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 1ahp_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GAGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGAVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN HTAGKKLRLM QQYFQCACSV ADILRRHHLA GRELHELADY 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 DQLINLVKLA DDAKFRDLYR DATA SEQUENCE VIKQANKVRL AEFVKVRTGI DINPQAIFDI QIKRLHEYKR QHLNLLRILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV KQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAAR 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 0.000 174.584 174.600 -0.026 0.000 1.055 1 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.043 0.000 0.593 2 Q N 0.136 119.943 119.800 0.012 0.000 7.941 2 Q HA 0.016 4.360 4.340 0.006 0.000 0.369 2 Q C -2.807 173.244 176.000 0.085 0.000 0.943 2 Q CA 0.323 56.136 55.803 0.017 0.000 0.541 2 Q CB -1.010 27.715 28.738 -0.021 0.000 0.167 2 Q HN 0.549 nan 8.270 nan 0.000 0.898 3 P HA 0.459 nan 4.420 nan 0.000 0.282 3 P C -0.492 177.065 177.300 0.428 0.000 1.249 3 P CA -0.122 63.153 63.100 0.291 0.000 0.806 3 P CB 1.150 32.989 31.700 0.231 0.000 0.984 4 I N 3.025 123.839 120.570 0.407 0.000 2.465 4 I HA 0.301 4.474 4.170 0.006 0.000 0.291 4 I C -0.294 175.769 176.117 -0.089 0.000 1.014 4 I CA -0.939 60.484 61.300 0.205 0.000 1.093 4 I CB 1.437 39.475 38.000 0.063 0.000 1.267 4 I HN 0.332 nan 8.210 nan 0.000 0.431 5 F N 7.176 126.765 119.950 -0.602 0.000 2.410 5 F HA 0.394 4.925 4.527 0.006 0.000 0.349 5 F C 0.102 175.576 175.800 -0.543 0.000 1.117 5 F CA -0.211 57.079 58.000 -1.184 0.000 1.104 5 F CB 0.620 38.633 39.000 -1.645 0.000 1.122 5 F HN 0.481 nan 8.300 nan 0.000 0.483 6 N N 5.358 123.328 118.700 -1.216 0.000 2.540 6 N HA 0.065 4.809 4.740 0.006 0.000 0.275 6 N C 0.254 175.217 175.510 -0.912 0.000 1.053 6 N CA -0.237 52.345 53.050 -0.781 0.000 0.876 6 N CB 1.143 39.389 38.487 -0.402 0.000 1.284 6 N HN 0.902 nan 8.380 nan 0.000 0.518 7 D N 3.394 123.350 120.400 -0.740 0.000 2.170 7 D HA -0.282 4.362 4.640 0.006 0.000 0.193 7 D C 1.803 178.053 176.300 -0.083 0.000 1.004 7 D CA 1.891 55.720 54.000 -0.285 0.000 0.860 7 D CB 0.375 41.181 40.800 0.010 0.000 0.931 7 D HN 0.651 nan 8.370 nan 0.000 0.448 8 K N 0.150 120.474 120.400 -0.126 0.000 1.991 8 K HA -0.270 4.054 4.320 0.006 0.000 0.212 8 K C 2.310 178.855 176.600 -0.091 0.000 1.049 8 K CA 1.702 57.944 56.287 -0.075 0.000 0.932 8 K CB -0.357 32.093 32.500 -0.083 0.000 0.717 8 K HN 0.214 nan 8.250 nan 0.000 0.441 9 Q N -0.527 119.182 119.800 -0.152 0.000 2.197 9 Q HA -0.223 4.121 4.340 0.006 0.000 0.207 9 Q C 1.950 177.888 176.000 -0.104 0.000 0.984 9 Q CA 1.749 57.468 55.803 -0.140 0.000 0.869 9 Q CB -0.180 28.453 28.738 -0.174 0.000 0.906 9 Q HN 0.485 nan 8.270 nan 0.000 0.426 10 F N 1.031 120.815 119.950 -0.277 0.000 2.163 10 F HA -0.136 4.395 4.527 0.006 0.000 0.297 10 F C 2.243 178.022 175.800 -0.035 0.000 1.094 10 F CA 1.220 59.127 58.000 -0.155 0.000 1.290 10 F CB -0.115 38.785 39.000 -0.167 0.000 1.017 10 F HN 0.060 nan 8.300 nan 0.000 0.483 11 Q N 0.786 120.554 119.800 -0.052 0.000 2.050 11 Q HA -0.210 4.134 4.340 0.006 0.000 0.202 11 Q C 2.101 178.012 176.000 -0.149 0.000 0.980 11 Q CA 2.095 57.870 55.803 -0.047 0.000 0.840 11 Q CB -0.589 28.210 28.738 0.101 0.000 0.898 11 Q HN 0.609 nan 8.270 nan 0.000 0.424 12 E N 0.936 121.050 120.200 -0.143 0.000 2.031 12 E HA -0.158 4.196 4.350 0.006 0.000 0.193 12 E C 2.057 178.500 176.600 -0.262 0.000 0.994 12 E CA 1.006 57.299 56.400 -0.178 0.000 0.800 12 E CB -0.225 29.390 29.700 -0.142 0.000 0.752 12 E HN 0.333 nan 8.360 nan 0.000 0.447 13 A N 1.549 124.216 122.820 -0.256 0.000 1.892 13 A HA -0.232 4.092 4.320 0.006 0.000 0.218 13 A C 2.230 179.574 177.584 -0.400 0.000 1.188 13 A CA 1.522 53.391 52.037 -0.282 0.000 0.631 13 A CB -0.764 18.116 19.000 -0.199 0.000 0.822 13 A HN 0.228 nan 8.150 nan 0.000 0.447 14 L N 0.856 121.767 121.223 -0.521 0.000 2.012 14 L HA -0.170 4.174 4.340 0.006 0.000 0.210 14 L C 2.845 179.418 176.870 -0.494 0.000 1.073 14 L CA 2.922 57.439 54.840 -0.538 0.000 0.748 14 L CB -0.731 40.922 42.059 -0.676 0.000 0.891 14 L HN 0.560 nan 8.230 nan 0.000 0.431 15 S N -1.206 114.197 115.700 -0.496 0.000 2.402 15 S HA -0.244 4.230 4.470 0.006 0.000 0.229 15 S C 2.208 176.114 174.600 -1.155 0.000 1.021 15 S CA 0.978 58.585 58.200 -0.988 0.000 0.974 15 S CB -0.673 62.173 63.200 -0.591 0.000 0.800 15 S HN 0.493 nan 8.310 nan 0.000 0.484 16 R N 0.801 120.885 120.500 -0.693 0.000 2.127 16 R HA -0.091 4.253 4.340 0.006 0.000 0.238 16 R C 2.418 178.345 176.300 -0.621 0.000 1.134 16 R CA 1.631 57.390 56.100 -0.568 0.000 0.975 16 R CB -0.136 29.931 30.300 -0.387 0.000 0.865 16 R HN 0.461 nan 8.270 nan 0.000 0.447 17 Q N -0.227 119.158 119.800 -0.692 0.000 1.994 17 Q HA -0.170 4.174 4.340 0.006 0.000 0.198 17 Q C 1.988 177.313 176.000 -1.124 0.000 0.976 17 Q CA 1.684 56.990 55.803 -0.829 0.000 0.828 17 Q CB -0.806 27.499 28.738 -0.721 0.000 0.894 17 Q HN 0.631 nan 8.270 nan 0.000 0.432 18 W N 1.096 121.888 121.300 -0.847 0.000 2.468 18 W HA -0.054 4.610 4.660 0.007 0.000 0.262 18 W C 1.023 177.320 176.519 -0.370 0.000 1.241 18 W CA 0.528 57.487 57.345 -0.643 0.000 1.232 18 W CB -0.453 28.747 29.460 -0.434 0.000 1.124 18 W HN 0.241 nan 8.180 nan 0.000 0.597 19 Q N 0.694 120.104 119.800 -0.650 0.000 2.269 19 Q HA -0.052 4.292 4.340 0.006 0.000 0.201 19 Q C 2.431 178.282 176.000 -0.248 0.000 0.946 19 Q CA 0.862 56.396 55.803 -0.449 0.000 0.877 19 Q CB -0.122 28.209 28.738 -0.678 0.000 0.963 19 Q HN 0.267 nan 8.270 nan 0.000 0.472 20 R N -0.520 119.788 120.500 -0.321 0.000 2.119 20 R HA -0.085 4.259 4.340 0.006 0.000 0.222 20 R C 1.243 177.563 176.300 0.033 0.000 1.088 20 R CA 0.835 56.836 56.100 -0.165 0.000 0.984 20 R CB 0.252 30.429 30.300 -0.204 0.000 0.884 20 R HN 0.238 nan 8.270 nan 0.000 0.447 21 Y N -0.498 119.766 120.300 -0.061 0.000 2.516 21 Y HA 0.220 4.775 4.550 0.007 0.000 0.291 21 Y C 1.429 177.328 175.900 -0.001 0.000 1.131 21 Y CA 0.574 58.655 58.100 -0.031 0.000 1.281 21 Y CB -0.285 38.161 38.460 -0.023 0.000 1.013 21 Y HN 0.283 nan 8.280 nan 0.000 0.554 22 G N 0.535 109.427 108.800 0.152 0.000 2.303 22 G HA2 -0.213 3.751 3.960 0.006 0.000 0.260 22 G HA3 -0.213 3.751 3.960 0.006 0.000 0.260 22 G C -0.325 174.661 174.900 0.144 0.000 1.106 22 G CA 0.106 45.275 45.100 0.115 0.000 0.900 22 G HN 0.249 nan 8.290 nan 0.000 0.495 23 L N -1.649 119.718 121.223 0.241 0.000 2.299 23 L HA 0.548 4.892 4.340 0.006 0.000 0.268 23 L C 1.198 178.198 176.870 0.217 0.000 1.012 23 L CA -1.131 53.803 54.840 0.157 0.000 0.816 23 L CB 1.202 43.292 42.059 0.051 0.000 1.355 23 L HN 0.115 nan 