T N 0.455 114.915 114.554 -0.158 0.000 3.071 134 T HA 0.620 4.969 4.350 -0.002 0.000 0.311 134 T C -0.043 174.431 174.700 -0.377 0.000 1.042 134 T CA 0.128 62.082 62.100 -0.244 0.000 1.028 134 T CB 1.721 70.427 68.868 -0.270 0.000 1.068 134 T HN 1.636 nan 8.240 nan 0.000 0.451 135 G N 1.810 110.351 108.800 -0.432 0.000 2.325 135 G HA2 0.559 4.518 3.960 -0.002 0.000 0.298 135 G HA3 0.559 4.518 3.960 -0.002 0.000 0.298 135 G C -1.380 173.303 174.900 -0.362 0.000 1.134 135 G CA -0.229 44.653 45.100 -0.363 0.000 0.876 135 G HN 0.573 nan 8.290 nan 0.000 0.452 136 Y N 1.304 121.776 120.300 0.287 0.000 2.328 136 Y HA 0.652 5.200 4.550 -0.003 0.000 0.336 136 Y C 0.775 176.998 175.900 0.538 0.000 0.960 136 Y CA -0.314 57.966 58.100 0.299 0.000 1.134 136 Y CB 2.336 40.982 38.460 0.311 0.000 1.166 136 Y HN 0.830 nan 8.280 nan 0.000 0.464 137 G N 2.149 111.296 108.800 0.578 0.000 2.682 137 G HA2 0.653 4.611 3.960 -0.002 0.000 0.303 137 G HA3 0.653 4.611 3.960 -0.002 0.000 0.303 137 G C -1.988 173.045 174.900 0.222 0.000 1.341 137 G CA -1.042 44.328 45.100 0.451 0.000 0.784 137 G HN 0.419 nan 8.290 nan 0.000 0.497 138 L N 0.373 121.608 121.223 0.020 0.000 2.325 138 L HA 0.433 4.772 4.340 -0.002 0.000 0.278 138 L C -0.357 176.287 176.870 -0.377 0.000 1.023 138 L CA -1.022 53.714 54.840 -0.174 0.000 0.811 138 L CB 2.000 43.843 42.059 -0.359 0.000 1.249 138 L HN 0.460 nan 8.230 nan 0.000 0.431 139 N N 1.807 120.419 118.700 -0.147 0.000 3.034 139 N HA 0.134 4.872 4.740 -0.002 0.000 0.265 139 N C -0.994 174.510 175.510 -0.009 0.000 1.166 139 N CA -0.276 52.778 53.050 0.006 0.000 1.081 139 N CB -0.181 38.306 38.487 0.000 0.000 1.378 139 N HN 0.213 nan 8.380 nan 0.000 0.520 140 Y N 0.372 120.827 120.300 0.258 0.000 2.511 140 Y HA 0.022 4.570 4.550 -0.003 0.000 0.332 140 Y C 1.816 177.879 175.900 0.271 0.000 1.177 140 Y CA 0.034 58.258 58.100 0.207 0.000 1.422 140 Y CB 0.741 39.306 38.460 0.174 0.000 1.271 140 Y HN 0.463 nan 8.280 nan 0.000 0.550 141 Q N 1.672 121.548 119.800 0.127 0.000 2.354 141 Q HA -0.015 4.323 4.340 -0.002 0.000 0.203 141 Q C -0.231 175.616 176.000 -0.256 0.000 0.933 141 Q CA 0.960 56.574 55.803 -0.315 0.000 0.901 141 Q CB 0.219 28.540 28.738 -0.695 0.000 1.007 141 Q HN 0.929 nan 8.270 nan 0.000 0.495 142 Y N -1.152 119.318 120.300 0.284 0.000 2.738 142 Y HA 0.298 4.846 4.550 -0.003 0.000 0.249 142 Y C 1.043 177.045 175.900 0.169 0.000 1.153 142 Y CA -0.585 57.649 58.100 0.222 0.000 1.165 142 Y CB 0.802 39.343 38.460 0.135 0.000 1.235 142 Y HN 0.187 nan 8.280 nan 0.000 0.559 143 G N 1.321 110.305 108.800 0.307 0.000 2.551 143 G HA2 -0.362 3.597 3.960 -0.002 0.000 0.383 143 G HA3 -0.362 3.597 3.960 -0.002 0.000 0.383 143 G C 1.046 175.903 174.900 -0.071 0.000 1.370 143 G CA 0.957 46.077 45.100 0.033 0.000 0.940 143 G HN 0.317 nan 8.290 nan 0.000 0.524 144 L N -0.721 120.403 121.223 -0.166 0.000 1.971 144 L HA 0.361 4.700 4.340 -0.002 0.000 0.208 144 L C 1.333 178.251 176.870 0.081 0.000 1.083 144 L CA 2.238 57.000 54.840 -0.130 0.000 0.753 144 L CB -0.387 41.466 42.059 -0.343 0.000 0.893 144 L HN 0.838 nan 8.230 nan 0.000 0.436 145 F N -3.367 116.585 119.950 0.005 0.000 2.900 145 F HA 0.385 4.910 4.527 -0.003 0.000 0.321 145 F C -0.652 175.146 175.800 -0.003 0.000 1.160 145 F CA -1.581 56.422 58.000 0.005 0.000 0.890 145 F CB 1.021 40.015 39.000 -0.010 0.000 1.334 145 F HN -0.250 nan 8.300 nan 0.000 0.459 146 R N 2.347 123.056 120.500 0.348 0.000 2.278 146 R HA 0.302 4.640 4.340 -0.002 0.000 0.322 146 R C -0.291 176.173 176.300 0.273 0.000 1.058 146 R CA -0.482 55.732 56.100 0.190 0.000 0.991 146 R CB 0.810 31.167 30.300 0.096 0.000 1.140 146 R HN 0.893 nan 8.270 nan 0.000 0.518 147 Q N 2.407 122.394 119.800 0.311 0.000 2.414 147 Q HA 0.026 4.365 4.340 -0.002 0.000 0.288 147 Q C -1.133 174.791 176.000 -0.127 0.000 1.086 147 Q CA 0.865 56.782 55.803 0.190 0.000 0.943 147 Q CB 0.586 29.396 28.738 0.120 0.000 1.282 147 Q HN 0.745 nan 8.270 nan 0.000 0.438 148 S N 2.151 117.657 115.700 -0.324 0.000 2.606 148 S HA 0.439 4.908 4.470 -0.002 0.000 0.290 148 S C -1.306 173.077 174.600 -0.362 0.000 1.103 148 S CA -0.976 56.995 58.200 -0.382 0.000 0.870 148 S CB 0.202 63.313 63.200 -0.147 0.000 1.077 148 S HN 0.481 nan 8.310 nan 0.000 0.448 149 F N 1.110 121.039 119.950 -0.035 0.000 2.422 149 F HA 0.776 5.301 4.527 -0.003 0.000 0.333 149 F C -0.001 175.778 175.800 -0.035 0.000 1.095 149 F CA -1.130 56.835 58.000 -0.058 0.000 1.038 149 F CB 2.077 41.024 39.000 -0.089 0.000 1.156 149 F HN 0.467 nan 8.300 nan 0.000 0.483 150 V N 2.545 122.565 119.914 0.177 0.000 2.462 150 V HA 0.206 4.325 4.120 -0.002 0.000 0.288 150 V C -0.726 175.418 176.094 0.083 0.000 1.020 150 V CA -0.908 61.447 62.300 0.091 0.000 0.857 150 V CB 1.174 33.020 31.823 0.039 0.000 1.013 150 V HN 0.914 nan 8.190 nan 0.000 0.431 151 D N 4.349 124.797 120.400 0.081 0.000 2.775 151 D HA -0.175 4.464 4.640 -0.002 0.000 0.235 151 D C 1.198 177.579 176.300 0.136 0.000 1.120 151 D CA 1.200 55.253 54.000 0.089 0.000 0.708 151 D CB -0.898 39.948 40.800 0.077 0.000 1.084 151 D HN 1.370 nan 8.370 nan 0.000 0.434 152 G N -0.098 108.742 108.800 0.067 0.000 2.155 152 G HA2 -0.362 3.597 3.960 -0.002 0.000 0.257 152 G HA3 -0.362 3.597 3.960 -0.002 0.000 0.257 152 G C 0.276 175.217 174.900 0.068 0.000 0.983 152 G CA 1.113 46.197 45.100 -0.027 0.000 0.676 152 G HN 0.477 nan 8.290 nan 0.000 0.528 153 K N -0.298 120.179 120.400 0.128 0.000 2.208 153 K HA 0.484 4.803 4.320 -0.002 0.000 0.247 153 K C 0.158 176.869 176.600 0.185 0.000 0.953 153 K CA -0.754 55.601 56.287 0.112 0.000 0.837 153 K CB 1.567 34.062 32.500 -0.007 0.000 1.131 153 K HN 0.205 nan 8.250 nan 0.000 0.431 154 Q N 1.963 121.846 119.800 0.138 0.000 2.296 154 Q HA 0.195 4.534 4.340 -0.002 0.000 0.262 154 Q C -1.222 174.751 176.000 -0.045 0.000 0.981 154 Q CA -0.353 55.531 55.803 0.136 0.000 0.905 154 Q CB 0.808 29.586 28.738 0.067 0.000 1.186 154 Q HN 0.263 nan 8.270 nan 0.000 0.399 155 V N 4.853 124.718 119.914 -0.082 0.000 2.378 155 V HA 0.252 4.370 4.120 -0.002 0.000 0.288 155 V C -0.764 175.184 176.094 -0.242 0.000 1.016 155 V CA -0.742 61.472 62.300 -0.144 0.000 0.840 155 V CB 1.557 33.333 31.823 -0.079 0.000 0.994 155 V HN 0.821 nan 8.190 nan 0.000 0.431 156 E N 3.308 123.274 120.200 -0.390 0.000 2.200 156 E HA 0.725 5.073 4.350 -0.002 0.000 0.283 156 E C -0.047 176.439 176.600 -0.190 0.000 1.015 156 E CA -0.062 56.008 56.400 -0.550 0.000 0.819 156 E CB 1.711 30.868 29.700 -0.904 0.000 1.081 156 E HN 0.878 nan 8.360 nan 0.000 0.397 157 A N 4.016 126.826 122.820 -0.017 0.000 2.532 157 A HA 0.661 4.980 4.320 -0.002 0.000 0.290 157 A C -2.652 174.962 177.584 0.049 0.000 1.143 157 A CA -1.974 50.062 52.037 -0.002 0.000 0.728 157 A CB 1.069 20.064 19.000 -0.009 0.000 1.317 157 A HN 0.394 nan 8.150 nan 0.000 0.414 158 P HA 0.086 nan 4.420 nan 0.000 0.264 158 P C -0.923 176.424 177.300 0.078 0.000 1.229 158 P CA 0.433 63.467 63.100 -0.110 0.000 0.780 158 P CB 0.297 31.742 31.700 -0.426 0.000 0.808 159 D N 3.530 124.042 120.400 0.187 0.000 2.688 159 D HA -0.033 4.606 4.640 -0.002 0.000 0.228 159 D C -0.242 176.248 176.300 0.317 0.000 1.116 159 D CA -0.123 53.989 54.000 0.187 0.000 1.023 159 D CB -0.629 40.241 40.800 0.116 0.000 1.100 159 D HN 0.226 nan 8.370 nan 0.000 0.487 160 D N 1.816 122.397 120.400 0.300 0.000 2.458 160 D HA -0.124 4.515 4.640 -0.002 0.000 0.243 160 D C 0.586 176.966 176.300 0.133 0.000 1.146 160 D CA -0.140 54.031 54.000 0.285 0.000 0.877 160 D CB 0.367 41.288 40.800 0.201 0.000 1.176 160 D HN 0.500 nan 8.370 nan 0.000 0.461 161 W N 3.540 124.765 121.300 -0.124 0.000 2.499 161 W HA 0.195 4.854 4.660 -0.002 0.000 0.362 161 W C -0.383 176.092 176.519 -0.074 0.000 0.945 161 W CA -0.653 56.585 57.345 -0.178 0.000 1.721 161 W CB -1.676 27.722 29.460 -0.105 0.000 1.156 161 W HN 0.667 nan 8.180 nan 0.000 0.547 162 H N 1.323 120.299 119.070 -0.157 0.000 2.770 162 H HA -0.284 4.271 4.556 -0.002 0.000 0.309 162 H C 1.956 177.075 175.328 -0.349 0.000 1.206 162 H CA 0.755 56.708 56.048 -0.159 0.000 1.147 162 H CB -1.119 28.684 29.762 0.068 0.000 1.422 162 H HN 0.348 nan 8.280 nan 0.000 0.420 163 R N -0.348 119.583 120.500 -0.949 0.000 2.115 163 R HA -0.230 4.109 4.340 -0.002 0.000 0.239 163 R C 2.328 178.471 176.300 -0.261 0.000 1.133 163 R CA 2.007 57.410 56.100 -1.162 0.000 0.935 163 R CB -0.779 28.665 30.300 -1.428 0.000 0.853 163 R HN 0.241 nan 8.270 nan 0.000 0.433 164 S N 0.873 116.374 115.700 -0.331 0.000 2.408 164 S HA -0.193 4.276 4.470 -0.002 0.000 0.241 164 S C 1.204 175.838 174.600 0.057 0.000 1.080 164 S CA 1.970 60.047 58.200 -0.205 0.000 1.109 164 S CB -0.377 62.720 63.200 -0.172 0.000 0.966 164 S HN 0.609 nan 8.310 nan 0.000 0.449 165 N N -0.446 118.332 118.700 0.129 0.000 2.203 165 N HA 0.106 4.845 4.740 -0.002 0.000 0.207 165 N C -0.469 175.217 175.510 0.293 0.000 1.130 165 N CA -0.153 53.014 53.050 0.195 0.000 0.861 165 N CB -0.067 38.493 38.487 0.122 0.000 1.005 165 N HN 0.573 nan 8.380 nan 0.000 0.507 166 Y N 4.860 125.312 120.300 0.253 0.000 2.804 166 Y HA -0.026 4.522 4.550 -0.002 0.000 0.338 166 Y C -0.799 175.220 175.900 0.199 0.000 1.252 166 Y CA -1.066 57.210 58.100 0.294 0.000 1.576 166 Y CB 0.868 39.473 38.460 0.242 0.000 1.223 166 Y HN 0.099 nan 8.280 nan 0.000 0.536 167 P HA -0.254 nan 4.420 nan 0.000 0.217 167 P C 0.574 177.560 177.300 -0.523 0.000 1.151 167 P CA 1.953 64.728 63.100 -0.541 0.000 0.849 167 P CB -0.087 31.063 31.700 -0.917 0.000 0.787 168 W N -1.489 119.497 121.300 -0.523 0.000 2.905 168 W HA 0.232 4.891 4.660 -0.002 0.000 0.251 168 W C 1.461 178.016 176.519 0.059 0.000 1.305 168 W CA -0.659 56.555 57.345 -0.220 0.000 1.465 168 W CB -0.715 28.625 29.460 -0.201 0.000 1.122 168 W HN -0.197 nan 8.180 nan 0.000 0.659 169 F N 0.968 121.151 119.950 0.389 0.000 2.514 169 F HA 0.185 4.710 4.527 -0.003 0.000 0.309 169 F C 1.181 177.120 175.800 0.231 0.000 1.279 169 F CA 0.360 58.604 58.000 0.407 0.000 1.304 169 F CB 0.377 39.712 39.000 0.559 0.000 1.223 169 F HN -0.361 nan 8.300 nan 0.000 0.563 170 R N 0.345 121.128 120.500 0.471 0.000 2.644 170 R HA 0.188 4.527 4.340 -0.002 0.000 0.257 170 R C -1.730 174.528 176.300 -0.069 0.000 1.082 170 R CA -0.840 55.341 56.100 0.135 0.000 0.927 170 R CB 1.933 32.289 30.300 0.095 0.000 1.258 170 R HN 0.720 nan 8.270 nan 0.000 0.459 171 H N 1.924 120.761 119.070 -0.388 0.000 2.806 171 H HA 0.327 4.881 4.556 -0.002 0.000 0.367 171 H C -1.538 173.556 175.328 -0.389 0.000 1.136 171 H CA -0.646 55.016 56.048 -0.642 0.000 1.178 171 H CB 2.333 31.340 29.762 -1.258 0.000 1.718 171 H HN 0.550 nan 8.280 nan 0.000 0.540 172 N N 3.501 121.697 118.700 -0.840 0.000 2.617 172 N HA 0.015 4.754 4.740 -0.002 0.000 0.263 172 N C 0.747 175.820 175.510 -0.727 0.000 1.074 172 N CA -0.379 52.295 53.050 -0.627 0.000 0.841 172 N CB 0.909 39.208 38.487 -0.314 0.000 1.221 172 N HN 0.820 nan 8.380 nan 0.000 0.529 173 E N 2.128 121.849 120.200 -0.798 0.000 2.253 173 E HA -0.290 4.059 4.350 -0.002 0.000 0.202 173 E C 0.967 177.445 176.600 -0.202 0.000 1.014 173 E CA 1.566 57.711 56.400 -0.425 0.000 0.823 173 E CB -0.159 29.410 29.700 -0.219 0.000 0.736 173 E HN 0.503 nan 8.360 nan 0.000 0.478 174 A N 0.762 123.465 122.820 -0.195 0.000 2.239 174 A HA 0.069 4.388 4.320 -0.002 0.000 0.209 174 A C 1.862 179.403 177.584 -0.072 0.000 1.171 174 A CA 0.484 52.452 52.037 -0.114 0.000 0.768 174 A CB -0.245 18.689 19.000 -0.110 0.000 0.790 174 A HN 0.313 nan 8.150 nan 0.000 0.478 175 L N -0.249 120.937 121.223 -0.061 0.000 2.769 175 L HA 0.154 4.492 4.340 -0.002 0.000 0.240 175 L C -0.500 176.456 176.870 0.144 0.000 1.163 175 L CA -0.508 54.359 54.840 0.045 0.000 0.962 175 L CB 0.067 42.163 42.059 0.063 0.000 1.258 175 L HN 0.112 nan 8.230 nan 0.000 0.513 176 D N 0.730 121.182 120.400 0.087 0.000 2.400 176 D HA 0.191 4.829 4.640 -0.002 0.000 0.238 176 D C -0.138 176.173 176.300 0.019 0.000 1.157 176 D CA 0.443 54.515 54.000 0.120 0.000 0.889 176 D CB 2.153 43.003 40.800 0.085 0.000 1.199 176 D HN -0.244 nan 8.370 nan 0.000 0.436 177 V N 2.851 122.741 119.914 -0.039 0.000 2.488 177 V HA 0.087 4.205 4.120 -0.002 0.000 0.293 177 V C -0.120 175.914 176.094 -0.099 0.000 1.027 177 V CA -0.943 61.270 62.300 -0.145 0.000 0.862 177 V CB 1.561 33.159 31.823 -0.376 0.000 1.008 177 V HN 0.326 nan 8.190 nan 0.000 0.428 178 Q N 3.242 122.993 119.800 -0.082 0.000 2.313 178 Q HA 0.465 4.804 4.340 -0.002 0.000 0.266 178 Q C -0.438 175.520 176.000 -0.070 0.000 0.989 178 Q CA -0.055 55.701 55.803 -0.078 0.000 0.890 178 Q CB 2.227 30.909 28.738 -0.093 0.000 1.200 178 Q HN 0.523 nan 8.270 nan 0.000 0.396 179 V N 1.053 120.946 119.914 -0.036 0.000 2.715 179 V HA 0.692 4.810 4.120 -0.002 0.000 0.310 179 V C 0.347 176.446 176.094 0.009 0.000 1.054 179 V CA -0.824 61.494 62.300 0.030 0.000 0.928 179 V CB 2.144 34.059 31.823 0.153 0.000 1.007 179 V HN 0.877 nan 8.190 nan 0.000 0.437 180 G N 2.633 111.470 108.800 0.062 0.000 2.388 180 G HA2 0.725 4.683 3.960 -0.002 0.000 0.330 180 G HA3 0.725 4.683 3.960 -0.002 0.000 0.330 180 G C -1.457 173.583 174.900 0.232 0.000 1.142 180 G CA -0.315 44.731 45.100 -0.090 0.000 0.908 180 G HN 0.480 nan 8.290 nan 0.000 0.473 181 I N 0.230 120.940 120.570 0.234 0.000 2.994 181 I HA 0.738 4.907 4.170 -0.002 0.000 0.306 181 I C 0.847 177.169 176.117 0.341 0.000 1.195 181 I CA 0.931 62.449 61.300 0.364 0.000 1.001 181 I CB 1.988 40.213 38.000 0.375 0.000 1.244 181 I HN 1.250 nan 8.210 nan 0.000 0.437 182 G N 3.487 112.465 108.800 0.297 0.000 2.561 182 G HA2 0.211 4.169 3.960 -0.002 0.000 0.289 182 G HA3 0.211 4.169 3.960 -0.002 0.000 0.289 182 G C 0.791 175.891 174.900 0.333 0.000 1.169 182 G CA 0.164 45.406 45.100 0.237 0.000 0.980 182 G HN 2.248 nan 8.290 nan 0.000 0.550 183 G N -1.754 107.193 108.800 0.245 0.000 2.682 183 G HA2 0.411 4.369 3.960 -0.002 0.000 0.256 183 G HA3 0.411 4.369 3.960 -0.002 0.000 0.256 183 G C 0.152 175.213 174.900 0.268 0.000 1.333 183 G CA 2.041 47.291 45.100 0.249 0.000 0.904 183 G HN 2.786 nan 8.290 nan 0.000 0.569 184 K N -1.991 118.575 120.400 0.276 0.000 2.444 184 K HA 0.871 5.190 4.320 -0.002 0.000 0.252 184 K C -0.438 176.334 176.600 0.285 0.000 0.993 184 K CA 0.040 56.454 56.287 0.212 0.000 0.847 184 K CB 2.095 34.671 32.500 0.127 0.000 1.340 184 K HN 1.692 nan 8.250 nan 0.000 0.446 185 V N 2.894 122.907 119.914 0.165 0.000 2.370 185 V HA 0.404 4.523 4.120 -0.002 0.000 0.279 185 V C 0.914 177.072 176.094 0.106 0.000 1.029 185 V CA -0.306 62.084 62.300 0.151 0.000 0.870 185 V CB 1.162 33.005 31.823 0.033 0.000 0.984 185 V HN 1.089 nan 8.190 nan 0.000 0.451 186 T N 2.012 116.633 114.554 0.113 0.000 2.906 186 T HA 0.056 4.405 4.350 -0.002 0.000 0.320 186 T C 1.284 176.016 174.700 0.054 0.000 1.088 186 T CA 0.079 62.225 62.100 0.076 0.000 1.120 186 T CB 0.361 69.271 68.868 0.070 0.000 1.000 186 T HN 0.855 nan 8.240 nan 0.000 0.550 187 K N 1.242 121.666 120.400 0.041 0.000 2.173 187 K HA -0.222 4.097 4.320 -0.002 0.000 0.207 187 K C 1.308 177.924 176.600 0.027 0.000 1.046 187 K CA 1.989 58.293 56.287 0.029 0.000 0.929 187 K CB -0.383 32.131 32.500 0.024 0.000 0.720 187 K HN 0.802 nan 8.250 nan 0.000 0.453 188 D N -1.051 119.368 120.400 0.033 0.000 2.339 188 D HA 0.065 4.704 4.640 -0.002 0.000 0.217 188 D C 1.180 177.503 176.300 0.037 0.000 1.050 188 D CA 0.673 54.692 54.000 0.031 0.000 0.856 188 D CB 0.702 41.520 40.800 0.030 0.000 0.922 188 D HN 0.494 nan 8.370 nan 0.000 0.518 189 G N 0.759 109.586 108.800 0.045 0.000 2.278 189 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.210 189 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.210 189 G C 0.594 175.544 174.900 0.083 0.000 1.000 189 G CA -0.185 44.946 45.100 0.052 0.000 0.635 189 G HN 0.380 nan 8.290 nan 0.000 0.495 190 R N -1.040 119.517 120.500 0.095 0.000 2.919 190 R HA 0.386 4.725 4.340 -0.002 0.000 0.284 190 R C -0.171 176.269 176.300 0.233 0.000 1.104 190 R CA 0.579 56.760 56.100 0.136 0.000 1.207 190 R CB 0.266 30.626 30.300 0.099 0.000 1.162 190 R HN 0.356 nan 8.270 nan 0.000 0.561 191 W N 0.757 122.068 121.300 0.019 0.000 2.884 191 W HA 0.259 4.919 4.660 -0.002 0.000 0.336 191 W C -1.451 175.087 176.519 0.032 0.000 1.038 191 W CA -0.929 56.432 57.345 0.026 0.000 1.247 191 W CB 0.956 30.432 29.460 0.028 0.000 1.351 191 W HN 0.504 nan 8.180 nan 0.000 0.446 192 E N 6.901 127.168 120.200 0.113 0.000 2.167 192 E HA 0.270 4.619 4.350 -0.002 0.000 0.247 192 E C -2.203 174.311 176.600 -0.144 0.000 0.961 192 E CA -1.827 54.520 56.400 -0.087 0.000 0.797 192 E CB 1.089 30.799 29.700 0.017 0.000 1.182 192 E HN 0.024 nan 8.360 nan 0.000 0.437 193 P HA -0.104 nan 4.420 nan 0.000 0.266 193 P C 0.250 177.528 177.300 -0.037 0.000 1.195 193 P CA 0.234 63.167 63.100 -0.279 0.000 0.768 193 P CB 0.609 31.971 31.700 -0.562 0.000 0.838 194 E N 1.907 122.171 120.200 0.107 0.000 2.442 194 E HA 0.070 4.418 4.350 -0.002 0.000 0.195 194 E C -0.209 176.534 176.600 0.238 0.000 1.030 194 E CA 0.252 56.733 56.400 0.134 0.000 0.869 194 E CB 0.018 29.797 29.700 0.133 0.000 0.857 194 E HN 0.280 nan 8.360 nan 0.000 0.505 195 F N 1.135 121.103 119.950 0.030 0.000 2.581 195 F HA 0.405 4.930 4.527 -0.003 0.000 0.311 195 F C -1.463 174.373 175.800 0.060 0.000 1.113 195 F CA -0.883 57.153 58.000 0.060 0.000 0.935 195 F CB 2.463 41.503 39.000 0.066 0.000 1.232 195 F HN -0.285 nan 8.300 nan 0.000 0.445 196 T N 7.061 121.318 114.554 -0.496 0.000 2.809 196 T HA 0.594 4.942 4.350 -0.002 0.000 0.284 196 T C -0.512 173.835 174.700 -0.588 0.000 0.992 196 T CA -0.286 61.563 62.100 -0.419 0.000 0.957 196 T CB 0.986 69.709 68.868 -0.242 0.000 0.942 196 T HN 0.372 nan 8.240 nan 0.000 0.439 197 I N 3.029 123.362 120.570 -0.394 0.000 2.321 197 I HA 0.294 4.463 4.170 -0.002 0.000 0.291 197 I C 0.888 176.928 176.117 -0.129 0.000 0.998 197 I CA -0.487 60.645 61.300 -0.280 0.000 1.227 197 I CB 1.606 39.472 38.000 -0.224 0.000 1.368 197 I HN 0.563 nan 8.210 nan 0.000 0.466 198 T N 4.749 119.223 114.554 -0.133 0.000 2.875 198 T HA 0.470 4.819 4.350 -0.002 0.000 0.307 198 T C 0.364 175.123 174.700 0.099 0.000 1.013 198 T CA -0.690 61.384 62.100 -0.044 0.000 0.970 198 T CB -0.182 68.622 68.868 -0.107 0.000 0.986 198 T HN 0.715 nan 8.240 nan 0.000 0.536 199 G N 3.917 112.864 108.800 0.245 0.000 2.403 199 G HA2 0.430 4.388 3.960 -0.002 0.000 0.259 199 G HA3 0.430 4.388 3.960 -0.002 0.000 0.259 199 G C -0.259 174.890 174.900 0.416 0.000 1.244 199 G CA -0.599 44.791 45.100 0.483 0.000 0.849 199 G HN 0.815 nan 8.290 nan 0.000 0.532 200 Q N -0.225 119.898 119.800 0.538 0.000 2.193 200 Q HA 0.579 4.917 4.340 -0.002 0.000 0.246 200 Q C -0.214 176.189 176.000 0.672 0.000 0.959 200 Q CA -0.738 55.380 55.803 0.526 0.000 0.904 200 Q CB 2.090 31.065 28.738 0.395 0.000 1.238 200 Q HN 0.594 nan 8.270 nan 0.000 0.469 201 A N 1.534 124.611 122.820 0.427 0.000 2.399 201 A HA 0.396 4.715 4.320 -0.002 0.000 0.327 201 A C -1.739 175.794 177.584 -0.084 0.000 1.367 201 A CA -0.536 51.560 52.037 0.098 0.000 0.842 201 A CB -0.025 19.029 19.000 0.090 0.000 1.142 201 A HN 0.607 nan 8.150 nan 0.000 0.495 202 W N 2.051 123.239 121.300 -0.186 0.000 2.308 202 W HA 0.447 5.105 4.660 -0.003 0.000 0.311 202 W C -0.639 175.833 176.519 -0.078 0.000 1.088 202 W CA -0.228 56.946 57.345 -0.285 0.000 1.309 202 W CB 1.008 29.998 29.460 -0.784 0.000 1.229 202 W HN 0.508 nan 8.180 nan 0.000 0.427 203 D N 2.507 123.025 120.400 0.196 0.000 2.225 203 D HA 0.444 5.082 4.640 -0.002 0.000 0.249 203 D C -0.973 175.587 176.300 0.435 0.000 1.052 203 D CA -0.346 53.782 54.000 0.213 0.000 0.909 203 D CB 1.774 42.617 40.800 0.072 0.000 1.186 203 D HN 0.054 nan 8.370 nan 0.000 0.431 204 L N 3.366 124.727 121.223 0.229 0.000 2.406 204 L HA 0.334 4.673 4.340 -0.002 0.000 0.272 204 L C -2.445 174.432 176.870 0.012 0.000 0.980 204 L CA -2.038 52.900 54.840 0.162 0.000 0.831 204 L CB 2.257 44.374 42.059 0.095 0.000 1.253 204 L HN 0.114 nan 8.230 nan 0.000 0.406 205 P HA 0.080 nan 4.420 nan 0.000 0.270 205 P C -0.663 176.535 177.300 -0.170 0.000 1.242 205 P CA -0.041 63.012 63.100 -0.079 0.000 0.768 205 P CB 0.797 32.468 31.700 -0.048 0.000 0.820 206 V N 5.761 125.585 119.914 -0.151 0.000 2.270 206 V HA 0.075 4.194 4.120 -0.002 0.000 0.263 206 V C 0.908 176.918 176.094 -0.140 0.000 1.066 206 V CA -0.744 61.457 62.300 -0.165 0.000 0.857 206 V CB 1.116 32.842 31.823 -0.163 0.000 1.099 206 V HN 0.392 nan 8.190 nan 0.000 0.476 207 V N 5.219 125.032 119.914 -0.167 0.000 2.583 207 V HA 0.765 4.884 4.120 -0.002 0.000 0.287 207 V C 0.952 176.986 176.094 -0.100 0.000 1.051 207 V CA 0.305 62.522 62.300 -0.140 0.000 1.010 207 V CB 1.225 32.931 31.823 -0.195 0.000 0.988 207 V HN 0.776 nan 8.190 nan 0.000 0.478 208 G N 4.321 113.081 108.800 -0.068 0.000 2.562 208 G HA2 0.281 4.240 3.960 -0.002 0.000 0.275 208 G HA3 0.281 4.240 3.960 -0.002 0.000 0.275 208 G C -1.022 173.886 174.900 0.013 0.000 1.196 208 G CA -0.561 44.524 45.100 -0.024 0.000 0.908 208 G HN 0.869 nan 8.290 nan 0.000 0.524 209 Y N 1.807 122.049 120.300 -0.098 0.000 2.531 209 Y HA 0.195 4.743 4.550 -0.002 0.000 0.347 209 Y C 1.298 177.146 175.900 -0.087 0.000 1.024 209 Y CA -0.669 57.369 58.100 -0.104 0.000 1.306 209 Y CB 0.158 38.547 38.460 -0.117 0.000 1.149 209 Y HN 0.567 nan 8.280 nan 0.000 0.527 210 R N 3.187 123.408 120.500 -0.465 0.000 3.358 210 R HA -0.284 4.055 4.340 -0.002 0.000 0.248 210 R C -0.010 176.151 176.300 -0.231 0.000 0.981 210 R CA 1.099 56.947 56.100 -0.419 0.000 0.662 210 R CB -2.271 27.612 30.300 -0.694 0.000 1.037 210 R HN 0.860 nan 8.270 nan 0.000 0.460 211 N N -2.118 116.499 118.700 -0.139 0.000 2.145 211 N HA 0.075 4.813 4.740 -0.002 0.000 0.219 211 N C 1.121 176.588 175.510 -0.073 0.000 1.266 211 N CA 0.772 53.768 53.050 -0.090 0.000 0.902 211 N CB 0.522 38.972 38.487 -0.062 0.000 1.078 211 N HN 0.305 nan 8.380 nan 0.000 0.513 212 G N 0.248 109.007 108.800 -0.068 0.000 2.253 212 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.251 212 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.251 212 G C -0.090 174.790 174.900 -0.032 0.000 0.998 212 G CA 0.362 45.436 45.100 -0.043 0.000 0.621 212 G HN 0.316 nan 8.290 nan 0.000 0.524 213 V N 1.097 120.984 119.914 -0.045 0.000 2.872 213 V HA 0.491 4.610 4.120 -0.002 0.000 0.307 213 V C 0.780 176.874 176.094 0.000 0.000 1.072 213 V CA 0.834 63.122 62.300 -0.020 0.000 1.148 213 V CB 1.415 33.215 31.823 -0.039 0.000 0.954 213 V HN 1.675 nan 8.190 nan 0.000 0.490 214 A N 4.608 127.461 122.820 0.054 0.000 2.466 214 A HA 0.670 4.989 4.320 -0.002 0.000 0.284 214 A C -0.780 176.819 177.584 0.025 0.000 1.049 214 A CA -0.669 51.379 52.037 0.019 0.000 0.760 214 A CB 1.189 20.205 19.000 0.027 0.000 1.274 214 A HN 0.776 nan 8.150 nan 0.000 0.412 215 Q N 2.925 122.704 119.800 -0.035 0.000 2.387 215 Q HA 0.631 4.970 4.340 -0.002 0.000 0.273 215 Q C -2.580 173.364 176.000 -0.094 0.000 1.089 215 Q CA -2.069 53.700 55.803 -0.056 0.000 0.824 215 Q CB 3.066 31.753 28.738 -0.086 0.000 1.367 215 Q HN 0.591 nan 8.270 nan 0.000 0.443 216 P HA 0.283 nan 4.420 nan 0.000 0.284 216 P C -1.263 175.910 177.300 -0.210 0.000 1.292 216 P CA -0.533 62.491 63.100 -0.126 0.000 0.800 216 P CB 0.951 32.584 31.700 -0.112 0.000 1.188 217 L N 0.270 121.366 121.223 -0.210 0.000 2.529 217 L HA 0.461 4.800 4.340 -0.002 0.000 0.258 217 L C -0.338 176.396 176.870 -0.227 0.000 1.032 217 L CA -0.838 53.811 54.840 -0.319 0.000 0.899 217 L CB 0.732 42.593 42.059 -0.330 0.000 1.174 217 L HN 0.134 nan 8.230 nan 0.000 0.458 218 R N 3.870 124.175 120.500 -0.325 0.000 2.399 218 R HA 0.453 4.792 4.340 -0.002 0.000 0.324 218 R C -1.197 174.874 176.300 -0.381 0.000 1.030 218 R CA 0.359 56.230 56.100 -0.383 0.000 0.984 218 R CB -0.080 29.960 30.300 -0.433 0.000 0.961 218 R HN 0.705 nan 8.270 nan 0.000 0.433 219 L N 5.849 126.931 121.223 -0.235 0.000 2.294 219 L HA 0.401 4.740 4.340 -0.002 0.000 0.283 219 L C -0.487 176.317 176.870 -0.109 0.000 1.015 219 L CA -0.750 54.039 54.840 -0.086 0.000 0.831 219 L CB 0.971 43.130 42.059 0.166 0.000 1.217 219 L HN 0.533 nan 8.230 nan 0.000 0.420 220 W N 3.019 124.406 121.300 0.145 0.000 2.266 220 W HA 0.320 4.978 4.660 -0.003 0.000 0.317 220 W C 0.430 177.102 176.519 0.255 0.000 1.310 220 W CA -0.210 57.219 57.345 0.140 0.000 1.207 220 W CB 0.594 29.956 29.460 -0.164 0.000 1.199 220 W HN 0.438 nan 8.180 nan 0.000 0.544 221 Q N 2.964 123.117 119.800 0.587 0.000 2.339 221 Q HA 0.551 4.890 4.340 -0.002 0.000 0.268 221 Q C -0.368 175.862 176.000 0.384 0.000 1.027 221 Q CA -0.617 55.387 55.803 0.334 0.000 0.759 221 Q CB 1.160 29.889 28.738 -0.016 0.000 1.244 221 Q HN 0.613 nan 8.270 nan 0.000 0.464 222 A N 2.984 125.896 122.820 0.155 0.000 2.462 222 A HA 0.500 4.819 4.320 -0.002 0.000 0.243 222 A C 0.180 177.726 177.584 -0.064 0.000 1.076 222 A CA 0.640 52.508 52.037 -0.282 0.000 0.773 222 A CB 0.344 18.833 19.000 -0.851 0.000 1.010 222 A HN 0.825 nan 8.150 nan 0.000 0.493 223 T N -0.527 114.012 114.554 -0.025 0.000 2.681 223 T HA 0.624 4.972 4.350 -0.002 0.000 0.296 223 T C -0.979 173.758 174.700 0.061 0.000 1.157 223 T CA -0.566 61.557 62.100 0.039 0.000 1.025 223 T CB 1.242 70.147 68.868 0.062 0.000 1.441 223 T HN 0.908 nan 8.240 nan 0.000 0.504 224 H N -1.116 117.949 119.070 -0.009 0.000 2.759 224 H HA 0.716 5.270 4.556 -0.003 0.000 0.354 224 H C 0.953 176.251 175.328 -0.049 0.000 1.074 224 H CA 0.108 56.143 56.048 -0.021 0.000 1.226 224 H CB 1.972 31.766 29.762 0.052 0.000 1.648 224 H HN 0.914 nan 8.280 nan 0.000 0.529 225 A N 2.984 125.502 122.820 -0.503 0.000 2.032 225 A HA -0.148 4.171 4.320 -0.002 0.000 0.221 225 A C 0.051 177.263 177.584 -0.621 0.000 1.165 225 A CA 1.651 53.386 52.037 -0.502 0.000 0.645 225 A CB -0.384 18.304 19.000 -0.520 0.000 0.807 225 A HN 0.815 nan 8.150 nan 0.000 0.453 226 H N -2.216 117.015 119.070 0.269 0.000 2.490 226 H HA 0.231 4.786 4.556 -0.002 0.000 0.230 226 H C -2.199 173.363 175.328 0.391 0.000 1.417 226 H CA -1.002 55.242 56.048 0.327 0.000 1.449 226 H CB 0.855 30.763 29.762 0.244 0.000 1.649 226 H HN 0.225 nan 8.280 nan 0.000 0.519 227 P HA -0.138 nan 4.420 nan 0.000 0.222 227 P C 0.162 177.613 177.300 0.252 0.000 1.153 227 P CA 0.646 63.894 63.100 0.245 0.000 0.798 227 P CB 0.538 32.367 31.700 0.216 0.000 0.796 228 F N 1.979 121.995 119.950 0.110 0.000 2.411 228 F HA 0.334 4.859 4.527 -0.003 0.000 0.350 228 F C 0.203 176.061 175.800 0.097 0.000 1.114 228 F CA -1.077 56.972 58.000 0.082 0.000 1.135 228 F CB 0.472 39.488 39.000 0.027 0.000 1.120 228 F HN -0.278 nan 8.300 nan 0.000 0.495 229 D N 7.046 127.153 120.400 -0.489 0.000 2.485 229 D HA 0.045 4.684 4.640 -0.002 0.000 0.221 229 D C 1.100 177.034 176.300 -0.611 0.000 1.112 229 D CA -0.242 53.543 54.000 -0.359 0.000 0.911 229 D CB 0.883 41.576 40.800 -0.179 0.000 1.019 229 D HN 0.678 nan 8.370 nan 0.000 0.516 230 L N 3.962 124.911 121.223 -0.456 0.000 2.081 230 L HA -0.176 4.163 4.340 -0.002 0.000 0.212 230 L C 1.866 178.726 176.870 -0.018 0.000 1.080 230 L CA 2.021 56.745 54.840 -0.193 0.000 0.754 230 L CB -0.793 41.339 42.059 0.121 0.000 0.893 230 L HN 0.318 nan 8.230 nan 0.000 0.433 231 T N -0.565 113.969 114.554 -0.032 0.000 2.708 231 T HA -0.189 4.160 4.350 -0.002 0.000 0.266 231 T C 1.910 176.614 174.700 0.006 0.000 1.037 231 T CA 1.741 63.846 62.100 0.008 0.000 1.146 231 T CB -0.120 68.745 68.868 -0.007 0.000 0.865 231 T HN 0.353 nan 8.240 nan 0.000 0.435 232 K N 0.206 120.584 120.400 -0.037 0.000 2.002 232 K HA -0.059 4.260 4.320 -0.002 0.000 0.209 232 K C 2.010 178.615 176.600 0.008 0.000 1.048 232 K CA 1.368 57.633 56.287 -0.038 0.000 0.930 232 K CB -0.442 32.022 32.500 -0.060 0.000 0.714 232 K HN 0.250 nan 8.250 nan 0.000 0.438 233 F N 2.491 122.382 119.950 -0.098 0.000 2.147 233 F HA -0.253 4.273 4.527 -0.002 0.000 0.301 233 F C 1.643 177.572 175.800 0.215 0.000 1.084 233 F CA 1.449 59.519 58.000 0.116 0.000 1.268 233 F CB -0.035 38.992 39.000 0.046 0.000 1.009 233 F HN 0.081 nan 8.300 nan 0.000 0.486 234 N N 0.072 118.920 118.700 0.248 0.000 2.461 234 N HA -0.081 4.658 4.740 -0.002 0.000 0.188 234 N C 0.608 176.147 175.510 0.048 0.000 1.134 234 N CA 0.722 53.879 53.050 0.179 0.000 0.878 234 N CB -0.228 38.370 38.487 0.184 0.000 0.972 234 N HN 0.413 nan 8.380 nan 0.000 0.456 235 D N -0.707 119.678 120.400 -0.025 0.000 2.360 235 D HA 0.138 4.777 4.640 -0.002 0.000 0.210 235 D C 1.213 177.408 176.300 -0.174 0.000 1.047 235 D CA 0.298 54.253 54.000 -0.075 0.000 0.854 235 D CB 0.558 41.310 40.800 -0.080 0.000 0.936 235 D HN 0.274 nan 8.370 nan 0.000 0.514 236 G N 1.423 110.055 108.800 -0.280 0.000 2.144 236 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.218 236 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.218 236 G C -0.284 173.906 174.900 -1.183 0.000 0.988 236 G CA -0.348 44.335 45.100 -0.696 0.000 0.659 236 G HN 0.192 nan 8.290 nan 0.000 0.522 237 D N 0.773 120.778 120.400 -0.659 0.000 2.639 237 D HA 0.381 5.019 4.640 -0.002 0.000 0.233 237 D C 1.437 177.587 176.300 -0.249 0.000 1.161 237 D CA -0.459 53.265 54.000 -0.459 0.000 1.003 237 D CB -0.424 40.247 40.800 -0.215 0.000 1.034 237 D HN 0.383 nan 8.370 nan 0.000 0.514 238 F N -0.002 119.880 119.950 -0.113 0.000 2.095 238 F HA -0.226 4.299 4.527 -0.002 0.000 0.298 238 F C 2.262 178.157 175.800 0.158 0.000 1.104 238 F CA 0.184 58.209 58.000 0.042 0.000 1.232 238 F CB -0.150 38.845 39.000 -0.009 0.000 0.987 238 F HN 0.213 nan 8.300 nan 0.000 0.475 239 L N 1.201 122.565 121.223 0.235 0.000 1.976 239 L HA -0.164 4.174 4.340 -0.002 0.000 0.209 239 L C 2.401 179.347 176.870 0.126 0.000 1.071 239 L CA 1.693 56.635 54.840 0.170 0.000 0.746 239 L CB -0.811 41.305 42.059 0.095 0.000 0.890 239 L HN -0.058 nan 8.230 nan 0.000 0.432 240 R N 0.115 120.649 120.500 0.057 0.000 2.133 240 R HA -0.137 4.202 4.340 -0.002 0.000 0.247 240 R C 1.970 178.290 176.300 0.033 0.000 1.151 240 R CA 1.324 57.437 56.100 0.022 0.000 0.971 240 R CB -0.900 29.385 30.300 -0.024 0.000 0.866 240 R HN 0.560 nan 8.270 nan 0.000 0.447 241 A N 0.855 123.715 122.820 0.066 0.000 2.247 241 A HA -0.075 4.244 4.320 -0.002 0.000 0.205 241 A C 0.788 178.413 177.584 0.067 0.000 1.261 241 A CA 0.895 52.931 52.037 -0.002 0.000 0.853 241 A CB -0.017 18.982 19.000 -0.002 0.000 0.793 241 A HN 0.199 nan 8.150 nan 0.000 0.487 242 E N -1.759 118.519 120.200 0.129 0.000 2.676 242 E HA -0.018 4.331 4.350 -0.002 0.000 0.225 242 E C 1.477 178.135 176.600 0.096 0.000 0.944 242 E CA 0.175 56.676 56.400 0.168 0.000 1.156 242 E CB -0.010 29.815 29.700 0.208 0.000 1.117 242 E HN 0.622 nan 8.360 nan 0.000 0.523 243 Q N 2.060 121.891 119.800 0.051 0.000 2.045 243 Q HA -0.256 4.082 4.340 -0.002 0.000 0.206 243 Q C 2.118 178.111 176.000 -0.012 0.000 0.991 243 Q CA 2.470 58.279 55.803 0.010 0.000 0.851 243 Q CB -0.130 28.597 28.738 -0.018 0.000 0.911 243 Q HN 0.255 nan 8.270 nan 0.000 0.418 244 Q N -1.052 118.735 119.800 -0.021 0.000 1.985 244 Q HA -0.154 4.185 4.340 -0.002 0.000 0.207 244 Q C 1.957 177.940 176.000 -0.028 0.000 0.996 244 Q CA 2.388 58.147 55.803 -0.073 0.000 0.851 244 Q CB -1.002 27.675 28.738 -0.101 0.000 0.921 244 Q HN 0.542 nan 8.270 nan 0.000 0.418 245 G N 0.550 109.383 108.800 0.055 0.000 2.440 245 G HA2 -0.250 3.708 3.960 -0.002 0.000 0.218 245 G HA3 -0.250 3.708 3.960 -0.002 0.000 0.218 245 G C 1.408 176.376 174.900 0.114 0.000 1.154 245 G CA 1.142 46.318 45.100 0.127 0.000 0.767 245 G HN 0.437 nan 8.290 nan 0.000 0.552 246 I N 1.054 121.678 120.570 0.089 0.000 2.286 246 I HA -0.167 4.002 4.170 -0.002 0.000 0.248 246 I C 2.312 178.471 176.117 0.070 0.000 1.115 246 I CA 0.795 62.143 61.300 0.080 0.000 1.392 246 I CB -0.265 37.779 38.000 0.073 0.000 1.065 246 I HN 0.094 nan 8.210 nan 0.000 0.418 247 N N 1.131 119.856 118.700 0.042 0.000 2.364 247 N HA -0.115 4.624 4.740 -0.002 0.000 0.183 247 N C 1.769 177.362 175.510 0.137 0.000 1.022 247 N CA 1.456 54.506 53.050 0.000 0.000 0.883 247 N CB -0.108 38.252 38.487 -0.212 0.000 0.965 247 N HN 0.403 nan 8.380 nan 0.000 0.438 248 A N 1.622 124.591 122.820 0.249 0.000 1.844 248 A HA -0.037 4.282 4.320 -0.002 0.000 0.212 248 A C 2.004 179.619 177.584 0.052 0.000 1.221 248 A CA 0.804 52.986 52.037 0.241 0.000 0.607 248 A CB -0.565 18.582 19.000 0.244 0.000 0.878 248 A HN 0.204 nan 8.150 nan 0.000 0.451 249 E N 0.613 120.847 120.200 0.057 0.000 2.187 249 E HA -0.298 4.051 4.350 -0.002 0.000 0.199 249 E C 1.841 178.468 176.600 0.045 0.000 1.004 249 E CA 1.658 58.074 56.400 0.027 0.000 0.813 249 E CB -0.388 29.339 29.700 0.046 0.000 0.736 249 E HN 0.814 nan 8.360 nan 0.000 0.468 250 K N 1.257 121.700 120.400 0.071 0.000 2.286 250 K HA -0.181 4.137 4.320 -0.002 0.000 0.203 250 K C 1.858 178.525 176.600 0.112 0.000 1.045 250 K CA 1.328 57.673 56.287 0.097 0.000 0.935 250 K CB -0.297 32.256 32.500 0.089 0.000 0.737 250 K HN 0.162 nan 8.250 nan 0.000 0.460 251 L N 1.419 122.684 121.223 0.069 0.000 2.141 251 L HA -0.062 4.277 4.340 -0.002 0.000 0.209 251 L C 1.118 178.116 176.870 0.214 0.000 1.094 251 L CA 1.405 56.308 54.840 0.106 0.000 0.763 251 L CB -0.568 41.468 42.059 -0.039 0.000 0.908 251 L HN 0.456 nan 8.230 nan 0.000 0.437 252 T N -4.245 110.417 114.554 0.179 0.000 3.438 252 T HA 0.290 4.638 4.350 -0.002 0.000 0.244 252 T C 0.454 175.311 174.700 0.261 0.000 1.269 252 T CA -0.530 61.727 62.100 0.263 0.000 1.371 252 T CB 1.150 70.116 68.868 0.163 0.000 1.002 252 T HN -0.038 nan 8.240 nan 0.000 0.637 253 K N 0.495 121.078 120.400 0.304 0.000 2.403 253 K HA 0.500 4.819 4.320 -0.002 0.000 0.199 253 K C -0.044 176.747 176.600 0.317 0.000 1.199 253 K CA 0.222 56.663 56.287 0.256 0.000 0.924 253 K CB 1.005 33.653 32.500 0.247 0.000 1.137 253 K HN 0.354 nan 8.250 nan 0.000 0.510 254 V N 1.452 121.505 119.914 0.232 0.000 2.925 254 V HA 0.356 4.474 4.120 -0.002 0.000 0.311 254 V C -1.158 174.723 176.094 -0.356 0.000 1.104 254 V CA -1.025 61.287 62.300 0.021 0.000 0.954 254 V CB 2.093 33.973 31.823 0.095 0.000 1.022 254 V HN 0.100 nan 8.190 nan 0.000 0.427 255 L N 4.617 125.421 121.223 -0.698 0.000 2.307 255 L HA 0.509 4.847 4.340 -0.002 0.000 0.282 255 L C -0.204 176.455 176.870 -0.351 0.000 1.051 255 L CA -0.328 53.918 54.840 -0.989 0.000 0.804 255 L CB 0.609 41.911 42.059 -1.262 0.000 1.197 255 L HN 0.914 nan 8.230 nan 0.000 0.431 256 Y N 1.514 121.715 120.300 -0.165 0.000 3.168 256 Y HA -0.209 4.340 4.550 -0.002 0.000 0.207 256 Y C -1.865 174.034 175.900 -0.001 0.000 1.280 256 Y CA -1.110 56.955 58.100 -0.058 0.000 1.235 256 Y CB -1.598 36.831 38.460 -0.052 0.000 1.370 256 Y HN 0.549 nan 8.280 nan 0.000 0.537 257 P HA -0.076 nan 4.420 nan 0.000 0.266 257 P C 0.182 177.570 177.300 0.146 0.000 1.195 257 P CA 0.082 63.265 63.100 0.138 0.000 0.768 257 P CB 0.556 32.333 31.700 0.128 0.000 0.838 258 N N 2.850 121.644 118.700 0.156 0.000 2.374 258 N HA -0.089 4.649 4.740 -0.002 0.000 0.269 258 N C 0.108 175.724 175.510 0.177 0.000 1.310 258 N CA 0.371 53.521 53.050 0.168 0.000 0.877 258 N CB -0.026 38.569 38.487 0.180 0.000 1.096 258 N HN 0.322 nan 8.380 nan 0.000 0.484 259 D N 1.421 121.892 120.400 0.119 0.000 2.501 259 D HA 0.033 4.671 4.640 -0.002 0.000 0.226 259 D C -0.236 176.122 176.300 0.096 0.000 1.198 259 D CA -0.173 53.850 54.000 0.038 0.000 0.830 259 D CB -1.192 39.632 40.800 0.041 0.000 1.014 259 D HN 0.606 nan 8.370 nan 0.000 0.496 260 N N 0.776 119.631 118.700 0.259 0.000 2.627 260 N HA -0.058 4.681 4.740 -0.002 0.000 0.196 260 N C -0.050 175.656 175.510 0.327 0.000 1.268 260 N CA 0.409 53.611 53.050 0.253 0.000 0.904 260 N CB -0.105 38.524 38.487 0.235 0.000 1.016 260 N HN 0.505 nan 8.380 nan 0.000 0.448 261 H N -4.190 114.923 119.070 0.070 0.000 3.008 261 H HA 0.249 4.804 4.556 -0.002 0.000 0.354 261 H C 0.497 175.875 175.328 0.082 0.000 1.252 261 H CA -0.682 55.407 56.048 0.067 0.000 1.117 261 H CB 0.591 30.390 29.762 0.061 0.000 1.857 261 H HN -0.307 nan 8.280 nan 0.000 0.547 262 T N 1.028 115.623 114.554 0.069 0.000 2.580 262 T HA -0.180 4.169 4.350 -0.002 0.000 0.265 262 T C 2.233 176.898 174.700 -0.058 0.000 1.063 262 T CA 2.801 64.918 62.100 0.029 0.000 1.170 262 T CB -0.739 68.170 68.868 0.069 0.000 0.863 262 T HN 0.710 nan 8.240 nan 0.000 0.418 263 A N 1.234 124.022 122.820 -0.054 0.000 2.042 263 A HA -0.043 4.275 4.320 -0.002 0.000 0.222 263 A C 2.486 179.945 177.584 -0.208 0.000 1.167 263 A CA 2.150 54.151 52.037 -0.061 0.000 0.649 263 A CB -1.359 17.690 19.000 0.082 0.000 0.809 263 A HN 0.565 nan 8.150 nan 0.000 0.457 264 G N -0.461 107.970 108.800 -0.614 0.000 2.425 264 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.213 264 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.213 264 G C 1.635 176.483 174.900 -0.088 0.000 1.201 264 G CA 0.840 45.665 45.100 -0.459 0.000 0.799 264 G HN 0.573 nan 8.290 nan 0.000 0.534 265 K N 0.497 120.886 120.400 -0.019 0.000 2.032 265 K HA -0.087 4.231 4.320 -0.002 0.000 0.209 265 K C 2.411 179.185 176.600 0.291 0.000 1.048 265 K CA 1.350 57.768 56.287 0.218 0.000 0.927 265 K CB -0.180 32.466 32.500 0.244 0.000 0.712 265 K HN 0.223 nan 8.250 nan 0.000 0.441 266 K N 1.206 121.692 120.400 0.143 0.000 2.074 266 K HA -0.180 4.139 4.320 -0.002 0.000 0.209 266 K C 2.140 178.774 176.600 0.055 0.000 1.048 266 K CA 1.105 57.434 56.287 0.070 0.000 0.926 266 K CB -0.127 32.396 32.500 0.038 0.000 0.713 266 K HN 0.037 nan 8.250 nan 0.000 0.444 267 L N 1.263 122.529 121.223 0.070 0.000 2.201 267 L HA -0.120 4.219 4.340 -0.002 0.000 0.212 267 L C 1.971 178.926 176.870 0.141 0.000 1.105 267 L CA 1.443 56.338 54.840 0.092 0.000 0.775 267 L CB -0.179 41.931 42.059 0.085 0.000 0.913 267 L HN 0.107 nan 8.230 nan 0.000 0.440 268 R N -0.890 119.724 120.500 0.190 0.000 2.093 268 R HA -0.033 4.305 4.340 -0.002 0.000 0.224 268 R C 2.122 178.552 176.300 0.216 0.000 1.101 268 R CA 1.154 57.410 56.100 0.260 0.000 0.979 268 R CB -0.880 29.643 30.300 0.371 0.000 0.877 268 R HN 0.321 nan 8.270 nan 0.000 0.441 269 L N 1.007 122.258 121.223 0.047 0.000 2.093 269 L HA -0.024 4.314 4.340 -0.002 0.000 0.208 269 L C 2.197 179.039 176.870 -0.048 0.000 1.085 269 L CA 1.576 56.255 54.840 -0.268 0.000 0.755 269 L CB -0.296 41.279 42.059 -0.806 0.000 0.904 269 L HN 0.099 nan 8.230 nan 0.000 0.435 270 M N -1.887 117.740 119.600 0.044 0.000 2.349 270 M HA -0.152 4.327 4.480 -0.002 0.000 0.266 270 M C 2.106 178.550 176.300 0.241 0.000 1.076 270 M CA 1.135 56.525 55.300 0.150 0.000 1.126 270 M CB -0.206 32.473 32.600 0.131 0.000 1.392 270 M HN 0.349 nan 8.290 nan 0.000 0.440 271 Q N 0.190 120.131 119.800 0.234 0.000 2.016 271 Q HA -0.179 4.159 4.340 -0.002 0.000 0.200 271 Q C 2.033 178.216 176.000 0.305 0.000 0.978 271 Q CA 1.343 57.331 55.803 0.309 0.000 0.833 271 Q CB -0.166 28.755 28.738 0.304 0.000 0.895 271 Q HN 0.591 nan 8.270 nan 0.000 0.427 272 Q N -0.089 119.858 119.800 0.244 0.000 1.985 272 Q HA -0.243 4.095 4.340 -0.002 0.000 0.207 272 Q C 1.993 178.087 176.000 0.157 0.000 0.996 272 Q CA 1.879 57.808 55.803 0.209 0.000 0.851 272 Q CB -0.442 28.427 28.738 0.218 0.000 0.921 272 Q HN 0.346 nan 8.270 nan 0.000 0.418 273 Y N 0.900 121.222 120.300 0.037 0.000 2.040 273 Y HA -0.345 4.203 4.550 -0.003 0.000 0.275 273 Y C 2.064 177.992 175.900 0.046 0.000 1.171 273 Y CA 1.910 60.003 58.100 -0.012 0.000 1.123 273 Y CB -0.784 37.635 38.460 -0.069 0.000 0.963 273 Y HN 0.197 nan 8.280 nan 0.000 0.493 274 F N 1.315 121.177 119.950 -0.148 0.000 2.154 274 F HA -0.303 4.223 4.527 -0.002 0.000 0.301 274 F C 2.541 178.181 175.800 -0.266 0.000 1.087 274 F CA 2.438 60.305 58.000 -0.222 0.000 1.274 274 F CB -0.860 38.132 39.000 -0.012 0.000 1.009 274 F HN 0.355 nan 8.300 nan 0.000 0.485 275 Q N -0.750 118.867 119.800 -0.306 0.000 2.123 275 Q HA -0.160 4.178 4.340 -0.002 0.000 0.199 275 Q C 2.231 178.038 176.000 -0.321 0.000 0.966 275 Q CA 1.914 57.541 55.803 -0.294 0.000 0.845 275 Q CB -0.401 28.378 28.738 0.068 0.000 0.907 275 Q HN 0.524 nan 8.270 nan 0.000 0.439 276 C N 0.120 119.260 119.300 -0.266 0.000 2.464 276 C HA 0.175 4.633 4.460 -0.002 0.000 0.278 276 C C 2.715 177.477 174.990 -0.381 0.000 1.375 276 C CA 0.397 59.283 59.018 -0.221 0.000 1.761 276 C CB -0.962 26.724 27.740 -0.091 0.000 1.944 276 C HN 0.681 nan 8.230 nan 0.000 0.509 277 A N -0.105 122.335 122.820 -0.633 0.000 1.845 277 A HA -0.214 4.104 4.320 -0.002 0.000 0.215 277 A C 2.172 179.400 177.584 -0.594 0.000 1.195 277 A CA 2.315 53.979 52.037 -0.621 0.000 0.616 277 A CB -1.219 17.319 19.000 -0.771 0.000 0.832 277 A HN 0.626 nan 8.150 nan 0.000 0.443 278 C N -0.643 118.089 119.300 -0.947 0.000 2.413 278 C HA -0.074 4.385 4.460 -0.002 0.000 0.277 278 C C 3.271 177.694 174.990 -0.945 0.000 1.228 278 C CA 1.265 59.477 59.018 -1.343 0.000 1.731 278 C CB -1.411 24.634 27.740 -2.824 0.000 2.042 278 C HN 0.628 nan 8.230 nan 0.000 0.468 279 S N 1.013 116.298 115.700 -0.691 0.000 2.359 279 S HA -0.186 4.282 4.470 -0.002 0.000 0.222 279 S C 1.938 176.272 174.600 -0.443 0.000 1.038 279 S CA 1.854 59.744 58.200 -0.515 0.000 1.051 279 S CB -0.658 62.219 63.200 -0.537 0.000 0.944 279 S HN 0.465 nan 8.310 nan 0.000 0.433 280 V N 2.331 122.066 119.914 -0.298 0.000 2.278 280 V HA -0.308 3.810 4.120 -0.002 0.000 0.251 280 V C 2.674 178.684 176.094 -0.140 0.000 1.062 280 V CA 1.953 64.159 62.300 -0.156 0.000 1.038 280 V CB -1.408 30.380 31.823 -0.058 0.000 0.646 280 V HN 0.578 nan 8.190 nan 0.000 0.447 281 A N -0.020 122.692 122.820 -0.180 0.000 1.877 281 A HA -0.318 4.000 4.320 -0.002 0.000 0.216 281 A C 2.057 179.592 177.584 -0.081 0.000 1.186 281 A CA 2.286 54.246 52.037 -0.128 0.000 0.620 281 A CB -0.815 18.073 19.000 -0.186 0.000 0.822 281 A HN 0.614 nan 8.150 nan 0.000 0.443 282 D N -0.029 120.328 120.400 -0.072 0.000 2.103 282 D HA -0.182 4.457 4.640 -0.002 0.000 0.190 282 D C 1.747 178.086 176.300 0.066 0.000 0.997 282 D CA 1.921 55.974 54.000 0.087 0.000 0.833 282 D CB -0.292 40.708 40.800 0.334 0.000 0.961 282 D HN 0.484 nan 8.370 nan 0.000 0.447 283 I N 0.144 120.723 120.570 0.015 0.000 2.087 283 I HA -0.323 3.845 4.170 -0.002 0.000 0.240 283 I C 2.610 178.729 176.117 0.004 0.000 1.054 283 I CA 0.984 62.292 61.300 0.014 0.000 1.311 283 I CB -0.507 37.467 38.000 -0.044 0.000 1.024 283 I HN 0.162 nan 8.210 nan 0.000 0.402 284 L N 0.137 121.348 121.223 -0.020 0.000 1.990 284 L HA -0.294 4.045 4.340 -0.002 0.000 0.213 284 L C 2.841 179.759 176.870 0.079 0.000 1.072 284 L CA 1.683 56.533 54.840 0.016 0.000 0.755 284 L CB -0.810 41.251 42.059 0.003 0.000 0.889 284 L HN 0.296 nan 8.230 nan 0.000 0.432 285 R N 0.449 120.967 120.500 0.030 0.000 2.112 285 R HA -0.272 4.067 4.340 -0.002 0.000 0.242 285 R C 2.508 178.835 176.300 0.046 0.000 1.137 285 R CA 2.330 58.434 56.100 0.006 0.000 0.944 285 R CB -0.309 29.983 30.300 -0.014 0.000 0.857 285 R HN 0.251 nan 8.270 nan 0.000 0.435 286 R N -0.870 119.656 120.500 0.043 0.000 2.083 286 R HA -0.237 4.102 4.340 -0.002 0.000 0.237 286 R C 2.377 178.696 176.300 0.031 0.000 1.137 286 R CA 2.266 58.379 56.100 0.022 0.000 0.951 286 R CB -0.510 29.785 30.300 -0.010 0.000 0.851 286 R HN 0.436 nan 8.270 nan 0.000 0.434 287 H N -0.399 118.638 119.070 -0.055 0.000 2.321 287 H HA -0.190 4.365 4.556 -0.002 0.000 0.300 287 H C 2.218 177.509 175.328 -0.061 0.000 1.087 287 H CA 2.291 58.285 56.048 -0.090 0.000 1.319 287 H CB -0.320 29.392 29.762 -0.083 0.000 1.379 287 H HN 0.332 nan 8.280 nan 0.000 0.501 288 H N -0.023 119.047 119.070 -0.001 0.000 2.352 288 H HA -0.114 4.440 4.556 -0.003 0.000 0.299 288 H C 1.822 177.092 175.328 -0.097 0.000 1.097 288 H CA 1.715 57.733 56.048 -0.051 0.000 1.311 288 H CB -0.165 29.596 29.762 -0.001 0.000 1.377 288 H HN 0.343 nan 8.280 nan 0.000 0.504 289 L N 0.934 122.271 121.223 0.189 0.000 2.217 289 L HA 0.056 4.394 4.340 -0.002 0.000 0.211 289 L C 2.750 179.586 176.870 -0.056 0.000 1.107 289 L CA 1.322 56.219 54.840 0.096 0.000 0.783 289 L CB -1.135 40.954 42.059 0.051 0.000 0.919 289 L HN 0.314 nan 8.230 nan 0.000 0.442 290 A N -0.584 122.155 122.820 -0.134 0.000 2.248 290 A HA 0.289 4.608 4.320 -0.002 0.000 0.210 290 A C 1.775 179.194 177.584 -0.274 0.000 1.174 290 A CA 0.783 52.691 52.037 -0.216 0.000 0.750 290 A CB -1.032 17.785 19.000 -0.306 0.000 0.780 290 A HN 0.534 nan 8.150 nan 0.000 0.478 291 G N -0.883 107.763 108.800 -0.256 0.000 2.160 291 G HA2 -0.244 3.714 3.960 -0.002 0.000 0.251 291 G HA3 -0.244 3.714 3.960 -0.002 0.000 0.251 291 G C 0.163 174.855 174.900 -0.346 0.000 1.008 291 G CA 0.224 45.171 45.100 -0.255 0.000 0.724 291 G HN 0.526 nan 8.290 nan 0.000 0.514 292 R N 0.102 120.304 120.500 -0.497 0.000 2.457 292 R HA 0.435 4.774 4.340 -0.002 0.000 0.284 292 R C 0.265 176.323 176.300 -0.405 0.000 1.024 292 R CA -0.476 55.223 56.100 -0.669 0.000 1.025 292 R CB 0.929 30.337 30.300 -1.488 0.000 1.063 292 R HN 0.242 nan 8.270 nan 0.000 0.493 293 K N 2.780 123.027 120.400 -0.256 0.000 2.211 293 K HA 0.101 4.420 4.320 -0.002 0.000 0.275 293 K C 1.238 177.838 176.600 -0.001 0.000 1.024 293 K CA -0.535 55.694 56.287 -0.096 0.000 0.887 293 K CB 1.659 34.130 32.500 -0.049 0.000 1.084 293 K HN 0.285 nan 8.250 nan 0.000 0.463 294 L N 3.908 125.180 121.223 0.082 0.000 2.085 294 L HA -0.300 4.038 4.340 -0.002 0.000 0.218 294 L C 2.393 179.282 176.870 0.032 0.000 1.080 294 L CA 2.062 56.933 54.840 0.052 0.000 0.776 294 L CB -0.611 41.418 42.059 -0.050 0.000 0.891 294 L HN 0.781 nan 8.230 nan 0.000 0.437 295 H N -1.617 117.462 119.070 0.014 0.000 2.563 295 H HA 0.028 4.583 4.556 -0.003 0.000 0.272 295 H C 1.183 176.538 175.328 0.045 0.000 1.005 295 H CA 0.991 57.044 56.048 0.008 0.000 1.171 295 H CB -0.373 29.395 29.762 0.009 0.000 1.351 295 H HN 0.591 nan 8.280 nan 0.000 0.602 296 E N 0.136 120.178 120.200 -0.263 0.000 2.481 296 E HA 0.044 4.392 4.350 -0.002 0.000 0.198 296 E C 1.505 178.214 176.600 0.182 0.000 1.027 296 E CA -0.323 56.048 56.400 -0.049 0.000 0.900 296 E CB 0.385 30.101 29.700 0.027 0.000 0.993 296 E HN 0.160 nan 8.360 nan 0.000 0.482 297 L N 1.647 122.836 121.223 -0.057 0.000 1.963 297 L HA -0.224 4.115 4.340 -0.002 0.000 0.220 297 L C 2.231 179.016 176.870 -0.141 0.000 1.076 297 L CA 2.348 56.947 54.840 -0.401 0.000 0.772 297 L CB -0.606 41.154 42.059 -0.499 0.000 0.892 297 L HN 0.100 nan 8.230 nan 0.000 0.435 298 A N -1.618 121.118 122.820 -0.140 0.000 2.272 298 A HA -0.183 4.135 4.320 -0.002 0.000 0.213 298 A C 1.612 179.127 177.584 -0.115 0.000 1.183 298 A CA 1.768 53.727 52.037 -0.130 0.000 0.719 298 A CB -0.689 18.221 19.000 -0.150 0.000 0.771 298 A HN 0.621 nan 8.150 nan 0.000 0.484 299 D N -2.895 117.448 120.400 -0.094 0.000 2.389 299 D HA 0.141 4.780 4.640 -0.002 0.000 0.206 299 D C 0.634 176.708 176.300 -0.376 0.000 1.055 299 D CA 0.647 54.506 54.000 -0.236 0.000 0.856 299 D CB 0.126 40.743 40.800 -0.305 0.000 0.957 299 D HN 0.591 nan 8.370 nan 0.000 0.509 300 Y