8.230 nan 0.000 0.457 24 N N -0.890 117.791 118.700 -0.031 0.000 2.205 24 N HA 0.082 4.826 4.740 0.006 0.000 0.201 24 N C -0.789 174.434 175.510 -0.478 0.000 1.128 24 N CA -0.088 52.942 53.050 -0.032 0.000 0.867 24 N CB 0.641 39.114 38.487 -0.022 0.000 0.996 24 N HN 0.598 nan 8.380 nan 0.000 0.503 25 S N -1.942 113.074 115.700 -1.139 0.000 2.597 25 S HA 0.545 5.019 4.470 0.006 0.000 0.274 25 S C 0.313 173.916 174.600 -1.661 0.000 1.132 25 S CA -0.616 56.666 58.200 -1.530 0.000 0.835 25 S CB 0.889 63.740 63.200 -0.582 0.000 1.092 25 S HN -0.041 nan 8.310 nan 0.000 0.457 26 A N 1.409 123.294 122.820 -1.557 0.000 1.930 26 A HA 0.365 4.689 4.320 0.006 0.000 0.217 26 A C 2.289 179.565 177.584 -0.514 0.000 1.175 26 A CA 1.824 53.181 52.037 -1.134 0.000 0.627 26 A CB -1.508 17.061 19.000 -0.718 0.000 0.815 26 A HN 1.862 nan 8.150 nan 0.000 0.443 27 A N -0.186 122.553 122.820 -0.135 0.000 2.139 27 A HA -0.199 4.125 4.320 0.006 0.000 0.221 27 A C 1.808 179.420 177.584 0.046 0.000 1.159 27 A CA 1.701 53.815 52.037 0.129 0.000 0.662 27 A CB -0.475 18.573 19.000 0.080 0.000 0.796 27 A HN 0.691 nan 8.150 nan 0.000 0.463 28 E N -0.659 119.454 120.200 -0.145 0.000 2.158 28 E HA 0.024 4.378 4.350 0.006 0.000 0.191 28 E C 0.379 176.948 176.600 -0.053 0.000 0.982 28 E CA -0.098 56.244 56.400 -0.096 0.000 0.823 28 E CB -0.159 29.448 29.700 -0.154 0.000 0.766 28 E HN 0.660 nan 8.360 nan 0.000 0.468 29 M N 1.890 121.389 119.600 -0.169 0.000 2.234 29 M HA -0.043 4.441 4.480 0.006 0.000 0.326 29 M C 0.671 177.029 176.300 0.096 0.000 1.077 29 M CA 0.462 55.661 55.300 -0.167 0.000 1.052 29 M CB 0.045 32.262 32.600 -0.638 0.000 1.607 29 M HN 0.031 nan 8.290 nan 0.000 0.445 30 T N -0.142 114.469 114.554 0.096 0.000 2.874 30 T HA 0.269 4.622 4.350 0.006 0.000 0.281 30 T C -2.083 172.789 174.700 0.287 0.000 0.994 30 T CA -1.756 60.445 62.100 0.168 0.000 1.015 30 T CB 0.790 69.712 68.868 0.089 0.000 1.028 30 T HN 0.370 nan 8.240 nan 0.000 0.523 31 P HA -0.181 nan 4.420 nan 0.000 0.217 31 P C 1.694 179.203 177.300 0.347 0.000 1.162 31 P CA 1.304 64.585 63.100 0.302 0.000 0.901 31 P CB 0.035 31.849 31.700 0.191 0.000 0.793 32 R N -0.261 120.397 120.500 0.264 0.000 2.092 32 R HA -0.146 4.198 4.340 0.006 0.000 0.231 32 R C 2.289 178.746 176.300 0.261 0.000 1.119 32 R CA 1.457 57.744 56.100 0.312 0.000 0.970 32 R CB -0.465 29.958 30.300 0.205 0.000 0.864 32 R HN 0.234 nan 8.270 nan 0.000 0.440 33 Q N -0.934 118.943 119.800 0.129 0.000 2.124 33 Q HA -0.210 4.134 4.340 0.006 0.000 0.202 33 Q C 1.725 177.793 176.000 0.114 0.000 0.977 33 Q CA 1.778 57.590 55.803 0.015 0.000 0.850 33 Q CB -0.165 28.536 28.738 -0.061 0.000 0.901 33 Q HN 0.468 nan 8.270 nan 0.000 0.429 34 W N -0.219 121.165 121.300 0.140 0.000 2.354 34 W HA -0.229 4.434 4.660 0.005 0.000 0.315 34 W C 2.076 178.659 176.519 0.107 0.000 1.206 34 W CA 0.848 58.261 57.345 0.113 0.000 1.290 34 W CB -0.489 29.035 29.460 0.108 0.000 1.152 34 W HN 0.321 nan 8.180 nan 0.000 0.489 35 W N 0.491 121.984 121.300 0.321 0.000 2.342 35 W HA -0.199 4.464 4.660 0.007 0.000 0.297 35 W C 1.902 178.511 176.519 0.149 0.000 1.213 35 W CA 1.859 59.336 57.345 0.221 0.000 1.251 35 W CB -0.748 28.823 29.460 0.184 0.000 1.136 35 W HN -0.179 nan 8.180 nan 0.000 0.526 36 L N 0.287 121.314 121.223 -0.327 0.000 2.027 36 L HA -0.158 4.186 4.340 0.006 0.000 0.206 36 L C 2.776 179.454 176.870 -0.319 0.000 1.074 36 L CA 1.477 56.014 54.840 -0.505 0.000 0.745 36 L CB -1.404 40.550 42.059 -0.174 0.000 0.898 36 L HN 0.066 nan 8.230 nan 0.000 0.433 37 A N -0.313 122.455 122.820 -0.085 0.000 1.883 37 A HA -0.177 4.147 4.320 0.006 0.000 0.217 37 A C 2.301 179.756 177.584 -0.214 0.000 1.186 37 A CA 2.013 53.945 52.037 -0.175 0.000 0.624 37 A CB -0.892 17.979 19.000 -0.215 0.000 0.822 37 A HN 0.212 nan 8.150 nan 0.000 0.444 38 V N -0.076 119.773 119.914 -0.108 0.000 2.261 38 V HA -0.230 3.894 4.120 0.006 0.000 0.246 38 V C 2.817 178.844 176.094 -0.111 0.000 1.047 38 V CA 2.374 64.686 62.300 0.021 0.000 1.015 38 V CB -0.968 30.974 31.823 0.199 0.000 0.642 38 V HN 0.578 nan 8.190 nan 0.000 0.446 39 S N -0.628 114.849 115.700 -0.372 0.000 2.359 39 S HA -0.225 4.248 4.470 0.006 0.000 0.224 39 S C 2.034 176.114 174.600 -0.867 0.000 1.035 39 S CA 1.439 59.273 58.200 -0.611 0.000 1.018 39 S CB -0.363 62.296 63.200 -0.901 0.000 0.876 39 S HN 0.541 nan 8.310 nan 0.000 0.448 40 E N 1.267 121.069 120.200 -0.662 0.000 2.110 40 E HA -0.032 4.322 4.350 0.006 0.000 0.193 40 E C 2.283 178.653 176.600 -0.383 0.000 0.988 40 E CA 1.024 57.104 56.400 -0.534 0.000 0.804 40 E CB -0.411 29.075 29.700 -0.356 0.000 0.745 40 E HN 0.445 nan 8.360 nan 0.000 0.458 41 A N 0.890 123.535 122.820 -0.291 0.000 1.877 41 A HA -0.144 4.180 4.320 0.006 0.000 0.216 41 A C 2.417 179.988 177.584 -0.021 0.000 1.186 41 A CA 1.166 53.099 52.037 -0.174 0.000 0.620 41 A CB -0.734 18.146 19.000 -0.200 0.000 0.822 41 A HN 0.227 nan 8.150 nan 0.000 0.443 42 L N -0.754 120.488 121.223 0.031 0.000 2.046 42 L HA -0.186 4.158 4.340 0.006 0.000 0.208 42 L C 3.099 180.004 176.870 0.058 0.000 1.077 42 L CA 1.055 56.034 54.840 0.231 0.000 0.747 42 L CB -0.567 41.687 42.059 0.325 0.000 0.896 42 L HN 0.435 nan 8.230 nan 0.000 0.432 43 A N -0.363 122.177 122.820 -0.465 0.000 1.940 43 A HA -0.272 4.052 4.320 0.006 0.000 0.219 43 A C 2.255 179.798 177.584 -0.068 0.000 1.176 43 A CA 1.992 53.786 52.037 -0.404 0.000 0.631 43 A CB -0.480 18.042 19.000 -0.796 0.000 0.814 43 A HN 0.494 nan 8.150 nan 0.000 0.446 44 E N -0.639 119.505 120.200 -0.093 0.000 2.028 44 E HA -0.163 4.191 4.350 0.006 0.000 0.191 44 E C 2.097 178.731 176.600 0.056 0.000 0.988 44 E CA 1.310 57.688 56.400 -0.037 0.000 0.799 44 E CB -0.198 29.448 29.700 -0.090 0.000 0.755 44 E HN 0.662 nan 8.360 nan 0.000 0.447 45 M N 0.312 119.994 119.600 0.137 0.000 2.108 45 M HA -0.183 4.301 4.480 0.006 0.000 0.261 45 M C 2.432 178.919 176.300 0.313 0.000 1.066 45 M CA 0.976 56.419 55.300 0.238 0.000 1.107 45 M CB -0.317 32.516 32.600 0.387 0.000 1.356 45 M HN 0.219 nan 8.290 nan 0.000 0.406 46 L N 0.774 122.191 121.223 0.324 0.000 2.079 46 L HA -0.175 4.169 4.340 0.006 0.000 0.210 46 L C 2.247 179.209 176.870 0.153 0.000 1.081 46 L CA 1.931 56.908 54.840 0.228 0.000 0.752 46 L CB -0.539 41.639 42.059 0.199 0.000 0.896 46 L HN 0.172 nan 8.230 nan 0.000 0.433 47 R N -0.687 119.887 120.500 0.122 0.000 2.280 47 R HA 0.082 4.426 4.340 0.006 0.000 0.207 47 R C 1.887 178.226 176.300 0.065 0.000 1.043 47 R CA 0.719 56.866 56.100 0.078 0.000 1.006 47 R CB -0.358 29.972 30.300 0.049 0.000 0.885 47 R HN 0.479 nan 8.270 nan 0.000 0.467 48 A N 0.446 123.315 122.820 0.082 0.000 2.195 48 A HA 0.054 4.378 4.320 0.006 0.000 0.210 48 A C 0.502 178.138 177.584 0.086 0.000 1.165 48 A CA 0.051 52.126 52.037 0.063 0.000 0.806 48 A CB 0.280 19.309 19.000 0.049 0.000 0.847 48 A HN 0.051 nan 8.150 nan 0.000 0.482 49 Q N 0.634 120.508 119.800 0.123 0.000 2.368 49 Q HA 0.359 4.703 4.340 0.006 0.000 0.237 49 Q C -2.404 173.670 176.000 0.124 0.000 0.987 49 Q CA -1.668 54.216 55.803 0.135 0.000 0.896 49 Q CB -0.245 28.597 28.738 0.173 0.000 1.241 49 Q HN 0.196 nan 8.270 nan 0.000 0.485 50 P HA 0.104 nan 4.420 nan 0.000 0.274 50 P C -0.645 176.797 177.300 0.236 0.000 1.246 50 P CA -0.473 62.752 63.100 0.209 0.000 0.795 50 P CB 0.247 32.055 31.700 0.180 0.000 1.006 51 F N -0.401 119.550 119.950 0.001 0.000 2.456 51 F HA 0.566 5.097 4.527 0.006 0.000 0.358 51 F C -0.081 175.716 175.800 -0.006 0.000 1.095 51 F CA -2.336 55.661 58.000 -0.005 0.000 1.216 51 F CB -0.546 38.448 39.000 -0.010 0.000 1.125 51 F HN 0.245 nan 8.300 nan 0.000 0.549 52 A N 4.610 127.340 122.820 -0.149 0.000 2.366 52 A HA 0.430 4.754 4.320 0.006 0.000 0.322 52 A C 0.086 177.540 177.584 -0.216 0.000 1.397 52 A CA -0.942 50.948 52.037 -0.245 0.000 0.984 52 A CB -0.273 18.654 19.000 -0.122 0.000 1.149 52 A HN 0.799 nan 8.150 nan 0.000 0.540 53 K N 3.910 124.083 120.400 -0.378 0.000 2.472 53 K HA 0.271 4.595 4.320 0.006 0.000 0.280 53 K C -2.323 174.237 176.600 -0.066 0.000 1.028 53 K CA -0.727 55.469 56.287 -0.152 0.000 1.045 53 K CB -0.025 32.374 32.500 -0.170 0.000 0.902 53 K HN 0.420 nan 8.250 nan 0.000 0.478 54 P HA -0.014 nan 4.420 nan 0.000 0.280 54 P C -0.872 176.431 177.300 0.006 0.000 1.278 54 P CA -0.628 62.475 63.100 0.005 0.000 0.787 54 P CB 0.370 32.090 31.700 0.033 0.000 1.163 55 V N 0.474 120.395 119.914 0.012 0.000 2.450 55 V HA 0.221 4.345 4.120 0.006 0.000 0.281 55 V C 0.870 176.982 176.094 0.030 0.000 1.019 55 V CA -0.072 62.237 62.300 0.016 0.000 1.062 55 V CB -0.534 31.301 31.823 0.020 0.000 0.979 55 V HN 0.649 nan 8.190 nan 0.000 0.477 56 A N 4.958 127.794 122.820 0.028 0.000 2.310 56 A HA 0.449 4.773 4.320 0.006 0.000 0.260 56 A C 1.273 178.881 177.584 0.041 0.000 1.112 56 A CA 0.333 52.394 52.037 0.040 0.000 0.804 56 A CB -0.094 18.927 19.000 0.034 0.000 1.081 56 A HN 1.047 nan 8.150 nan 0.000 0.499 57 N N -1.953 116.776 118.700 0.049 0.000 2.319 57 N HA -0.185 4.559 4.740 0.006 0.000 0.215 57 N C 0.142 175.676 175.510 0.040 0.000 1.091 57 N CA 2.140 55.214 53.050 0.040 0.000 2.762 57 N CB -1.562 36.941 38.487 0.026 0.000 0.823 57 N HN 0.852 nan 8.380 nan 0.000 0.453 58 Q N 1.935 121.763 119.800 0.047 0.000 2.395 58 Q HA 0.178 4.521 4.340 0.006 0.000 0.271 58 Q C 0.726 176.767 176.000 0.068 0.000 1.026 58 Q CA 0.107 55.943 55.803 0.054 0.000 0.900 58 Q CB 0.569 29.341 28.738 0.057 0.000 1.266 58 Q HN 0.450 nan 8.270 nan 0.000 0.430 59 R N 0.833 121.370 120.500 0.062 0.000 2.528 59 R HA 0.263 4.607 4.340 0.006 0.000 0.271 59 R C -0.152 176.204 176.300 0.094 0.000 1.056 59 R CA -0.766 55.386 56.100 0.086 0.000 1.117 59 R CB 0.711 31.035 30.300 0.039 0.000 1.085 59 R HN 0.606 nan 8.270 nan 0.000 0.530 60 H N 1.730 120.819 119.070 0.033 0.000 2.848 60 H HA 0.111 4.670 4.556 0.006 0.000 0.317 60 H C -0.843 174.437 175.328 -0.080 0.000 1.046 60 H CA -0.129 55.913 56.048 -0.010 0.000 1.470 60 H CB 0.921 30.707 29.762 0.040 0.000 1.483 60 H HN 0.283 nan 8.280 nan 0.000 0.548 61 V N 6.731 126.281 119.914 -0.606 0.000 2.383 61 V HA 0.056 4.180 4.120 0.006 0.000 0.275 61 V C 0.112 175.893 176.094 -0.523 0.000 1.036 61 V CA -0.774 61.140 62.300 -0.644 0.000 0.889 61 V CB 1.099 32.315 31.823 -1.012 0.000 0.985 61 V HN 0.753 nan 8.190 nan 0.000 0.459 62 N N 4.215 122.797 118.700 -0.196 0.000 2.546 62 N HA 0.204 4.948 4.740 0.006 0.000 0.238 62 N C -0.981 174.649 175.510 0.200 0.000 0.984 62 N CA -0.365 52.747 53.050 0.103 0.000 0.935 62 N CB 1.256 39.857 38.487 0.190 0.000 1.122 62 N HN 0.682 nan 8.380 nan 0.000 0.510 63 Y N 2.909 123.280 120.300 0.119 0.000 2.600 63 Y HA 0.325 4.879 4.550 0.006 0.000 0.351 63 Y C 0.120 176.256 175.900 0.393 0.000 1.042 63 Y CA -0.452 57.771 58.100 0.205 0.000 1.333 63 Y CB 0.098 38.665 38.460 0.179 0.000 1.172 63 Y HN 0.380 nan 8.280 nan 0.000 0.517 64 I N 4.632 125.299 120.570 0.162 0.000 2.342 64 I HA 0.279 4.453 4.170 0.006 0.000 0.291 64 I C 0.167 176.336 176.117 0.088 0.000 1.010 64 I CA -0.104 61.345 61.300 0.248 0.000 1.308 64 I CB 0.972 39.080 38.000 0.181 0.000 1.400 64 I HN 0.469 nan 8.210 nan 0.000 0.488 65 S N 5.700 121.559 115.700 0.265 0.000 2.579 65 S HA 0.470 4.944 4.470 0.006 0.000 0.272 65 S C 0.074 174.814 174.600 0.233 0.000 1.141 65 S CA -0.738 57.509 58.200 0.078 0.000 0.843 65 S CB 1.939 64.932 63.200 -0.345 0.000 1.122 65 S HN 0.693 nan 8.310 nan 0.000 0.468 66 M N 1.679 121.383 119.600 0.173 0.000 2.428 66 M HA 0.241 4.725 4.480 0.006 0.000 0.239 66 M C -0.517 175.867 176.300 0.139 0.000 1.121 66 M CA 0.427 55.828 55.300 0.168 0.000 1.019 66 M CB -0.165 32.458 32.600 0.039 0.000 1.485 66 M HN 0.756 nan 8.290 nan 0.000 0.484 67 E N -0.880 119.359 120.200 0.065 0.000 2.347 67 E HA 0.272 4.626 4.350 0.006 0.000 0.285 67 E C -1.388 175.132 176.600 -0.133 0.000 0.925 67 E CA -0.613 55.834 56.400 0.078 0.000 0.779 67 E CB 0.801 30.524 29.700 0.038 0.000 1.233 67 E HN -0.012 nan 8.360 nan 0.000 0.414 68 F N 2.419 122.408 119.950 0.065 0.000 2.531 68 F HA 0.256 4.787 4.527 0.006 0.000 0.333 68 F C -0.303 175.481 175.800 -0.027 0.000 1.292 68 F CA -0.872 57.144 58.000 0.028 0.000 1.184 68 F CB 1.125 40.127 39.000 0.004 0.000 1.426 68 F HN 0.465 nan 8.300 nan 0.000 0.559 69 L N 4.527 125.789 121.223 0.065 0.000 2.583 69 L HA 0.078 4.422 4.340 0.006 0.000 0.280 69 L C 1.353 178.235 176.870 0.020 0.000 1.261 69 L CA 0.654 55.505 54.840 0.018 0.000 1.164 69 L CB -0.757 41.313 42.059 0.019 0.000 1.402 69 L HN 0.597 nan 8.230 nan 0.000 0.443 70 I N 0.381 120.939 120.570 -0.021 0.000 2.716 70 I HA 0.377 4.551 4.170 0.006 0.000 0.259 70 I C 1.253 177.316 176.117 -0.089 0.000 1.172 70 I CA 0.398 61.670 61.300 -0.047 0.000 1.478 70 I CB -0.790 37.161 38.000 -0.081 0.000 1.104 70 I HN 0.594 nan 8.210 nan 0.000 0.439 71 G N 2.012 110.744 108.800 -0.113 0.000 2.855 71 G HA2 -0.255 3.709 3.960 0.006 0.000 0.352 71 G HA3 -0.255 3.709 3.960 0.006 0.000 0.352 71 G C -0.406 174.439 174.900 -0.092 0.000 1.415 71 G CA -0.380 44.653 45.100 -0.113 0.000 0.871 71 G HN 0.586 nan 8.290 nan 0.000 0.543 72 R N -0.245 120.219 120.500 -0.060 0.000 2.486 72 R HA 0.188 4.532 4.340 0.006 0.000 0.303 72 R C 1.306 177.613 176.300 0.012 0.000 0.958 72 R CA -0.387 55.727 56.100 0.024 0.000 1.077 72 R CB 0.234 30.544 30.300 0.017 0.000 0.921 72 R HN 0.377 nan 8.270 nan 0.000 0.406 73 L N 