N 0.274 120.589 120.300 0.025 0.000 2.585 300 Y HA 0.228 4.777 4.550 -0.002 0.000 0.272 300 Y C 0.890 176.828 175.900 0.064 0.000 1.119 300 Y CA 0.012 58.154 58.100 0.072 0.000 1.255 300 Y CB 1.066 39.628 38.460 0.170 0.000 1.284 300 Y HN -0.284 nan 8.280 nan 0.000 0.499 301 E N 0.302 120.585 120.200 0.138 0.000 2.281 301 E HA 0.583 4.932 4.350 -0.002 0.000 0.262 301 E C -1.312 175.294 176.600 0.011 0.000 0.933 301 E CA -0.775 55.661 56.400 0.060 0.000 0.809 301 E CB 3.016 32.689 29.700 -0.045 0.000 1.242 301 E HN -0.151 nan 8.360 nan 0.000 0.418 302 V N 1.714 121.650 119.914 0.036 0.000 2.969 302 V HA 0.486 4.604 4.120 -0.002 0.000 0.304 302 V C -1.693 174.441 176.094 0.067 0.000 1.192 302 V CA -0.539 61.810 62.300 0.082 0.000 0.962 302 V CB 1.744 33.695 31.823 0.213 0.000 1.045 302 V HN 0.592 nan 8.190 nan 0.000 0.428 303 I N 4.899 125.499 120.570 0.050 0.000 2.436 303 I HA 0.485 4.654 4.170 -0.002 0.000 0.289 303 I C -0.769 175.492 176.117 0.240 0.000 1.010 303 I CA -0.692 60.666 61.300 0.097 0.000 1.098 303 I CB 2.011 39.966 38.000 -0.073 0.000 1.266 303 I HN 0.620 nan 8.210 nan 0.000 0.434 304 Q N 6.518 126.481 119.800 0.271 0.000 2.331 304 Q HA 0.475 4.813 4.340 -0.002 0.000 0.257 304 Q C -1.325 174.751 176.000 0.126 0.000 0.957 304 Q CA -0.063 55.903 55.803 0.272 0.000 0.923 304 Q CB 1.025 30.020 28.738 0.428 0.000 1.212 304 Q HN 0.549 nan 8.270 nan 0.000 0.443 305 L N 4.385 125.712 121.223 0.174 0.000 2.259 305 L HA 0.430 4.768 4.340 -0.002 0.000 0.288 305 L C -0.514 176.428 176.870 0.120 0.000 1.051 305 L CA -0.549 54.388 54.840 0.161 0.000 0.824 305 L CB 0.786 42.969 42.059 0.206 0.000 1.206 305 L HN 0.594 nan 8.230 nan 0.000 0.429 306 N N 3.796 122.540 118.700 0.073 0.000 2.462 306 N HA 0.334 5.072 4.740 -0.002 0.000 0.242 306 N C -0.891 174.752 175.510 0.221 0.000 1.010 306 N CA -0.353 52.780 53.050 0.138 0.000 0.939 306 N CB 0.651 39.302 38.487 0.274 0.000 1.127 306 N HN 0.459 nan 8.380 nan 0.000 0.509 307 D N -0.915 119.577 120.400 0.152 0.000 9.948 307 D HA -0.180 4.459 4.640 -0.002 0.000 0.354 307 D C 0.667 177.061 176.300 0.157 0.000 2.964 307 D CA 1.123 55.202 54.000 0.131 0.000 2.324 307 D CB -0.166 40.596 40.800 -0.063 0.000 1.175 307 D HN 0.517 nan 8.370 nan 0.000 1.063 308 T N -2.483 112.092 114.554 0.035 0.000 3.160 308 T HA -0.009 4.340 4.350 -0.002 0.000 0.257 308 T C 1.514 176.286 174.700 0.121 0.000 1.147 308 T CA 1.716 63.858 62.100 0.070 0.000 1.064 308 T CB -0.425 68.481 68.868 0.063 0.000 0.949 308 T HN 0.516 nan 8.240 nan 0.000 0.526 309 H N 2.457 121.657 119.070 0.217 0.000 2.387 309 H HA 0.017 4.572 4.556 -0.001 0.000 0.299 309 H C -0.723 174.720 175.328 0.192 0.000 1.099 309 H CA 1.215 57.399 56.048 0.228 0.000 1.315 309 H CB -0.602 29.299 29.762 0.233 0.000 1.380 309 H HN 0.459 nan 8.280 nan 0.000 0.513 310 P HA 0.130 nan 4.420 nan 0.000 0.266 310 P C 0.359 177.696 177.300 0.061 0.000 1.561 310 P CA 0.383 63.582 63.100 0.165 0.000 1.089 310 P CB 0.658 32.459 31.700 0.169 0.000 1.534 311 T N 0.758 115.346 114.554 0.058 0.000 2.759 311 T HA -0.148 4.201 4.350 -0.002 0.000 0.269 311 T C 1.582 176.232 174.700 -0.083 0.000 1.042 311 T CA 1.040 63.112 62.100 -0.047 0.000 1.140 311 T CB -0.674 68.197 68.868 0.005 0.000 0.864 311 T HN 0.045 nan 8.240 nan 0.000 0.455 312 I N 1.466 122.041 120.570 0.009 0.000 2.953 312 I HA -0.058 4.110 4.170 -0.002 0.000 0.271 312 I C 2.148 178.282 176.117 0.028 0.000 1.286 312 I CA -0.000 61.316 61.300 0.028 0.000 1.449 312 I CB -0.496 37.542 38.000 0.063 0.000 1.086 312 I HN 0.182 nan 8.210 nan 0.000 0.483 313 A N -0.441 122.332 122.820 -0.078 0.000 2.123 313 A HA 0.030 4.349 4.320 -0.002 0.000 0.214 313 A C 2.251 179.662 177.584 -0.287 0.000 1.152 313 A CA 0.720 52.712 52.037 -0.075 0.000 0.728 313 A CB -0.524 18.487 19.000 0.018 0.000 0.814 313 A HN 0.432 nan 8.150 nan 0.000 0.464 314 I N 0.656 120.857 120.570 -0.616 0.000 2.193 314 I HA -0.113 4.056 4.170 -0.002 0.000 0.240 314 I C -0.332 175.703 176.117 -0.137 0.000 1.084 314 I CA 1.282 62.168 61.300 -0.690 0.000 1.365 314 I CB -0.931 36.700 38.000 -0.615 0.000 1.064 314 I HN 0.222 nan 8.210 nan 0.000 0.410 315 P HA -0.192 nan 4.420 nan 0.000 0.218 315 P C 1.267 178.654 177.300 0.145 0.000 1.149 315 P CA 1.554 64.725 63.100 0.118 0.000 0.817 315 P CB 0.004 31.835 31.700 0.218 0.000 0.785 316 E N 0.246 120.612 120.200 0.276 0.000 2.106 316 E HA -0.160 4.189 4.350 -0.002 0.000 0.192 316 E C 1.950 178.666 176.600 0.192 0.000 0.984 316 E CA 0.692 57.303 56.400 0.351 0.000 0.806 316 E CB -1.191 28.730 29.700 0.369 0.000 0.750 316 E HN 0.031 nan 8.360 nan 0.000 0.458 317 L N 0.118 121.449 121.223 0.180 0.000 2.056 317 L HA -0.049 4.290 4.340 -0.002 0.000 0.207 317 L C 2.111 179.035 176.870 0.091 0.000 1.078 317 L CA 1.580 56.515 54.840 0.158 0.000 0.749 317 L CB -0.559 41.658 42.059 0.264 0.000 0.901 317 L HN 0.275 nan 8.230 nan 0.000 0.433 318 L N -0.741 120.513 121.223 0.052 0.000 1.989 318 L HA -0.242 4.097 4.340 -0.002 0.000 0.211 318 L C 2.806 179.700 176.870 0.040 0.000 1.071 318 L CA 1.722 56.555 54.840 -0.013 0.000 0.749 318 L CB -0.703 41.310 42.059 -0.077 0.000 0.890 318 L HN 0.286 nan 8.230 nan 0.000 0.431 319 R N 0.035 120.554 120.500 0.032 0.000 2.096 319 R HA -0.193 4.145 4.340 -0.002 0.000 0.240 319 R C 2.216 178.574 176.300 0.097 0.000 1.139 319 R CA 2.003 58.116 56.100 0.022 0.000 0.952 319 R CB -0.336 29.901 30.300 -0.105 0.000 0.854 319 R HN 0.181 nan 8.270 nan 0.000 0.436 320 V N 1.100 121.090 119.914 0.128 0.000 2.261 320 V HA -0.264 3.855 4.120 -0.002 0.000 0.246 320 V C 2.340 178.584 176.094 0.250 0.000 1.047 320 V CA 1.579 63.981 62.300 0.169 0.000 1.015 320 V CB -0.422 31.503 31.823 0.170 0.000 0.642 320 V HN 0.246 nan 8.190 nan 0.000 0.446 321 L N -0.726 120.625 121.223 0.212 0.000 1.989 321 L HA -0.163 4.176 4.340 -0.002 0.000 0.211 321 L C 2.153 179.142 176.870 0.199 0.000 1.071 321 L CA 2.005 56.979 54.840 0.224 0.000 0.749 321 L CB -0.671 41.433 42.059 0.076 0.000 0.890 321 L HN 0.220 nan 8.230 nan 0.000 0.431 322 I N -0.791 119.860 120.570 0.136 0.000 2.233 322 I HA -0.228 3.940 4.170 -0.002 0.000 0.243 322 I C 1.528 177.716 176.117 0.118 0.000 1.093 322 I CA 1.214 62.596 61.300 0.136 0.000 1.380 322 I CB -0.233 37.863 38.000 0.161 0.000 1.067 322 I HN 0.231 nan 8.210 nan 0.000 0.413 323 D N 0.076 120.537 120.400 0.101 0.000 2.348 323 D HA -0.043 4.595 4.640 -0.002 0.000 0.211 323 D C 1.481 177.795 176.300 0.023 0.000 0.998 323 D CA 0.673 54.719 54.000 0.077 0.000 0.873 323 D CB 0.144 41.003 40.800 0.098 0.000 0.925 323 D HN 0.385 nan 8.370 nan 0.000 0.524 324 E N -0.928 119.257 120.200 -0.024 0.000 2.562 324 E HA 0.108 4.457 4.350 -0.002 0.000 0.214 324 E C 0.159 176.422 176.600 -0.561 0.000 0.979 324 E CA 0.142 56.395 56.400 -0.245 0.000 1.002 324 E CB 0.551 30.085 29.700 -0.276 0.000 1.048 324 E HN 0.341 nan 8.360 nan 0.000 0.488 325 H N -0.455 118.651 119.070 0.059 0.000 3.182 325 H HA 0.141 4.696 4.556 -0.002 0.000 0.254 325 H C -0.401 174.960 175.328 0.056 0.000 1.197 325 H CA -0.215 55.867 56.048 0.057 0.000 1.061 325 H CB 0.695 30.493 29.762 0.060 0.000 1.722 325 H HN -0.133 nan 8.280 nan 0.000 0.662 326 Q N -0.095 119.771 119.800 0.109 0.000 2.397 326 Q HA -0.223 4.115 4.340 -0.002 0.000 0.253 326 Q C -0.337 175.730 176.000 0.111 0.000 1.026 326 Q CA 0.794 56.655 55.803 0.096 0.000 1.066 326 Q CB -1.511 27.270 28.738 0.071 0.000 1.553 326 Q HN 0.619 nan 8.270 nan 0.000 0.538 327 M N 0.473 120.153 119.600 0.134 0.000 2.239 327 M HA 0.073 4.551 4.480 -0.002 0.000 0.348 327 M C 0.707 177.083 176.300 0.126 0.000 1.239 327 M CA 0.404 55.772 55.300 0.115 0.000 1.114 327 M CB 0.664 33.326 32.600 0.104 0.000 1.641 327 M HN 0.307 nan 8.290 nan 0.000 0.453 328 S N 3.510 119.284 115.700 0.124 0.000 2.572 328 S HA -0.021 4.447 4.470 -0.002 0.000 0.279 328 S C 0.941 175.677 174.600 0.227 0.000 1.341 328 S CA -0.766 57.534 58.200 0.167 0.000 1.043 328 S CB 0.621 63.906 63.200 0.143 0.000 0.887 328 S HN 0.963 nan 8.310 nan 0.000 0.516 329 W N 2.858 124.207 121.300 0.083 0.000 2.304 329 W HA -0.253 4.405 4.660 -0.003 0.000 0.315 329 W C 0.916 177.520 176.519 0.142 0.000 1.233 329 W CA 2.363 59.773 57.345 0.109 0.000 1.261 329 W CB -1.021 28.482 29.460 0.071 0.000 1.150 329 W HN 0.883 nan 8.180 nan 0.000 0.494 330 D N 0.228 120.862 120.400 0.391 0.000 2.190 330 D HA -0.219 4.420 4.640 -0.002 0.000 0.200 330 D C 1.714 178.113 176.300 0.165 0.000 0.992 330 D CA 2.006 56.172 54.000 0.278 0.000 0.854 330 D CB -0.326 40.607 40.800 0.222 0.000 0.936 330 D HN 0.084 nan 8.370 nan 0.000 0.462 331 D N -0.392 120.080 120.400 0.120 0.000 2.162 331 D HA -0.004 4.635 4.640 -0.002 0.000 0.203 331 D C 2.089 178.411 176.300 0.037 0.000 0.967 331 D CA 0.826 54.872 54.000 0.077 0.000 0.840 331 D CB -0.190 40.650 40.800 0.066 0.000 0.972 331 D HN 0.164 nan 8.370 nan 0.000 0.482 332 A N 1.481 124.299 122.820 -0.003 0.000 1.858 332 A HA -0.179 4.139 4.320 -0.002 0.000 0.216 332 A C 2.160 179.675 177.584 -0.115 0.000 1.190 332 A CA 1.102 53.097 52.037 -0.070 0.000 0.617 332 A CB -1.288 17.642 19.000 -0.116 0.000 0.827 332 A HN 0.410 nan 8.150 nan 0.000 0.443 333 W N 0.848 121.921 121.300 -0.378 0.000 2.318 333 W HA -0.286 4.372 4.660 -0.004 0.000 0.313 333 W C 2.379 178.819 176.519 -0.131 0.000 1.221 333 W CA 2.474 59.625 57.345 -0.323 0.000 1.266 333 W CB -0.441 28.799 29.460 -0.367 0.000 1.150 333 W HN 0.457 nan 8.180 nan 0.000 0.496 334 A N 0.604 123.469 122.820 0.075 0.000 1.958 334 A HA -0.251 4.067 4.320 -0.002 0.000 0.221 334 A C 2.038 179.570 177.584 -0.086 0.000 1.178 334 A CA 2.342 54.397 52.037 0.029 0.000 0.642 334 A CB -1.014 18.026 19.000 0.067 0.000 0.816 334 A HN 0.401 nan 8.150 nan 0.000 0.453 335 I N -0.634 119.871 120.570 -0.108 0.000 2.188 335 I HA -0.177 3.991 4.170 -0.002 0.000 0.237 335 I C 2.955 178.948 176.117 -0.207 0.000 1.073 335 I CA 1.627 62.846 61.300 -0.134 0.000 1.359 335 I CB -0.888 37.049 38.000 -0.106 0.000 1.083 335 I HN 0.543 nan 8.210 nan 0.000 0.412 336 T N -0.414 113.995 114.554 -0.242 0.000 2.580 336 T HA -0.257 4.092 4.350 -0.002 0.000 0.265 336 T C 2.031 176.567 174.700 -0.274 0.000 1.063 336 T CA 2.006 63.979 62.100 -0.212 0.000 1.170 336 T CB -1.198 67.564 68.868 -0.176 0.000 0.863 336 T HN 0.435 nan 8.240 nan 0.000 0.418 337 S N 1.115 116.428 115.700 -0.646 0.000 2.461 337 S HA -0.089 4.380 4.470 -0.002 0.000 0.246 337 S C 1.730 176.218 174.600 -0.188 0.000 1.007 337 S CA 1.216 59.051 58.200 -0.607 0.000 0.976 337 S CB -0.459 62.158 63.200 -0.970 0.000 0.763 337 S HN 0.444 nan 8.310 nan 0.000 0.508 338 K N 0.140 120.446 120.400 -0.156 0.000 2.358 338 K HA 0.342 4.660 4.320 -0.002 0.000 0.200 338 K C 1.377 177.940 176.600 -0.062 0.000 1.030 338 K CA 0.511 56.732 56.287 -0.111 0.000 1.097 338 K CB 0.270 32.671 32.500 -0.165 0.000 0.862 338 K HN 0.451 nan 8.250 nan 0.000 0.534 339 T N -0.958 113.579 114.554 -0.029 0.000 3.056 339 T HA 0.290 4.639 4.350 -0.002 0.000 0.243 339 T C 0.141 174.834 174.700 -0.011 0.000 0.995 339 T CA -0.029 62.017 62.100 -0.089 0.000 1.091 339 T CB 0.027 68.676 68.868 -0.365 0.000 0.990 339 T HN -0.106 nan 8.240 nan 0.000 0.464 340 F N 2.182 122.176 119.950 0.075 0.000 2.443 340 F HA 0.577 5.102 4.527 -0.003 0.000 0.353 340 F C 0.624 176.358 175.800 -0.111 0.000 1.101 340 F CA -0.852 57.151 58.000 0.006 0.000 1.226 340 F CB 0.536 39.485 39.000 -0.085 0.000 1.140 340 F HN 0.085 nan 8.300 nan 0.000 0.557 341 A N 3.937 126.789 122.820 0.053 0.000 2.401 341 A HA 0.688 5.006 4.320 -0.002 0.000 0.310 341 A C -2.055 175.552 177.584 0.038 0.000 1.075 341 A CA -0.607 51.276 52.037 -0.257 0.000 0.746 341 A CB 1.159 19.986 19.000 -0.288 0.000 1.277 341 A HN 0.733 nan 8.150 nan 0.000 0.425 342 Y N 0.798 121.004 120.300 -0.157 0.000 2.373 342 Y HA 0.638 5.185 4.550 -0.004 0.000 0.336 342 Y C -0.731 175.145 175.900 -0.040 0.000 0.979 342 Y CA -0.333 57.725 58.100 -0.070 0.000 1.080 342 Y CB 2.003 40.404 38.460 -0.099 0.000 1.190 342 Y HN 0.518 nan 8.280 nan 0.000 0.446 343 T N 6.487 120.673 114.554 -0.613 0.000 2.756 343 T HA 0.193 4.541 4.350 -0.002 0.000 0.290 343 T C -0.432 173.706 174.700 -0.937 0.000 0.985 343 T CA -0.720 60.973 62.100 -0.678 0.000 0.955 343 T CB 0.166 68.783 68.868 -0.418 0.000 0.930 343 T HN 0.730 nan 8.240 nan 0.000 0.451 344 N N 2.803 121.047 118.700 -0.759 0.000 2.508 344 N HA -0.011 4.727 4.740 -0.002 0.000 0.253 344 N C 0.616 176.121 175.510 -0.008 0.000 1.145 344 N CA -0.419 52.459 53.050 -0.288 0.000 0.973 344 N CB 0.263 38.762 38.487 0.020 0.000 1.305 344 N HN 0.573 nan 8.380 nan 0.000 0.506 345 H N 1.485 120.567 119.070 0.020 0.000 2.559 345 H HA 0.045 4.600 4.556 -0.002 0.000 0.273 345 H C 0.172 175.425 175.328 -0.124 0.000 1.000 345 H CA 0.742 56.783 56.048 -0.012 0.000 1.195 345 H CB 0.616 30.392 29.762 0.024 0.000 1.368 345 H HN 0.453 nan 8.280 nan 0.000 0.592 346 T N -0.712 113.849 114.554 0.011 0.000 2.893 346 T HA 0.218 4.566 4.350 -0.002 0.000 0.337 346 T C 0.346 175.025 174.700 -0.035 0.000 1.587 346 T CA -0.657 61.383 62.100 -0.100 0.000 1.066 346 T CB 0.536 69.361 68.868 -0.072 0.000 1.414 346 T HN 0.008 nan 8.240 nan 0.000 0.488 347 L N 2.085 123.253 121.223 -0.091 0.000 2.567 347 L HA 0.320 4.658 4.340 -0.002 0.000 0.225 347 L C 0.866 177.670 176.870 -0.109 0.000 1.119 347 L CA 0.055 54.853 54.840 -0.070 0.000 0.871 347 L CB -0.019 42.001 42.059 -0.066 0.000 1.036 347 L HN 0.481 nan 8.230 nan 0.000 0.459 348 M N 2.297 121.804 119.600 -0.154 0.000 2.356 348 M HA 0.061 4.539 4.480 -0.002 0.000 0.348 348 M C -0.979 175.286 176.300 -0.058 0.000 1.595 348 M CA -1.944 53.285 55.300 -0.119 0.000 1.095 348 M CB 0.245 32.770 32.600 -0.126 0.000 1.963 348 M HN -0.170 nan 8.290 nan 0.000 0.459 349 P HA -0.253 nan 4.420 nan 0.000 0.218 349 P C 0.777 178.036 177.300 -0.069 0.000 1.147 349 P CA 1.671 64.736 63.100 -0.059 0.000 0.827 349 P CB -0.237 31.430 31.700 -0.054 0.000 0.778 350 E N 0.348 120.517 120.200 -0.051 0.000 2.209 350 E HA -0.134 4.215 4.350 -0.002 0.000 0.196 350 E C 1.759 178.329 176.600 -0.050 0.000 0.993 350 E CA 1.577 57.938 56.400 -0.065 0.000 0.819 350 E CB -0.818 28.846 29.700 -0.061 0.000 0.745 350 E HN 0.301 nan 8.360 nan 0.000 0.477 351 A N 0.946 123.739 122.820 -0.045 0.000 2.252 351 A HA 0.265 4.584 4.320 -0.002 0.000 0.213 351 A C 1.511 179.059 177.584 -0.060 0.000 1.188 351 A CA -0.338 51.654 52.037 -0.074 0.000 0.863 351 A CB 0.155 19.120 19.000 -0.058 0.000 0.893 351 A HN 0.132 nan 8.150 nan 0.000 0.495 352 L N 2.124 123.322 121.223 -0.042 0.000 2.719 352 L HA 0.168 4.507 4.340 -0.002 0.000 0.236 352 L C -0.147 176.676 176.870 -0.078 0.000 1.285 352 L CA -0.408 54.422 54.840 -0.018 0.000 1.222 352 L CB -0.337 41.708 42.059 -0.023 0.000 1.493 352 L HN 0.393 nan 8.230 nan 0.000 0.415 353 E N 1.417 121.566 120.200 -0.085 0.000 2.492 353 E HA 0.092 4.441 4.350 -0.002 0.000 0.266 353 E C 0.056 176.511 176.600 -0.241 0.000 1.187 353 E CA 0.543 56.829 56.400 -0.189 0.000 1.036 353 E CB 0.626 30.270 29.700 -0.093 0.000 0.994 353 E HN 0.364 nan 8.360 nan 0.000 0.468 354 R N 0.076 120.290 120.500 -0.477 0.000 2.663 354 R HA 0.361 4.699 4.340 -0.002 0.000 0.267 354 R C -1.889 174.076 176.300 -0.558 0.000 1.038 354 R CA -0.689 55.209 56.100 -0.337 0.000 0.886 354 R CB 1.333 31.450 30.300 -0.305 0.000 1.249 354 R HN 0.504 nan 8.270 nan 0.000 0.463 355 W N 1.243 122.589 121.300 0.076 0.000 3.097 355 W HA 0.260 4.919 4.660 -0.002 0.000 0.335 355 W C -0.925 175.640 176.519 0.075 0.000 1.114 355 W CA -0.641 56.745 57.345 0.068 0.000 1.231 355 W CB 1.757 31.256 29.460 0.064 0.000 1.388 355 W HN 0.337 nan 8.180 nan 0.000 0.485 356 D N 1.890 122.490 120.400 0.332 0.000 2.434 356 D HA 0.015 4.653 4.640 -0.002 0.000 0.252 356 D C 1.467 177.884 176.300 0.195 0.000 1.185 356 D CA 0.257 54.384 54.000 0.212 0.000 0.886 356 D CB 1.449 42.351 40.800 0.170 0.000 1.148 356 D HN 0.296 nan 8.370 nan 0.000 0.483 357 V N 2.443 122.447 119.914 0.151 0.000 2.370 357 V HA -0.313 3.805 4.120 -0.002 0.000 0.252 357 V C 2.146 178.287 176.094 0.079 0.000 1.068 357 V CA 1.702 64.068 62.300 0.111 0.000 1.061 357 V CB -0.658 31.217 31.823 0.086 0.000 0.656 357 V HN 0.512 nan 8.190 nan 0.000 0.455 358 K N 0.080 120.528 120.400 0.080 0.000 2.063 358 K HA -0.191 4.128 4.320 -0.002 0.000 0.208 358 K C 2.125 178.757 176.600 0.052 0.000 1.048 358 K CA 2.001 58.323 56.287 0.059 0.000 0.928 358 K CB -0.273 32.263 32.500 0.060 0.000 0.713 358 K HN 0.483 nan 8.250 nan 0.000 0.442 359 L N 0.632 121.903 121.223 0.079 0.000 2.056 359 L HA -0.113 4.225 4.340 -0.002 0.000 0.207 359 L C 1.929 178.784 176.870 -0.024 0.000 1.078 359 L CA 1.367 56.241 54.840 0.056 0.000 0.749 359 L CB -0.290 41.852 42.059 0.137 0.000 0.901 359 L HN -0.006 nan 8.230 nan 0.000 0.433 360 V N -0.225 119.674 119.914 -0.025 0.000 2.270 360 V HA -0.293 3.826 4.120 -0.002 0.000 0.245 360 V C 2.603 178.642 176.094 -0.091 0.000 1.043 360 V CA 2.069 64.301 62.300 -0.112 0.000 1.014 360 V CB -0.785 30.998 31.823 -0.066 0.000 0.645 360 V HN 0.463 nan 8.190 nan 0.000 0.447 361 K N 0.198 120.575 120.400 -0.037 0.000 2.160 361 K HA -0.182 4.137 4.320 -0.002 0.000 0.206 361 K C 2.052 178.631 176.600 -0.035 0.000 1.047 361 K CA 1.596 57.862 56.287 -0.036 0.000 0.930 361 K CB -0.474 32.024 32.500 -0.004 0.000 0.720 361 K HN 0.557 nan 8.250 nan 0.000 0.450 362 G N 0.159 108.947 108.800 -0.021 0.000 2.426 362 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.214 362 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.214 362 G C 1.364 176.262 174.900 -0.004 0.000 1.156 362 G CA 0.159 45.258 45.100 -0.001 0.000 0.802 362 G HN 0.134 nan 8.290 nan 0.000 0.534 363 L N -0.507 120.686 121.223 -0.049 0.000 2.102 363 L HA 0.218 4.556 4.340 -0.002 0.000 0.202 363 L C 0.631 177.437 176.870 -0.106 0.000 1.076 363 L CA 0.383 55.187 54.840 -0.060 0.000 0.761 363 L CB -0.099 41.885 42.059 -0.125 0.000 0.921 363 L HN 0.051 nan 8.230 nan 0.000 0.444 364 L N 0.000 121.089 121.223 -0.225 0.000 2.825 364 L HA 0.306 4.644 4.340 -0.002 0.000 0.236 364 L C -1.617 175.056 176.870 -0.329 0.000 1.301 364 L CA -1.867 52.755 54.840 -0.363 0.000 0.977 364 L CB -0.215 41.497 42.059 -0.579 0.000 1.300 364 L HN -0.197 nan 8.230 nan 0.000 0.486 365 P HA -0.294 nan 4.420 nan 0.000 0.216 365 P C 1.743 178.833 177.300 -0.350 0.000 1.151 365 P CA 1.412 64.356 63.100 -0.260 0.000 0.953 365 P CB 0.310 31.895 31.700 -0.193 0.000 0.789 366 R N -1.218 118.879 120.500 -0.671 0.000 2.159 366 R HA -0.170 4.168 4.340 -0.002 0.000 0.237 366 R C 2.319 178.358 176.300 -0.436 0.000 1.131 366 R CA 1.726 57.490 56.100 -0.561 0.000 0.982 366 R CB -1.517 28.312 30.300 -0.784 0.000 0.868 366 R HN 0.434 nan 8.270 nan 0.000 0.453 367 H N -1.220 117.578 119.070 -0.453 0.000 2.333 367 H HA -0.057 4.498 4.556 -0.003 0.000 0.302 367 H C 1.754 176.998 175.328 -0.139 0.000 1.075 367 H CA 1.730 57.622 56.048 -0.261 0.000 1.348 367 H CB -0.086 29.484 29.762 -0.320 0.000 1.393 367 H HN 0.162 nan 8.280 nan 0.000 0.509 368 M N 1.570 121.151 119.600 -0.031 0.000 2.149 368 M HA -0.172 4.306 4.480 -0.002 0.000 0.261 368 M C 2.098 178.395 176.300 -0.004 0.000 1.064 368 M CA 1.502 56.796 55.300 -0.009 0.000 1.102 368 M CB -0.333 32.250 32.600 -0.028 0.000 1.369 368 M HN 0.189 nan 8.290 nan 0.000 0.408 369 Q N -0.495 119.280 119.800 -0.042 0.000 2.020 369 Q HA -0.158 4.180 4.340 -0.002 0.000 0.202 369 Q C 2.142 178.147 176.000 0.008 0.000 0.982 369 Q CA 1.931 57.716 55.803 -0.031 0.000 0.838 369 Q CB -0.336 28.369 28.738 -0.056 0.000 0.899 369 Q HN 0.544 nan 8.270 nan 0.000 0.423 370 I N 0.727 121.314 120.570 0.028 0.000 2.335 370 I HA -0.278 3.891 4.170 -0.002 0.000 0.251 370 I C 2.207 178.455 176.117 0.217 0.000 1.129 370 I CA 1.143 62.539 61.300 0.161 0.000 1.402 370 I CB -0.404 37.675 38.000 0.132 0.000 1.069 370 I HN 0.245 nan 8.210 nan 0.000 0.424 371 I N 0.341 120.996 120.570 0.142 0.000 2.233 371 I HA -0.228 3.941 4.170 -0.002 0.000 0.243 371 I C 2.244 178.437 176.117 0.126 0.000 1.093 371 I CA 1.029 62.422 61.300 0.156 0.000 1.380 371 I CB -0.696 37.376 38.000 0.120 0.000 1.067 371 I HN 0.268 nan 8.210 nan 0.000 0.413 372 N N 0.986 119.733 118.700 0.077 0.000 2.137 372 N HA -0.251 4.488 4.740 -0.002 0.000 0.190 372 N C 1.800 177.321 175.510 0.018 0.000 1.017 372 N CA 1.602 54.685 53.050 0.054 0.000 0.859 372 N CB -0.147 38.354 38.487 0.023 0.000 1.002 372 N HN 0.418 nan 8.380 nan 0.000 0.428 373 E N 1.017 121.195 120.200 -0.036 0.000 2.028 373 E HA -0.041 4.307 4.350 -0.002 0.000 0.191 373 E C 2.105 178.612 176.600 -0.155 0.000 0.988 373 E CA 0.829 57.096 56.400 -0.222 0.000 0.799 373 E CB -0.234 29.163 29.700 -0.504 0.000 0.755 373 E HN 0.276 nan 8.360 nan 0.000 0.447 374 I N 0.932 121.556 120.570 0.089 0.000 2.118 374 I HA -0.362 3.807 4.170 -0.002 0.000 0.241 374 I C 2.431 178.642 176.117 0.156 0.000 1.070 374 I CA 1.578 62.990 61.300 0.187 0.000 1.327 374 I CB -0.588 37.602 38.000 0.317 0.000 1.034 374 I HN 0.280 nan 8.210 nan 0.000 0.405 375 N N 0.642 119.461 118.700 0.199 0.000 2.018 375 N HA -0.203 4.535 4.740 -0.002 0.000 0.196 375 N C 1.775 177.486 175.510 0.336 0.000 1.043 375 N CA 2.511 55.759 53.050 0.330 0.000 0.856 375 N CB -0.530 38.124 38.487 0.278 0.000 1.042 375 N HN 0.198 nan 8.380 nan 0.000 0.423 376 T N 1.364 116.005 114.554 0.145 0.000 2.592 376 T HA -0.213 4.136 4.350 -0.002 0.000 0.267 376 T C 1.656 176.362 174.700 0.011 0.000 1.060 376 T CA 2.053 64.174 62.100 0.036 0.000 1.167 376 T CB -0.326 68.504 68.868 -0.064 0.000 0.863 376 T HN 0.480 nan 8.240 nan 0.000 0.431 377 R N 0.005 120.495 120.500 -0.016 0.000 2.285 377 R HA 0.021 4.359 4.340 -0.002 0.000 0.213 377 R C 2.059 178.447 176.300 0.148 0.000 1.068 377 R CA 0.825 56.916 56.100 -0.016 0.000 1.004 377 R CB -0.716 29.512 30.300 -0.120 0.000 0.873 377 R HN 0.385 nan 8.270 nan 0.000 0.467 378 F N 2.821 122.822 119.950 0.085 0.000 2.187 378 F HA 0.057 4.582 4.527 -0.003 0.000 0.295 378 F C 2.265 178.197 175.800 0.219 0.000 1.091 378 F CA 0.668 58.804 58.000 0.227 0.000 1.308 378 F CB -0.225 39.002 39.000 0.378 0.000 1.030 378 F HN -0.167 nan 8.300 nan 0.000 0.487 379 K N -0.472 119.956 120.400 0.047 0.000 2.160 379 K HA -0.187 4.131 4.320 -0.002 0.000 0.206 379 K C 1.897 178.264 176.600 -0.388 0.000 1.047 379 K CA 1.874 57.765 56.287 -0.659 0.000 0.930 379 K CB -0.276 31.682 32.500 -0.904 0.000 0.720 379 K HN 0.244 nan 8.250 nan 0.000 0.450 380 T N 1.378 115.821 114.554 -0.185 0.000 2.788 380 T HA -0.136 4.212 4.350 -0.002 0.000 0.268 380 T C 1.559 176.200 174.700 -0.099 0.000 1.044 380 T CA 1.029 63.050 62.100 -0.131 0.000 1.139 380 T CB -0.077 68.748 68.868 -0.072 0.000 0.867 380 T HN 0.129 nan 8.240 nan 0.000 0.454 381 L N 1.362 122.549 121.223 -0.059 0.000 2.007 381 L HA 0.044 4.382 4.340 -0.002 0.000 0.205 381 L C 2.422 179.218 176.870 -0.123 0.000 1.073 381 L CA 1.530 56.353 54.840 -0.029 0.000 0.744 381 L CB -0.863 41.276 42.059 0.133 0.000 0.898 381 L HN 0.068 nan 8.230 nan 0.000 0.435 382 V N -0.123 119.645 119.914 -0.243 0.000 2.660 382 V HA -0.249 3.870 4.120 -0.002 0.000 0.257 382 V C 2.487 178.551 176.094 -0.049 0.000 1.088 382 V CA 1.606 63.832 62.300 -0.123 0.000 1.106 382 V CB -0.982 30.817 31.823 -0.039 0.000 0.686 382 V HN 0.502 nan 8.190 nan 0.000 0.481 383 E N 0.278 120.401 120.200 -0.129 0.000 2.347 383 E HA -0.129 4.219 4.350 -0.002 