2.944 124.214 121.223 0.078 0.000 2.102 73 L HA -0.095 4.249 4.340 0.006 0.000 0.202 73 L C 1.957 178.739 176.870 -0.146 0.000 1.076 73 L CA 1.838 56.609 54.840 -0.114 0.000 0.761 73 L CB -0.514 41.403 42.059 -0.235 0.000 0.921 73 L HN 0.726 nan 8.230 nan 0.000 0.444 74 T N -0.517 114.133 114.554 0.160 0.000 2.531 74 T HA -0.285 4.069 4.350 0.006 0.000 0.261 74 T C 1.725 176.550 174.700 0.209 0.000 1.141 74 T CA 1.855 64.177 62.100 0.368 0.000 1.176 74 T CB -1.203 68.098 68.868 0.721 0.000 0.863 74 T HN 0.519 nan 8.240 nan 0.000 0.424 75 G N 1.028 109.959 108.800 0.219 0.000 2.469 75 G HA2 -0.328 3.636 3.960 0.006 0.000 0.220 75 G HA3 -0.328 3.636 3.960 0.006 0.000 0.220 75 G C 1.483 176.449 174.900 0.110 0.000 1.136 75 G CA 1.446 46.674 45.100 0.215 0.000 0.759 75 G HN 0.616 nan 8.290 nan 0.000 0.562 76 N N 0.770 119.464 118.700 -0.010 0.000 2.188 76 N HA -0.094 4.650 4.740 0.006 0.000 0.184 76 N C 1.995 177.432 175.510 -0.122 0.000 1.018 76 N CA 1.412 54.407 53.050 -0.091 0.000 0.858 76 N CB -0.143 38.252 38.487 -0.153 0.000 0.989 76 N HN 0.186 nan 8.380 nan 0.000 0.426 77 N N 0.259 118.848 118.700 -0.185 0.000 2.216 77 N HA -0.063 4.681 4.740 0.006 0.000 0.183 77 N C 1.573 176.982 175.510 -0.168 0.000 1.017 77 N CA 0.615 53.503 53.050 -0.270 0.000 0.861 77 N CB -0.226 37.941 38.487 -0.534 0.000 0.986 77 N HN 0.344 nan 8.380 nan 0.000 0.428 78 L N 0.335 121.550 121.223 -0.014 0.000 2.093 78 L HA -0.085 4.259 4.340 0.006 0.000 0.208 78 L C 2.264 179.167 176.870 0.056 0.000 1.085 78 L CA 0.492 55.368 54.840 0.060 0.000 0.755 78 L CB -0.262 41.912 42.059 0.191 0.000 0.904 78 L HN 0.101 nan 8.230 nan 0.000 0.435 79 L N 0.218 121.476 121.223 0.057 0.000 2.005 79 L HA -0.197 4.147 4.340 0.006 0.000 0.207 79 L C 1.978 178.821 176.870 -0.044 0.000 1.072 79 L CA 1.749 56.597 54.840 0.013 0.000 0.744 79 L CB -0.426 41.619 42.059 -0.022 0.000 0.895 79 L HN 0.238 nan 8.230 nan 0.000 0.433 80 N N -0.891 117.761 118.700 -0.079 0.000 2.573 80 N HA -0.081 4.663 4.740 0.006 0.000 0.187 80 N C 1.421 176.751 175.510 -0.301 0.000 1.107 80 N CA 0.908 53.873 53.050 -0.141 0.000 0.918 80 N CB -0.083 38.351 38.487 -0.088 0.000 0.966 80 N HN 0.385 nan 8.380 nan 0.000 0.448 81 L N -2.287 118.740 121.223 -0.326 0.000 2.537 81 L HA 0.287 4.631 4.340 0.006 0.000 0.224 81 L C 1.356 178.082 176.870 -0.240 0.000 1.065 81 L CA 0.372 54.919 54.840 -0.489 0.000 0.860 81 L CB 0.123 41.533 42.059 -1.083 0.000 1.086 81 L HN 0.206 nan 8.230 nan 0.000 0.482 82 G N -1.055 107.690 108.800 -0.093 0.000 2.176 82 G HA2 -0.250 3.713 3.960 0.006 0.000 0.253 82 G HA3 -0.250 3.713 3.960 0.006 0.000 0.253 82 G C 0.288 175.327 174.900 0.232 0.000 0.979 82 G CA 0.120 45.257 45.100 0.061 0.000 0.641 82 G HN 0.268 nan 8.290 nan 0.000 0.530 83 W N -0.193 121.046 121.300 -0.102 0.000 2.937 83 W HA 0.328 4.991 4.660 0.006 0.000 0.245 83 W C 1.791 178.112 176.519 -0.330 0.000 1.306 83 W CA -0.001 57.167 57.345 -0.295 0.000 1.470 83 W CB -0.974 28.307 29.460 -0.298 0.000 1.132 83 W HN 0.414 nan 8.180 nan 0.000 0.675 84 Y N 1.860 122.147 120.300 -0.022 0.000 2.081 84 Y HA -0.354 4.200 4.550 0.006 0.000 0.280 84 Y C 2.812 178.648 175.900 -0.106 0.000 1.163 84 Y CA 2.872 60.936 58.100 -0.059 0.000 1.135 84 Y CB -0.670 37.775 38.460 -0.024 0.000 0.970 84 Y HN -0.023 nan 8.280 nan 0.000 0.498 85 Q N 0.329 120.223 119.800 0.157 0.000 2.030 85 Q HA -0.230 4.113 4.340 0.006 0.000 0.204 85 Q C 1.691 177.624 176.000 -0.112 0.000 0.986 85 Q CA 2.216 58.058 55.803 0.065 0.000 0.843 85 Q CB -0.402 28.370 28.738 0.056 0.000 0.904 85 Q HN 0.584 nan 8.270 nan 0.000 0.420 86 D N 0.030 120.287 120.400 -0.238 0.000 2.088 86 D HA -0.166 4.478 4.640 0.006 0.000 0.191 86 D C 2.132 178.080 176.300 -0.587 0.000 0.992 86 D CA 1.728 55.469 54.000 -0.432 0.000 0.831 86 D CB -0.384 39.946 40.800 -0.783 0.000 0.973 86 D HN 0.157 nan 8.370 nan 0.000 0.447 87 V N 1.315 120.690 119.914 -0.898 0.000 2.278 87 V HA -0.305 3.819 4.120 0.006 0.000 0.251 87 V C 2.705 178.573 176.094 -0.377 0.000 1.062 87 V CA 1.990 63.841 62.300 -0.749 0.000 1.038 87 V CB -0.687 30.775 31.823 -0.601 0.000 0.646 87 V HN 0.263 nan 8.190 nan 0.000 0.447 88 Q N -0.469 119.123 119.800 -0.346 0.000 2.030 88 Q HA -0.287 4.057 4.340 0.006 0.000 0.204 88 Q C 2.061 178.005 176.000 -0.093 0.000 0.986 88 Q CA 2.296 57.968 55.803 -0.219 0.000 0.843 88 Q CB -0.192 28.425 28.738 -0.202 0.000 0.904 88 Q HN 0.651 nan 8.270 nan 0.000 0.420 89 D N -0.292 120.059 120.400 -0.082 0.000 2.104 89 D HA -0.122 4.522 4.640 0.006 0.000 0.194 89 D C 2.091 178.416 176.300 0.041 0.000 0.994 89 D CA 1.449 55.441 54.000 -0.014 0.000 0.830 89 D CB -0.332 40.462 40.800 -0.009 0.000 0.959 89 D HN 0.157 nan 8.370 nan 0.000 0.452 90 S N 0.241 115.974 115.700 0.054 0.000 2.374 90 S HA -0.119 4.355 4.470 0.006 0.000 0.227 90 S C 2.143 176.956 174.600 0.355 0.000 1.037 90 S CA 0.680 59.012 58.200 0.221 0.000 1.024 90 S CB -0.245 63.107 63.200 0.253 0.000 0.861 90 S HN 0.269 nan 8.310 nan 0.000 0.456 91 L N 0.360 121.742 121.223 0.265 0.000 2.291 91 L HA 0.002 4.346 4.340 0.006 0.000 0.214 91 L C 2.276 179.241 176.870 0.159 0.000 1.120 91 L CA 0.754 55.762 54.840 0.281 0.000 0.799 91 L CB -0.294 41.843 42.059 0.129 0.000 0.925 91 L HN 0.129 nan 8.230 nan 0.000 0.446 92 K N 0.671 121.124 120.400 0.088 0.000 2.097 92 K HA -0.098 4.225 4.320 0.006 0.000 0.206 92 K C 2.152 178.783 176.600 0.052 0.000 1.049 92 K CA 1.324 57.635 56.287 0.041 0.000 0.933 92 K CB -0.468 32.047 32.500 0.024 0.000 0.717 92 K HN 0.248 nan 8.250 nan 0.000 0.442 93 A N -0.649 122.217 122.820 0.077 0.000 1.972 93 A HA -0.156 4.168 4.320 0.006 0.000 0.219 93 A C 1.370 178.932 177.584 -0.037 0.000 1.169 93 A CA 1.298 53.333 52.037 -0.003 0.000 0.635 93 A CB -0.586 18.386 19.000 -0.048 0.000 0.810 93 A HN 0.388 nan 8.150 nan 0.000 0.446 94 Y N -0.852 119.484 120.300 0.061 0.000 2.493 94 Y HA 0.192 4.745 4.550 0.006 0.000 0.275 94 Y C 0.247 176.111 175.900 -0.059 0.000 1.183 94 Y CA -0.013 58.128 58.100 0.069 0.000 1.258 94 Y CB 0.325 38.907 38.460 0.204 0.000 1.108 94 Y HN 0.318 nan 8.280 nan 0.000 0.521 95 D N 0.218 120.648 120.400 0.050 0.000 2.907 95 D HA -0.165 4.479 4.640 0.006 0.000 0.226 95 D C -0.858 175.355 176.300 -0.146 0.000 1.141 95 D CA 0.581 54.560 54.000 -0.034 0.000 0.779 95 D CB -0.932 39.858 40.800 -0.017 0.000 1.095 95 D HN 0.105 nan 8.370 nan 0.000 0.430 96 I N 0.995 121.449 120.570 -0.193 0.000 2.404 96 I HA 0.192 4.365 4.170 0.006 0.000 0.293 96 I C 0.743 176.765 176.117 -0.158 0.000 0.992 96 I CA -0.611 60.493 61.300 -0.327 0.000 1.149 96 I CB 1.570 39.194 38.000 -0.627 0.000 1.315 96 I HN -0.056 nan 8.210 nan 0.000 0.446 97 N N 6.320 124.942 118.700 -0.129 0.000 2.521 97 N HA 0.025 4.769 4.740 0.006 0.000 0.236 97 N C 0.912 176.402 175.510 -0.033 0.000 1.067 97 N CA -0.306 52.711 53.050 -0.056 0.000 0.939 97 N CB 0.775 39.244 38.487 -0.031 0.000 1.201 97 N HN 0.518 nan 8.380 nan 0.000 0.511 98 L N 4.188 125.388 121.223 -0.038 0.000 2.034 98 L HA -0.249 4.095 4.340 0.006 0.000 0.217 98 L C 1.931 178.821 176.870 0.034 0.000 1.077 98 L CA 2.067 56.884 54.840 -0.038 0.000 0.769 98 L CB -1.039 40.911 42.059 -0.182 0.000 0.890 98 L HN 0.540 nan 8.230 nan 0.000 0.435 99 T N -0.765 113.831 114.554 0.069 0.000 2.652 99 T HA -0.181 4.173 4.350 0.006 0.000 0.267 99 T C 1.493 176.241 174.700 0.080 0.000 1.039 99 T CA 1.509 63.675 62.100 0.111 0.000 1.153 99 T CB -0.446 68.487 68.868 0.107 0.000 0.863 99 T HN 0.405 nan 8.240 nan 0.000 0.428 100 D N 1.014 121.448 120.400 0.056 0.000 2.123 100 D HA -0.062 4.582 4.640 0.006 0.000 0.196 100 D C 2.052 178.394 176.300 0.069 0.000 0.992 100 D CA 0.612 54.641 54.000 0.049 0.000 0.833 100 D CB -0.558 40.258 40.800 0.027 0.000 0.954 100 D HN 0.266 nan 8.370 nan 0.000 0.455 101 L N 0.401 121.677 121.223 0.089 0.000 2.046 101 L HA -0.128 4.216 4.340 0.006 0.000 0.208 101 L C 2.220 179.225 176.870 0.224 0.000 1.077 101 L CA 0.958 55.905 54.840 0.178 0.000 0.747 101 L CB -0.141 42.035 42.059 0.195 0.000 0.896 101 L HN 0.004 nan 8.230 nan 0.000 0.432 102 L N -0.420 120.916 121.223 0.188 0.000 2.187 102 L HA -0.188 4.155 4.340 0.006 0.000 0.213 102 L C 2.633 179.492 176.870 -0.018 0.000 1.100 102 L CA 0.743 55.682 54.840 0.165 0.000 0.765 102 L CB -0.851 41.312 42.059 0.173 0.000 0.904 102 L HN 0.340 nan 8.230 nan 0.000 0.437 103 E N 0.270 120.465 120.200 -0.009 0.000 2.085 103 E HA -0.210 4.144 4.350 0.006 0.000 0.194 103 E C 1.931 178.446 176.600 -0.143 0.000 0.994 103 E CA 0.933 57.304 56.400 -0.047 0.000 0.801 103 E CB -0.286 29.419 29.700 0.009 0.000 0.743 103 E HN 0.469 nan 8.360 nan 0.000 0.453 104 E N 0.993 121.088 120.200 -0.175 0.000 2.339 104 E HA -0.176 4.178 4.350 0.006 0.000 0.201 104 E C 0.628 176.869 176.600 -0.598 0.000 1.015 104 E CA 0.434 56.685 56.400 -0.248 0.000 0.841 104 E CB -0.351 29.318 29.700 -0.052 0.000 0.754 104 E HN 0.424 nan 8.360 nan 0.000 0.508 105 E N 0.774 120.465 120.200 -0.850 0.000 2.257 105 E HA 0.149 4.503 4.350 0.006 0.000 0.278 105 E C -0.359 176.066 176.600 -0.291 0.000 1.049 105 E CA -0.228 55.647 56.400 -0.876 0.000 0.876 105 E CB 0.416 29.730 29.700 -0.642 0.000 1.035 105 E HN -0.013 nan 8.360 nan 0.000 0.419 106 I N 4.267 124.761 120.570 -0.127 0.000 2.441 106 I HA 0.062 4.236 4.170 0.006 0.000 0.287 106 I C -0.055 176.093 176.117 0.051 0.000 1.049 106 I CA -0.717 60.593 61.300 0.016 0.000 1.381 106 I CB 0.828 38.890 38.000 0.103 0.000 1.409 106 I HN 0.491 nan 8.210 nan 0.000 0.523 107 D N 8.176 128.563 120.400 -0.021 0.000 2.455 107 D HA 0.095 4.739 4.640 0.006 0.000 0.241 107 D C -2.308 173.851 176.300 -0.234 0.000 1.138 107 D CA -0.922 53.023 54.000 -0.091 0.000 0.877 107 D CB 0.051 40.780 40.800 -0.119 0.000 1.187 107 D HN 0.216 nan 8.370 nan 0.000 0.451 108 P HA 0.083 nan 4.420 nan 0.000 0.260 108 P C -0.585 176.081 177.300 -1.057 0.000 1.207 108 P CA 0.039 62.417 63.100 -1.203 0.000 0.780 108 P CB 0.407 31.443 31.700 -1.108 0.000 0.789 109 A N 5.112 127.136 122.820 -1.326 0.000 3.030 109 A HA 0.085 4.409 4.320 0.006 0.000 0.273 109 A C 0.536 177.917 177.584 -0.338 0.000 1.841 109 A CA 0.419 52.107 52.037 -0.582 0.000 1.479 109 A CB -1.095 17.773 19.000 -0.221 0.000 1.048 109 A HN 0.440 nan 8.150 nan 0.000 0.612 110 L N 0.513 121.583 121.223 -0.254 0.000 3.014 110 L HA 0.352 4.696 4.340 0.006 0.000 0.263 110 L C 0.853 177.794 176.870 0.119 0.000 1.207 110 L CA 0.736 55.607 54.840 0.051 0.000 1.017 110 L CB -0.700 41.340 42.059 -0.032 0.000 1.360 110 L HN 0.606 nan 8.230 nan 0.000 0.560 111 G N -1.718 107.092 108.800 0.016 0.000 2.645 111 G HA2 0.583 4.546 3.960 0.006 0.000 0.292 111 G HA3 0.583 4.546 3.960 0.006 0.000 0.292 111 G C -0.243 174.672 174.900 0.024 0.000 1.415 111 G CA 0.371 45.489 45.100 0.030 0.000 0.785 111 G HN -0.106 nan 8.290 nan 0.000 0.483 112 A N -1.748 121.129 122.820 0.096 0.000 1.977 112 A HA 0.808 5.132 4.320 0.006 0.000 0.197 112 A C 1.056 178.713 177.584 0.122 0.000 1.554 112 A CA 1.625 53.737 52.037 0.125 0.000 1.037 112 A CB 0.251 19.409 19.000 0.263 0.000 1.083 112 A HN 2.040 nan 8.150 nan 0.000 0.471 113 G N -2.040 106.838 108.800 0.130 0.000 2.793 113 G HA2 0.430 4.394 3.960 0.006 0.000 0.248 113 G HA3 0.430 4.394 3.960 0.006 0.000 0.248 113 G C 0.902 175.848 174.900 0.077 0.000 1.198 113 G CA 0.448 45.617 45.100 0.115 0.000 0.865 113 G HN 0.687 nan 8.290 nan 0.000 0.534 114 G N -0.095 108.743 108.800 0.063 0.000 2.469 114 G HA2 -0.158 3.806 3.960 0.006 0.000 0.219 114 G HA3 -0.158 3.806 3.960 0.006 0.000 0.219 114 G C 1.763 176.665 174.900 0.003 0.000 1.150 114 G CA 1.239 46.353 45.100 0.024 0.000 0.763 114 G HN 0.486 nan 8.290 nan 0.000 0.561 115 L N 0.533 121.763 121.223 0.011 0.000 1.989 115 L HA -0.048 4.296 4.340 0.006 0.000 0.211 115 L C 2.954 179.767 176.870 -0.094 0.000 1.071 115 L CA 1.948 56.741 54.840 -0.078 0.000 0.749 115 L CB -0.686 41.302 42.059 -0.119 0.000 0.890 115 L HN 0.316 nan 8.230 nan 0.000 0.431 116 G N -0.672 108.101 108.800 -0.045 0.000 2.421 116 G HA2 -0.337 3.627 3.960 0.006 0.000 0.216 116 G HA3 -0.337 3.627 3.960 0.006 0.000 0.216 116 G C 1.592 176.452 174.900 -0.066 0.000 1.171 116 G CA 0.807 45.857 45.100 -0.083 0.000 0.775 116 G HN 0.286 nan 8.290 nan 0.000 0.543 117 R N 0.086 120.576 120.500 -0.016 0.000 2.105 117 R HA 0.015 4.359 4.340 0.006 0.000 0.239 117 R C 2.358 178.635 176.300 -0.039 0.000 1.135 117 R CA 1.241 57.354 56.100 0.021 0.000 0.967 117 R CB -0.890 29.434 30.300 0.040 0.000 0.861 117 R HN 0.356 nan 8.270 nan 0.000 0.442 118 L N 0.017 121.160 121.223 -0.134 0.000 2.027 118 L HA 0.045 4.388 4.340 0.006 0.000 0.206 118 L C 2.135 178.746 176.870 -0.432 0.000 1.074 118 L CA 2.168 56.800 54.840 -0.347 0.000 0.745 118 L CB -0.876 40.970 42.059 -0.355 0.000 0.898 118 L HN 0.257 nan 8.230 nan 0.000 0.433 119 A N -0.531 122.152 122.820 -0.229 0.000 1.940 119 A HA -0.150 4.174 4.320 0.006 0.000 0.219 119 A C 2.422 179.974 177.584 -0.053 0.000 1.176 119 A CA 1.850 53.793 52.037 -0.157 0.000 0.631 119 A CB -1.113 17.651 19.000 -0.393 0.000 0.814 119 A HN 0.592 nan 8.150 nan 0.000 0.446 120 A N -0.779 122.041 122.820 0.001 0.000 1.845 120 A HA -0.169 4.155 4.320 0.006 0.000 0.215 120 A C 2.346 179.970 177.584 0.067 0.000 1.195 120 A CA 1.639 53.734 52.037 0.097 0.000 0.616 120 A CB -1.410 17.641 19.000 0.084 0.000 0.832 120 A HN 0.600 nan 