0.000 0.196 383 E C 1.947 178.499 176.600 -0.081 0.000 1.008 383 E CA 0.891 57.225 56.400 -0.111 0.000 0.852 383 E CB 0.009 29.612 29.700 -0.162 0.000 0.783 383 E HN 0.432 nan 8.360 nan 0.000 0.505 384 K N -1.207 119.135 120.400 -0.096 0.000 2.128 384 K HA 0.139 4.458 4.320 -0.002 0.000 0.202 384 K C 2.041 178.541 176.600 -0.168 0.000 1.050 384 K CA 1.335 57.558 56.287 -0.107 0.000 0.966 384 K CB -0.589 31.855 32.500 -0.094 0.000 0.759 384 K HN 0.029 nan 8.250 nan 0.000 0.454 385 T N -0.405 114.000 114.554 -0.249 0.000 2.701 385 T HA -0.101 4.247 4.350 -0.002 0.000 0.263 385 T C 0.165 174.500 174.700 -0.609 0.000 1.040 385 T CA 1.040 62.814 62.100 -0.543 0.000 1.147 385 T CB -0.046 68.324 68.868 -0.830 0.000 0.865 385 T HN 0.226 nan 8.240 nan 0.000 0.426 386 W N 2.105 123.360 121.300 -0.075 0.000 1.817 386 W HA 0.353 5.008 4.660 -0.009 0.000 0.289 386 W C -3.103 173.383 176.519 -0.056 0.000 0.841 386 W CA -3.093 54.218 57.345 -0.058 0.000 2.216 386 W CB -0.423 29.005 29.460 -0.054 0.000 2.396 386 W HN 0.122 nan 8.180 nan 0.000 0.421 387 P HA 0.011 nan 4.420 nan 0.000 0.261 387 P C 1.108 178.431 177.300 0.040 0.000 1.173 387 P CA 2.362 65.475 63.100 0.021 0.000 0.760 387 P CB 0.725 32.416 31.700 -0.016 0.000 0.783 388 G N 3.430 112.238 108.800 0.013 0.000 2.708 388 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.229 388 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.229 388 G C 0.479 175.401 174.900 0.036 0.000 1.236 388 G CA 0.199 45.306 45.100 0.012 0.000 0.749 388 G HN 0.629 nan 8.290 nan 0.000 0.515 389 D N 2.197 122.638 120.400 0.068 0.000 2.661 389 D HA 0.065 4.704 4.640 -0.002 0.000 0.283 389 D C 1.638 177.979 176.300 0.068 0.000 1.470 389 D CA 0.359 54.396 54.000 0.062 0.000 1.126 389 D CB 0.181 41.024 40.800 0.072 0.000 1.145 389 D HN 0.397 nan 8.370 nan 0.000 0.572 390 E N 3.070 123.309 120.200 0.066 0.000 2.209 390 E HA -0.180 4.168 4.350 -0.002 0.000 0.196 390 E C 1.590 178.269 176.600 0.132 0.000 0.993 390 E CA 0.837 57.307 56.400 0.117 0.000 0.819 390 E CB 0.238 29.995 29.700 0.096 0.000 0.745 390 E HN 0.619 nan 8.360 nan 0.000 0.477 391 K N 0.118 120.541 120.400 0.039 0.000 2.031 391 K HA -0.045 4.273 4.320 -0.002 0.000 0.205 391 K C 2.227 178.768 176.600 -0.098 0.000 1.049 391 K CA 0.914 57.184 56.287 -0.028 0.000 0.939 391 K CB -0.549 31.911 32.500 -0.067 0.000 0.717 391 K HN 0.001 nan 8.250 nan 0.000 0.438 392 V N 2.138 121.958 119.914 -0.156 0.000 2.453 392 V HA -0.236 3.882 4.120 -0.002 0.000 0.252 392 V C 1.910 177.917 176.094 -0.145 0.000 1.068 392 V CA 1.618 63.732 62.300 -0.311 0.000 1.070 392 V CB -0.409 31.078 31.823 -0.559 0.000 0.664 392 V HN 0.539 nan 8.190 nan 0.000 0.461 393 W N 0.776 121.986 121.300 -0.151 0.000 2.353 393 W HA -0.219 4.438 4.660 -0.005 0.000 0.319 393 W C 2.221 178.678 176.519 -0.103 0.000 1.207 393 W CA 1.585 58.876 57.345 -0.089 0.000 1.291 393 W CB -0.476 28.979 29.460 -0.009 0.000 1.159 393 W HN 0.357 nan 8.180 nan 0.000 0.478 394 A N 0.730 123.365 122.820 -0.309 0.000 2.285 394 A HA -0.199 4.120 4.320 -0.002 0.000 0.214 394 A C 1.829 179.067 177.584 -0.576 0.000 1.188 394 A CA 1.629 53.219 52.037 -0.744 0.000 0.707 394 A CB -0.543 18.133 19.000 -0.541 0.000 0.771 394 A HN 0.420 nan 8.150 nan 0.000 0.488 395 K N -1.716 118.446 120.400 -0.397 0.000 2.367 395 K HA 0.222 4.541 4.320 -0.002 0.000 0.195 395 K C 0.322 176.788 176.600 -0.223 0.000 1.060 395 K CA 0.131 56.263 56.287 -0.259 0.000 1.022 395 K CB 0.294 32.651 32.500 -0.239 0.000 0.894 395 K HN 0.367 nan 8.250 nan 0.000 0.540 396 L N 0.287 121.310 121.223 -0.333 0.000 2.701 396 L HA 0.269 4.607 4.340 -0.002 0.000 0.238 396 L C 0.607 177.452 176.870 -0.042 0.000 1.106 396 L CA 0.070 54.803 54.840 -0.177 0.000 0.898 396 L CB -0.037 41.903 42.059 -0.199 0.000 1.188 396 L HN -0.105 nan 8.230 nan 0.000 0.508 397 A N -0.117 122.295 122.820 -0.680 0.000 2.522 397 A HA 0.280 4.598 4.320 -0.002 0.000 0.256 397 A C 1.505 178.887 177.584 -0.337 0.000 1.086 397 A CA 0.103 51.602 52.037 -0.896 0.000 0.763 397 A CB 0.207 18.454 19.000 -1.256 0.000 1.024 397 A HN 0.058 nan 8.150 nan 0.000 0.502 398 V N 3.354 123.226 119.914 -0.071 0.000 2.358 398 V HA -0.112 4.006 4.120 -0.002 0.000 0.246 398 V C 0.889 176.926 176.094 -0.095 0.000 1.047 398 V CA 1.570 63.859 62.300 -0.018 0.000 1.035 398 V CB -0.579 31.294 31.823 0.083 0.000 0.658 398 V HN 0.599 nan 8.190 nan 0.000 0.452 399 V N 1.212 121.106 119.914 -0.032 0.000 2.448 399 V HA 0.592 4.710 4.120 -0.002 0.000 0.295 399 V C -0.588 175.511 176.094 0.008 0.000 1.025 399 V CA -0.493 61.807 62.300 0.000 0.000 0.859 399 V CB 1.466 33.346 31.823 0.095 0.000 0.988 399 V HN 0.533 nan 8.190 nan 0.000 0.431 400 H N 4.157 123.134 119.070 -0.154 0.000 3.140 400 H HA 0.196 4.752 4.556 -0.000 0.000 0.336 400 H C -0.849 174.487 175.328 0.013 0.000 1.142 400 H CA -0.326 55.666 56.048 -0.094 0.000 1.308 400 H CB 1.985 31.584 29.762 -0.272 0.000 1.970 400 H HN 0.829 nan 8.280 nan 0.000 0.521 401 D N 4.407 124.780 120.400 -0.046 0.000 3.278 401 D HA -0.164 4.475 4.640 -0.002 0.000 0.233 401 D C 0.051 176.416 176.300 0.108 0.000 1.149 401 D CA 1.210 55.259 54.000 0.081 0.000 0.957 401 D CB -0.350 40.599 40.800 0.248 0.000 0.913 401 D HN 0.801 nan 8.370 nan 0.000 0.409 402 K N 0.210 120.647 120.400 0.061 0.000 2.971 402 K HA -0.280 4.039 4.320 -0.002 0.000 0.247 402 K C 0.276 176.950 176.600 0.123 0.000 0.885 402 K CA 1.242 57.577 56.287 0.080 0.000 0.651 402 K CB -0.402 32.138 32.500 0.067 0.000 1.321 402 K HN 0.568 nan 8.250 nan 0.000 0.484 403 Q N -0.672 119.226 119.800 0.162 0.000 2.379 403 Q HA 0.417 4.755 4.340 -0.002 0.000 0.278 403 Q C -0.862 175.302 176.000 0.274 0.000 1.068 403 Q CA -0.947 54.994 55.803 0.230 0.000 0.816 403 Q CB 2.684 31.582 28.738 0.266 0.000 1.387 403 Q HN -0.030 nan 8.270 nan 0.000 0.413 404 V N 0.779 120.886 119.914 0.321 0.000 2.617 404 V HA 0.320 4.439 4.120 -0.002 0.000 0.298 404 V C -0.420 175.966 176.094 0.487 0.000 1.048 404 V CA -0.561 61.927 62.300 0.313 0.000 0.964 404 V CB 1.243 33.234 31.823 0.279 0.000 1.004 404 V HN 0.745 nan 8.190 nan 0.000 0.466 405 H N 4.797 123.931 119.070 0.107 0.000 2.418 405 H HA 0.217 4.771 4.556 -0.004 0.000 0.238 405 H C 0.505 175.869 175.328 0.059 0.000 1.403 405 H CA -0.974 55.118 56.048 0.074 0.000 1.419 405 H CB 0.934 30.733 29.762 0.061 0.000 1.463 405 H HN 0.543 nan 8.280 nan 0.000 0.515 406 M N 0.445 120.162 119.600 0.196 0.000 2.324 406 M HA -0.219 4.260 4.480 -0.002 0.000 0.255 406 M C 2.158 178.452 176.300 -0.011 0.000 1.088 406 M CA 1.085 56.456 55.300 0.119 0.000 1.048 406 M CB -1.136 31.580 32.600 0.192 0.000 1.383 406 M HN 0.615 nan 8.290 nan 0.000 0.418 407 A N 1.039 123.872 122.820 0.021 0.000 1.832 407 A HA -0.120 4.199 4.320 -0.002 0.000 0.214 407 A C 2.072 179.496 177.584 -0.267 0.000 1.204 407 A CA 1.484 53.491 52.037 -0.050 0.000 0.606 407 A CB -0.646 18.498 19.000 0.240 0.000 0.849 407 A HN 0.464 nan 8.150 nan 0.000 0.445 408 N N 0.127 118.766 118.700 -0.101 0.000 2.094 408 N HA -0.178 4.561 4.740 -0.002 0.000 0.191 408 N C 1.579 176.891 175.510 -0.331 0.000 1.023 408 N CA 1.593 54.488 53.050 -0.257 0.000 0.857 408 N CB -0.699 37.850 38.487 0.104 0.000 1.013 408 N HN 0.382 nan 8.380 nan 0.000 0.426 409 L N 1.132 122.250 121.223 -0.175 0.000 2.042 409 L HA -0.147 4.192 4.340 -0.002 0.000 0.210 409 L C 2.251 178.959 176.870 -0.270 0.000 1.076 409 L CA 1.490 56.242 54.840 -0.147 0.000 0.749 409 L CB -0.795 41.233 42.059 -0.051 0.000 0.893 409 L HN 0.158 nan 8.230 nan 0.000 0.432 410 C N -2.002 117.051 119.300 -0.412 0.000 2.453 410 C HA -0.113 4.345 4.460 -0.002 0.000 0.277 410 C C 2.708 177.338 174.990 -0.601 0.000 1.262 410 C CA 0.883 59.566 59.018 -0.558 0.000 1.718 410 C CB -0.779 26.386 27.740 -0.958 0.000 2.031 410 C HN 0.483 nan 8.230 nan 0.000 0.480 411 V N 0.745 120.189 119.914 -0.783 0.000 2.343 411 V HA -0.186 3.933 4.120 -0.002 0.000 0.247 411 V C 2.363 178.105 176.094 -0.586 0.000 1.051 411 V CA 2.133 63.985 62.300 -0.747 0.000 1.036 411 V CB -0.712 30.389 31.823 -1.204 0.000 0.654 411 V HN 0.464 nan 8.190 nan 0.000 0.451 412 V N 0.795 120.400 119.914 -0.515 0.000 2.323 412 V HA -0.072 4.046 4.120 -0.002 0.000 0.244 412 V C 2.484 178.469 176.094 -0.182 0.000 1.041 412 V CA 2.007 64.087 62.300 -0.367 0.000 1.025 412 V CB -1.245 30.341 31.823 -0.396 0.000 0.656 412 V HN 0.599 nan 8.190 nan 0.000 0.451 413 G N -0.560 108.158 108.800 -0.136 0.000 2.848 413 G HA2 0.340 4.299 3.960 -0.002 0.000 0.208 413 G HA3 0.340 4.299 3.960 -0.002 0.000 0.208 413 G C 0.529 175.223 174.900 -0.342 0.000 1.152 413 G CA 0.735 45.709 45.100 -0.210 0.000 0.789 413 G HN 0.659 nan 8.290 nan 0.000 0.531 414 G N -0.911 107.720 108.800 -0.281 0.000 3.140 414 G HA2 0.490 4.448 3.960 -0.002 0.000 0.271 414 G HA3 0.490 4.448 3.960 -0.002 0.000 0.271 414 G C 0.182 174.968 174.900 -0.190 0.000 1.370 414 G CA -0.467 44.519 45.100 -0.190 0.000 1.014 414 G HN 0.230 nan 8.290 nan 0.000 0.541 415 F N -1.521 118.337 119.950 -0.154 0.000 2.680 415 F HA 0.733 5.259 4.527 -0.003 0.000 0.290 415 F C 0.673 176.391 175.800 -0.136 0.000 1.114 415 F CA 0.093 57.995 58.000 -0.164 0.000 1.333 415 F CB 0.402 39.344 39.000 -0.097 0.000 1.091 415 F HN 0.540 nan 8.300 nan 0.000 0.606 416 A N 1.060 123.386 122.820 -0.823 0.000 2.365 416 A HA 0.768 5.086 4.320 -0.002 0.000 0.318 416 A C -1.317 176.048 177.584 -0.365 0.000 1.091 416 A CA -0.639 51.129 52.037 -0.449 0.000 0.763 416 A CB 1.686 20.448 19.000 -0.396 0.000 1.248 416 A HN 0.115 nan 8.150 nan 0.000 0.442 417 V N 4.509 124.209 119.914 -0.357 0.000 2.462 417 V HA 0.332 4.451 4.120 -0.002 0.000 0.288 417 V C -0.710 175.334 176.094 -0.083 0.000 1.020 417 V CA -0.914 61.231 62.300 -0.258 0.000 0.857 417 V CB 1.156 32.648 31.823 -0.553 0.000 1.013 417 V HN 0.999 nan 8.190 nan 0.000 0.431 418 N N 3.066 121.737 118.700 -0.048 0.000 2.384 418 N HA 0.664 5.402 4.740 -0.002 0.000 0.301 418 N C -0.077 175.423 175.510 -0.016 0.000 1.133 418 N CA -0.390 52.663 53.050 0.006 0.000 0.853 418 N CB 3.049 41.512 38.487 -0.039 0.000 1.241 418 N HN 0.552 nan 8.380 nan 0.000 0.502 419 G N -0.950 107.864 108.800 0.023 0.000 2.521 419 G HA2 0.406 4.364 3.960 -0.002 0.000 0.323 419 G HA3 0.406 4.364 3.960 -0.002 0.000 0.323 419 G C 0.850 175.869 174.900 0.198 0.000 1.211 419 G CA -0.627 44.528 45.100 0.092 0.000 0.979 419 G HN 0.524 nan 8.290 nan 0.000 0.490 420 V N -3.425 116.729 119.914 0.400 0.000 3.647 420 V HA 0.643 4.762 4.120 -0.002 0.000 0.279 420 V C 0.686 176.895 176.094 0.192 0.000 1.314 420 V CA 0.485 62.939 62.300 0.256 0.000 1.125 420 V CB -0.992 30.966 31.823 0.225 0.000 0.907 420 V HN 1.496 nan 8.190 nan 0.000 0.434 421 A N -1.073 121.859 122.820 0.187 0.000 2.585 421 A HA 0.777 5.096 4.320 -0.002 0.000 0.299 421 A C 0.779 178.430 177.584 0.111 0.000 1.047 421 A CA -0.013 52.105 52.037 0.134 0.000 0.723 421 A CB 0.522 19.599 19.000 0.129 0.000 1.275 421 A HN 1.211 nan 8.150 nan 0.000 0.408 422 A N 0.959 123.820 122.820 0.068 0.000 1.865 422 A HA -0.261 4.058 4.320 -0.002 0.000 0.244 422 A C 2.061 179.667 177.584 0.035 0.000 1.984 422 A CA 2.940 55.001 52.037 0.040 0.000 0.785 422 A CB -1.066 17.954 19.000 0.032 0.000 0.849 422 A HN 2.129 nan 8.150 nan 0.000 0.501 423 L N -1.328 119.923 121.223 0.047 0.000 2.017 423 L HA -0.108 4.231 4.340 -0.002 0.000 0.208 423 L C 2.306 179.201 176.870 0.041 0.000 1.073 423 L CA 3.070 57.929 54.840 0.032 0.000 0.745 423 L CB -1.140 40.937 42.059 0.030 0.000 0.894 423 L HN 0.676 nan 8.230 nan 0.000 0.432 424 H N -0.500 118.561 119.070 -0.015 0.000 2.251 424 H HA -0.157 4.398 4.556 -0.001 0.000 0.294 424 H C 2.286 177.599 175.328 -0.024 0.000 1.078 424 H CA 2.207 58.241 56.048 -0.024 0.000 1.246 424 H CB -0.590 29.167 29.762 -0.008 0.000 1.358 424 H HN 0.402 nan 8.280 nan 0.000 0.488 425 S N -0.221 115.378 115.700 -0.169 0.000 2.381 425 S HA -0.291 4.177 4.470 -0.002 0.000 0.230 425 S C 1.936 176.431 174.600 -0.175 0.000 1.052 425 S CA 1.807 59.891 58.200 -0.194 0.000 1.068 425 S CB -0.652 62.530 63.200 -0.031 0.000 0.918 425 S HN 0.700 nan 8.310 nan 0.000 0.448 426 D N 0.809 121.139 120.400 -0.117 0.000 2.123 426 D HA -0.083 4.556 4.640 -0.002 0.000 0.196 426 D C 1.837 178.042 176.300 -0.158 0.000 0.992 426 D CA 1.040 54.968 54.000 -0.119 0.000 0.833 426 D CB -0.243 40.512 40.800 -0.075 0.000 0.954 426 D HN 0.347 nan 8.370 nan 0.000 0.455 427 L N -0.437 120.689 121.223 -0.161 0.000 2.027 427 L HA -0.121 4.218 4.340 -0.002 0.000 0.206 427 L C 2.622 179.361 176.870 -0.220 0.000 1.074 427 L CA 0.509 55.254 54.840 -0.159 0.000 0.745 427 L CB -0.441 41.555 42.059 -0.106 0.000 0.898 427 L HN 0.032 nan 8.230 nan 0.000 0.433 428 V N -0.239 119.482 119.914 -0.321 0.000 2.324 428 V HA -0.290 3.828 4.120 -0.002 0.000 0.250 428 V C 2.362 178.328 176.094 -0.213 0.000 1.060 428 V CA 1.751 63.859 62.300 -0.319 0.000 1.042 428 V CB -0.311 31.323 31.823 -0.315 0.000 0.650 428 V HN 0.246 nan 8.190 nan 0.000 0.450 429 V N -0.862 118.916 119.914 -0.227 0.000 2.970 429 V HA -0.140 3.979 4.120 -0.002 0.000 0.260 429 V C 2.022 177.933 176.094 -0.306 0.000 1.100 429 V CA 1.702 63.790 62.300 -0.354 0.000 1.122 429 V CB -0.559 30.991 31.823 -0.455 0.000 0.721 429 V HN 0.577 nan 8.190 nan 0.000 0.483 430 K N -1.139 119.132 120.400 -0.214 0.000 2.435 430 K HA 0.129 4.447 4.320 -0.002 0.000 0.199 430 K C 0.861 177.392 176.600 -0.114 0.000 1.153 430 K CA 0.397 56.589 56.287 -0.158 0.000 0.974 430 K CB 0.484 32.899 32.500 -0.142 0.000 0.997 430 K HN 0.332 nan 8.250 nan 0.000 0.547 431 D N 0.018 120.343 120.400 -0.126 0.000 2.469 431 D HA 0.014 4.653 4.640 -0.002 0.000 0.240 431 D C 1.399 177.625 176.300 -0.122 0.000 1.087 431 D CA 0.122 54.058 54.000 -0.108 0.000 0.876 431 D CB 0.387 41.125 40.800 -0.103 0.000 1.160 431 D HN -0.053 nan 8.370 nan 0.000 0.497 432 L N -0.952 120.152 121.223 -0.199 0.000 2.189 432 L HA 0.295 4.633 4.340 -0.002 0.000 0.199 432 L C 0.362 177.107 176.870 -0.209 0.000 1.074 432 L CA 1.324 55.955 54.840 -0.348 0.000 0.783 432 L CB 0.109 41.779 42.059 -0.648 0.000 0.955 432 L HN -0.132 nan 8.230 nan 0.000 0.460 433 F N 0.194 120.204 119.950 0.101 0.000 2.818 433 F HA 0.316 4.840 4.527 -0.005 0.000 0.369 433 F C -1.478 174.362 175.800 0.067 0.000 1.327 433 F CA -1.478 56.659 58.000 0.227 0.000 1.211 433 F CB 0.129 39.364 39.000 0.391 0.000 1.036 433 F HN 0.048 nan 8.300 nan 0.000 0.510 434 P HA -0.214 nan 4.420 nan 0.000 0.214 434 P C 1.060 178.411 177.300 0.085 0.000 1.163 434 P CA 1.747 64.864 63.100 0.029 0.000 0.889 434 P CB 0.411 32.096 31.700 -0.024 0.000 0.790 435 E N -0.153 120.064 120.200 0.029 0.000 2.026 435 E HA -0.222 4.126 4.350 -0.002 0.000 0.206 435 E C 2.289 178.925 176.600 0.060 0.000 1.028 435 E CA 1.677 58.050 56.400 -0.045 0.000 0.845 435 E CB -1.653 27.870 29.700 -0.295 0.000 0.772 435 E HN 0.381 nan 8.360 nan 0.000 0.462 436 Y N -0.036 120.359 120.300 0.158 0.000 2.181 436 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 436 Y C 2.593 178.605 175.900 0.187 0.000 1.179 436 Y CA 1.803 60.000 58.100 0.161 0.000 1.179 436 Y CB -0.418 38.308 38.460 0.444 0.000 0.973 436 Y HN 0.359 nan 8.280 nan 0.000 0.519 437 H N 0.736 119.873 119.070 0.112 0.000 2.352 437 H HA -0.196 4.358 4.556 -0.004 0.000 0.299 437 H C 1.831 177.199 175.328 0.067 0.000 1.097 437 H CA 2.102 58.087 56.048 -0.105 0.000 1.311 437 H CB 0.048 29.583 29.762 -0.379 0.000 1.377 437 H HN 0.504 nan 8.280 nan 0.000 0.504 438 Q N 0.282 120.105 119.800 0.039 0.000 2.002 438 Q HA -0.154 4.185 4.340 -0.002 0.000 0.204 438 Q C 2.880 178.806 176.000 -0.124 0.000 0.988 438 Q CA 1.711 57.507 55.803 -0.012 0.000 0.843 438 Q CB -0.057 28.756 28.738 0.125 0.000 0.908 438 Q HN 0.462 nan 8.270 nan 0.000 0.420 439 L N -0.780 120.309 121.223 -0.224 0.000 2.043 439 L HA -0.165 4.173 4.340 -0.002 0.000 0.212 439 L C 0.787 177.415 176.870 -0.404 0.000 1.075 439 L CA 0.890 55.418 54.840 -0.520 0.000 0.752 439 L CB -0.262 41.138 42.059 -1.097 0.000 0.891 439 L HN 0.379 nan 8.230 nan 0.000 0.432 440 W N -0.419 120.993 121.300 0.187 0.000 2.237 440 W HA 0.292 4.954 4.660 0.004 0.000 0.289 440 W C -2.004 174.605 176.519 0.151 0.000 0.988 440 W CA -1.854 55.594 57.345 0.171 0.000 1.671 440 W CB -0.431 29.166 29.460 0.228 0.000 1.746 440 W HN -0.065 nan 8.180 nan 0.000 0.380 441 P HA -0.200 nan 4.420 nan 0.000 0.215 441 P C 0.842 178.239 177.300 0.162 0.000 1.157 441 P CA 1.683 64.631 63.100 -0.253 0.000 0.863 441 P CB 0.290 31.774 31.700 -0.360 0.000 0.787 442 N N 0.218 119.011 118.700 0.155 0.000 2.535 442 N HA -0.069 4.670 4.740 -0.002 0.000 0.203 442 N C 1.429 176.988 175.510 0.081 0.000 1.301 442 N CA 0.453 53.586 53.050 0.137 0.000 0.859 442 N CB -0.256 38.309 38.487 0.130 0.000 1.055 442 N HN 0.413 nan 8.380 nan 0.000 0.457 443 K N 0.064 120.527 120.400 0.104 0.000 2.360 443 K HA 0.132 4.451 4.320 -0.002 0.000 0.196 443 K C -0.601 175.681 176.600 -0.530 0.000 1.049 443 K CA -0.018 56.183 56.287 -0.143 0.000 1.049 443 K CB 0.388 32.840 32.500 -0.080 0.000 0.881 443 K HN -0.109 nan 8.250 nan 0.000 0.542 444 F N 1.335 121.156 119.950 -0.215 0.000 2.427 444 F HA 0.361 4.892 4.527 0.006 0.000 0.346 444 F C 0.884 176.458 175.800 -0.378 0.000 1.120 444 F CA -0.772 57.106 58.000 -0.202 0.000 1.033 444 F CB 1.068 40.149 39.000 0.136 0.000 1.126 444 F HN -0.027 nan 8.300 nan 0.000 0.462 445 H N 1.150 120.312 119.070 0.153 0.000 3.878 445 H HA 0.505 5.061 4.556 -0.001 0.000 0.332 445 H C -0.781 174.552 175.328 0.008 0.000 1.613 445 H CA -0.889 55.186 56.048 0.045 0.000 1.413 445 H CB 1.347 31.071 29.762 -0.064 0.000 1.066 445 H HN 0.522 nan 8.280 nan 0.000 0.797 446 N N -0.217 118.539 118.700 0.093 0.000 3.217 446 N HA 0.128 4.867 4.740 -0.002 0.000 0.236 446 N C -2.250 173.171 175.510 -0.148 0.000 1.136 446 N CA -0.075 52.967 53.050 -0.015 0.000 0.997 446 N CB 1.792 40.284 38.487 0.009 0.000 1.658 446 N HN 0.237 nan 8.380 nan 0.000 0.527 447 V N 2.054 121.856 119.914 -0.186 0.000 2.675 447 V HA 0.208 4.327 4.120 -0.002 0.000 0.266 447 V C 0.126 176.185 176.094 -0.058 0.000 0.974 447 V CA -0.639 61.478 62.300 -0.306 0.000 0.890 447 V CB 0.976 32.249 31.823 -0.918 0.000 1.055 447 V HN 0.708 nan 8.190 nan 0.000 0.477 448 T N 4.080 118.633 114.554 -0.002 0.000 2.933 448 T HA 0.047 4.396 4.350 -0.002 0.000 0.306 448 T C 0.659 175.475 174.700 0.192 0.000 1.045 448 T CA 0.493 62.648 62.100 0.091 0.000 1.143 448 T CB 0.113 69.006 68.868 0.042 0.000 1.003 448 T HN 0.609 nan 8.240 nan 0.000 0.540 449 N N 0.935 119.787 118.700 0.253 0.000 2.288 449 N HA 0.540 5.279 4.740 -0.002 0.000 0.237 449 N C 0.455 176.138 175.510 0.288 0.000 1.311 449 N CA 0.057 53.296 53.050 0.314 0.000 0.909 449 N CB 0.494 39.090 38.487 0.182 0.000 1.167 449 N HN 0.889 nan 8.380 nan 0.000 0.476 450 G N -1.185 107.773 108.800 0.263 0.000 2.673 450 G HA2 0.518 4.476 3.960 -0.002 0.000 0.292 450 G HA3 0.518 4.476 3.960 -0.002 0.000 0.292 450 G C -1.266 173.715 174.900 0.133 0.000 1.450 450 G CA -0.672 44.575 45.100 0.246 0.000 0.837 450 G HN 0.533 nan 8.290 nan 0.000 0.505 451 I N -1.434 119.207 120.570 0.118 0.000 2.607 451 I HA 0.782 4.951 4.170 -0.002 0.000 0.305 451 I C 0.331 176.575 176.117 0.211 0.000 0.995 451 I CA -1.021 60.325 61.300 0.076 0.000 1.148 451 I CB 2.129 40.077 38.000 -0.086 0.000 1.323 451 I HN 0.384 nan 8.210 nan 0.000 0.461 452 T N 5.851 120.593 114.554 0.313 0.000 2.737 452 T HA 0.371 4.720 4.350 -0.002 0.000 0.296 452 T C -1.456 173.382 174.700 0.229 0.000 0.922 452 T CA -1.489 60.755 62.100 0.240 0.000 1.079 452 T CB 0.448 69.416 68.868 0.167 0.000 0.892 452 T HN 0.678 nan 8.240 nan 0.000 0.514 453 P HA 0.017 nan 4.420 nan 0.000 0.239 453 P C 0.949 178.238 177.300 -0.019 0.000 1.184 453 P CA 0.309 63.486 63.100 0.128 0.000 0.760 453 P CB 0.380 32.170 31.700 0.149 0.000 0.884 454 R N 0.547 120.969 120.500 -0.131 0.000 2.046 454 R HA 0.060 4.399 4.340 -0.002 0.000 0.223 454 R C 2.731 178.910 176.300 -0.202 0.000 1.179 454 R CA 1.436 57.384 56.100 -0.252 0.000 0.952 454 R CB -1.158 28.976 30.300 -0.277 0.000 0.843 454 R HN 0.027 nan 8.270 nan 0.000 0.439 455 R N -0.619 119.717 120.500 -0.273 0.000 2.081 455 R HA -0.120 4.218 4.340 -0.002 0.000 0.235 455 R C 0.827 176.749 176.300 -0.630 0.000 1.131 455 R CA 1.640 57.436 56.100 -0.507 0.000 0.960 455 R CB -0.269 29.598 30.300 -0.722 0.000 0.856 455 R HN 0.281 nan 8.270 nan 0.000 0.436 456 W N 0.012 121.300 121.300 -0.019 0.000 3.447 456 W HA 0.321 4.980 4.660 -0.001 0.000 0.348 456 W C 0.776 177.303 176.519 0.013 0.000 1.220 456 W CA -0.439 56.902 57.345 -0.007 0.000 1.809 456 W CB 0.274 29.732 29.460 -0.003 0.000 1.040 456 W HN 0.159 nan 8.180 nan 0.000 0.735 457 I N -2.011 118.626 120.570 0.111 0.000 2.386 457 I HA -0.150 4.018 4.170 -0.002 0.000 0.296 457 I C 2.031 178.212 176.117 0.107 0.000 0.816 457 I CA -0.446 60.934 61.300 0.134 0.000 2.448 457 I CB -0.176 37.971 38.000 0.246 0.000 1.797 457 I HN -0.422 nan 8.210 nan 0.000 0.443 458 K N 1.309 121.816 120.400 0.179 0.000 2.366 458 K HA -0.270 4.048 4.320 -0.002 0.000 0.202 458 K C 1.689 178.280 176.600 -0.015 0.000 1.045 458 K CA 2.144 58.506 56.287 0.125 0.000 0.934 458 K CB 0.152 32.620 32.500 -0.054 0.000 0.746 458 K HN 0.377 nan 8.250 nan 0.000 0.470 459 Q N -0.705 119.054 119.800 -0.069 0.000 2.530 459 Q HA -0.054 4.284 4.340 -0.002 0.000 0.198 459 Q C 2.269 178.200 176.000 -0.115 0.000 0.956 459 Q CA 0.746 56.477 55.803 -0.120 0.000 0.870 459 Q CB 0.000 28.634 28.738 -0.174 0.000 1.050 459 Q HN 0.551 nan 8.270 nan 0.000 0.604 460 C N 0.926 120.149 119.300 -0.128 0.000 2.443 460 C HA 0.165 4.624 4.460 -0.002 0.000 0.290 460 C C 0.884 175.843 174.990 -0.051 0.000 1.476 460 C CA 0.264 59.224 59.018 -0.096 0.000 1.772 460 C CB -1.001 26.691 27.740 -0.080 0.000 1.714 460 C HN 0.403 nan 8.230 nan 0.000 0.562 461 N N 0.569 119.242 118.700 -0.045 0.000 2.651 461 N HA 0.236 4.975 4.740 -0.002 0.000 0.277 461 N C -1.491 173.986 175.510 -0.055 0.000 1.787 461 N CA -1.436 51.584 53.050 -0.051 0.000 0.818 461 N CB 0.572 39.031 38.487 -0.046 0.000 1.316 461 N HN 0.228 nan 8.380 nan 0.000 0.503 462 P HA -0.215 nan 4.420 nan 0.000 0.216 462 P C 1.152 178.418 177.300 -0.058 0.000 1.154 462 P CA 1.378 64.442 63.100 -0.061 0.000 0.865 462 P CB 0.352 31.991 31.700 -0.101 0.000 0.789 463 A N 0.164 122.935 122.820 -0.082 0.000 1.865 463 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 463 A C 2.288 179.787 177.584 -0.141 0.000 1.191 463 A CA 1.913 53.889 52.037 -0.101 0.000 0.623 463 A CB -1.720 17.214 19.000 -0.110 0.000 0.826 463 A HN 0.217 nan 8.150 nan 0.000 0.444 464 L N -0.285 120.832 121.223 -0.178 0.000 2.187 464 L HA -0.070 4.268 4.340 -0.002 0.000 0.213 464 L C 2.512 179.228 176.870 -0.257 0.000 1.100 464 L CA 2.000 56.685 54.840 -0.259 0.000 0.765 464 L CB -0.878 41.015 42.059 -0.277 0.000 0.904 464 L HN 0.369 nan 8.230 nan 0.000 0.437 465 A N -0.397 122.341 122.820 -0.137 0.000 1.855 465 A HA -0.017 4.302 4.320 -0.002 0.000 0.215 465 A C 2.490 180.073 177.584 -0.002 0.000 1.191 465 A CA 1.677 53.700 52.037 -0.023 0.000 0.613 465 A CB -1.261 17.885 19.000 0.244 0.000 0.829 465 A HN 0.532 nan 8.150 nan 0.000 0.442 466 A N -0.469 122.352 122.820 0.001 0.000 1.917 466 A HA -0.137 4.181 4.320 -0.002 0.000 0.219 466 A C 2.141 179.694 177.584 -0.052 0.000 1.182 466 A CA 1.965 54.004 52.037 0.003 0.000 0.633 466 A CB -0.710 18.277 19.000 -0.021 0.000 0.819 466 A HN 0.684 nan 8.150 nan 0.000 0.448 467 L N -0.075 121.069 121.223 -0.131 0.000 1.989 467 L HA -0.143 4.195 4.340 -0.002 0.000 0.211 467 L C 2.342 179.106 176.870 -0.177 0.000 1.071 467 L CA 1.888 56.627 54.840 -0.169 0.000 0.749 467 L CB -0.691 41.212 42.059 -0.260 0.000 0.890 467 L HN 0.439 nan 8.230 nan 0.000 0.431 468 L N -0.785 120.258 121.223 -0.299 0.000 2.127 468 L HA -0.222 4.117 4.340 -0.002 0.000 0.211 468 L C 2.269 178.999 176.870 -0.234 0.000 1.089 468 L CA 1.165 55.733 54.840 -0.453 0.000 0.757 468 L CB -0.960 40.437 42.059 -1.102 0.000 0.899 468 L HN 0.296 nan 8.230 nan 0.000 0.434 469 D N 0.796 121.189 120.400 -0.011 0.000 2.087 469 D HA -0.204 4.435 4.640 -0.002 0.000 0.192 469 D C 2.163 178.519 176.300 0.093 0.000 0.993 469 D CA 1.740 55.851 54.000 0.185 0.000 0.828 469 D CB -0.105 40.811 40.800 0.192 0.000 0.968 469 D HN 0.469 nan 8.370 nan 0.000 0.448 470 K N 0.239 120.662 120.400 0.037 0.000 2.062 470 K HA 0.038 4.356 4.320 -0.002 0.000 0.205 470 K C 2.011 178.629 176.600 0.029 0.000 1.051 470 K CA 1.175 57.487 56.287 0.042 0.000 0.941 470 K CB -0.258 32.264 32.500 0.037 0.000 0.719 470 K HN -0.124 nan 8.250 nan 0.000 0.440 471 S N 1.046 116.707 115.700 -0.065 0.000 2.507 471 S HA 0.077 4.546 4.470 -0.002 0.000 0.235 471 S C 0.605 175.133 174.600 -0.120 0.000 0.988 471 S CA 0.477 58.539 58.200 -0.230 0.000 0.944 471 S CB -0.281 62.542 63.200 -0.627 0.000 0.762 471 S HN 0.207 nan 8.310 nan 0.000 0.526 472 L N 1.230 122.441 121.223 -0.020 0.000 2.385 472 L HA 0.469 4.808 4.340 -0.002 0.000 0.273 472 L C -0.252 176.685 176.870 0.112 0.000 0.990 472 L CA -0.665 54.212 54.840 0.062 0.000 0.821 472 L CB 1.686 43.785 42.059 0.066 0.000 1.279 472 L HN -0.196 nan 8.230 nan 0.000 0.412 473 Q N 3.737 123.605 119.800 0.113 0.000 2.620 473 Q HA 0.218 4.557 4.340 -0.002 0.000 0.333 473 Q C -1.115 174.944 176.000 0.099 0.000 1.017 473 Q CA 0.035 55.899 55.803 0.102 0.000 0.962 473 Q CB 0.000 28.791 28.738 0.088 0.000 1.297 473 Q HN 0.579 nan 8.270 nan 0.000 0.419 474 K N -2.317 118.158 120.400 0.125 0.000 2.653 474 K HA 0.302 4.620 4.320 -0.002 0.000 0.274 474 K C -1.075 175.621 176.600 0.161 0.000 0.974 474 K CA -0.991 55.365 56.287 0.115 0.000 0.868 474 K CB 0.477 33.035 32.500 0.095 0.000 1.408 474 K HN -0.129 nan 8.250 nan 0.000 0.397 475 E N 2.157 122.420 120.200 0.104 0.000 2.442 475 E HA -0.006 4.342 4.350 -0.002 0.000 0.262 475 E C 0.020 176.664 176.600 0.073 0.000 1.004 475 E CA 0.421 56.847 56.400 0.043 0.000 0.928 475 E CB 0.305 29.996 29.700 -0.016 0.000 0.937 475 E HN 0.690 nan 8.360 nan 0.000 0.446 476 W N 3.260 124.585 121.300 0.042 0.000 3.063 476 W HA 0.329 4.987 4.660 -0.003 0.000 0.246 476 W C 1.284 177.797 176.519 -0.010 0.000 1.145 476 W CA 0.400 57.756 57.345 0.019 0.000 1.510 476 W CB -0.995 28.471 29.460 0.010 0.000 0.904 476 W HN 0.602 nan 8.180 nan 0.000 0.679 477 A N 3.021 125.029 122.820 -1.355 0.000 1.985 477 A HA -0.320 3.999 4.320 -0.002 0.000 0.223 477 A C 1.278 178.528 177.584 -0.557 0.000 1.189 477 A CA 2.244 53.542 52.037 -1.231 0.000 0.658 477 A CB -1.764 16.326 19.000 -1.518 0.000 0.820 477 A HN 0.683 nan 8.150 nan 0.000 0.464 478 N N -2.595 115.919 118.700 -0.310 0.000 2.644 478 N HA 0.408 5.147 4.740 -0.002 0.000 0.313 478 N C -0.814 174.685 175.510 -0.019 0.000 1.863 478 N CA 0.240 53.227 53.050 -0.106 0.000 0.918 478 N CB 0.656 39.159 38.487 0.026 0.000 1.320 478 N HN 0.110 nan 8.380 nan 0.000 0.490 479 D N 0.470 120.877 120.400 0.012 0.000 4.569 479 D HA -0.061 4.578 4.640 -0.002 0.000 0.176 479 D C 0.282 176.660 176.300 0.129 0.000 1.237 479 D CA -0.385 53.654 54.000 0.065 0.000 1.009 479 D CB -0.445 40.392 40.800 0.062 0.000 1.341 479 D HN 0.154 nan 8.370 nan 0.000 0.874 480 L N 0.619 121.930 121.223 0.148 0.000 2.563 480 L HA -0.035 4.304 4.340 -0.002 0.000 0.230 480 L C 1.087 178.050 176.870 0.154 0.000 1.162 480 L CA 1.694 56.660 54.840 0.209 0.000 0.812 480 L CB -0.266 41.909 42.059 0.193 0.000 0.935 480 L HN 0.195 nan 8.230 nan 0.000 0.451 481 D N -1.975 118.492 120.400 0.111 0.000 2.363 481 D HA -0.116 4.522 4.640 -0.002 0.000 0.220 481 D C 1.981 178.333 176.300 0.087 0.000 0.994 481 D CA 0.278 54.325 54.000 0.078 0.000 0.890 481 D CB 0.109 40.940 40.800 0.050 0.000 0.906 481 D HN 0.285 nan 8.370 nan 0.000 0.530 482 Q N -0.131 119.743 119.800 0.123 0.000 2.187 482 Q HA 0.013 4.352 4.340 -0.002 0.000 0.199 482 Q C 1.742 177.802 176.000 0.100 0.000 0.957 482 Q CA 0.376 56.254 55.803 0.125 0.000 0.857 482 Q CB -0.119 28.729 28.738 0.183 0.000 0.929 482 Q HN 0.314 nan 8.270 nan 0.000 0.453 483 L N 0.722 122.005 121.223 0.099 0.000 2.450 483 L HA -0.191 4.148 4.340 -0.002 0.000 0.225 483 L C 2.048 178.937 176.870 0.031 0.000 1.145 483 L CA 0.763 55.623 54.840 0.033 0.000 0.801 483 L CB -0.771 41.307 42.059 0.031 0.000 0.924 483 L HN 0.189 nan 8.230 nan 0.000 0.447 484 I N -0.175 120.424 120.570 0.047 0.000 2.394 484 I HA -0.239 3.930 4.170 -0.002 0.000 0.251 484 I C 1.723 177.864 176.117 0.040 0.000 1.136 484 I CA 1.325 62.648 61.300 0.038 0.000 1.425 484 I CB -0.468 37.553 38.000 0.036 0.000 1.079 484 I HN 0.327 nan 8.210 nan 0.000 0.425 485 N N 0.025 118.758 118.700 0.055 0.000 2.626 485 N HA -0.023 4.716 4.740 -0.002 0.000 0.193 485 N C 1.356 176.951 175.510 0.142 0.000 1.213 485 N CA 0.343 53.446 53.050 0.089 0.000 0.914 485 N CB -0.156 38.395 38.487 0.107 0.000 0.994 485 N HN 0.396 nan 8.380 nan 0.000 0.447 486 L N 0.119 121.380 121.223 0.065 0.000 2.567 486 L HA 0.073 4.411 4.340 -0.002 0.000 0.225 486 L C 1.791 178.685 176.870 0.039 0.000 1.119 486 L CA 0.353 55.210 54.840 0.029 0.000 0.871 486 L CB -0.019 42.014 42.059 -0.044 0.000 1.036 486 L HN 0.270 nan 8.230 nan 0.000 0.459 487 E N 1.194 121.409 120.200 0.025 0.000 2.085 487 E HA -0.267 4.081 4.350 -0.002 0.000 0.194 487 E C 1.984 178.550 176.600 -0.056 0.000 0.994 487 E CA 1.627 58.014 56.400 -0.022 0.000 0.801 487 E CB 0.013 29.700 29.700 -0.021 0.000 0.743 487 E HN 0.573 nan 8.360 nan 0.000 0.453 488 K N 0.264 120.628 120.400 -0.061 0.000 2.147 488 K HA -0.122 4.197 4.320 -0.002 0.000 0.205 488 K C 1.402 177.814 176.600 -0.314 0.000 1.049 488 K CA 1.279 57.449 56.287 -0.195 0.000 0.936 488 K CB -0.374 31.957 32.500 -0.280 0.000 0.722 488 K HN 0.027 nan 8.250 nan 0.000 0.446 489 F N 1.362 121.064 119.950 -0.414 0.000 2.754 489 F HA 0.210 4.735 4.527 -0.003 0.000 0.303 489 F C 1.673 177.102 175.800 -0.618 0.000 1.196 489 F CA -0.033 57.546 58.000 -0.702 0.000 1.416 489 F CB 0.071 38.148 39.000 -1.540 0.000 1.092 489 F HN 0.121 nan 8.300 nan 0.000 0.541 490 A N -1.053 121.652 122.820 -0.191 0.000 2.345 490 A HA 0.117 4.435 4.320 -0.002 0.000 0.225 490 A C 1.613 179.156 177.584 -0.069 0.000 1.243 490 A CA 0.345 52.315 52.037 -0.113 0.000 0.875 490 A CB -0.196 18.741 19.000 -0.105 0.000 0.929 490 A HN 0.206 nan 8.150 nan 0.000 0.502 491 D N -0.697 119.653 120.400 -0.082 0.000 2.469 491 D HA -0.012 4.626 4.640 -0.002 0.000 0.240 491 D C -0.299 175.985 176.300 -0.027 0.000 1.087 491 D CA 0.013 53.979 54.000 -0.057 0.000 0.876 491 D CB 0.122 40.873 40.800 -0.082 0.000 1.160 491 D HN 0.318 nan 8.370 nan 0.000 0.497 492 D N 1.543 121.927 120.400 -0.027 0.000 2.346 492 D HA 0.097 4.736 4.640 -0.002 0.000 0.267 492 D C 1.135 177.513 176.300 0.130 0.000 1.320 492 D CA -0.068 53.958 54.000 0.043 0.000 0.951 492 D CB 1.190 42.036 40.800 0.077 0.000 1.079 492 D HN -0.009 nan 8.370 nan 0.000 0.509 493 A N 5.538 128.407 122.820 0.082 0.000 1.972 493 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 493 A C 2.097 179.746 177.584 0.109 0.000 1.169 493 A CA 1.230 53.316 52.037 0.082 0.000 0.635 493 A CB -0.330 18.696 19.000 0.044 0.000 0.810 493 A HN 0.653 nan 8.150 nan 0.000 0.446 494 K N -1.060 119.410 120.400 0.117 0.000 2.032 494 K HA -0.219 4.099 4.320 -0.002 0.000 0.209 494 K C 1.861 178.556 176.600 0.158 0.000 1.048 494 K CA 1.996 58.352 56.287 0.115 0.000 0.927 494 K CB -0.450 32.119 32.500 0.115 0.000 0.712 494 K HN 0.412 nan 8.250 nan 0.000 0.441 495 F N 2.038 122.039 119.950 0.085 0.000 2.102 495 F HA -0.134 4.392 4.527 -0.003 0.000 0.298 495 F C 2.327 178.183 175.800 0.093 0.000 1.105 495 F CA 1.467 59.537 58.000 0.116 0.000 1.239 495 F CB -0.173 38.949 39.000 0.203 0.000 0.991 495 F HN -0.007 nan 8.300 nan 0.000 0.474 496 R N -0.028 120.665 120.500 0.322 0.000 2.139 496 R HA -0.224 4.114 4.340 -0.002 0.000 0.243 496 R C 1.870 178.206 176.300 0.060 0.000 1.145 496 R CA 1.827 58.019 56.100 0.154 0.000 0.976 496 R CB -0.731 29.632 30.300 0.105 0.000 0.866 496 R HN 0.399 nan 8.270 nan 0.000 0.449 497 D N 0.139 120.564 120.400 0.041 0.000 2.103 497 D HA -0.123 4.515 4.640 -0.002 0.000 0.199 497 D C 1.881 178.165 176.300 -0.027 0.000 0.978 497 D CA 1.122 55.129 54.000 0.012 0.000 0.829 497 D CB 0.140 40.947 40.800 0.012 0.000 0.981 497 D HN 0.120 nan 8.370 nan 0.000 0.464 498 Q N -1.017 118.732 119.800 -0.084 0.000 2.045 498 Q HA -0.249 4.090 4.340 -0.002 0.000 0.206 498 Q C 2.014 177.913 176.000 -0.167 0.000 0.991 498 Q CA 1.705 57.418 55.803 -0.151 0.000 0.851 498 Q CB -0.385 28.209 28.738 -0.240 0.000 0.911 498 Q HN 0.454 nan 8.270 nan 0.000 0.418 499 Y N 1.086 121.140 120.300 -0.410 0.000 2.053 499 Y HA -0.302 4.246 4.550 -0.003 0.000 0.277 499 Y C 2.518 178.329 175.900 -0.148 0.000 1.159 499 Y CA 2.078 59.977 58.100 -0.335 0.000 1.125 499 Y CB -0.201 38.049 38.460 -0.350 0.000 0.969 499 Y HN -0.048 nan 8.280 nan 0.000 0.492 500 R N 0.373 121.006 120.500 0.222 0.000 2.105 500 R HA -0.196 4.143 4.340 -0.002 0.000 0.239 500 R C 2.103 178.420 176.300 0.029 0.000 1.135 500 R CA 2.012 58.205 56.100 0.155 0.000 0.967 500 R CB -0.241 30.124 30.300 0.107 0.000 0.861 500 R HN 0.545 nan 8.270 nan 0.000 0.442 501 E N 0.162 120.354 120.200 -0.014 0.000 2.110 501 E HA -0.206 4.143 4.350 -0.002 0.000 0.193 501 E C 2.058 178.618 176.600 -0.065 0.000 0.988 501 E CA 1.410 57.785 56.400 -0.041 0.000 0.804 501 E CB -0.130 29.541 29.700 -0.047 0.000 0.745 501 E HN 0.443 nan 8.360 nan 0.000 0.458 502 I N 1.227 121.736 120.570 -0.102 0.000 2.226 502 I HA -0.267 3.902 4.170 -0.002 0.000 0.245 502 I C 2.519 178.562 176.117 -0.124 0.000 1.100 502 I CA 0.979 62.195 61.300 -0.139 0.000 1.374 502 I CB -0.242 37.621 38.000 -0.228 0.000 1.057 502 I HN 0.017 nan 8.210 nan 0.000 0.413 503 K N 1.125 121.459 120.400 -0.110 0.000 2.009 503 K HA -0.221 4.098 4.320 -0.002 0.000 0.210 503 K C 2.128 178.684 176.600 -0.074 0.000 1.049 503 K CA 1.749 57.998 56.287 -0.064 0.000 0.929 503 K CB -0.351 32.175 32.500 0.044 0.000 0.714 503 K HN 0.199 nan 8.250 nan 0.000 0.440 504 Q N 0.011 119.771 119.800 -0.067 0.000 2.079 504 Q HA -0.029 4.309 4.340 -0.002 0.000 0.200 504 Q C 2.204 178.153 176.000 -0.085 0.000 0.974 504 Q CA 1.596 57.340 55.803 -0.099 0.000 0.840 504 Q CB -0.651 28.044 28.738 -0.072 0.000 0.898 504 Q HN 0.446 nan 8.270 nan 0.000 0.430 505 A N 2.148 124.929 122.820 -0.065 0.000 1.903 505 A HA -0.275 4.043 4.320 -0.002 0.000 0.219 505 A C 1.939 179.499 177.584 -0.039 0.000 1.191 505 A CA 1.947 53.955 52.037 -0.048 0.000 0.638 505 A CB -0.680 18.288 19.000 -0.054 0.000 0.823 505 A HN 0.345 nan 8.150 nan 0.000 0.451 506 N N -0.039 118.630 118.700 -0.051 0.000 2.069 506 N HA -0.156 4.582 4.740 -0.002 0.000 0.191 506 N C 1.652 177.162 175.510 -0.000 0.000 1.031 506 N CA 1.736 54.769 53.050 -0.029 0.000 0.852 506 N CB -0.427 38.037 38.487 -0.039 0.000 1.018 506 N HN 0.608 nan 8.380 nan 0.000 0.423 507 K N 0.601 120.962 120.400 -0.064 0.000 2.074 507 K HA -0.095 4.223 4.320 -0.002 0.000 0.209 507 K C 2.075 178.724 176.600 0.082 0.000 1.048 507 K CA 1.004 57.232 56.287 -0.098 0.000 0.926 507 K CB -0.363 31.790 32.500 -0.579 0.000 0.713 507 K HN -0.036 nan 8.250 nan 0.000 0.444 508 V N 1.536 121.466 119.914 0.026 0.000 2.252 508 V HA -0.297 3.822 4.120 -0.002 0.000 0.249 508 V C 2.289 178.452 176.094 0.114 0.000 1.056 508 V CA 1.809 64.155 62.300 0.076 0.000 1.022 508 V CB -0.498 31.345 31.823 0.034 0.000 0.641 508 V HN 0.313 nan 8.190 nan 0.000 0.445 509 R N -0.814 119.739 120.500 0.089 0.000 2.159 509 R HA -0.150 4.188 4.340 -0.002 0.000 0.237 509 R C 2.103 178.500 176.300 0.162 0.000 1.131 509 R CA 1.303 57.462 56.100 0.098 0.000 0.982 509 R CB -0.375 29.955 30.300 0.050 0.000 0.868 509 R HN 0.403 nan 8.270 nan 0.000 0.453 510 L N -0.100 121.246 121.223 0.204 0.000 2.341 510 L HA 0.102 4.441 4.340 -0.002 0.000 0.214 510 L C 1.962 179.013 176.870 0.301 0.000 1.115 510 L CA 1.271 56.282 54.840 0.285 0.000 0.820 510 L CB -0.157 42.098 42.059 0.327 0.000 0.944 510 L HN 0.012 nan 8.230 nan 0.000 0.452 511 A N -0.865 122.117 122.820 0.270 0.000 2.016 511 A HA -0.082 4.237 4.320 -0.002 0.000 0.217 511 A C 2.082 179.760 177.584 0.157 0.000 1.162 511 A CA 1.158 53.319 52.037 0.207 0.000 0.662 511 A CB -0.333 18.801 19.000 0.223 0.000 0.812 511 A HN 0.562 nan 8.150 nan 0.000 0.450 512 E N -1.190 119.112 120.200 0.170 0.000 2.046 512 E HA -0.118 4.231 4.350 -0.002 0.000 0.190 512 E C 1.760 178.466 176.600 0.176 0.000 0.982 512 E CA 1.110 57.596 56.400 0.144 0.000 0.800 512 E CB -0.284 29.497 29.700 0.134 0.000 0.756 512 E HN 0.635 nan 8.360 nan 0.000 0.449 513 F N 1.892 121.881 119.950 0.065 0.000 2.051 513 F HA -0.224 4.302 4.527 -0.003 0.000 0.296 513 F C 2.244 178.081 175.800 0.061 0.000 1.122 513 F CA 1.140 59.178 58.000 0.063 0.000 1.201 513 F CB -0.567 38.477 39.000 0.072 0.000 0.978 513 F HN -0.235 nan 8.300 nan 0.000 0.472 514 V N 0.962 120.924 119.914 0.080 0.000 2.324 514 V HA -0.379 3.740 4.120 -0.002 0.000 0.250 514 V C 2.458 178.504 176.094 -0.080 0.000 1.060 514 V CA 2.344 64.607 62.300 -0.062 0.000 1.042 514 V CB -0.872 30.968 31.823 0.027 0.000 0.650 514 V HN 0.350 nan 8.190 nan 0.000 0.450 515 K N 1.163 121.557 120.400 -0.010 0.000 2.015 515 K HA -0.215 4.104 4.320 -0.002 0.000 0.216 515 K C 1.936 178.512 176.600 -0.039 0.000 1.052 515 K CA 2.657 58.940 56.287 -0.006 0.000 0.937 515 K CB -0.983 31.534 32.500 0.029 0.000 0.719 515 K HN 0.469 nan 8.250 nan 0.000 0.446 516 V N -1.686 118.193 119.914 -0.059 0.000 2.970 516 V HA 0.088 4.207 4.120 -0.002 0.000 0.260 516 V C 1.716 177.729 176.094 -0.135 0.000 1.100 516 V CA 1.179 63.436 62.300 -0.071 0.000 1.122 516 V CB -0.397 31.405 31.823 -0.035 0.000 0.721 516 V HN 0.192 nan 8.190 nan 0.000 0.483 517 R N 0.801 121.152 120.500 -0.249 0.000 2.334 517 R HA 0.227 4.565 4.340 -0.002 0.000 0.216 517 R C 1.610 177.833 176.300 -0.128 0.000 0.905 517 R CA 1.088 57.024 56.100 -0.273 0.000 1.064 517 R CB 0.375 30.320 30.300 -0.592 0.000 1.046 517 R HN 0.848 nan 8.270 nan 0.000 0.508 518 T N -7.024 107.485 114.554 -0.076 0.000 3.172 518 T HA 0.130 4.479 4.350 -0.002 0.000 0.261 518 T C 1.171 175.869 174.700 -0.004 0.000 0.854 518 T CA 0.663 62.757 62.100 -0.011 0.000 0.848 518 T CB 0.625 69.500 68.868 0.012 0.000 1.267 518 T HN 0.164 nan 8.240 nan 0.000 0.581 519 G N 1.820 110.610 108.800 -0.016 0.000 2.176 519 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.253 519 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.253 519 G C -0.043 174.857 174.900 -0.000 0.000 0.979 519 G CA 0.170 45.267 45.100 -0.005 0.000 0.641 519 G HN 0.739 nan 8.290 nan 0.000 0.530 520 I N 0.946 121.514 120.570 -0.003 0.000 2.428 520 I HA 0.348 4.517 4.170 -0.002 0.000 0.296 520 I C 0.323 176.443 176.117 0.004 0.000 0.985 520 I CA -0.630 60.669 61.300 -0.002 0.000 1.260 520 I CB 1.294 39.289 38.000 -0.008 0.000 1.389 520 I HN 0.071 nan 8.210 nan 0.000 0.484 521 E N 6.032 126.239 120.200 0.011 0.000 2.130 521 E HA 0.351 4.699 4.350 -0.002 0.000 0.284 521 E C -0.859 175.755 176.600 0.024 0.000 1.018 521 E CA -0.547 55.867 56.400 0.024 0.000 0.817 521 E CB 1.378 31.095 29.700 0.028 0.000 1.078 521 E HN 0.279 nan 8.360 nan 0.000 0.396 522 I N 3.165 123.755 120.570 0.034 0.000 2.321 522 I HA 0.087 4.256 4.170 -0.002 0.000 0.291 522 I C 0.211 176.405 176.117 0.129 0.000 0.998 522 I CA -0.862 60.451 61.300 0.023 0.000 1.227 522 I CB 0.877 38.825 38.000 -0.087 0.000 1.368 522 I HN 0.451 nan 8.210 nan 0.000 0.466 523 N N 9.119 127.899 118.700 0.134 0.000 2.399 523 N HA 0.080 4.819 4.740 -0.002 0.000 0.284 523 N C -1.741 173.958 175.510 0.315 0.000 1.283 523 N CA -0.869 52.286 53.050 0.175 0.000 0.972 523 N CB 0.569 39.133 38.487 0.127 0.000 1.328 523 N HN 0.291 nan 8.380 nan 0.000 0.486 524 P HA -0.161 nan 4.420 nan 0.000 0.231 524 P C -0.003 177.273 177.300 -0.040 0.000 1.154 524 P CA 1.133 64.315 63.100 0.136 0.000 0.762 524 P CB 0.145 31.889 31.700 0.072 0.000 0.790 525 Q N -2.212 117.624 119.800 0.060 0.000 2.217 525 Q HA 0.311 4.650 4.340 -0.002 0.000 0.217 525 Q C 0.782 176.827 176.000 0.075 0.000 0.844 525 Q CA -0.131 55.686 55.803 0.024 0.000 0.957 525 Q CB 0.599 29.353 28.738 0.028 0.000 1.127 525 Q HN 0.132 nan 8.270 nan 0.000 0.503 526 A N 1.370 124.281 122.820 0.151 0.000 2.257 526 A HA 0.466 4.784 4.320 -0.002 0.000 0.289 526 A C 0.065 177.697 177.584 0.080 0.000 1.095 526 A CA -0.560 51.561 52.037 0.141 0.000 0.836 526 A CB 0.337 19.441 19.000 0.174 0.000 1.111 526 A HN 0.254 nan 8.150 nan 0.000 0.497 527 I N 1.508 122.009 120.570 -0.114 0.000 2.421 527 I HA 0.023 4.192 4.170 -0.002 0.000 0.291 527 I C -0.674 175.419 176.117 -0.040 0.000 1.089 527 I CA 0.096 61.180 61.300 -0.361 0.000 1.354 527 I CB -0.091 37.535 38.000 -0.623 0.000 1.413 527 I HN 0.378 nan 8.210 nan 0.000 0.513 528 F N 4.982 124.783 119.950 -0.248 0.000 2.679 528 F HA 0.049 4.574 4.527 -0.003 0.000 0.351 528 F C 1.047 176.708 175.800 -0.232 0.000 1.279 528 F CA -0.588 57.305 58.000 -0.179 0.000 1.227 528 F CB -0.868 38.080 39.000 -0.086 0.000 1.623 528 F HN 0.408 nan 8.300 nan 0.000 0.666 529 D N 3.686 123.938 120.400 -0.246 0.000 2.358 529 D HA 0.176 4.815 4.640 -0.002 0.000 0.258 529 D C -0.096 176.033 176.300 -0.285 0.000 1.223 529 D CA 0.194 53.976 54.000 -0.363 0.000 0.886 529 D CB 0.551 40.877 40.800 -0.790 0.000 1.120 529 D HN 0.292 nan 8.370 nan 0.000 0.482 530 I N 2.778 123.230 120.570 -0.197 0.000 2.530 530 I HA 0.255 4.423 4.170 -0.002 0.000 0.297 530 I C 0.126 176.061 176.117 -0.303 0.000 1.011 530 I CA -0.744 60.420 61.300 -0.226 0.000 1.107 530 I CB 2.114 40.037 38.000 -0.127 0.000 1.285 530 I HN 0.243 nan 8.210 nan 0.000 0.436 531 Q N 7.121 126.633 119.800 -0.481 0.000 2.695 531 Q HA 0.441 4.779 4.340 -0.002 0.000 0.246 531 Q C -1.480 174.191 176.000 -0.549 0.000 0.961 531 Q CA -0.422 55.069 55.803 -0.520 0.000 0.708 531 Q CB 1.268 29.583 28.738 -0.705 0.000 1.282 531 Q HN 0.678 nan 8.270 nan 0.000 0.482 532 I N 1.593 121.907 120.570 -0.427 0.000 2.321 532 I HA 0.664 4.833 4.170 -0.002 0.000 0.291 532 I C -0.835 175.091 176.117 -0.319 0.000 0.998 532 I CA -0.541 60.415 61.300 -0.573 0.000 1.227 532 I CB 0.830 38.471 38.000 -0.599 0.000 1.368 532 I HN 0.447 nan 8.210 nan 0.000 0.466 533 K N 3.819 124.072 120.400 -0.244 0.000 2.894 533 K HA 0.363 4.682 4.320 -0.002 0.000 0.293 533 K C -1.311 175.334 176.600 0.075 0.000 1.091 533 K CA -1.104 55.181 56.287 -0.003 0.000 0.865 533 K CB 0.805 33.257 32.500 -0.081 0.000 1.441 533 K HN 0.574 nan 8.250 nan 0.000 0.361 534 R N 0.693 121.272 120.500 0.132 0.000 2.697 534 R HA 0.030 4.369 4.340 -0.002 0.000 0.265 534 R C 0.043 176.423 176.300 0.133 0.000 1.009 534 R CA -0.563 55.636 56.100 0.165 0.000 1.099 534 R CB 0.158 30.561 30.300 0.171 0.000 0.965 534 R HN 0.392 nan 8.270 nan 0.000 0.428 535 L N 4.521 125.848 121.223 0.173 0.000 2.325 535 L HA 0.160 4.498 4.340 -0.002 0.000 0.284 535 L C -0.734 176.205 176.870 0.115 0.000 1.089 535 L CA 0.486 55.403 54.840 0.129 0.000 0.836 535 L CB 0.030 42.176 42.059 0.146 0.000 1.184 535 L HN 0.598 nan 8.230 nan 0.000 0.444 536 H N 3.981 123.021 119.070 -0.050 0.000 2.865 536 H HA 0.201 4.756 4.556 -0.002 0.000 0.362 536 H C 0.546 175.764 175.328 -0.184 0.000 1.114 536 H CA -0.388 55.656 56.048 -0.006 0.000 1.208 536 H CB 1.662 31.333 29.762 -0.152 0.000 1.727 536 H HN 0.665 nan 8.280 nan 0.000 0.534 537 E N 2.606 122.966 120.200 0.267 0.000 2.114 537 E HA -0.273 4.075 4.350 -0.002 0.000 0.199 537 E C 1.199 177.541 176.600 -0.431 0.000 1.008 537 E CA 2.125 58.509 56.400 -0.027 0.000 0.810 537 E CB -0.016 29.852 29.700 0.281 0.000 0.739 537 E HN 0.671 nan 8.360 nan 0.000 0.456 538 Y N 0.048 119.874 120.300 -0.789 0.000 2.439 538 Y HA 0.048 4.597 4.550 -0.001 0.000 0.292 538 Y C 1.624 177.289 175.900 -0.391 0.000 1.130 538 Y CA 0.671 58.157 58.100 -1.024 0.000 1.254 538 Y CB -0.109 37.846 38.460 -0.841 0.000 1.000 538 Y HN -0.208 nan 8.280 nan 0.000 0.554 539 K N 1.028 120.941 120.400 -0.812 0.000 2.525 539 K HA 0.058 4.377 4.320 -0.002 0.000 0.192 539 K C 0.144 176.618 176.600 -0.211 0.000 1.029 539 K CA 0.257 56.219 56.287 -0.542 0.000 1.029 539 K CB -0.076 32.114 32.500 -0.516 0.000 0.814 539 K HN 0.334 nan 8.250 nan 0.000 0.503 540 R N 0.479 120.920 120.500 -0.099 0.000 3.387 540 R HA -0.251 4.088 4.340 -0.002 0.000 0.254 540 R C 0.300 176.719 176.300 0.198 0.000 1.006 540 R CA 0.391 56.586 56.100 0.158 0.000 0.677 540 R CB -1.834 28.483 30.300 0.029 0.000 1.063 540 R HN 0.371 nan 8.270 nan 0.000 0.453 541 Q N -0.128 119.776 119.800 0.174 0.000 2.508 541 Q HA -0.155 4.184 4.340 -0.002 0.000 0.214 541 Q C 1.959 178.152 176.000 0.322 0.000 0.979 541 Q CA 1.588 57.530 55.803 0.231 0.000 0.911 541 Q CB -0.094 28.795 28.738 0.251 0.000 0.969 541 Q HN 0.666 nan 8.270 nan 0.000 0.504 542 H N -1.539 117.581 119.070 0.085 0.000 2.563 542 H HA 0.027 4.581 4.556 -0.003 0.000 0.264 542 H C 1.639 177.033 175.328 0.111 0.000 0.957 542 H CA 0.270 56.365 56.048 0.078 0.000 1.173 542 H CB -0.182 29.619 29.762 0.065 0.000 1.420 542 H HN 0.242 nan 8.280 nan 0.000 0.551 543 L N 1.094 122.283 121.223 -0.058 0.000 2.418 543 L HA 0.102 4.440 4.340 -0.002 0.000 0.218 543 L C 1.831 178.800 176.870 0.165 0.000 1.125 543 L CA 1.159 55.977 54.840 -0.036 0.000 0.835 543 L CB -0.909 41.073 42.059 -0.128 0.000 0.953 543 L HN 0.317 nan 8.230 nan 0.000 0.454 544 N N -1.077 117.741 118.700 0.196 0.000 2.148 544 N HA -0.182 4.556 4.740 -0.002 0.000 0.186 544 N C 1.894 177.576 175.510 0.287 0.000 1.031 544 N CA 0.945 54.216 53.050 0.368 0.000 0.848 544 N CB -0.097 38.619 38.487 0.382 0.000 1.005 544 N HN 0.304 nan 8.380 nan 0.000 0.427 545 L N 1.749 123.075 121.223 0.173 0.000 2.051 545 L HA -0.171 4.168 4.340 -0.002 0.000 0.214 545 L C 1.897 178.763 176.870 -0.005 0.000 1.076 545 L CA 1.525 56.355 54.840 -0.017 0.000 0.758 545 L CB -0.696 41.312 42.059 -0.085 0.000 0.890 545 L HN 0.304 nan 8.230 nan 0.000 0.433 546 L N -1.564 119.734 121.223 0.124 0.000 2.017 546 L HA -0.249 4.089 4.340 -0.002 0.000 0.208 546 L C 2.708 179.730 176.870 0.255 0.000 1.073 546 L CA 1.647 56.620 54.840 0.223 0.000 0.745 546 L CB -1.198 41.106 42.059 0.409 0.000 0.894 546 L HN 0.468 nan 8.230 nan 0.000 0.432 547 H N 1.030 120.183 119.070 0.139 0.000 2.387 547 H HA -0.134 4.420 4.556 -0.002 0.000 0.299 547 H C 2.234 177.488 175.328 -0.125 0.000 1.090 547 H CA 1.701 57.708 56.048 -0.069 0.000 1.332 547 H CB 0.107 29.744 29.762 -0.207 0.000 1.386 547 H HN 0.316 nan 8.280 nan 0.000 0.516 548 I N 0.483 120.955 120.570 -0.163 0.000 2.361 548 I HA -0.275 3.893 4.170 -0.002 0.000 0.251 548 I C 2.590 178.527 176.117 -0.300 0.000 1.133 548 I CA 0.678 61.687 61.300 -0.485 0.000 1.413 548 I CB -0.184 37.408 38.000 -0.680 0.000 1.073 548 I HN 0.211 nan 8.210 