8.150 nan 0.000 0.443 121 C N -1.321 118.011 119.300 0.053 0.000 2.393 121 C HA -0.144 4.320 4.460 0.006 0.000 0.276 121 C C 2.486 177.594 174.990 0.198 0.000 1.215 121 C CA 0.967 60.055 59.018 0.117 0.000 1.743 121 C CB -1.735 26.076 27.740 0.119 0.000 2.044 121 C HN 0.600 nan 8.230 nan 0.000 0.464 122 F N 0.394 120.322 119.950 -0.037 0.000 2.126 122 F HA -0.112 4.419 4.527 0.007 0.000 0.299 122 F C 2.172 177.884 175.800 -0.147 0.000 1.096 122 F CA 1.012 58.940 58.000 -0.120 0.000 1.255 122 F CB -1.590 37.219 39.000 -0.319 0.000 0.997 122 F HN 0.106 nan 8.300 nan 0.000 0.479 123 L N 0.449 121.704 121.223 0.052 0.000 2.013 123 L HA -0.254 4.090 4.340 0.006 0.000 0.212 123 L C 2.417 179.287 176.870 -0.001 0.000 1.073 123 L CA 2.055 56.894 54.840 -0.002 0.000 0.753 123 L CB -1.100 40.991 42.059 0.053 0.000 0.890 123 L HN 0.130 nan 8.230 nan 0.000 0.432 124 D N -1.203 119.213 120.400 0.028 0.000 2.087 124 D HA -0.179 4.465 4.640 0.006 0.000 0.192 124 D C 2.029 178.346 176.300 0.029 0.000 0.993 124 D CA 1.783 55.791 54.000 0.014 0.000 0.828 124 D CB 0.188 41.002 40.800 0.024 0.000 0.968 124 D HN 0.323 nan 8.370 nan 0.000 0.448 125 S N 0.062 115.803 115.700 0.069 0.000 2.353 125 S HA -0.183 4.290 4.470 0.006 0.000 0.222 125 S C 2.229 176.847 174.600 0.030 0.000 1.035 125 S CA 1.425 59.664 58.200 0.066 0.000 1.025 125 S CB -0.318 62.949 63.200 0.112 0.000 0.902 125 S HN 0.362 nan 8.310 nan 0.000 0.440 126 M N 1.090 120.692 119.600 0.003 0.000 2.106 126 M HA -0.209 4.275 4.480 0.006 0.000 0.259 126 M C 2.475 178.758 176.300 -0.028 0.000 1.068 126 M CA 1.689 56.969 55.300 -0.033 0.000 1.100 126 M CB -0.631 31.899 32.600 -0.115 0.000 1.351 126 M HN 0.432 nan 8.290 nan 0.000 0.404 127 A N -0.287 122.515 122.820 -0.030 0.000 1.877 127 A HA -0.145 4.179 4.320 0.006 0.000 0.216 127 A C 2.177 179.755 177.584 -0.009 0.000 1.186 127 A CA 2.214 54.234 52.037 -0.028 0.000 0.620 127 A CB -1.132 17.844 19.000 -0.040 0.000 0.822 127 A HN 0.473 nan 8.150 nan 0.000 0.443 128 T N -0.512 114.049 114.554 0.013 0.000 2.746 128 T HA -0.098 4.255 4.350 0.006 0.000 0.267 128 T C 1.681 176.398 174.700 0.029 0.000 1.039 128 T CA 1.597 63.721 62.100 0.039 0.000 1.142 128 T CB -0.323 68.587 68.868 0.069 0.000 0.866 128 T HN 0.115 nan 8.240 nan 0.000 0.444 129 V N 0.553 120.482 119.914 0.025 0.000 3.380 129 V HA 0.202 4.326 4.120 0.006 0.000 0.268 129 V C 2.036 178.140 176.094 0.017 0.000 1.168 129 V CA 1.050 63.365 62.300 0.025 0.000 1.156 129 V CB -0.880 30.964 31.823 0.036 0.000 0.785 129 V HN 0.770 nan 8.190 nan 0.000 0.487 130 G N 0.477 109.280 108.800 0.005 0.000 2.179 130 G HA2 -0.315 3.648 3.960 0.006 0.000 0.260 130 G HA3 -0.315 3.648 3.960 0.006 0.000 0.260 130 G C 0.293 175.195 174.900 0.003 0.000 0.977 130 G CA 0.355 45.456 45.100 0.001 0.000 0.641 130 G HN 0.571 nan 8.290 nan 0.000 0.533 131 Q N 2.018 121.815 119.800 -0.005 0.000 2.300 131 Q HA 0.496 4.840 4.340 0.006 0.000 0.262 131 Q C 0.900 176.858 176.000 -0.069 0.000 1.109 131 Q CA 0.507 56.294 55.803 -0.028 0.000 0.905 131 Q CB 0.064 28.782 28.738 -0.033 0.000 1.280 131 Q HN 0.754 nan 8.270 nan 0.000 0.426 132 S N 2.969 118.652 115.700 -0.029 0.000 2.711 132 S HA 0.467 4.941 4.470 0.006 0.000 0.335 132 S C -0.005 174.496 174.600 -0.165 0.000 1.175 132 S CA -0.114 58.100 58.200 0.025 0.000 1.372 132 S CB -0.109 63.190 63.200 0.164 0.000 1.337 132 S HN 0.661 nan 8.310 nan 0.000 0.572 133 A N 3.336 126.022 122.820 -0.224 0.000 2.414 133 A HA 0.961 5.285 4.320 0.006 0.000 0.278 133 A C -0.073 177.365 177.584 -0.244 0.000 1.228 133 A CA -0.956 50.821 52.037 -0.433 0.000 0.857 133 A CB 1.516 20.303 19.000 -0.355 0.000 1.389 133 A HN 0.644 nan 8.150 nan 0.000 0.452 134 T N -0.190 114.222 114.554 -0.236 0.000 3.193 134 T HA 0.566 4.920 4.350 0.006 0.000 0.332 134 T C -0.180 174.391 174.700 -0.215 0.000 1.208 134 T CA 0.010 61.994 62.100 -0.195 0.000 1.080 134 T CB 1.527 70.325 68.868 -0.117 0.000 1.180 134 T HN 1.260 nan 8.240 nan 0.000 0.469 135 G N 1.278 109.888 108.800 -0.316 0.000 2.377 135 G HA2 0.586 4.549 3.960 0.006 0.000 0.299 135 G HA3 0.586 4.549 3.960 0.006 0.000 0.299 135 G C -1.527 173.068 174.900 -0.508 0.000 1.150 135 G CA -0.281 44.685 45.100 -0.223 0.000 0.847 135 G HN 0.606 nan 8.290 nan 0.000 0.501 136 Y N 1.012 121.343 120.300 0.052 0.000 2.338 136 Y HA 0.592 5.146 4.550 0.006 0.000 0.328 136 Y C 0.750 176.785 175.900 0.225 0.000 0.965 136 Y CA -0.080 58.059 58.100 0.066 0.000 1.208 136 Y CB 2.276 40.866 38.460 0.216 0.000 1.132 136 Y HN 0.845 nan 8.280 nan 0.000 0.469 137 G N 2.200 111.100 108.800 0.166 0.000 3.058 137 G HA2 0.730 4.693 3.960 0.006 0.000 0.282 137 G HA3 0.730 4.693 3.960 0.006 0.000 0.282 137 G C -1.916 173.070 174.900 0.143 0.000 1.248 137 G CA -0.971 44.297 45.100 0.279 0.000 0.822 137 G HN 0.370 nan 8.290 nan 0.000 0.579 138 L N 0.623 121.802 121.223 -0.074 0.000 2.362 138 L HA 0.399 4.743 4.340 0.006 0.000 0.275 138 L C -0.737 175.810 176.870 -0.538 0.000 0.998 138 L CA -0.991 53.697 54.840 -0.254 0.000 0.820 138 L CB 2.193 44.033 42.059 -0.365 0.000 1.270 138 L HN 0.382 nan 8.230 nan 0.000 0.415 139 N N 2.345 120.940 118.700 -0.175 0.000 2.448 139 N HA 0.139 4.883 4.740 0.006 0.000 0.250 139 N C -1.221 174.262 175.510 -0.045 0.000 1.136 139 N CA -0.024 52.997 53.050 -0.049 0.000 0.953 139 N CB -0.005 38.484 38.487 0.004 0.000 1.251 139 N HN 0.187 nan 8.380 nan 0.000 0.502 140 Y N 0.744 121.180 120.300 0.227 0.000 2.299 140 Y HA 0.133 4.687 4.550 0.006 0.000 0.326 140 Y C 1.701 177.754 175.900 0.255 0.000 1.164 140 Y CA -0.600 57.615 58.100 0.191 0.000 1.234 140 Y CB 1.126 39.688 38.460 0.169 0.000 1.219 140 Y HN 0.508 nan 8.280 nan 0.000 0.497 141 Q N 0.274 120.165 119.800 0.151 0.000 2.402 141 Q HA 0.027 4.371 4.340 0.006 0.000 0.206 141 Q C -0.350 175.427 176.000 -0.372 0.000 0.919 141 Q CA 1.106 56.748 55.803 -0.268 0.000 0.923 141 Q CB 0.115 28.459 28.738 -0.657 0.000 1.048 141 Q HN 0.803 nan 8.270 nan 0.000 0.515 142 Y N -0.056 120.428 120.300 0.305 0.000 2.672 142 Y HA 0.382 4.936 4.550 0.006 0.000 0.252 142 Y C 1.538 177.543 175.900 0.175 0.000 1.132 142 Y CA -0.344 57.895 58.100 0.231 0.000 1.228 142 Y CB 0.762 39.306 38.460 0.139 0.000 1.310 142 Y HN 0.220 nan 8.280 nan 0.000 0.549 143 G N 1.489 110.454 108.800 0.274 0.000 2.693 143 G HA2 -0.386 3.577 3.960 0.006 0.000 0.354 143 G HA3 -0.386 3.577 3.960 0.006 0.000 0.354 143 G C 1.149 176.036 174.900 -0.023 0.000 1.207 143 G CA 1.547 46.674 45.100 0.045 0.000 0.958 143 G HN 0.299 nan 8.290 nan 0.000 0.560 144 L N -0.792 120.442 121.223 0.018 0.000 2.428 144 L HA 0.597 4.941 4.340 0.006 0.000 0.190 144 L C 1.000 178.018 176.870 0.248 