nan 0.000 0.424 549 L N 0.505 121.632 121.223 -0.161 0.000 2.044 549 L HA -0.105 4.233 4.340 -0.002 0.000 0.205 549 L C 2.789 179.668 176.870 0.015 0.000 1.075 549 L CA 1.184 56.010 54.840 -0.024 0.000 0.747 549 L CB -0.592 41.465 42.059 -0.003 0.000 0.903 549 L HN 0.183 nan 8.230 nan 0.000 0.435 550 A N -0.526 122.284 122.820 -0.016 0.000 2.125 550 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 550 A C 2.216 179.728 177.584 -0.120 0.000 1.156 550 A CA 1.319 53.349 52.037 -0.013 0.000 0.671 550 A CB -0.490 18.568 19.000 0.097 0.000 0.794 550 A HN 0.434 nan 8.150 nan 0.000 0.459 551 L N -2.398 118.704 121.223 -0.203 0.000 2.145 551 L HA -0.007 4.332 4.340 -0.002 0.000 0.201 551 L C 2.410 179.273 176.870 -0.012 0.000 1.075 551 L CA 1.076 55.816 54.840 -0.166 0.000 0.773 551 L CB -0.373 41.553 42.059 -0.221 0.000 0.936 551 L HN 0.481 nan 8.230 nan 0.000 0.451 552 Y N 1.441 121.658 120.300 -0.138 0.000 2.114 552 Y HA -0.368 4.180 4.550 -0.003 0.000 0.282 552 Y C 2.622 178.492 175.900 -0.050 0.000 1.165 552 Y CA 2.214 60.263 58.100 -0.085 0.000 1.148 552 Y CB -0.432 37.974 38.460 -0.089 0.000 0.972 552 Y HN 0.150 nan 8.280 nan 0.000 0.504 553 K N 0.413 120.754 120.400 -0.099 0.000 2.057 553 K HA -0.257 4.062 4.320 -0.002 0.000 0.207 553 K C 2.178 178.703 176.600 -0.125 0.000 1.049 553 K CA 1.853 58.034 56.287 -0.177 0.000 0.931 553 K CB -0.405 32.045 32.500 -0.084 0.000 0.714 553 K HN 0.528 nan 8.250 nan 0.000 0.440 554 E N 0.834 120.989 120.200 -0.076 0.000 2.265 554 E HA -0.151 4.197 4.350 -0.002 0.000 0.196 554 E C 1.729 178.300 176.600 -0.049 0.000 0.996 554 E CA 1.146 57.512 56.400 -0.058 0.000 0.832 554 E CB -0.077 29.590 29.700 -0.055 0.000 0.756 554 E HN 0.642 nan 8.360 nan 0.000 0.491 555 I N -3.611 116.931 120.570 -0.047 0.000 4.018 555 I HA 0.187 4.356 4.170 -0.002 0.000 0.337 555 I C 1.803 177.886 176.117 -0.056 0.000 1.327 555 I CA -0.350 60.935 61.300 -0.025 0.000 1.100 555 I CB 0.290 38.304 38.000 0.025 0.000 1.025 555 I HN -0.133 nan 8.210 nan 0.000 0.396 556 R N 1.541 121.963 120.500 -0.130 0.000 2.087 556 R HA 0.134 4.473 4.340 -0.002 0.000 0.216 556 R C 1.576 177.808 176.300 -0.113 0.000 1.114 556 R CA 1.087 57.087 56.100 -0.168 0.000 1.002 556 R CB 0.012 30.114 30.300 -0.329 0.000 0.903 556 R HN 0.465 nan 8.270 nan 0.000 0.445 557 E N 0.472 120.606 120.200 -0.109 0.000 2.358 557 E HA -0.022 4.326 4.350 -0.002 0.000 0.195 557 E C 0.317 176.885 176.600 -0.053 0.000 1.010 557 E CA 0.242 56.596 56.400 -0.076 0.000 0.856 557 E CB 0.142 29.798 29.700 -0.073 0.000 0.795 557 E HN 0.086 nan 8.360 nan 0.000 0.504 558 N N 1.003 119.674 118.700 -0.049 0.000 2.573 558 N HA 0.090 4.828 4.740 -0.002 0.000 0.262 558 N C -2.281 173.215 175.510 -0.024 0.000 1.029 558 N CA -1.818 51.213 53.050 -0.032 0.000 0.882 558 N CB 1.464 39.934 38.487 -0.028 0.000 1.204 558 N HN -0.167 nan 8.380 nan 0.000 0.519 559 P HA -0.022 nan 4.420 nan 0.000 0.252 559 P C 0.307 177.602 177.300 -0.008 0.000 1.265 559 P CA 0.701 63.794 63.100 -0.013 0.000 0.775 559 P CB 0.776 32.469 31.700 -0.013 0.000 1.128 560 Q N 0.176 119.970 119.800 -0.009 0.000 2.965 560 Q HA 0.425 4.764 4.340 -0.002 0.000 0.217 560 Q C -0.357 175.640 176.000 -0.005 0.000 1.113 560 Q CA 0.129 55.928 55.803 -0.006 0.000 0.373 560 Q CB 0.034 28.768 28.738 -0.007 0.000 5.238 560 Q HN -0.073 nan 8.270 nan 0.000 0.337 561 A N 3.323 126.139 122.820 -0.007 0.000 1.797 561 A HA -0.147 4.171 4.320 -0.002 0.000 0.241 561 A C -0.387 177.196 177.584 -0.002 0.000 1.262 561 A CA 1.007 53.040 52.037 -0.007 0.000 0.738 561 A CB -1.646 17.347 19.000 -0.011 0.000 1.189 561 A HN 0.592 nan 8.150 nan 0.000 0.272 562 D N 2.418 122.818 120.400 -0.001 0.000 2.767 562 D HA 0.102 4.741 4.640 -0.002 0.000 0.231 562 D C 0.190 176.492 176.300 0.004 0.000 1.105 562 D CA -0.300 53.702 54.000 0.003 0.000 1.024 562 D CB 0.196 40.997 40.800 0.001 0.000 1.123 562 D HN 0.393 nan 8.370 nan 0.000 0.470 563 R N 0.507 121.010 120.500 0.005 0.000 2.389 563 R HA 0.178 4.516 4.340 -0.002 0.000 0.295 563 R C 0.193 176.500 176.300 0.011 0.000 1.075 563 R CA -0.748 55.355 56.100 0.005 0.000 1.005 563 R CB 1.092 31.396 30.300 0.007 0.000 0.987 563 R HN 0.101 nan 8.270 nan 0.000 0.452 564 V N 6.247 126.165 119.914 0.006 0.000 2.539 564 V HA -0.021 4.098 4.120 -0.002 0.000 0.300 564 V C -1.737 174.363 176.094 0.009 0.000 1.019 564 V CA -0.798 61.512 62.300 0.016 0.000 1.160 564 V CB -0.261 31.577 31.823 0.025 0.000 0.901 564 V HN 0.561 nan 8.190 nan 0.000 0.481 565 P HA 0.078 nan 4.420 nan 0.000 0.261 565 P C -0.106 177.208 177.300 0.023 0.000 1.173 565 P CA 0.636 63.761 63.100 0.041 0.000 0.760 565 P CB 0.386 32.118 31.700 0.053 0.000 0.783 566 R N 1.486 122.015 120.500 0.049 0.000 2.854 566 R HA 0.736 5.074 4.340 -0.002 0.000 0.271 566 R C -1.306 175.035 176.300 0.069 0.000 0.994 566 R CA -1.127 54.977 56.100 0.008 0.000 0.945 566 R CB 2.018 32.295 30.300 -0.038 0.000 1.194 566 R HN 0.133 nan 8.270 nan 0.000 0.476 567 V N 2.843 122.745 119.914 -0.019 0.000 2.445 567 V HA 0.302 4.420 4.120 -0.002 0.000 0.283 567 V C -1.207 174.839 176.094 -0.080 0.000 1.014 567 V CA -0.661 61.611 62.300 -0.047 0.000 0.852 567 V CB 1.127 32.771 31.823 -0.298 0.000 1.021 567 V HN 0.534 nan 8.190 nan 0.000 0.435 568 F N 5.323 125.231 119.950 -0.070 0.000 2.438 568 F HA 0.470 4.996 4.527 -0.003 0.000 0.360 568 F C 0.353 176.157 175.800 0.005 0.000 1.118 568 F CA -0.255 57.739 58.000 -0.011 0.000 1.164 568 F CB 0.697 39.763 39.000 0.109 0.000 1.131 568 F HN 0.221 nan 8.300 nan 0.000 0.527 569 L N 4.432 125.670 121.223 0.025 0.000 2.307 569 L HA 0.469 4.808 4.340 -0.002 0.000 0.282 569 L C -0.804 175.985 176.870 -0.136 0.000 1.051 569 L CA -0.546 54.283 54.840 -0.018 0.000 0.804 569 L CB 1.057 43.055 42.059 -0.102 0.000 1.197 569 L HN 0.386 nan 8.230 nan 0.000 0.431 570 F N 0.642 120.406 119.950 -0.311 0.000 2.520 570 F HA 0.691 5.216 4.527 -0.003 0.000 0.322 570 F C 0.504 175.989 175.800 -0.526 0.000 1.103 570 F CA -0.715 56.919 58.000 -0.610 0.000 0.926 570 F CB 2.352 40.592 39.000 -1.267 0.000 1.154 570 F HN 0.337 nan 8.300 nan 0.000 0.453 571 G N 1.834 110.394 108.800 -0.401 0.000 2.782 571 G HA2 0.732 4.691 3.960 -0.002 0.000 0.280 571 G HA3 0.732 4.691 3.960 -0.002 0.000 0.280 571 G C -1.775 172.950 174.900 -0.292 0.000 1.526 571 G CA -0.523 44.373 45.100 -0.339 0.000 1.083 571 G HN 0.942 nan 8.290 nan 0.000 0.552 572 A N 2.454 125.449 122.820 0.291 0.000 2.608 572 A HA 0.881 5.200 4.320 -0.002 0.000 0.292 572 A C -1.117 176.754 177.584 0.479 0.000 1.066 572 A CA -0.875 51.377 52.037 0.360 0.000 0.676 572 A CB 1.718 20.898 19.000 0.299 0.000 1.277 572 A HN 0.543 nan 8.150 nan 0.000 0.413 573 K N 0.039 120.652 120.400 0.355 0.000 2.375 573 K HA 0.756 5.075 4.320 -0.002 0.000 0.249 573 K C -0.673 176.119 176.600 0.320 0.000 0.942 573 K CA -0.572 55.915 56.287 0.333 0.000 0.806 573 K CB 2.617 35.194 32.500 0.128 0.000 1.227 573 K HN 1.023 nan 8.250 nan 0.000 0.430 574 A N 1.418 124.466 122.820 0.381 0.000 2.318 574 A HA 0.685 5.003 4.320 -0.002 0.000 0.324 574 A C -0.340 177.447 177.584 0.339 0.000 1.170 574 A CA -0.639 51.555 52.037 0.261 0.000 0.810 574 A CB 1.044 20.108 19.000 0.106 0.000 1.198 574 A HN 0.796 nan 8.150 nan 0.000 0.484 575 A N 4.137 127.154 122.820 0.329 0.000 2.587 575 A HA 0.388 4.706 4.320 -0.002 0.000 0.233 575 A C -1.180 176.513 177.584 0.181 0.000 1.049 575 A CA -0.260 51.948 52.037 0.285 0.000 0.754 575 A CB -0.482 18.639 19.000 0.201 0.000 0.977 575 A HN 0.645 nan 8.150 nan 0.000 0.509 576 P HA -0.183 nan 4.420 nan 0.000 0.216 576 P C 1.113 178.294 177.300 -0.198 0.000 1.167 576 P CA 2.213 65.296 63.100 -0.029 0.000 0.914 576 P CB 0.081 31.814 31.700 0.055 0.000 0.793 577 G N -2.728 106.002 108.800 -0.116 0.000 3.949 577 G HA2 0.028 3.987 3.960 -0.002 0.000 0.295 577 G HA3 0.028 3.987 3.960 -0.002 0.000 0.295 577 G C -0.638 174.203 174.900 -0.098 0.000 1.286 577 G CA 0.065 45.033 45.100 -0.219 0.000 1.171 577 G HN 0.140 nan 8.290 nan 0.000 0.586 578 Y N 1.398 121.521 120.300 -0.296 0.000 2.806 578 Y HA 0.388 4.937 4.550 -0.003 0.000 0.364 578 Y C 0.726 176.536 175.900 -0.149 0.000 1.101 578 Y CA -2.690 55.331 58.100 -0.132 0.000 1.256 578 Y CB -0.509 37.892 38.460 -0.097 0.000 1.363 578 Y HN 0.307 nan 8.280 nan 0.000 0.592 579 Y N 0.811 121.174 120.300 0.105 0.000 2.069 579 Y HA -0.355 4.193 4.550 -0.003 0.000 0.278 579 Y C 2.314 178.171 175.900 -0.071 0.000 1.175 579 Y CA 2.112 60.211 58.100 -0.001 0.000 1.134 579 Y CB -0.688 37.777 38.460 0.008 0.000 0.965 579 Y HN 0.446 nan 8.280 nan 0.000 0.498 580 L N 0.552 121.830 121.223 0.091 0.000 2.081 580 L HA -0.222 4.117 4.340 -0.002 0.000 0.212 580 L C 2.180 178.918 176.870 -0.220 0.000 1.080 580 L CA 2.091 56.917 54.840 -0.023 0.000 0.754 580 L CB -1.023 41.050 42.059 0.023 0.000 0.893 580 L HN 0.168 nan 8.230 nan 0.000 0.433 581 A N -1.470 121.006 122.820 -0.574 0.000 2.206 581 A HA -0.074 4.245 4.320 -0.002 0.000 0.211 581 A C 2.118 179.561 177.584 -0.235 0.000 1.158 581 A CA 1.133 52.807 52.037 -0.605 0.000 0.761 581 A CB -0.412 17.861 19.000 -1.212 0.000 0.801 581 A HN 0.570 nan 8.150 nan 0.000 0.473 582 K N -0.923 119.392 120.400 -0.142 0.000 2.354 582 K HA 0.109 4.428 4.320 -0.002 0.000 0.194 582 K C 1.546 178.181 176.600 0.059 0.000 1.038 582 K CA 0.326 56.589 56.287 -0.039 0.000 1.052 582 K CB 0.049 32.500 32.500 -0.082 0.000 0.861 582 K HN 0.536 nan 8.250 nan 0.000 0.535 583 N N 1.162 119.913 118.700 0.084 0.000 2.290 583 N HA -0.004 4.735 4.740 -0.002 0.000 0.179 583 N C 1.734 177.412 175.510 0.280 0.000 1.016 583 N CA 0.496 53.682 53.050 0.227 0.000 0.871 583 N CB 0.245 38.849 38.487 0.195 0.000 0.987 583 N HN 0.048 nan 8.380 nan 0.000 0.431 584 I N 1.259 121.898 120.570 0.115 0.000 2.163 584 I HA -0.245 3.923 4.170 -0.002 0.000 0.240 584 I C 2.071 178.227 176.117 0.064 0.000 1.081 584 I CA 0.983 62.324 61.300 0.069 0.000 1.353 584 I CB -0.176 37.819 38.000 -0.009 0.000 1.054 584 I HN 0.160 nan 8.210 nan 0.000 0.407 585 I N 0.126 120.738 120.570 0.070 0.000 2.423 585 I HA -0.325 3.843 4.170 -0.002 0.000 0.254 585 I C 2.449 178.513 176.117 -0.088 0.000 1.151 585 I CA 1.295 62.594 61.300 -0.000 0.000 1.421 585 I CB -0.334 37.651 38.000 -0.026 0.000 1.079 585 I HN 0.221 nan 8.210 nan 0.000 0.431 586 F N 1.847 121.746 119.950 -0.086 0.000 2.084 586 F HA -0.139 4.386 4.527 -0.003 0.000 0.296 586 F C 2.462 178.295 175.800 0.054 0.000 1.111 586 F CA 1.277 59.258 58.000 -0.032 0.000 1.224 586 F CB -0.687 38.350 39.000 0.061 0.000 0.991 586 F HN -0.008 nan 8.300 nan 0.000 0.471 587 A N 1.257 124.023 122.820 -0.091 0.000 1.851 587 A HA -0.175 4.143 4.320 -0.002 0.000 0.216 587 A C 2.383 179.694 177.584 -0.456 0.000 1.195 587 A CA 2.146 53.926 52.037 -0.428 0.000 0.622 587 A CB -1.396 17.286 19.000 -0.530 0.000 0.831 587 A HN 0.487 nan 8.150 nan 0.000 0.444 588 I N 0.116 120.485 120.570 -0.336 0.000 2.113 588 I HA -0.390 3.778 4.170 -0.002 0.000 0.242 588 I C 2.347 178.243 176.117 -0.369 0.000 1.057 588 I CA 1.768 62.842 61.300 -0.377 0.000 1.314 588 I CB -0.612 37.215 38.000 -0.289 0.000 1.022 588 I HN 0.395 nan 8.210 nan 0.000 0.408 589 N N 0.576 119.054 118.700 -0.369 0.000 2.084 589 N HA -0.147 4.591 4.740 -0.002 0.000 0.190 589 N C 1.830 177.146 175.510 -0.324 0.000 1.030 589 N CA 1.178 53.996 53.050 -0.386 0.000 0.849 589 N CB -0.142 38.027 38.487 -0.530 0.000 1.012 589 N HN 0.292 nan 8.380 nan 0.000 0.423 590 K N 1.096 121.274 120.400 -0.371 0.000 1.984 590 K HA -0.042 4.277 4.320 -0.002 0.000 0.209 590 K C 2.019 178.459 176.600 -0.267 0.000 1.046 590 K CA 0.495 56.616 56.287 -0.277 0.000 0.934 590 K CB -1.212 31.111 32.500 -0.295 0.000 0.717 590 K HN 0.064 nan 8.250 nan 0.000 0.438 591 V N 1.622 121.246 119.914 -0.482 0.000 2.568 591 V HA -0.244 3.874 4.120 -0.002 0.000 0.253 591 V C 2.097 177.881 176.094 -0.516 0.000 1.072 591 V CA 2.097 63.930 62.300 -0.777 0.000 1.084 591 V CB -0.583 30.520 31.823 -1.200 0.000 0.676 591 V HN 0.307 nan 8.190 nan 0.000 0.469 592 A N 1.393 123.974 122.820 -0.399 0.000 1.835 592 A HA -0.248 4.071 4.320 -0.002 0.000 0.215 592 A C 1.855 179.308 177.584 -0.220 0.000 1.199 592 A CA 2.014 53.868 52.037 -0.305 0.000 0.615 592 A CB -1.164 17.689 19.000 -0.245 0.000 0.838 592 A HN 0.794 nan 8.150 nan 0.000 0.444 593 D N -0.334 119.970 120.400 -0.160 0.000 2.351 593 D HA -0.066 4.573 4.640 -0.002 0.000 0.216 593 D C 1.320 177.574 176.300 -0.077 0.000 0.968 593 D CA 1.108 55.050 54.000 -0.096 0.000 0.899 593 D CB -0.503 40.260 40.800 -0.063 0.000 0.907 593 D HN 0.222 nan 8.370 nan 0.000 0.514 594 V N 0.194 120.051 119.914 -0.095 0.000 2.488 594 V HA -0.063 4.056 4.120 -0.002 0.000 0.246 594 V C 2.407 178.433 176.094 -0.113 0.000 1.046 594 V CA 0.885 63.172 62.300 -0.023 0.000 1.053 594 V CB -0.234 31.670 31.823 0.135 0.000 0.679 594 V HN 0.249 nan 8.190 nan 0.000 0.458 595 I N 0.343 120.727 120.570 -0.310 0.000 2.480 595 I HA -0.084 4.085 4.170 -0.002 0.000 0.251 595 I C 1.755 177.756 176.117 -0.194 0.000 1.124 595 I CA 0.930 61.969 61.300 -0.436 0.000 1.444 595 I CB -0.224 37.385 38.000 -0.652 0.000 1.098 595 I HN 0.323 nan 8.210 nan 0.000 0.428 596 N N 1.353 119.960 118.700 -0.155 0.000 2.609 596 N HA -0.108 4.630 4.740 -0.002 0.000 0.190 596 N C 0.669 176.152 175.510 -0.045 0.000 1.157 596 N CA 0.768 53.767 53.050 -0.085 0.000 0.918 596 N CB -0.124 38.316 38.487 -0.078 0.000 0.978 596 N HN 0.405 nan 8.380 nan 0.000 0.448 597 N N -1.322 117.357 118.700 -0.036 0.000 2.324 597 N HA -0.017 4.721 4.740 -0.002 0.000 0.235 597 N C -0.683 174.837 175.510 0.017 0.000 1.162 597 N CA -0.250 52.797 53.050 -0.006 0.000 0.834 597 N CB 0.343 38.828 38.487 -0.003 0.000 1.354 597 N HN 0.050 nan 8.380 nan 0.000 0.471 598 D N 3.124 123.544 120.400 0.033 0.000 2.472 598 D HA -0.010 4.628 4.640 -0.002 0.000 0.248 598 D C -1.308 175.030 176.300 0.063 0.000 1.174 598 D CA -1.335 52.708 54.000 0.072 0.000 0.883 598 D CB 1.058 41.951 40.800 0.155 0.000 1.149 598 D HN 0.145 nan 8.370 nan 0.000 0.488 599 P HA -0.157 nan 4.420 nan 0.000 0.220 599 P C 1.916 179.243 177.300 0.044 0.000 1.148 599 P CA 0.523 63.646 63.100 0.038 0.000 0.803 599 P CB 0.204 31.921 31.700 0.028 0.000 0.782 600 L N 0.646 121.901 121.223 0.053 0.000 2.127 600 L HA -0.132 4.206 4.340 -0.002 0.000 0.211 600 L C 2.357 179.265 176.870 0.063 0.000 1.089 600 L CA 1.562 56.430 54.840 0.047 0.000 0.757 600 L CB -0.326 41.755 42.059 0.037 0.000 0.899 600 L HN -0.100 nan 8.230 nan 0.000 0.434 601 V N -3.299 116.674 119.914 0.098 0.000 2.725 601 V HA 0.353 4.472 4.120 -0.002 0.000 0.247 601 V C 1.698 177.830 176.094 0.064 0.000 1.058 601 V CA 0.546 62.910 62.300 0.106 0.000 1.080 601 V CB -1.140 30.783 31.823 0.166 0.000 0.713 601 V HN 0.563 nan 8.190 nan 0.000 0.465 602 G N 1.023 109.853 108.800 0.050 0.000 2.614 602 G HA2 -0.411 3.548 3.960 -0.002 0.000 0.303 602 G HA3 -0.411 3.548 3.960 -0.002 0.000 0.303 602 G C 0.269 175.189 174.900 0.033 0.000 1.270 602 G CA 0.841 45.962 45.100 0.036 0.000 0.988 602 G HN 0.514 nan 8.290 nan 0.000 0.551 603 D N 0.740 121.160 120.400 0.034 0.000 2.352 603 D HA 0.229 4.867 4.640 -0.002 0.000 0.236 603 D C 2.120 178.447 176.300 0.046 0.000 1.148 603 D CA 0.293 54.316 54.000 0.038 0.000 0.844 603 D CB 0.077 40.901 40.800 0.040 0.000 0.933 603 D HN 0.475 nan 8.370 nan 0.000 0.507 604 K N -0.614 119.815 120.400 0.048 0.000 2.098 604 K HA 0.054 4.373 4.320 -0.002 0.000 0.203 604 K C 0.308 176.949 176.600 0.069 0.000 1.051 604 K CA 0.398 56.718 56.287 0.055 0.000 0.957 604 K CB 0.692 33.225 32.500 0.054 0.000 0.738 604 K HN 0.021 nan 8.250 nan 0.000 0.447 605 L N 0.691 121.953 121.223 0.064 0.000 2.431 605 L HA 0.371 4.710 4.340 -0.002 0.000 0.266 605 L C -1.859 175.023 176.870 0.020 0.000 0.978 605 L CA -0.338 54.544 54.840 0.071 0.000 0.822 605 L CB 1.924 44.018 42.059 0.059 0.000 1.310 605 L HN -0.182 nan 8.230 nan 0.000 0.409 606 K N 3.704 124.132 120.400 0.047 0.000 2.543 606 K HA 0.712 5.030 4.320 -0.002 0.000 0.255 606 K C -1.678 174.942 176.600 0.032 0.000 0.934 606 K CA -0.783 55.500 56.287 -0.005 0.000 0.810 606 K CB 2.758 35.251 32.500 -0.012 0.000 1.315 606 K HN 0.459 nan 8.250 nan 0.000 0.433 607 V N -0.119 119.770 119.914 -0.041 0.000 2.444 607 V HA 0.672 4.791 4.120 -0.002 0.000 0.294 607 V C -0.597 175.491 176.094 -0.011 0.000 1.022 607 V CA -0.704 61.592 62.300 -0.007 0.000 0.850 607 V CB 1.509 33.240 31.823 -0.154 0.000 0.992 607 V HN 0.381 nan 8.190 nan 0.000 0.426 608 V N 5.429 125.375 119.914 0.053 0.000 2.628 608 V HA 0.576 4.695 4.120 -0.002 0.000 0.306 608 V C -0.878 175.315 176.094 0.165 0.000 1.045 608 V CA -0.383 61.961 62.300 0.074 0.000 0.905 608 V CB 1.967 33.808 31.823 0.030 0.000 0.997 608 V HN 0.833 nan 8.190 nan 0.000 0.436 609 F N 4.741 124.738 119.950 0.078 0.000 2.552 609 F HA 0.538 5.064 4.527 -0.003 0.000 0.369 609 F C -0.097 175.887 175.800 0.308 0.000 1.112 609 F CA -0.898 57.207 58.000 0.175 0.000 1.129 609 F CB 0.883 39.873 39.000 -0.017 0.000 1.360 609 F HN 0.287 nan 8.300 nan 0.000 0.473 610 L N 7.601 129.114 121.223 0.484 0.000 2.534 610 L HA 0.170 4.508 4.340 -0.002 0.000 0.271 610 L C -1.830 175.306 176.870 0.443 0.000 1.178 610 L CA -1.464 53.596 54.840 0.366 0.000 0.907 610 L CB 0.194 42.428 42.059 0.292 0.000 1.164 610 L HN 0.345 nan 8.230 nan 0.000 0.482 611 P HA 0.017 nan 4.420 nan 0.000 0.274 611 P C -0.260 177.047 177.300 0.010 0.000 1.231 611 P CA -0.111 62.911 63.100 -0.130 0.000 0.790 611 P CB 0.918 32.361 31.700 -0.429 0.000 0.951 612 D N -0.524 119.871 120.400 -0.008 0.000 2.800 612 D HA -0.245 4.393 4.640 -0.002 0.000 0.232 612 D C -0.588 175.805 176.300 0.155 0.000 1.137 612 D CA 0.553 54.588 54.000 0.058 0.000 0.718 612 D CB -2.111 38.696 40.800 0.012 0.000 1.084 612 D HN 0.391 nan 8.370 nan 0.000 0.432 613 Y N 0.610 120.979 120.300 0.116 0.000 2.852 613 Y HA 0.150 4.698 4.550 -0.003 0.000 0.343 613 Y C 0.888 176.829 175.900 0.067 0.000 1.280 613 Y CA 0.081 58.259 58.100 0.129 0.000 1.604 613 Y CB -0.273 38.279 38.460 0.154 0.000 1.216 613 Y HN 0.367 nan 8.280 nan 0.000 0.541 614 C N 3.448 122.566 119.300 -0.304 0.000 3.455 614 C HA 0.655 5.114 4.460 -0.002 0.000 0.357 614 C C 1.369 176.094 174.990 -0.442 0.000 3.109 614 C CA -0.153 58.633 59.018 -0.386 0.000 1.483 614 C CB 0.606 28.247 27.740 -0.166 0.000 3.542 614 C HN 0.573 nan 8.230 nan 0.000 0.511 615 V N 1.539 121.320 119.914 -0.220 0.000 2.244 615 V HA -0.109 4.010 4.120 -0.002 0.000 0.244 615 V C 2.742 178.821 176.094 -0.025 0.000 1.042 615 V CA 2.847 65.110 62.300 -0.063 0.000 1.006 615 V CB -1.353 30.451 31.823 -0.031 0.000 0.641 615 V HN 0.937 nan 8.190 nan 0.000 0.446 616 S N 0.621 116.280 115.700 -0.069 0.000 2.374 616 S HA -0.252 4.217 4.470 -0.002 0.000 0.227 616 S C 2.241 176.800 174.600 -0.068 0.000 1.037 616 S CA 1.620 59.774 58.200 -0.076 0.000 1.024 616 S CB -0.690 62.476 63.200 -0.058 0.000 0.861 616 S HN 0.661 nan 8.310 nan 0.000 0.456 617 A N 1.475 124.297 122.820 0.004 0.000 1.948 617 A HA -0.006 4.313 4.320 -0.002 0.000 0.220 617 A C 2.341 180.011 177.584 0.144 0.000 1.177 617 A CA 1.866 53.965 52.037 0.104 0.000 0.636 617 A CB -1.033 18.159 19.000 0.319 0.000 0.815 617 A HN 0.555 nan 8.150 nan 0.000 0.449 618 A N -0.324 122.616 122.820 0.199 0.000 1.968 618 A HA -0.103 4.216 4.320 -0.002 0.000 0.217 618 A C 1.799 179.547 177.584 0.274 0.000 1.169 618 A CA 1.360 53.605 52.037 0.346 0.000 0.638 618 A CB -0.454 18.775 19.000 0.382 0.000 0.812 618 A HN 0.643 nan 8.150 nan 0.000 0.446 619 E N -0.337 119.949 120.200 0.143 0.000 2.338 619 E HA -0.147 4.201 4.350 -0.002 0.000 0.197 619 E C 1.638 178.219 176.600 -0.032 0.000 1.007 619 E CA 1.011 57.428 56.400 0.028 0.000 0.849 619 E CB -0.028 29.587 29.700 -0.143 0.000 0.774 619 E HN 0.611 nan 8.360 nan 0.000 0.506 620 K N -0.113 120.229 120.400 -0.096 0.000 2.262 620 K HA 0.111 4.430 4.320 -0.002 0.000 0.200 620 K C 2.049 178.638 176.600 -0.018 0.000 1.058 620 K CA 0.059 56.248 56.287 -0.163 0.000 0.974 620 K CB 0.245 32.427 32.500 -0.531 0.000 0.910 620 K HN -0.010 nan 8.250 nan 0.000 0.484 621 L N 1.233 122.488 121.223 0.052 0.000 2.005 621 L HA -0.146 4.192 4.340 -0.002 0.000 0.207 621 L C 2.333 179.267 176.870 0.106 0.000 1.072 621 L CA 1.297 56.208 54.840 0.118 0.000 0.744 621 L CB -0.410 41.735 42.059 0.142 0.000 0.895 621 L HN 0.134 nan 8.230 nan 0.000 0.433 622 I N -0.159 120.480 120.570 0.115 0.000 2.151 622 I HA -0.248 3.921 4.170 -0.002 0.000 0.243 622 I C -0.426 175.735 176.117 0.074 0.000 1.080 622 I CA 1.554 62.911 61.300 0.094 0.000 1.339 622 I CB -1.436 36.647 38.000 0.138 0.000 1.039 622 I HN 0.221 nan 8.210 nan 0.000 0.409 623 P HA -0.110 nan 4.420 nan 0.000 0.222 623 P C 0.379 177.690 177.300 0.018 0.000 1.147 623 P CA 1.190 64.307 63.100 0.028 0.000 0.790 623 P CB 0.087 31.793 31.700 0.010 0.000 0.780 624 A N -1.374 121.480 122.820 0.057 0.000 2.827 624 A HA 0.636 4.955 4.320 -0.002 0.000 0.300 624 A C 0.514 178.168 177.584 0.116 0.000 1.237 624 A CA -0.329 51.747 52.037 0.066 0.000 0.964 624 A CB -0.493 18.582 19.000 0.126 0.000 1.143 624 A HN 0.130 nan 8.150 nan 0.000 0.554 625 A N -0.552 122.321 122.820 0.090 0.000 2.306 625 A HA 0.608 4.926 4.320 -0.002 0.000 0.314 625 A C 0.220 177.870 177.584 0.111 0.000 1.164 625 A CA -0.355 51.743 52.037 0.102 0.000 0.822 625 A CB 0.618 19.651 19.000 0.053 0.000 1.130 625 A HN 0.244 nan 8.150 nan 0.000 0.496 626 D N 0.301 120.773 120.400 0.120 0.000 2.525 626 D HA 0.183 4.821 4.640 -0.002 0.000 0.248 626 D C 0.063 176.541 176.300 0.296 0.000 1.000 626 D CA 0.956 55.074 54.000 0.196 0.000 0.923 626 D CB 0.366 41.129 40.800 -0.063 0.000 1.101 626 D HN 0.354 nan 8.370 nan 0.000 0.493 627 I N 0.559 121.195 120.570 0.110 0.000 2.569 627 I HA 0.203 4.371 4.170 -0.002 0.000 0.296 627 I C -0.283 175.837 176.117 0.004 0.000 1.028 627 I CA -0.586 60.767 61.300 0.089 0.000 1.082 627 I CB 1.976 39.965 38.000 -0.019 0.000 1.264 627 I HN -0.264 nan 8.210 nan 0.000 0.429 628 S N 5.338 121.045 115.700 0.012 0.000 2.448 628 S HA 0.305 4.774 4.470 -0.002 0.000 0.320 628 S C -0.273 174.310 174.600 -0.028 0.000 1.071 628 S CA -0.559 57.622 58.200 -0.032 0.000 1.113 628 S CB 0.233 63.408 63.200 -0.042 0.000 0.972 628 S HN 0.361 nan 8.310 nan 0.000 0.465 629 E N 3.958 124.113 120.200 -0.076 0.000 1.996 629 E HA 0.179 4.527 4.350 -0.002 0.000 0.280 629 E C -0.433 176.120 176.600 -0.079 0.000 1.092 629 E CA -0.256 56.105 56.400 -0.065 0.000 0.862 629 E CB 0.819 30.437 29.700 -0.136 0.000 1.066 629 E HN 0.560 nan 8.360 nan 0.000 0.396 630 Q N 2.340 122.121 119.800 -0.030 0.000 2.831 630 Q HA 0.236 4.575 4.340 -0.002 0.000 0.366 630 Q C 0.706 176.671 176.000 -0.058 0.000 0.899 630 Q CA -0.159 55.607 55.803 -0.063 0.000 0.987 630 Q CB -0.141 28.559 28.738 -0.064 0.000 1.382 630 Q HN 0.572 nan 8.270 nan 0.000 0.403 631 I N -1.594 118.932 120.570 -0.073 0.000 3.764 631 I HA 0.267 4.436 4.170 -0.002 0.000 0.336 631 I C 0.304 176.335 176.117 -0.143 0.000 1.465 631 I CA -0.583 60.660 61.300 -0.096 0.000 1.221 631 I CB -0.005 37.894 38.000 -0.169 0.000 1.348 631 I HN -0.050 nan 8.210 nan 0.000 0.432 632 S N 0.110 115.733 115.700 -0.128 0.000 2.580 632 S HA 0.251 4.719 4.470 -0.002 0.000 0.274 632 S C 0.507 175.066 174.600 -0.067 0.000 1.329 632 S CA -0.397 57.752 58.200 -0.085 0.000 1.036 632 S CB 0.839 64.022 63.200 -0.028 0.000 0.919 632 S HN 0.370 nan 8.310 nan 0.000 0.515 633 T N 3.328 117.879 114.554 -0.004 0.000 2.822 633 T HA 0.293 4.642 4.350 -0.002 0.000 0.288 633 T C 0.850 175.551 174.700 0.002 0.000 0.991 633 T CA 0.534 62.648 62.100 0.023 0.000 1.176 633 T CB -0.502 68.457 68.868 0.152 0.000 0.951 633 T HN 1.073 nan 8.240 nan 0.000 0.526 634 A N 3.559 126.352 122.820 -0.045 0.000 2.608 634 A HA 0.380 4.699 4.320 -0.002 0.000 0.239 634 A C 1.651 179.221 177.584 -0.023 0.000 1.018 634 A CA 0.368 52.376 52.037 -0.048 0.000 0.766 634 A CB -0.779 18.194 19.000 -0.046 0.000 0.928 634 A HN 1.857 nan 8.150 nan 0.000 0.512 635 G N 1.970 110.755 108.800 -0.025 0.000 2.198 635 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.260 635 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.260 635 G C 0.660 175.533 174.900 -0.046 0.000 1.025 635 G CA 0.750 45.836 45.100 -0.024 0.000 0.769 635 G HN 0.790 nan 8.290 nan 0.000 0.507 636 K N -0.709 119.659 120.400 -0.054 0.000 2.474 636 K HA 0.131 4.450 4.320 -0.002 0.000 0.202 636 K C 0.738 177.159 176.600 -0.298 0.000 1.248 636 K CA 0.209 56.383 56.287 -0.188 0.000 0.946 636 K CB 0.753 33.221 32.500 -0.054 0.000 1.102 636 K HN 0.354 nan 8.250 nan 0.000 0.541 637 E N 1.970 122.176 120.200 0.010 0.000 1.932 637 E HA 0.293 4.642 4.350 -0.002 0.000 0.259 637 E C 0.746 177.327 176.600 -0.032 0.000 1.099 637 E CA -0.042 56.438 56.400 0.134 0.000 0.970 637 E CB 0.355 30.140 29.700 0.142 0.000 1.143 637 E HN 0.215 nan 8.360 nan 0.000 0.441 638 A N 2.880 125.605 122.820 -0.157 0.000 1.886 638 A HA -0.370 3.948 4.320 -0.002 0.000 0.240 638 A C 1.969 179.458 177.584 -0.159 0.000 1.875 638 A CA 2.697 54.550 52.037 -0.308 0.000 0.760 638 A CB -0.802 17.929 19.000 -0.448 0.000 0.849 638 A HN 0.600 nan 8.150 nan 0.000 0.505 639 S N -3.917 111.738 115.700 -0.075 0.000 4.163 639 S HA 0.499 4.968 4.470 -0.002 0.000 0.164 639 S C 0.350 174.947 174.600 -0.005 0.000 0.896 639 S CA 1.241 59.440 58.200 -0.002 0.000 1.125 639 S CB 0.541 63.764 63.200 0.039 0.000 1.698 639 S HN 2.419 nan 8.310 nan 0.000 0.817 640 G N 0.835 109.625 108.800 -0.017 0.000 3.305 640 G HA2 0.117 4.075 3.960 -0.002 0.000 0.649 640 G HA3 0.117 4.075 3.960 -0.002 0.000 0.649 640 G C 0.083 174.939 174.900 -0.074 0.000 1.255 640 G CA 0.254 45.324 45.100 -0.051 0.000 1.137 640 G HN 0.777 nan 8.290 nan 0.000 0.535 641 T N 0.312 114.796 114.554 -0.116 0.000 3.021 641 T HA 0.285 4.633 4.350 -0.002 0.000 0.245 641 T C 2.572 177.122 174.700 -0.250 0.000 1.028 641 T CA 1.604 63.601 62.100 -0.171 0.000 1.139 641 T CB -0.137 68.608 68.868 -0.206 0.000 0.884 641 T HN 1.448 nan 8.240 nan 0.000 0.457 642 G N 3.891 112.549 108.800 -0.237 0.000 2.545 642 G HA2 -0.356 3.602 3.960 -0.002 0.000 0.217 642 G HA3 -0.356 3.602 3.960 -0.002 0.000 0.217 642 G C 1.606 176.372 174.900 -0.224 0.000 1.218 642 G CA 1.425 46.371 45.100 -0.256 0.000 0.787 642 G HN 0.627 nan 8.290 nan 0.000 0.571 643 N N 1.228 119.817 118.700 -0.185 0.000 2.089 643 N HA -0.279 4.459 4.740 -0.002 0.000 0.198 643 N C 2.107 177.475 175.510 -0.236 0.000 1.017 643 N CA 2.467 55.405 53.050 -0.187 0.000 0.880 643 N CB -0.909 37.473 38.487 -0.175 0.000 1.042 643 N HN 0.463 nan 8.380 nan 0.000 0.446 644 M N 0.507 119.938 119.600 -0.281 0.000 2.117 644 M HA -0.052 4.426 4.480 -0.002 0.000 0.262 644 M C 2.170 178.347 176.300 -0.205 0.000 1.065 644 M CA 1.657 56.754 55.300 -0.339 0.000 1.114 644 M CB -0.284 32.151 32.600 -0.275 0.000 1.361 644 M HN 0.166 nan 8.290 nan 0.000 0.408 645 K N 0.707 120.988 120.400 -0.199 0.000 2.032 645 K HA -0.139 4.180 4.320 -0.002 0.000 0.209 645 K C 1.882 178.437 176.600 -0.075 0.000 1.048 645 K CA 1.294 57.497 56.287 -0.141 0.000 0.927 645 K CB -0.464 31.861 32.500 -0.291 0.000 0.712 645 K HN 0.307 nan 8.250 nan 0.000 0.441 646 L N 0.489 121.649 121.223 -0.104 0.000 2.056 646 L HA -0.135 4.203 4.340 -0.002 0.000 0.207 646 L C 2.555 179.388 176.870 -0.062 0.000 1.078 646 L CA 1.066 55.867 54.840 -0.065 0.000 0.749 646 L CB -0.475 41.539 42.059 -0.075 0.000 0.901 646 L HN 0.218 nan 8.230 nan 0.000 0.433 647 A N -0.505 122.253 122.820 -0.104 0.000 2.066 647 A HA -0.041 4.278 4.320 -0.002 0.000 0.218 647 A C 2.220 179.770 177.584 -0.057 0.000 1.157 647 A CA 0.939 52.915 52.037 -0.101 0.000 0.670 647 A CB -0.404 18.499 19.000 -0.162 0.000 0.804 647 A HN 0.354 nan 8.150 nan 0.000 0.453 648 L N -0.554 120.643 121.223 -0.044 0.000 2.131 648 L HA -0.047 4.292 4.340 -0.002 0.000 0.206 648 L C 1.435 178.302 176.870 -0.004 0.000 1.087 648 L CA 0.619 55.459 54.840 -0.001 0.000 0.767 648 L CB -0.349 41.728 42.059 0.031 0.000 0.917 648 L HN 0.339 nan 8.230 nan 0.000 0.441 649 N N 0.695 119.389 118.700 -0.009 0.000 2.515 649 N HA 0.001 4.739 4.740 -0.002 0.000 0.191 649 N C 0.784 176.272 175.510 -0.036 0.000 1.182 649 N CA 0.946 53.978 53.050 -0.030 0.000 0.879 649 N CB 0.385 38.873 38.487 0.001 0.000 0.984 649 N HN 0.398 nan 8.380 nan 0.000 0.453 650 G N 0.224 109.036 108.800 0.019 0.000 2.414 650 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.256 650 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.256 650 G C -0.359 174.596 174.900 0.090 0.000 1.128 650 G CA 0.019 45.184 45.100 0.109 0.000 0.944 650 G HN 0.517 nan 8.290 nan 0.000 0.500 651 A N 1.208 124.038 122.820 0.017 0.000 2.374 651 A HA 0.813 5.131 4.320 -0.002 0.000 0.305 651 A C 0.229 177.757 177.584 -0.094 0.000 1.053 651 A CA -0.735 51.310 52.037 0.014 0.000 0.726 651 A CB 1.361 20.378 19.000 0.027 0.000 1.229 651 A HN 0.681 nan 8.150 nan 0.000 0.431 652 L N 1.209 122.317 121.223 -0.192 0.000 2.464 652 L HA 0.362 4.700 4.340 -0.002 0.000 0.264 652 L C 0.489 177.321 176.870 -0.063 0.000 1.199 652 L CA 0.477 55.146 54.840 -0.285 0.000 0.818 652 L CB 0.972 42.681 42.059 -0.584 0.000 1.102 652 L HN 0.748 nan 8.230 nan 0.000 0.473 653 T N 1.451 115.978 114.554 -0.045 0.000 2.807 653 T HA 0.455 4.804 4.350 -0.002 0.000 0.279 653 T C -0.318 174.501 174.700 0.199 0.000 0.993 653 T CA -0.344 61.781 62.100 0.041 0.000 0.970 653 T CB 1.852 70.698 68.868 -0.036 0.000 0.950 653 T HN 0.236 nan 8.240 nan 0.000 0.441 654 V N 3.445 123.490 119.914 0.219 0.000 2.334 654 V HA 0.845 4.964 4.120 -0.002 0.000 0.281 654 V C 0.612 176.934 176.094 0.380 0.000 1.016 654 V CA -0.163 62.325 62.300 0.313 0.000 0.832 654 V CB 0.829 32.751 31.823 0.165 0.000 0.999 654 V HN 1.107 nan 8.190 nan 0.000 0.439 655 G N 3.313 112.394 108.800 0.468 0.000 2.561 655 G HA2 0.706 4.664 3.960 -0.002 0.000 0.310 655 G HA3 0.706 4.664 3.960 -0.002 0.000 0.310 655 G C -0.597 174.107 174.900 -0.327 0.000 1.292 655 G CA 0.175 45.389 45.100 0.190 0.000 0.811 655 G HN 0.703 nan 8.290 nan 0.000 0.482 656 T N -1.961 112.305 114.554 -0.480 0.000 2.927 656 T HA 0.597 4.946 4.350 -0.002 0.000 0.286 656 T C 0.126 174.688 174.700 -0.230 0.000 1.040 656 T CA -0.783 61.008 62.100 -0.514 0.000 1.010 656 T CB 1.529 70.021 68.868 -0.626 0.000 1.177 656 T HN 0.424 nan 8.240 nan 0.000 0.546 657 L N 2.534 123.651 121.223 -0.177 0.000 2.388 657 L HA 0.332 4.671 4.340 -0.002 0.000 0.252 657 L C -0.225 176.601 176.870 -0.073 0.000 1.357 657 L CA 0.919 55.705 54.840 -0.091 0.000 1.214 657 L CB -1.778 40.243 42.059 -0.063 0.000 1.392 657 L HN 0.852 nan 8.230 nan 0.000 0.432 658 D N 0.328 120.686 120.400 -0.070 0.000 2.837 658 D HA 0.558 5.196 4.640 -0.002 0.000 0.220 658 D C 0.325 176.609 176.300 -0.026 0.000 1.236 658 D CA 0.693 54.666 54.000 -0.044 0.000 0.838 658 D CB 1.900 42.666 40.800 -0.056 0.000 1.647 658 D HN 0.422 nan 8.370 nan 0.000 0.486 659 G N 1.762 110.560 108.800 -0.002 0.000 2.527 659 G HA2 -0.046 3.913 3.960 -0.002 0.000 0.268 659 G HA3 -0.046 3.913 3.960 -0.002 0.000 0.268 659 G C 0.961 175.881 174.900 0.033 0.000 1.175 659 G CA 0.638 45.744 45.100 0.010 0.000 0.962 659 G HN 1.363 nan 8.290 nan 0.000 0.560 660 A N 0.203 123.043 122.820 0.034 0.000 2.208 660 A HA 0.231 4.550 4.320 -0.002 0.000 0.209 660 A C 1.937 179.540 177.584 0.031 0.000 1.161 660 A CA 1.539 53.626 52.037 0.083 0.000 0.782 660 A CB -0.559 18.498 19.000 0.095 0.000 0.816 660 A HN 0.682 nan 8.150 nan 0.000 0.477 661 N N 0.657 119.342 118.700 -0.025 0.000 2.104 661 N HA -0.183 4.555 4.740 -0.002 0.000 0.190 661 N C 1.767 177.270 175.510 -0.012 0.000 1.024 661 N CA 1.750 54.769 53.050 -0.051 0.000 0.853 661 N CB -0.486 37.962 38.487 -0.065 0.000 1.008 661 N HN 0.487 nan 8.380 nan 0.000 0.424 662 V N -0.524 119.395 119.914 0.008 0.000 2.392 662 V HA -0.202 3.917 4.120 -0.002 0.000 0.249 662 V C 1.829 177.959 176.094 0.060 0.000 1.059 662 V CA 1.660 63.972 62.300 0.021 0.000 1.051 662 V CB -0.690 31.144 31.823 0.018 0.000 0.658 662 V HN 0.134 nan 8.190 nan 0.000 0.455 663 E N 0.772 121.043 120.200 0.118 0.000 2.008 663 E HA 0.002 4.351 4.350 -0.002 0.000 0.191 663 E C 2.124 178.886 176.600 0.269 0.000 0.986 663 E CA 1.827 58.348 56.400 0.202 0.000 0.807 663 E CB -0.369 29.523 29.700 0.319 0.000 0.766 663 E HN 0.641 nan 8.360 nan 0.000 0.450 664 I N 0.950 121.686 120.570 0.276 0.000 2.236 664 I HA -0.346 3.823 4.170 -0.002 0.000 0.249 664 I C 2.350 178.487 176.117 0.034 0.000 1.102 664 I CA 1.146 62.495 61.300 0.081 0.000 1.365 664 I CB -0.474 37.364 38.000 -0.271 0.000 1.051 664 I HN 0.139 nan 8.210 nan 0.000 0.420 665 A N 0.495 123.324 122.820 0.015 0.000 1.898 665 A HA -0.227 4.091 4.320 -0.002 0.000 0.216 665 A C 2.406 179.995 177.584 0.008 0.000 1.181 665 A CA 1.685 53.716 52.037 -0.010 0.000 0.620 665 A CB -0.571 18.420 19.000 -0.013 0.000 0.819 665 A HN 0.542 nan 8.150 nan 0.000 0.442 666 E N 0.120 120.341 120.200 0.035 0.000 2.031 666 E HA -0.246 4.103 4.350 -0.002 0.000 0.193 666 E C 1.701 178.320 176.600 0.032 0.000 0.994 666 E CA 1.323 57.741 56.400 0.029 0.000 0.800 666 E CB -0.241 29.481 29.700 0.036 0.000 0.752 666 E HN 0.338 nan 8.360 nan 0.000 0.447 667 K N 0.643 121.084 120.400 0.069 0.000 1.969 667 K HA -0.178 4.141 4.320 -0.002 0.000 0.223 667 K C 2.455 179.076 176.600 0.035 0.000 1.048 667 K CA 1.744 58.073 56.287 0.070 0.000 0.983 667 K CB -1.306 31.291 32.500 0.161 0.000 0.738 667 K HN 0.347 nan 8.250 nan 0.000 0.446 668 V N -1.666 118.266 119.914 0.030 0.000 2.453 668 V HA -0.040 4.079 4.120 -0.002 0.000 0.252 668 V C 1.028 177.096 176.094 -0.043 0.000 1.068 668 V CA 1.520 63.809 62.300 -0.018 0.000 1.070 668 V CB -1.450 30.341 31.823 -0.054 0.000 0.664 668 V HN 0.582 nan 8.190 nan 0.000 0.461 669 G N 0.034 108.811 108.800 -0.038 0.000 2.784 669 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.686 669 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.686 669 G C 0.079 174.935 174.900 -0.072 0.000 1.156 669 G CA 0.226 45.298 45.100 -0.047 0.000 0.757 669 G HN 0.840 nan 8.290 nan 0.000 0.642 670 E N 0.383 120.549 120.200 -0.057 0.000 2.267 670 E HA -0.190 4.159 4.350 -0.002 0.000 0.197 670 E C 1.754 178.294 176.600 -0.099 0.000 0.998 670 E CA 2.057 58.418 56.400 -0.065 0.000 0.830 670 E CB -0.005 29.677 29.700 -0.031 0.000 0.751 670 E HN 0.628 nan 8.360 nan 0.000 0.491 671 E N 0.881 121.022 120.200 -0.098 0.000 2.152 671 E HA -0.067 4.281 4.350 -0.002 0.000 0.192 671 E C 0.581 177.063 176.600 -0.196 0.000 0.983 671 E CA 0.908 57.241 56.400 -0.112 0.000 0.818 671 E CB 0.041 29.694 29.700 -0.079 0.000 0.758 671 E HN 0.285 nan 8.360 nan 0.000 0.467 672 N N 0.662 119.229 118.700 -0.221 0.000 2.453 672 N HA 0.247 4.985 4.740 -0.002 0.000 0.270 672 N C -0.496 174.769 175.510 -0.408 0.000 1.195 672 N CA 0.045 52.908 53.050 -0.312 0.000 0.902 672 N CB 1.145 39.495 38.487 -0.229 0.000 1.186 672 N HN 0.135 nan 8.380 nan 0.000 0.510 673 I N -0.714 119.563 120.570 -0.490 0.000 2.752 673 I HA 0.260 4.428 4.170 -0.002 0.000 0.290 673 I C -1.662 174.191 176.117 -0.440 0.000 1.507 673 I CA -0.710 60.309 61.300 -0.470 0.000 1.038 673 I CB 1.355 39.222 38.000 -0.223 0.000 1.390 673 I HN -0.251 nan 8.210 nan 0.000 0.435 674 F N 7.842 127.782 119.950 -0.017 0.000 2.334 674 F HA 0.447 4.973 4.527 -0.003 0.000 0.365 674 F C 0.168 176.043 175.800 0.126 0.000 1.124 674 F CA -0.524 57.502 58.000 0.043 0.000 1.166 674 F CB 0.324 39.345 39.000 0.035 0.000 1.355 674 F HN 0.050 nan 8.300 nan 0.000 0.532 675 I N 4.841 125.559 120.570 0.248 0.000 2.392 675 I HA 0.474 4.643 4.170 -0.002 0.000 0.295 675 I C -0.140 176.155 176.117 0.297 0.000 0.985 675 I CA -0.802 60.622 61.300 0.208 0.000 1.221 675 I CB 1.098 39.137 38.000 0.066 0.000 1.366 675 I HN 0.441 nan 8.210 nan 0.000 0.467 676 F N 2.179 122.155 119.950 0.043 0.000 2.923 676 F HA 0.891 5.417 4.527 -0.001 0.000 0.323 676 F C 0.050 175.843 175.800 -0.011 0.000 1.189 676 F CA -0.565 57.450 58.000 0.025 0.000 0.930 676 F CB 0.924 39.956 39.000 0.053 0.000 1.414 676 F HN 0.814 nan 8.300 nan 0.000 0.496 677 G N 0.202 109.015 108.800 0.021 0.000 2.796 677 G HA2 0.008 3.966 3.960 -0.002 0.000 0.571 677 G HA3 0.008 3.966 3.960 -0.002 0.000 0.571 677 G C -1.575 173.204 174.900 -0.203 0.000 1.370 677 G CA -0.590 44.407 45.100 -0.171 0.000 0.856 677 G HN 1.171 nan 8.290 nan 0.000 0.538 678 H N 0.836 119.880 119.070 -0.043 0.000 2.580 678 H HA 0.477 5.033 4.556 -0.001 0.000 0.322 678 H C 1.309 176.597 175.328 -0.066 0.000 1.082 678 H CA 0.643 56.673 56.048 -0.029 0.000 1.383 678 H CB 0.905 30.646 29.762 -0.034 0.000 1.450 678 H HN 0.903 nan 8.280 nan 0.000 0.505 679 T N -0.754 113.846 114.554 0.078 0.000 2.898 679 T HA 0.058 4.407 4.350 -0.002 0.000 0.301 679 T C 1.834 176.542 174.700 0.013 0.000 1.049 679 T CA -0.719 61.390 62.100 0.015 0.000 1.095 679 T CB 0.651 69.528 68.868 0.015 0.000 0.976 679 T HN 0.290 nan 8.240 nan 0.000 0.539 680 V N 2.487 122.393 119.914 -0.013 0.000 2.277 680 V HA -0.294 3.824 4.120 -0.002 0.000 0.255 680 V C 2.722 178.802 176.094 -0.023 0.000 1.074 680 V CA 2.577 64.864 62.300 -0.022 0.000 1.058 680 V CB -1.154 30.654 31.823 -0.024 0.000 0.656 680 V HN 1.003 nan 8.190 nan 0.000 0.449 681 E N -0.482 119.711 120.200 -0.013 0.000 2.267 681 E HA -0.262 4.087 4.350 -0.002 0.000 0.197 681 E C 2.189 178.780 176.600 -0.015 0.000 0.998 681 E CA 1.304 57.696 56.400 -0.013 0.000 0.830 681 E CB -0.159 29.539 29.700 -0.003 0.000 0.751 681 E HN 0.741 nan 8.360 nan 0.000 0.491 682 Q N -0.267 119.528 119.800 -0.009 0.000 2.391 682 Q HA 0.028 4.366 4.340 -0.002 0.000 0.211 682 Q C 2.173 178.100 176.000 -0.122 0.000 0.908 682 Q CA 0.225 56.005 55.803 -0.037 0.000 0.920 682 Q CB 0.568 29.327 28.738 0.034 0.000 1.056 682 Q HN 0.092 nan 8.270 nan 0.000 0.523 683 V N 1.514 121.371 119.914 -0.096 0.000 2.427 683 V HA -0.245 3.874 4.120 -0.002 0.000 0.248 683 V C 1.954 177.964 176.094 -0.140 0.000 1.051 683 V CA 1.758 63.968 62.300 -0.149 0.000 1.048 683 V CB -0.344 31.422 31.823 -0.095 0.000 0.666 683 V HN 0.267 nan 8.190 nan 0.000 0.456 684 K N 0.531 120.877 120.400 -0.089 0.000 2.001 684 K HA -0.047 4.271 4.320 -0.002 0.000 0.208 684 K C 2.368 178.931 176.600 -0.062 0.000 1.048 684 K CA 1.397 57.641 56.287 -0.071 0.000 0.932 684 K CB -0.495 31.974 32.500 -0.052 0.000 0.715 684 K HN 0.418 nan 8.250 nan 0.000 0.437 685 A N 1.669 124.457 122.820 -0.053 0.000 1.978 685 A HA -0.178 4.140 4.320 -0.002 0.000 0.220 685 A C 2.065 179.630 177.584 -0.032 0.000 1.170 685 A CA 1.303 53.320 52.037 -0.033 0.000 0.636 685 A CB -0.499 18.488 19.000 -0.022 0.000 0.810 685 A HN 0.131 nan 8.150 nan 0.000 0.448 686 I N -0.156 120.368 120.570 -0.076 0.000 2.162 686 I HA -0.157 4.012 4.170 -0.002 0.000 0.238 686 I C 2.244 178.346 176.117 -0.026 0.000 1.076 686 I CA 1.194 62.455 61.300 -0.066 0.000 1.353 686 I CB -1.239 36.626 38.000 -0.225 0.000 1.063 686 I HN 0.289 nan 8.210 nan 0.000 0.408 687 L N 0.384 121.552 121.223 -0.091 0.000 2.633 687 L HA -0.113 4.225 4.340 -0.002 0.000 0.235 687 L C 2.373 179.246 176.870 0.006 0.000 1.163 687 L CA 0.453 55.269 54.840 -0.039 0.000 0.859 687 L CB -0.660 41.345 42.059 -0.090 0.000 0.973 687 L HN 0.194 nan 8.230 nan 0.000 0.451 688 A N 1.487 124.309 122.820 0.004 0.000 1.896 688 A HA -0.073 4.246 4.320 -0.002 0.000 0.213 688 A C 1.835 179.437 177.584 0.030 0.000 1.306 688 A CA 0.397 52.440 52.037 0.010 0.000 0.626 688 A CB -0.219 18.780 19.000 -0.003 0.000 0.994 688 A HN 0.409 nan 8.150 nan 0.000 0.475 689 K N 0.399 120.821 120.400 0.038 0.000 2.773 689 K HA 0.356 4.674 4.320 -0.002 0.000 0.222 689 K C 0.522 177.167 176.600 0.074 0.000 0.985 689 K CA 0.396 56.712 56.287 0.048 0.000 1.126 689 K CB -1.319 31.209 32.500 0.047 0.000 0.919 689 K HN 1.052 nan 8.250 nan 0.000 0.487 690 G N 1.026 109.876 108.800 0.084 0.000 2.977 690 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.686 690 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.686 690 G C -1.477 173.546 174.900 0.205 0.000 1.088 690 G CA -0.406 44.762 45.100 0.114 0.000 0.845 690 G HN 0.454 nan 8.290 nan 0.000 0.565 691 Y N 2.359 122.696 120.300 0.062 0.000 2.326 691 Y HA 0.606 5.155 4.550 -0.002 0.000 0.329 691 Y C -0.737 175.232 175.900 0.115 0.000 0.973 691 Y CA -1.717 56.445 58.100 0.103 0.000 1.162 691 Y CB 2.193 40.673 38.460 0.033 0.000 1.147 691 Y HN 0.560 nan 8.280 nan 0.000 0.456 692 D N 9.096 129.378 120.400 -0.196 0.000 2.454 692 D HA 0.319 4.958 4.640 -0.002 0.000 0.225 692 D C -1.923 174.169 176.300 -0.346 0.000 1.081 692 D CA -2.540 51.325 54.000 -0.224 0.000 0.864 692 D CB 1.895 42.669 40.800 -0.043 0.000 1.040 692 D HN 0.361 nan 8.370 nan 0.000 0.517 693 P HA -0.129 nan 4.420 nan 0.000 0.217 693 P C 1.390 178.661 177.300 -0.050 0.000 1.151 693 P CA 0.476 63.330 63.100 -0.411 0.000 0.828 693 P CB 0.538 32.058 31.700 -0.300 0.000 0.788 694 V N 0.636 120.516 119.914 -0.057 0.000 2.515 694 V HA -0.175 3.944 4.120 -0.002 0.000 0.250 694 V C 2.798 178.900 176.094 0.014 0.000 1.058 694 V CA 1.894 64.183 62.300 -0.018 0.000 1.064 694 V CB -1.310 30.489 31.823 -0.040 0.000 0.675 694 V HN 0.101 nan 8.190 nan 0.000 0.461 695 K N -0.259 120.154 120.400 0.021 0.000 2.057 695 K HA -0.180 4.139 4.320 -0.002 0.000 0.207 695 K C 1.757 178.364 176.600 0.012 0.000 1.049 695 K CA 1.725 58.007 56.287 -0.008 0.000 0.931 695 K CB -0.416 32.058 32.500 -0.045 0.000 0.714 695 K HN 0.488 nan 8.250 nan 0.000 0.440 696 W N 1.036 122.297 121.300 -0.066 0.000 2.355 696 W HA -0.015 4.642 4.660 -0.005 0.000 0.309 696 W C 2.388 178.893 176.519 -0.023 0.000 1.206 696 W CA 1.627 58.970 57.345 -0.004 0.000 1.284 696 W CB -0.456 29.032 29.460 0.047 0.000 1.145 696 W HN 0.102 nan 8.180 nan 0.000 0.502 697 R N 0.745 121.354 120.500 0.183 0.000 2.133 697 R HA -0.251 4.087 4.340 -0.002 0.000 0.247 697 R C 1.864 178.169 176.300 0.009 0.000 1.151 697 R CA 1.857 57.984 56.100 0.044 0.000 0.971 697 R CB -0.155 30.143 30.300 -0.004 0.000 0.866 697 R HN -0.059 nan 8.270 nan 0.000 0.447 698 K N 0.360 120.766 120.400 0.009 0.000 2.103 698 K HA -0.057 4.262 4.320 -0.002 0.000 0.204 698 K C 1.845 178.434 176.600 -0.018 0.000 1.052 698 K CA 1.248 57.526 56.287 -0.015 0.000 0.945 698 K CB 0.001 32.485 32.500 -0.026 0.000 0.722 698 K HN -0.043 nan 8.250 nan 0.000 0.443 699 K N 0.695 121.082 120.400 -0.022 0.000 2.362 699 K HA -0.043 4.276 4.320 -0.002 0.000 0.200 699 K C -0.441 176.165 176.600 0.011 0.000 1.046 699 K CA 0.638 56.906 56.287 -0.031 0.000 0.952 699 K CB -0.071 32.373 32.500 -0.094 0.000 0.753 699 K HN 0.088 nan 8.250 nan 0.000 0.466 700 D N -0.835 119.587 120.400 0.036 0.000 2.440 700 D HA 0.161 4.800 4.640 -0.002 0.000 0.239 700 D C 0.186 176.494 176.300 0.013 0.000 1.084 700 D CA -0.307 53.728 54.000 0.059 0.000 0.843 700 D CB 1.029 41.903 40.800 0.122 0.000 1.097 700 D HN -0.278 nan 8.370 nan 0.000 0.531 701 K N 1.828 122.239 120.400 0.019 0.000 1.985 701 K HA -0.082 4.237 4.320 -0.002 0.000 0.210 701 K C 1.815 178.409 176.600 -0.010 0.000 1.047 701 K CA 0.848 57.135 56.287 -0.001 0.000 0.932 701 K CB -0.674 31.829 32.500 0.005 0.000 0.716 701 K HN 0.351 nan 8.250 nan 0.000 0.439 702 V N 1.145 121.075 119.914 0.026 0.000 2.469 702 V HA -0.192 3.927 4.120 -0.002 0.000 0.251 702 V C 1.911 177.983 176.094 -0.035 0.000 1.064 702 V CA 1.562 63.884 62.300 0.036 0.000 1.066 702 V CB -0.291 31.599 31.823 0.113 0.000 0.667 702 V HN 0.324 nan 8.190 nan 0.000 0.461 703 L N 0.588 121.710 121.223 -0.168 0.000 2.005 703 L HA -0.097 4.242 4.340 -0.002 0.000 0.207 703 L C 2.310 179.006 176.870 -0.289 0.000 1.072 703 L CA 2.746 57.242 54.840 -0.574 0.000 0.744 703 L CB -1.190 40.358 42.059 -0.852 0.000 0.895 703 L HN 0.433 nan 8.230 nan 0.000 0.433 704 D N -0.381 119.921 120.400 -0.163 0.000 2.133 704 D HA -0.210 4.428 4.640 -0.002 0.000 0.195 704 D C 2.001 178.255 176.300 -0.076 0.000 0.997 704 D CA 1.494 55.435 54.000 -0.098 0.000 0.840 704 D CB 0.071 40.835 40.800 -0.059 0.000 0.947 704 D HN 0.502 nan 8.370 nan 0.000 0.452 705 A N 0.230 123.012 122.820 -0.064 0.000 1.841 705 A HA -0.113 4.206 4.320 -0.002 0.000 0.214 705 A C 2.710 180.272 177.584 -0.036 0.000 1.195 705 A CA 1.799 53.810 52.037 -0.043 0.000 0.611 705 A CB -1.005 17.975 19.000 -0.032 0.000 0.835 705 A HN 0.175 nan 8.150 nan 0.000 0.443 706 V N -0.198 119.695 119.914 -0.036 0.000 2.231 706 V HA -0.285 3.834 4.120 -0.002 0.000 0.248 706 V C 2.507 178.597 176.094 -0.007 0.000 1.054 706 V CA 2.194 64.492 62.300 -0.004 0.000 1.015 706 V CB -0.890 30.940 31.823 0.012 0.000 0.638 706 V HN 0.547 nan 8.190 nan 0.000 0.444 707 L N -0.121 121.069 121.223 -0.055 0.000 2.137 707 L HA -0.226 4.112 4.340 -0.002 0.000 0.213 707 L C 2.357 179.219 176.870 -0.014 0.000 1.085 707 L CA 1.934 56.748 54.840 -0.043 0.000 0.760 707 L CB -0.774 41.238 42.059 -0.078 0.000 0.893 707 L HN 0.300 nan 8.230 nan 0.000 0.434 708 K N -0.785 119.604 120.400 -0.019 0.000 2.211 708 K HA -0.133 4.185 4.320 -0.002 0.000 0.203 708 K C 1.765 178.367 176.600 0.003 0.000 1.050 708 K CA 1.134 57.415 56.287 -0.010 0.000 0.945 708 K CB -0.075 32.412 32.500 -0.022 0.000 0.732 708 K HN 0.465 nan 8.250 nan 0.000 0.451 709 E N 0.607 120.815 120.200 0.014 0.000 2.333 709 E HA -0.157 4.191 4.350 -0.002 0.000 0.198 709 E C 1.610 178.251 176.600 0.068 0.000 1.007 709 E CA 0.692 57.103 56.400 0.019 0.000 0.845 709 E CB 0.015 29.779 29.700 0.107 0.000 0.766 709 E HN 0.309 nan 8.360 nan 0.000 0.507 710 L N -0.113 121.158 121.223 0.081 0.000 2.286 710 L HA -0.012 4.326 4.340 -0.002 0.000 0.203 710 L C 2.004 178.980 176.870 0.176 0.000 1.068 710 L CA 0.547 55.439 54.840 0.087 0.000 0.811 710 L CB -0.145 41.895 42.059 -0.033 0.000 0.989 710 L HN -0.018 nan 8.230 nan 0.000 0.467 711 E N 0.611 120.875 120.200 0.108 0.000 2.150 711 E HA -0.143 4.205 4.350 -0.002 0.000 0.193 711 E C 1.941 178.585 176.600 0.073 0.000 0.985 711 E CA 1.333 57.788 56.400 0.092 0.000 0.814 711 E CB -0.122 29.598 29.700 0.033 0.000 0.752 711 E HN 0.430 nan 8.360 nan 0.000 0.466 712 S N 0.288 116.018 115.700 0.049 0.000 2.660 712 S HA 0.090 4.559 4.470 -0.002 0.000 0.228 712 S C 1.654 176.278 174.600 0.039 0.000 0.966 712 S CA 0.183 58.396 58.200 0.022 0.000 0.940 712 S CB -0.354 62.835 63.200 -0.019 0.000 0.773 712 S HN 0.387 nan 8.310 nan 0.000 0.535 713 G N 2.167 111.035 108.800 0.114 0.000 2.337 713 G HA2 -0.412 3.547 3.960 -0.002 0.000 0.290 713 G HA3 -0.412 3.547 3.960 -0.002 0.000 0.290 713 G C 0.702 175.642 174.900 0.067 0.000 1.003 713 G CA 0.871 46.064 45.100 0.155 0.000 0.825 713 G HN 0.642 nan 8.290 nan 0.000 0.509 714 K N -0.865 119.499 120.400 -0.060 0.000 2.097 714 K HA -0.068 4.250 4.320 -0.002 0.000 0.206 714 K C 1.379 177.804 176.600 -0.291 0.000 1.049 714 K CA 1.331 57.461 56.287 -0.261 0.000 0.933 714 K