0.000 1.255 144 L CA 1.373 56.265 54.840 0.087 0.000 0.848 144 L CB -0.074 41.981 42.059 -0.007 0.000 1.088 144 L HN 0.871 nan 8.230 nan 0.000 0.500 145 F N -1.712 118.270 119.950 0.054 0.000 2.746 145 F HA 0.439 4.970 4.527 0.006 0.000 0.311 145 F C -0.766 175.052 175.800 0.030 0.000 1.135 145 F CA -1.430 56.596 58.000 0.043 0.000 0.954 145 F CB 0.846 39.858 39.000 0.021 0.000 1.276 145 F HN -0.122 nan 8.300 nan 0.000 0.440 146 R N 2.760 123.382 120.500 0.204 0.000 2.210 146 R HA 0.334 4.677 4.340 0.006 0.000 0.338 146 R C -0.659 175.761 176.300 0.199 0.000 1.062 146 R CA -0.150 55.999 56.100 0.082 0.000 0.902 146 R CB 0.837 31.189 30.300 0.086 0.000 1.050 146 R HN 0.864 nan 8.270 nan 0.000 0.461 147 Q N 2.913 122.742 119.800 0.047 0.000 2.259 147 Q HA 0.421 4.764 4.340 0.006 0.000 0.249 147 Q C -1.041 174.853 176.000 -0.176 0.000 0.914 147 Q CA -0.341 55.526 55.803 0.108 0.000 0.904 147 Q CB 1.031 29.785 28.738 0.028 0.000 1.213 147 Q HN 0.891 nan 8.270 nan 0.000 0.428 148 S N 1.725 117.264 115.700 -0.269 0.000 2.607 148 S HA 0.681 5.154 4.470 0.006 0.000 0.273 148 S C -1.302 173.016 174.600 -0.468 0.000 1.148 148 S CA -0.820 57.139 58.200 -0.402 0.000 0.833 148 S CB 0.880 63.991 63.200 -0.149 0.000 1.130 148 S HN 0.406 nan 8.310 nan 0.000 0.470 149 F N 0.717 120.641 119.950 -0.044 0.000 2.460 149 F HA 0.621 5.151 4.527 0.005 0.000 0.341 149 F C -0.553 175.229 175.800 -0.030 0.000 1.130 149 F CA -1.350 56.613 58.000 -0.062 0.000 0.962 149 F CB 1.876 40.818 39.000 -0.098 0.000 1.171 149 F HN 0.426 nan 8.300 nan 0.000 0.436 150 V N 3.594 123.605 119.914 0.162 0.000 2.376 150 V HA 0.315 4.439 4.120 0.006 0.000 0.287 150 V C -0.690 175.455 176.094 0.084 0.000 1.015 150 V CA -1.025 61.327 62.300 0.088 0.000 0.834 150 V CB 1.232 33.077 31.823 0.037 0.000 1.001 150 V HN 0.750 nan 8.190 nan 0.000 0.428 151 D N 4.308 124.764 120.400 0.093 0.000 2.716 151 D HA -0.179 4.465 4.640 0.006 0.000 0.239 151 D C 1.383 177.794 176.300 0.185 0.000 1.125 151 D CA 1.511 55.578 54.000 0.111 0.000 0.681 151 D CB -1.146 39.696 40.800 0.070 0.000 1.070 151 D HN 1.339 nan 8.370 nan 0.000 0.432 152 G N -0.588 108.304 108.800 0.153 0.000 2.205 152 G HA2 -0.404 3.559 3.960 0.006 0.000 0.269 152 G HA3 -0.404 3.559 3.960 0.006 0.000 0.269 152 G C 0.379 175.389 174.900 0.183 0.000 0.977 152 G CA 1.204 46.382 45.100 0.130 0.000 0.652 152 G HN 0.523 nan 8.290 nan 0.000 0.539 153 K N 0.372 120.860 120.400 0.147 0.000 2.130 153 K HA 0.455 4.779 4.320 0.006 0.000 0.268 153 K C 0.461 177.158 176.600 0.162 0.000 0.983 153 K CA -0.610 55.714 56.287 0.063 0.000 0.893 153 K CB 1.361 33.782 32.500 -0.133 0.000 1.066 153 K HN 0.346 nan 8.250 nan 0.000 0.450 154 Q N 2.011 121.905 119.800 0.158 0.000 2.352 154 Q HA 0.205 4.549 4.340 0.006 0.000 0.260 154 Q C -1.075 174.948 176.000 0.037 0.000 0.976 154 Q CA -0.352 55.573 55.803 0.204 0.000 0.881 154 Q CB 0.803 29.643 28.738 0.170 0.000 1.235 154 Q HN 0.331 nan 8.270 nan 0.000 0.419 155 V N 2.964 122.876 119.914 -0.003 0.000 2.656 155 V HA 0.398 4.522 4.120 0.006 0.000 0.307 155 V C -1.118 174.914 176.094 -0.102 0.000 1.051 155 V CA -0.949 61.309 62.300 -0.070 0.000 0.893 155 V CB 1.921 33.720 31.823 -0.039 0.000 0.999 155 V HN 0.857 nan 8.190 nan 0.000 0.426 156 E N 2.161 122.219 120.200 -0.236 0.000 2.179 156 E HA 0.814 5.168 4.350 0.006 0.000 0.275 156 E C -0.304 176.268 176.600 -0.047 0.000 0.945 156 E CA -0.258 55.965 56.400 -0.296 0.000 0.792 156 E CB 2.084 31.308 29.700 -0.794 0.000 1.125 156 E HN 1.009 nan 8.360 nan 0.000 0.397 157 A N 3.395 126.284 122.820 0.115 0.000 2.527 157 A HA 0.739 5.063 4.320 0.006 0.000 0.293 157 A C -2.657 174.985 177.584 0.098 0.000 1.117 157 A CA -1.977 50.097 52.037 0.061 0.000 0.723 157 A CB 1.123 20.155 19.000 0.054 0.000 1.313 157 A HN 0.418 nan 8.150 nan 0.000 0.411 158 P HA 0.131 nan 4.420 nan 0.000 0.271 158 P C -0.985 176.436 177.300 0.203 0.000 1.226 158 P CA 0.220 63.313 63.100 -0.012 0.000 0.765 158 P CB 0.432 31.880 31.700 -0.420 0.000 0.835 159 D N 2.785 123.368 120.400 0.305 0.000 2.441 159 D HA -0.016 4.627 4.640 0.006 0.000 0.243 159 D C -0.347 176.176 176.300 0.372 0.000 1.257 159 D CA 0.038 54.198 54.000 0.267 0.000 1.027 159 D CB -0.701 40.215 40.800 0.193 0.000 1.084 159 D HN 0.248 nan 8.370 nan 0.000 0.514 160 D N 3.102 123.669 120.400 0.279 0.000 2.359 160 D HA -0.032 4.612 4.640 0.006 0.000 0.250 160 D C 1.023 177.304 176.300 -0.032 0.000 1.264 160 D CA -0.544 53.537 54.000 0.135 0.000 0.911 160 D CB 0.160 41.011 40.800 0.085 0.000 1.056 160 D HN 0.435 nan 8.370 nan 0.000 0.499 161 W N 3.555 124.737 121.300 -0.196 0.000 3.220 161 W HA 0.202 4.865 4.660 0.006 0.000 0.328 161 W C -0.612 175.857 176.519 -0.084 0.000 1.205 161 W CA -0.523 56.719 57.345 -0.172 0.000 1.773 161 W CB -1.263 28.155 29.460 -0.070 0.000 1.086 161 W HN 0.593 nan 8.180 nan 0.000 0.622 162 H N 0.474 119.405 119.070 -0.231 0.000 2.882 162 H HA -0.187 4.373 4.556 0.006 0.000 0.314 162 H C 1.916 176.918 175.328 -0.543 0.000 1.270 162 H CA 0.703 56.600 56.048 -0.251 0.000 1.165 162 H CB -1.384 28.402 29.762 0.039 0.000 1.436 162 H HN 0.091 nan 8.280 nan 0.000 0.431 163 R N 1.337 121.120 120.500 -1.195 0.000 2.133 163 R HA -0.212 4.132 4.340 0.006 0.000 0.247 163 R C 1.983 177.840 176.300 -0.738 0.000 1.151 163 R CA 2.288 57.459 56.100 -1.549 0.000 0.971 163 R CB -0.193 29.231 30.300 -1.460 0.000 0.866 163 R HN 0.574 nan 8.270 nan 0.000 0.447 164 S N 1.544 116.923 115.700 -0.535 0.000 2.365 164 S HA -0.172 4.302 4.470 0.006 0.000 0.225 164 S C 1.284 175.767 174.600 -0.195 0.000 1.039 164 S CA 1.439 59.397 58.200 -0.404 0.000 1.033 164 S CB -0.504 62.539 63.200 -0.262 0.000 0.887 164 S HN 0.642 nan 8.310 nan 0.000 0.447 165 N N -0.380 118.296 118.700 -0.040 0.000 2.401 165 N HA 0.060 4.803 4.740 0.006 0.000 0.264 165 N C -0.643 174.992 175.510 0.207 0.000 1.238 165 N CA -0.630 52.463 53.050 0.071 0.000 0.889 165 N CB -0.594 37.897 38.487 0.007 0.000 1.196 165 N HN 0.468 nan 8.380 nan 0.000 0.511 166 Y N 2.853 123.301 120.300 0.246 0.000 2.650 166 Y HA 0.171 4.724 4.550 0.006 0.000 0.331 166 Y C -1.233 174.883 175.900 0.360 0.000 1.165 166 Y CA -1.255 57.109 58.100 0.440 0.000 1.473 166 Y CB 0.774 39.659 38.460 0.709 0.000 1.224 166 Y HN 0.016 nan 8.280 nan 0.000 0.533 167 P HA -0.238 nan 4.420 nan 0.000 0.218 167 P C 0.324 177.321 177.300 -0.506 0.000 1.152 167 P CA 2.270 65.044 63.100 -0.543 0.000 0.857 167 P CB -0.064 31.059 31.700 -0.963 0.000 0.787 168 W N -3.227 117.893 121.300 -0.300 0.000 3.290 168 W HA 0.263 4.927 4.660 0.006 0.000 0.287 168 W C 0.454 176.978 176.519 0.009 0.000 1.288 168 W CA -0.628 56.648 57.345 -0.116 0.000 