CB -0.112 32.082 32.500 -0.510 0.000 0.717 714 K HN 0.560 nan 8.250 nan 0.000 0.442 715 Y N 0.450 120.799 120.300 0.081 0.000 2.583 715 Y HA 0.099 4.647 4.550 -0.002 0.000 0.294 715 Y C 0.300 176.300 175.900 0.168 0.000 1.170 715 Y CA -0.329 57.806 58.100 0.058 0.000 1.265 715 Y CB 0.630 39.043 38.460 -0.078 0.000 1.119 715 Y HN 0.084 nan 8.280 nan 0.000 0.522 716 S N -2.362 113.492 115.700 0.256 0.000 2.828 716 S HA 0.156 4.625 4.470 -0.002 0.000 0.240 716 S C -0.582 174.082 174.600 0.107 0.000 0.912 716 S CA -0.830 57.487 58.200 0.196 0.000 1.100 716 S CB -0.660 62.645 63.200 0.176 0.000 1.271 716 S HN 0.358 nan 8.310 nan 0.000 0.476 717 D N 1.607 122.053 120.400 0.078 0.000 2.713 717 D HA -0.073 4.566 4.640 -0.002 0.000 0.231 717 D C 1.343 177.666 176.300 0.038 0.000 1.173 717 D CA 2.158 56.186 54.000 0.046 0.000 0.628 717 D CB -1.365 39.461 40.800 0.044 0.000 1.033 717 D HN 1.141 nan 8.370 nan 0.000 0.419 718 G N -0.400 108.425 108.800 0.042 0.000 2.345 718 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.218 718 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.218 718 G C 0.094 175.031 174.900 0.061 0.000 1.058 718 G CA -0.051 45.072 45.100 0.040 0.000 0.632 718 G HN 0.539 nan 8.290 nan 0.000 0.508 719 D N 1.784 122.221 120.400 0.063 0.000 2.359 719 D HA 0.180 4.818 4.640 -0.002 0.000 0.273 719 D C 1.571 177.943 176.300 0.121 0.000 1.362 719 D CA 0.333 54.378 54.000 0.076 0.000 1.010 719 D CB 0.326 41.145 40.800 0.031 0.000 1.090 719 D HN 0.519 nan 8.370 nan 0.000 0.521 720 K N 1.860 122.371 120.400 0.186 0.000 2.283 720 K HA -0.140 4.178 4.320 -0.002 0.000 0.202 720 K C 0.497 177.150 176.600 0.090 0.000 1.048 720 K CA 0.763 57.138 56.287 0.148 0.000 0.948 720 K CB 0.110 32.672 32.500 0.103 0.000 0.742 720 K HN 0.489 nan 8.250 nan 0.000 0.458 721 H N -0.833 118.248 119.070 0.019 0.000 2.640 721 H HA 0.225 4.780 4.556 -0.002 0.000 0.312 721 H C 0.814 176.087 175.328 -0.092 0.000 1.110 721 H CA -0.118 55.929 56.048 -0.002 0.000 1.098 721 H CB 0.308 30.059 29.762 -0.019 0.000 1.485 721 H HN 0.151 nan 8.280 nan 0.000 0.526 722 A N -0.180 122.575 122.820 -0.109 0.000 2.169 722 A HA 0.118 4.436 4.320 -0.002 0.000 0.212 722 A C 0.100 177.170 177.584 -0.857 0.000 1.153 722 A CA 0.432 52.161 52.037 -0.513 0.000 0.756 722 A CB -0.123 18.415 19.000 -0.770 0.000 0.813 722 A HN 0.312 nan 8.150 nan 0.000 0.471 723 F N -0.803 119.267 119.950 0.200 0.000 2.541 723 F HA 0.266 4.791 4.527 -0.003 0.000 0.368 723 F C 0.143 176.022 175.800 0.133 0.000 1.530 723 F CA -0.939 57.168 58.000 0.178 0.000 1.102 723 F CB 0.426 39.512 39.000 0.144 0.000 1.382 723 F HN -0.074 nan 8.300 nan 0.000 0.541 724 D N 0.177 120.680 120.400 0.172 0.000 2.183 724 D HA -0.102 4.537 4.640 -0.002 0.000 0.203 724 D C 1.988 178.339 176.300 0.086 0.000 0.969 724 D CA 1.214 55.282 54.000 0.113 0.000 0.842 724 D CB 0.174 40.953 40.800 -0.035 0.000 0.957 724 D HN 0.452 nan 8.370 nan 0.000 0.484 725 Q N -0.007 119.843 119.800 0.083 0.000 2.002 725 Q HA -0.156 4.183 4.340 -0.002 0.000 0.204 725 Q C 2.230 178.327 176.000 0.162 0.000 0.988 725 Q CA 1.149 57.003 55.803 0.085 0.000 0.843 725 Q CB -0.158 28.633 28.738 0.088 0.000 0.908 725 Q HN 0.298 nan 8.270 nan 0.000 0.420 726 M N 0.401 120.119 119.600 0.196 0.000 2.066 726 M HA -0.201 4.278 4.480 -0.002 0.000 0.259 726 M C 1.863 178.306 176.300 0.238 0.000 1.074 726 M CA 1.396 56.818 55.300 0.203 0.000 1.114 726 M CB -0.080 32.644 32.600 0.208 0.000 1.306 726 M HN 0.171 nan 8.290 nan 0.000 0.411 727 L N 0.253 121.626 121.223 0.251 0.000 2.137 727 L HA -0.275 4.064 4.340 -0.002 0.000 0.213 727 L C 2.276 179.255 176.870 0.182 0.000 1.085 727 L CA 1.919 56.883 54.840 0.207 0.000 0.760 727 L CB -1.363 40.822 42.059 0.209 0.000 0.893 727 L HN 0.425 nan 8.230 nan 0.000 0.434 728 H N -1.951 117.177 119.070 0.096 0.000 2.355 728 H HA -0.025 4.529 4.556 -0.003 0.000 0.303 728 H C 2.452 177.837 175.328 0.096 0.000 1.061 728 H CA 1.249 57.344 56.048 0.079 0.000 1.368 728 H CB -0.331 29.471 29.762 0.068 0.000 1.412 728 H HN 0.391 nan 8.280 nan 0.000 0.523 729 S N 0.902 116.752 115.700 0.250 0.000 2.387 729 S HA -0.188 4.280 4.470 -0.002 0.000 0.230 729 S C 1.946 176.674 174.600 0.213 0.000 1.035 729 S CA 1.888 60.216 58.200 0.214 0.000 1.014 729 S CB -0.498 62.830 63.200 0.213 0.000 0.836 729 S HN 0.491 nan 8.310 nan 0.000 0.466 730 I N -0.365 120.336 120.570 0.218 0.000 3.860 730 I HA 0.528 4.697 4.170 -0.002 0.000 0.319 730 I C 1.277 177.454 176.117 0.100 0.000 1.279 730 I CA -0.287 61.129 61.300 0.193 0.000 1.220 730 I CB -0.655 37.472 38.000 0.211 0.000 1.027 730 I HN 0.256 nan 8.210 nan 0.000 0.428 731 G N 0.796 109.638 108.800 0.069 0.000 2.504 731 G HA2 0.146 4.105 3.960 -0.002 0.000 0.257 731 G HA3 0.146 4.105 3.960 -0.002 0.000 0.257 731 G C 0.663 175.543 174.900 -0.033 0.000 1.451 731 G CA -0.153 44.937 45.100 -0.017 0.000 1.059 731 G HN 0.205 nan 8.290 nan 0.000 0.550 732 K N -0.892 119.457 120.400 -0.085 0.000 2.217 732 K HA -0.031 4.287 4.320 -0.002 0.000 0.202 732 K C 2.385 178.967 176.600 -0.030 0.000 1.051 732 K CA 1.094 57.342 56.287 -0.064 0.000 0.952 732 K CB -0.060 32.394 32.500 -0.078 0.000 0.736 732 K HN 0.579 nan 8.250 nan 0.000 0.453 733 Q N -0.672 119.111 119.800 -0.028 0.000 2.049 733 Q HA -0.076 4.263 4.340 -0.002 0.000 0.198 733 Q C 1.767 177.821 176.000 0.090 0.000 0.971 733 Q CA 1.719 57.566 55.803 0.073 0.000 0.833 733 Q CB -0.062 28.827 28.738 0.252 0.000 0.896 733 Q HN 0.407 nan 8.270 nan 0.000 0.434 734 G N -1.219 107.644 108.800 0.104 0.000 2.683 734 G HA2 0.136 4.094 3.960 -0.002 0.000 0.213 734 G HA3 0.136 4.094 3.960 -0.002 0.000 0.213 734 G C 0.886 175.831 174.900 0.075 0.000 1.142 734 G CA 0.392 45.553 45.100 0.100 0.000 0.793 734 G HN 0.623 nan 8.290 nan 0.000 0.534 735 G N 0.650 109.488 108.800 0.063 0.000 2.143 735 G HA2 -0.285 3.673 3.960 -0.002 0.000 0.248 735 G HA3 -0.285 3.673 3.960 -0.002 0.000 0.248 735 G C 0.309 175.290 174.900 0.136 0.000 0.991 735 G CA 0.972 46.111 45.100 0.066 0.000 0.689 735 G HN 1.129 nan 8.290 nan 0.000 0.522 736 D N -0.509 119.977 120.400 0.142 0.000 2.779 736 D HA -0.181 4.457 4.640 -0.002 0.000 0.223 736 D C 0.184 176.603 176.300 0.198 0.000 1.227 736 D CA 1.081 55.207 54.000 0.211 0.000 0.653 736 D CB -0.150 40.791 40.800 0.235 0.000 0.973 736 D HN 0.423 nan 8.370 nan 0.000 0.402 737 P HA -0.181 nan 4.420 nan 0.000 0.229 737 P C 0.336 177.476 177.300 -0.265 0.000 1.150 737 P CA 1.128 64.128 63.100 -0.167 0.000 0.765 737 P CB -0.251 31.260 31.700 -0.315 0.000 0.783 738 Y N 0.116 120.475 120.300 0.097 0.000 2.774 738 Y HA 0.268 4.817 4.550 -0.002 0.000 0.305 738 Y C 1.145 177.056 175.900 0.018 0.000 1.067 738 Y CA -1.020 57.131 58.100 0.084 0.000 1.304 738 Y CB -0.111 38.468 38.460 0.197 0.000 1.209 738 Y HN -0.325 nan 8.280 nan 0.000 0.543 739 L N 0.313 121.548 121.223 0.020 0.000 4.241 739 L HA -0.359 3.980 4.340 -0.002 0.000 0.480 739 L C 1.134 178.002 176.870 -0.004 0.000 1.086 739 L CA -0.029 54.733 54.840 -0.130 0.000 0.653 739 L CB -1.507 40.377 42.059 -0.291 0.000 1.525 739 L HN 0.366 nan 8.230 nan 0.000 0.763 740 V N -0.030 119.927 119.914 0.072 0.000 2.270 740 V HA -0.285 3.834 4.120 -0.002 0.000 0.245 740 V C 2.396 178.549 176.094 0.098 0.000 1.043 740 V CA 2.136 64.459 62.300 0.039 0.000 1.014 740 V CB -0.187 31.607 31.823 -0.050 0.000 0.645 740 V HN 0.556 nan 8.190 nan 0.000 0.447 741 M N 0.336 119.985 119.600 0.081 0.000 2.086 741 M HA -0.111 4.367 4.480 -0.002 0.000 0.261 741 M C 2.314 178.632 176.300 0.030 0.000 1.067 741 M CA 2.247 57.605 55.300 0.097 0.000 1.116 741 M CB -1.648 30.995 32.600 0.071 0.000 1.348 741 M HN 0.377 nan 8.290 nan 0.000 0.407 742 A N -0.358 122.250 122.820 -0.354 0.000 2.259 742 A HA -0.130 4.189 4.320 -0.002 0.000 0.212 742 A C 1.407 178.942 177.584 -0.081 0.000 1.178 742 A CA 1.540 53.095 52.037 -0.803 0.000 0.734 742 A CB -0.484 17.930 19.000 -0.976 0.000 0.774 742 A HN 0.478 nan 8.150 nan 0.000 0.481 743 D N -3.071 117.388 120.400 0.099 0.000 2.449 743 D HA 0.081 4.719 4.640 -0.002 0.000 0.255 743 D C 1.108 177.589 176.300 0.301 0.000 1.121 743 D CA -0.208 53.908 54.000 0.194 0.000 0.830 743 D CB -0.262 40.640 40.800 0.170 0.000 1.280 743 D HN 0.301 nan 8.370 nan 0.000 0.522 744 F N 2.798 122.856 119.950 0.180 0.000 2.085 744 F HA -0.341 4.184 4.527 -0.003 0.000 0.299 744 F C 2.044 177.969 175.800 0.209 0.000 1.096 744 F CA 2.339 60.466 58.000 0.211 0.000 1.227 744 F CB -0.033 39.067 39.000 0.167 0.000 0.983 744 F HN -0.024 nan 8.300 nan 0.000 0.482 745 A N 0.133 123.186 122.820 0.388 0.000 1.873 745 A HA 0.011 4.330 4.320 -0.002 0.000 0.215 745 A C 2.403 180.039 177.584 0.087 0.000 1.186 745 A CA 1.714 53.891 52.037 0.233 0.000 0.616 745 A CB -1.612 17.576 19.000 0.313 0.000 0.823 745 A HN 0.548 nan 8.150 nan 0.000 0.442 746 A N -1.520 121.391 122.820 0.150 0.000 1.940 746 A HA -0.136 4.183 4.320 -0.002 0.000 0.219 746 A C 2.141 179.731 177.584 0.009 0.000 1.176 746 A CA 1.808 53.928 52.037 0.138 0.000 0.631 746 A CB -0.753 18.378 19.000 0.218 0.000 0.814 746 A HN 0.741 nan 8.150 nan 0.000 0.446 747 Y N 0.674 120.796 120.300 -0.298 0.000 2.163 747 Y HA -0.117 4.432 4.550 -0.002 0.000 0.288 747 Y C 2.321 177.840 175.900 -0.636 0.000 1.136 747 Y CA 1.523 59.062 58.100 -0.936 0.000 1.147 747 Y CB -0.565 37.499 38.460 -0.660 0.000 0.987 747 Y HN 0.064 nan 8.280 nan 0.000 0.509 748 V N 0.359 119.984 119.914 -0.482 0.000 2.307 748 V HA -0.245 3.874 4.120 -0.002 0.000 0.245 748 V C 1.922 177.862 176.094 -0.257 0.000 1.045 748 V CA 2.207 64.284 62.300 -0.372 0.000 1.024 748 V CB -0.672 30.963 31.823 -0.314 0.000 0.651 748 V HN 0.186 nan 8.190 nan 0.000 0.449 749 E N -0.310 119.789 120.200 -0.167 0.000 2.515 749 E HA 0.048 4.396 4.350 -0.002 0.000 0.201 749 E C 1.592 178.124 176.600 -0.113 0.000 1.071 749 E CA 0.792 57.136 56.400 -0.093 0.000 0.880 749 E CB -0.067 29.621 29.700 -0.020 0.000 0.828 749 E HN 0.609 nan 8.360 nan 0.000 0.540 750 A N -0.795 121.891 122.820 -0.224 0.000 2.074 750 A HA 0.079 4.398 4.320 -0.002 0.000 0.200 750 A C 1.781 179.134 177.584 -0.386 0.000 1.335 750 A CA -0.192 51.716 52.037 -0.216 0.000 0.922 750 A CB 0.235 19.126 19.000 -0.183 0.000 0.972 750 A HN 0.013 nan 8.150 nan 0.000 0.475 751 Q N 0.759 120.251 119.800 -0.514 0.000 2.167 751 Q HA -0.096 4.243 4.340 -0.002 0.000 0.202 751 Q C 1.577 177.365 176.000 -0.355 0.000 0.970 751 Q CA 1.268 56.730 55.803 -0.568 0.000 0.855 751 Q CB -0.182 28.062 28.738 -0.823 0.000 0.911 751 Q HN 0.674 nan 8.270 nan 0.000 0.438 752 K N 0.453 120.714 120.400 -0.231 0.000 2.063 752 K HA -0.177 4.142 4.320 -0.002 0.000 0.208 752 K C 2.009 178.529 176.600 -0.133 0.000 1.048 752 K CA 1.240 57.447 56.287 -0.133 0.000 0.928 752 K CB -0.038 32.411 32.500 -0.085 0.000 0.713 752 K HN 0.306 nan 8.250 nan 0.000 0.442 753 Q N 0.361 120.064 119.800 -0.162 0.000 2.364 753 Q HA -0.086 4.252 4.340 -0.002 0.000 0.207 753 Q C 1.954 177.860 176.000 -0.158 0.000 0.970 753 Q CA 0.773 56.526 55.803 -0.084 0.000 0.888 753 Q CB 0.063 28.813 28.738 0.019 0.000 0.951 753 Q HN 0.139 nan 8.270 nan 0.000 0.469 754 V N 1.333 120.989 119.914 -0.429 0.000 2.548 754 V HA -0.223 3.896 4.120 -0.002 0.000 0.249 754 V C 1.715 177.770 176.094 -0.066 0.000 1.055 754 V CA 1.669 63.736 62.300 -0.389 0.000 1.065 754 V CB -0.410 31.113 31.823 -0.501 0.000 0.681 754 V HN 0.341 nan 8.190 nan 0.000 0.462 755 D N 0.384 120.731 120.400 -0.089 0.000 2.078 755 D HA -0.143 4.495 4.640 -0.002 0.000 0.193 755 D C 2.277 178.601 176.300 0.042 0.000 0.990 755 D CA 1.643 55.626 54.000 -0.027 0.000 0.827 755 D CB -0.206 40.575 40.800 -0.032 0.000 0.975 755 D HN 0.302 nan 8.370 nan 0.000 0.451 756 V N 1.692 121.633 119.914 0.044 0.000 2.222 756 V HA -0.279 3.840 4.120 -0.002 0.000 0.252 756 V C 2.600 178.781 176.094 0.145 0.000 1.060 756 V CA 1.774 64.122 62.300 0.080 0.000 1.027 756 V CB -0.629 31.242 31.823 0.081 0.000 0.644 756 V HN 0.139 nan 8.190 nan 0.000 0.448 757 L N -1.004 120.376 121.223 0.261 0.000 2.017 757 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 757 L C 2.256 179.366 176.870 0.399 0.000 1.073 757 L CA 2.131 57.209 54.840 0.397 0.000 0.745 757 L CB -1.079 41.379 42.059 0.665 0.000 0.894 757 L HN 0.437 nan 8.230 nan 0.000 0.432 758 Y N 1.083 121.449 120.300 0.110 0.000 2.069 758 Y HA -0.305 4.244 4.550 -0.002 0.000 0.278 758 Y C 2.697 178.478 175.900 -0.198 0.000 1.175 758 Y CA 2.123 59.997 58.100 -0.377 0.000 1.134 758 Y CB -0.420 37.630 38.460 -0.684 0.000 0.965 758 Y HN 0.224 nan 8.280 nan 0.000 0.498 759 R N -0.320 120.148 120.500 -0.053 0.000 2.244 759 R HA -0.194 4.144 4.340 -0.002 0.000 0.252 759 R C 0.605 176.841 176.300 -0.106 0.000 1.177 759 R CA 1.371 57.407 56.100 -0.106 0.000 1.004 759 R CB -0.567 29.720 30.300 -0.022 0.000 0.873 759 R HN 0.345 nan 8.270 nan 0.000 0.469 760 D N 0.852 121.232 120.400 -0.033 0.000 3.110 760 D HA -0.013 4.625 4.640 -0.002 0.000 0.254 760 D C 0.986 177.279 176.300 -0.011 0.000 1.283 760 D CA -0.135 53.866 54.000 0.001 0.000 0.944 760 D CB 0.426 41.270 40.800 0.072 0.000 1.066 760 D HN -0.050 nan 8.370 nan 0.000 0.496 761 Q N 0.588 120.298 119.800 -0.149 0.000 2.362 761 Q HA -0.262 4.077 4.340 -0.002 0.000 0.216 761 Q C 1.488 177.485 176.000 -0.005 0.000 1.002 761 Q CA 1.776 57.471 55.803 -0.180 0.000 0.937 761 Q CB 0.060 28.664 28.738 -0.223 0.000 0.937 761 Q HN 0.496 nan 8.270 nan 0.000 0.424 762 E N -1.748 118.462 120.200 0.018 0.000 2.075 762 E HA -0.026 4.322 4.350 -0.002 0.000 0.190 762 E C 1.742 178.384 176.600 0.070 0.000 0.969 762 E CA 0.772 57.196 56.400 0.039 0.000 0.815 762 E CB -0.170 29.540 29.700 0.016 0.000 0.776 762 E HN 0.393 nan 8.360 nan 0.000 0.457 763 A N 2.051 124.922 122.820 0.084 0.000 1.972 763 A HA -0.172 4.147 4.320 -0.002 0.000 0.219 763 A C 1.999 179.664 177.584 0.135 0.000 1.169 763 A CA 1.248 53.337 52.037 0.087 0.000 0.635 763 A CB -1.117 17.938 19.000 0.091 0.000 0.810 763 A HN 0.653 nan 8.150 nan 0.000 0.446 764 W N 0.990 122.295 121.300 0.009 0.000 2.418 764 W HA -0.123 4.536 4.660 -0.002 0.000 0.319 764 W C 1.702 178.228 176.519 0.012 0.000 1.183 764 W CA 2.118 59.492 57.345 0.050 0.000 1.327 764 W CB -1.017 28.520 29.460 0.129 0.000 1.163 764 W HN 0.332 nan 8.180 nan 0.000 0.479 765 T N 1.401 116.182 114.554 0.378 0.000 2.896 765 T HA -0.270 4.079 4.350 -0.002 0.000 0.270 765 T C 1.866 176.513 174.700 -0.089 0.000 1.104 765 T CA 1.920 64.113 62.100 0.155 0.000 1.115 765 T CB -0.377 68.560 68.868 0.114 0.000 0.843 765 T HN 0.234 nan 8.240 nan 0.000 0.523 766 R N 0.395 120.866 120.500 -0.049 0.000 2.075 766 R HA 0.113 4.452 4.340 -0.002 0.000 0.226 766 R C 2.592 178.805 176.300 -0.145 0.000 1.114 766 R CA 1.088 57.132 56.100 -0.094 0.000 0.972 766 R CB -0.298 29.974 30.300 -0.046 0.000 0.869 766 R HN 0.351 nan 8.270 nan 0.000 0.437 767 A N 0.967 123.679 122.820 -0.180 0.000 1.872 767 A HA -0.018 4.301 4.320 -0.002 0.000 0.214 767 A C 2.369 179.796 177.584 -0.261 0.000 1.187 767 A CA 1.430 53.318 52.037 -0.248 0.000 0.614 767 A CB -0.876 17.906 19.000 -0.364 0.000 0.826 767 A HN 0.497 nan 8.150 nan 0.000 0.442 768 A N 0.261 122.896 122.820 -0.308 0.000 1.873 768 A HA -0.198 4.120 4.320 -0.002 0.000 0.218 768 A C 2.099 179.636 177.584 -0.078 0.000 1.193 768 A CA 1.779 53.709 52.037 -0.178 0.000 0.629 768 A CB -0.822 18.151 19.000 -0.044 0.000 0.826 768 A HN 0.510 nan 8.150 nan 0.000 0.447 769 I N -0.442 119.961 120.570 -0.277 0.000 2.399 769 I HA -0.270 3.899 4.170 -0.002 0.000 0.254 769 I C 2.172 178.247 176.117 -0.070 0.000 1.146 769 I CA 1.112 62.246 61.300 -0.277 0.000 1.412 769 I CB -0.247 37.536 38.000 -0.363 0.000 1.076 769 I HN 0.330 nan 8.210 nan 0.000 0.432 770 L N -0.238 120.926 121.223 -0.098 0.000 2.270 770 L HA -0.072 4.267 4.340 -0.002 0.000 0.210 770 L C 2.018 178.860 176.870 -0.046 0.000 1.104 770 L CA 0.846 55.644 54.840 -0.069 0.000 0.804 770 L CB -0.559 41.445 42.059 -0.092 0.000 0.937 770 L HN 0.310 nan 8.230 nan 0.000 0.450 771 N N -0.642 118.020 118.700 -0.063 0.000 2.381 771 N HA -0.116 4.623 4.740 -0.002 0.000 0.182 771 N C 1.458 176.969 175.510 0.002 0.000 1.025 771 N CA 1.483 54.501 53.050 -0.053 0.000 0.888 771 N CB 0.150 38.580 38.487 -0.096 0.000 0.965 771 N HN 0.337 nan 8.380 nan 0.000 0.438 772 T N 0.822 115.399 114.554 0.038 0.000 2.814 772 T HA 0.062 4.411 4.350 -0.002 0.000 0.254 772 T C 2.203 176.934 174.700 0.052 0.000 1.037 772 T CA 0.833 62.970 62.100 0.063 0.000 1.143 772 T CB -0.266 68.678 68.868 0.127 0.000 0.866 772 T HN 0.213 nan 8.240 nan 0.000 0.431 773 A N 2.792 125.637 122.820 0.042 0.000 1.873 773 A HA -0.152 4.166 4.320 -0.002 0.000 0.218 773 A C 1.715 179.324 177.584 0.042 0.000 1.193 773 A CA 1.216 53.271 52.037 0.030 0.000 0.629 773 A CB -0.502 18.505 19.000 0.011 0.000 0.826 773 A HN 0.607 nan 8.150 nan 0.000 0.447 774 R N -1.748 118.777 120.500 0.043 0.000 4.017 774 R HA 0.499 4.838 4.340 -0.002 0.000 0.272 774 R C -0.699 175.675 176.300 0.124 0.000 1.516 774 R CA 0.083 56.220 56.100 0.061 0.000 1.519 774 R CB -0.450 29.872 30.300 0.036 0.000 1.422 774 R HN 0.247 nan 8.270 nan 0.000 0.719 775 C N -0.195 119.204 119.300 0.165 0.000 3.843 775 C HA 0.190 4.649 4.460 -0.002 0.000 0.305 775 C C 1.732 176.912 174.990 0.317 0.000 2.482 775 C CA -0.238 58.985 59.018 0.342 0.000 1.563 775 C CB 0.493 28.374 27.740 0.236 0.000 3.238 775 C HN 0.884 nan 8.230 nan 0.000 0.423 776 G N 1.413 110.312 108.800 0.164 0.000 2.776 776 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.209 776 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.209 776 G C 1.258 176.205 174.900 0.078 0.000 1.145 776 G CA 1.167 46.347 45.100 0.135 0.000 0.791 776 G HN 0.639 nan 8.290 nan 0.000 0.530 777 M N -2.086 117.502 119.600 -0.020 0.000 2.561 777 M HA 0.463 4.942 4.480 -0.002 0.000 0.238 777 M C 0.538 176.634 176.300 -0.340 0.000 1.131 777 M CA 0.590 55.764 55.300 -0.209 0.000 1.046 777 M CB -0.272 32.120 32.600 -0.346 0.000 1.532 777 M HN -0.022 nan 8.290 nan 0.000 0.497 778 F N 0.288 120.269 119.950 0.052 0.000 2.668 778 F HA 0.417 4.942 4.527 -0.003 0.000 0.297 778 F C 0.848 176.696 175.800 0.081 0.000 1.124 778 F CA -0.702 57.333 58.000 0.057 0.000 1.353 778 F CB -0.023 38.996 39.000 0.032 0.000 0.992 778 F HN 0.155 nan 8.300 nan 0.000 0.524 779 S N 0.291 116.103 115.700 0.187 0.000 2.465 779 S HA 0.106 4.574 4.470 -0.002 0.000 0.279 779 S C 1.471 176.183 174.600 0.187 0.000 1.201 779 S CA -0.149 58.156 58.200 0.176 0.000 1.053 779 S CB 0.667 63.948 63.200 0.134 0.000 0.953 779 S HN 0.400 nan 8.310 nan 0.000 0.488 780 S N 3.806 119.649 115.700 0.238 0.000 2.441 780 S HA -0.173 4.295 4.470 -0.002 0.000 0.242 780 S C 1.149 175.905 174.600 0.260 0.000 1.018 780 S CA 1.351 59.767 58.200 0.361 0.000 0.988 780 S CB -0.476 62.972 63.200 0.413 0.000 0.778 780 S HN 0.798 nan 8.310 nan 0.000 0.498 781 D N 1.808 122.305 120.400 0.162 0.000 2.092 781 D HA -0.111 4.527 4.640 -0.002 0.000 0.193 781 D C 2.156 178.502 176.300 0.077 0.000 0.994 781 D CA 1.072 55.131 54.000 0.099 0.000 0.828 781 D CB -0.390 40.452 40.800 0.069 0.000 0.963 781 D HN 0.299 nan 8.370 nan 0.000 0.450 782 R N 0.992 121.535 120.500 0.072 0.000 2.120 782 R HA -0.062 4.276 4.340 -0.002 0.000 0.234 782 R C 2.086 178.405 176.300 0.032 0.000 1.123 782 R CA 0.811 56.931 56.100 0.033 0.000 0.975 782 R CB -0.488 29.815 30.300 0.005 0.000 0.866 782 R HN 0.015 nan 8.270 nan 0.000 0.446 783 S N 0.851 116.609 115.700 0.098 0.000 2.351 783 S HA -0.093 4.375 4.470 -0.002 0.000 0.220 783 S C 2.018 176.631 174.600 0.021 0.000 1.035 783 S CA 1.221 59.489 58.200 0.112 0.000 1.031 783 S CB -0.145 63.286 63.200 0.384 0.000 0.928 783 S HN 0.211 nan 8.310 nan 0.000 0.433 784 I N 1.673 122.226 120.570 -0.029 0.000 2.087 784 I HA -0.226 3.943 4.170 -0.002 0.000 0.240 784 I C 2.454 178.623 176.117 0.086 0.000 1.054 784 I CA 1.676 62.989 61.300 0.021 0.000 1.311 784 I CB -1.372 36.652 38.000 0.040 0.000 1.024 784 I HN 0.311 nan 8.210 nan 0.000 0.402 785 R N 0.434 120.962 120.500 0.047 0.000 2.117 785 R HA -0.223 4.115 4.340 -0.002 0.000 0.243 785 R C 1.891 178.177 176.300 -0.023 0.000 1.143 785 R CA 1.866 57.983 56.100 0.029 0.000 0.968 785 R CB -0.362 29.945 30.300 0.012 0.000 0.863 785 R HN 0.432 nan 8.270 nan 0.000 0.444 786 D N -0.490 119.863 120.400 -0.080 0.000 2.104 786 D HA -0.172 4.466 4.640 -0.002 0.000 0.194 786 D C 1.642 177.759 176.300 -0.306 0.000 0.994 786 D CA 1.354 55.241 54.000 -0.189 0.000 0.830 786 D CB -0.308 40.347 40.800 -0.242 0.000 0.959 786 D HN 0.255 nan 8.370 nan 0.000 0.452 787 Y N 1.024 121.066 120.300 -0.430 0.000 2.145 787 Y HA -0.155 4.394 4.550 -0.002 0.000 0.286 787 Y C 2.616 178.223 175.900 -0.488 0.000 1.145 787 Y CA 1.175 58.808 58.100 -0.778 0.000 1.148 787 Y CB -0.334 37.054 38.460 -1.786 0.000 0.981 787 Y HN 0.000 nan 8.280 nan 0.000 0.507 788 Q N -0.568 119.250 119.800 0.031 0.000 2.077 788 Q HA -0.243 4.095 4.340 -0.002 0.000 0.206 788 Q C 2.344 178.374 176.000 0.051 0.000 0.989 788 Q CA 1.763 57.682 55.803 0.192 0.000 0.853 788 Q CB -0.355 28.495 28.738 0.188 0.000 0.907 788 Q HN 0.522 nan 8.270 nan 0.000 0.418 789 A N -0.480 122.320 122.820 -0.033 0.000 2.169 789 A HA 0.002 4.320 4.320 -0.002 0.000 0.212 789 A C 1.734 179.249 177.584 -0.116 0.000 1.153 789 A CA 0.639 52.641 52.037 -0.058 0.000 0.756 789 A CB 0.111 19.077 19.000 -0.058 0.000 0.813 789 A HN 0.094 nan 8.150 nan 0.000 0.471 790 R N -1.261 119.111 120.500 -0.214 0.000 2.167 790 R HA 0.440 4.778 4.340 -0.002 0.000 0.195 790 R C 1.476 177.566 176.300 -0.351 0.000 1.027 790 R CA 0.922 56.798 56.100 -0.372 0.000 1.114 790 R CB 0.064 30.007 30.300 -0.595 0.000 1.075 790 R HN 0.496 nan 8.270 nan 0.000 0.538 791 I N -2.255 118.168 120.570 -0.246 0.000 3.632 791 I HA 0.008 4.177 4.170 -0.002 0.000 0.246 791 I C 1.248 177.523 176.117 0.264 0.000 1.125 791 I CA -0.127 61.191 61.300 0.029 0.000 1.519 791 I CB -0.309 37.621 38.000 -0.116 0.000 1.555 791 I HN 0.086 nan 8.210 nan 0.000 0.452 792 W N 2.148 123.559 121.300 0.185 0.000 2.321 792 W HA -0.145 4.514 4.660 -0.001 0.000 0.306 792 W C 1.184 177.738 176.519 0.057 0.000 1.217 792 W CA 0.881 58.308 57.345 0.137 0.000 1.257 792 W CB -0.702 28.813 29.460 0.091 0.000 1.145 792 W HN 0.273 nan 8.180 nan 0.000 0.509 793 Q N -1.174 118.770 119.800 0.241 0.000 2.318 793 Q HA 0.493 4.832 4.340 -0.002 0.000 0.371 793 Q C -0.029 175.995 176.000 0.040 0.000 0.896 793 Q CA -0.073 55.796 55.803 0.110 0.000 1.134 793 Q CB 0.490 29.286 28.738 0.096 0.000 1.329 793 Q HN -0.029 nan 8.270 nan 0.000 0.413 794 A N 0.087 122.919 122.820 0.020 0.000 2.284 794 A HA 0.824 5.143 4.320 -0.002 0.000 0.317 794 A C 0.064 177.609 177.584 -0.064 0.000 1.120 794 A CA -0.330 51.696 52.037 -0.018 0.000 0.900 794 A CB 0.549 19.545 19.000 -0.007 0.000 1.319 794 A HN 0.294 nan 8.150 nan 0.000 0.494 795 K N 0.554 120.919 120.400 -0.058 0.000 2.237 795 K HA 0.571 4.890 4.320 -0.002 0.000 0.270 795 K C 0.088 176.611 176.600 -0.129 0.000 1.015 795 K CA -0.234 56.006 56.287 -0.079 0.000 0.949 795 K CB 0.186 32.660 32.500 -0.044 0.000 0.976 795 K HN 0.719 nan 8.250 nan 0.000 0.472 796 R N 0.000 120.403 120.500 -0.162 0.000 2.786 796 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 796 R CA 0.000 55.965 56.100 -0.226 0.000 0.921 796 R CB 0.000 30.118 30.300 -0.303 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535