1.725 168 W CB -0.643 28.749 29.460 -0.113 0.000 1.103 168 W HN -0.214 nan 8.180 nan 0.000 0.670 169 F N 1.413 121.600 119.950 0.395 0.000 2.490 169 F HA 0.284 4.815 4.527 0.006 0.000 0.336 169 F C 0.919 176.860 175.800 0.236 0.000 1.178 169 F CA -0.096 58.145 58.000 0.401 0.000 1.301 169 F CB 0.484 39.831 39.000 0.578 0.000 1.175 169 F HN -0.300 nan 8.300 nan 0.000 0.593 170 R N 1.561 122.328 120.500 0.445 0.000 2.515 170 R HA 0.210 4.553 4.340 0.006 0.000 0.278 170 R C -1.838 174.496 176.300 0.056 0.000 1.107 170 R CA -0.586 55.614 56.100 0.168 0.000 0.945 170 R CB 1.059 31.419 30.300 0.100 0.000 1.219 170 R HN 0.883 nan 8.270 nan 0.000 0.434 171 H N 4.305 123.202 119.070 -0.288 0.000 2.860 171 H HA 0.212 4.772 4.556 0.007 0.000 0.312 171 H C -1.251 173.853 175.328 -0.374 0.000 0.995 171 H CA -0.758 54.946 56.048 -0.575 0.000 1.311 171 H CB 1.227 30.208 29.762 -1.301 0.000 1.478 171 H HN 0.453 nan 8.280 nan 0.000 0.508 172 N N 4.492 122.989 118.700 -0.339 0.000 2.402 172 N HA -0.064 4.680 4.740 0.006 0.000 0.252 172 N C 1.052 176.294 175.510 -0.447 0.000 1.118 172 N CA 0.226 53.071 53.050 -0.343 0.000 0.945 172 N CB 1.019 39.408 38.487 -0.164 0.000 1.147 172 N HN 0.864 nan 8.380 nan 0.000 0.495 173 E N 3.748 123.606 120.200 -0.571 0.000 2.086 173 E HA -0.252 4.102 4.350 0.006 0.000 0.200 173 E C 1.088 177.600 176.600 -0.147 0.000 1.012 173 E CA 1.564 57.721 56.400 -0.403 0.000 0.812 173 E CB -0.021 29.504 29.700 -0.292 0.000 0.743 173 E HN 0.698 nan 8.360 nan 0.000 0.453 174 A N 0.690 123.438 122.820 -0.119 0.000 2.259 174 A HA -0.043 4.281 4.320 0.006 0.000 0.212 174 A C 1.681 179.270 177.584 0.007 0.000 1.178 174 A CA 0.522 52.531 52.037 -0.046 0.000 0.734 174 A CB -0.261 18.709 19.000 -0.049 0.000 0.774 174 A HN 0.327 nan 8.150 nan 0.000 0.481 175 L N 0.426 121.662 121.223 0.021 0.000 2.783 175 L HA 0.145 4.489 4.340 0.006 0.000 0.236 175 L C -0.738 176.272 176.870 0.233 0.000 1.225 175 L CA -0.365 54.544 54.840 0.115 0.000 1.026 175 L CB -0.361 41.744 42.059 0.077 0.000 1.314 175 L HN 0.167 nan 8.230 nan 0.000 0.489 176 D N 0.088 120.590 120.400 0.171 0.000 2.283 176 D HA 0.411 5.055 4.640 0.006 0.000 0.248 176 D C -0.243 176.134 176.300 0.128 0.000 1.072 176 D CA 0.075 54.190 54.000 0.192 0.000 0.929 176 D CB 2.621 43.496 40.800 0.126 0.000 1.182 176 D HN -0.242 nan 8.370 nan 0.000 0.433 177 V N 1.839 121.799 119.914 0.077 0.000 2.760 177 V HA 0.239 4.363 4.120 0.006 0.000 0.309 177 V C -0.441 175.632 176.094 -0.036 0.000 1.077 177 V CA -0.872 61.408 62.300 -0.033 0.000 0.910 177 V CB 2.015 33.713 31.823 -0.209 0.000 1.008 177 V HN 0.332 nan 8.190 nan 0.000 0.424 178 Q N 2.181 121.962 119.800 -0.033 0.000 2.243 178 Q HA 0.636 4.980 4.340 0.006 0.000 0.252 178 Q C -0.840 175.144 176.000 -0.026 0.000 0.909 178 Q CA -0.095 55.692 55.803 -0.028 0.000 0.922 178 Q CB 1.863 30.579 28.738 -0.036 0.000 1.215 178 Q HN 0.611 nan 8.270 nan 0.000 0.427 179 V N 2.335 122.250 119.914 0.001 0.000 2.409 179 V HA 0.647 4.771 4.120 0.006 0.000 0.291 179 V C 0.381 176.535 176.094 0.100 0.000 1.020 179 V CA -0.959 61.372 62.300 0.052 0.000 0.848 179 V CB 1.557 33.440 31.823 0.101 0.000 0.990 179 V HN 0.829 nan 8.190 nan 0.000 0.430 180 G N 5.215 114.119 108.800 0.173 0.000 2.415 180 G HA2 0.617 4.581 3.960 0.006 0.000 0.269 180 G HA3 0.617 4.581 3.960 0.006 0.000 0.269 180 G C -0.709 174.431 174.900 0.401 0.000 1.209 180 G CA -0.241 44.902 45.100 0.072 0.000 0.835 180 G HN 0.438 nan 8.290 nan 0.000 0.534 181 I N 1.090 121.852 120.570 0.319 0.000 2.686 181 I HA 0.561 4.735 4.170 0.006 0.000 0.295 181 I C 0.984 177.320 176.117 0.365 0.000 1.114 181 I CA 0.375 61.913 61.300 0.397 0.000 1.038 181 I CB 0.898 39.130 38.000 0.388 0.000 1.238 181 I HN 1.011 nan 8.210 nan 0.000 0.420 182 G N 4.255 113.253 108.800 0.330 0.000 2.566 182 G HA2 0.133 4.097 3.960 0.006 0.000 0.280 182 G HA3 0.133 4.097 3.960 0.006 0.000 0.280 182 G C 0.485 175.631 174.900 0.411 0.000 1.225 182 G CA 0.437 45.699 45.100 0.270 0.000 0.966 182 G HN 1.975 nan 8.290 nan 0.000 0.560 183 G N -1.418 107.547 108.800 0.275 0.000 2.512 183 G HA2 0.451 4.415 3.960 0.006 0.000 0.240 183 G HA3 0.451 4.415 3.960 0.006 0.000 0.240 183 G C 0.312 175.396 174.900 0.307 0.000 1.246 183 G CA 1.675 46.938 45.100 0.272 0.000 0.919 183 G HN 3.139 nan 8.290 nan 0.000 0.577 184 A N -2.464 120.580 122.820 0.374 0.000 2.597 184 A HA 0.778 5.102 4.320 0.006 0.000 0.292 184 A C -0.645 177.165 177.584 0.376 0.000 1.057 184 A CA 0.362 52.578 52.037 0.299 0.000 0.674 184 A CB 1.152 20.249 19.000 0.162 0.000 1.278 184 A HN 2.066 nan 8.150 nan 0.000 0.416 185 V N 1.761 121.828 119.914 0.256 0.000 2.539 185 V HA 0.582 4.706 4.120 0.006 0.000 0.292 185 V C 1.269 177.447 176.094 0.140 0.000 1.045 185 V CA 0.170 62.605 62.300 0.226 0.000 0.945 185 V CB 1.246 33.153 31.823 0.138 0.000 0.993 185 V HN 1.272 nan 8.190 nan 0.000 0.464 186 T N 2.270 116.898 114.554 0.124 0.000 2.887 186 T HA 0.123 4.477 4.350 0.006 0.000 0.371 186 T C 1.020 175.760 174.700 0.067 0.000 1.126 186 T CA -0.070 62.081 62.100 0.084 0.000 1.043 186 T CB 0.293 69.204 68.868 0.071 0.000 1.362 186 T HN 0.469 nan 8.240 nan 0.000 0.525 187 K N 0.705 121.137 120.400 0.053 0.000 2.217 187 K HA 0.129 4.453 4.320 0.006 0.000 0.202 187 K C 0.404 177.030 176.600 0.044 0.000 1.051 187 K CA 0.832 57.145 56.287 0.043 0.000 0.952 187 K CB -0.263 32.258 32.500 0.035 0.000 0.736 187 K HN 0.584 nan 8.250 nan 0.000 0.453 188 D N -1.418 119.012 120.400 0.051 0.000 2.478 188 D HA 0.188 4.832 4.640 0.006 0.000 0.263 188 D C 0.775 177.114 176.300 0.066 0.000 1.153 188 D CA -0.473 53.559 54.000 0.053 0.000 1.038 188 D CB 0.370 41.200 40.800 0.050 0.000 1.120 188 D HN 0.049 nan 8.370 nan 0.000 0.564 189 G N 0.136 108.977 108.800 0.069 0.000 3.375 189 G HA2 -0.017 3.947 3.960 0.006 0.000 0.247 189 G HA3 -0.017 3.947 3.960 0.006 0.000 0.247 189 G C 0.089 175.055 174.900 0.111 0.000 1.343 189 G CA -0.202 44.948 45.100 0.084 0.000 1.368 189 G HN -0.047 nan 8.290 nan 0.000 0.549 190 R N 0.211 120.782 120.500 0.117 0.000 2.246 190 R HA 0.171 4.515 4.340 0.006 0.000 0.332 190 R C -1.072 175.355 176.300 0.212 0.000 0.974 190 R CA -1.234 54.950 56.100 0.139 0.000 0.837 190 R CB 1.014 31.368 30.300 0.089 0.000 1.145 190 R HN 0.344 nan 8.270 nan 0.000 0.467 191 W N 3.684 125.004 121.300 0.033 0.000 2.272 191 W HA 0.207 4.871 4.660 0.006 0.000 0.318 191 W C -0.607 175.940 176.519 0.047 0.000 1.255 191 W CA -0.745 56.624 57.345 0.040 0.000 1.200 191 W CB 0.876 30.361 29.460 0.042 0.000 1.170 191 W HN 0.484 nan 8.180 nan 0.000 0.549 192 E N 8.446 128.585 120.200 -0.102 0.000 2.402 192 E HA 0.189 4.542 4.350 0.006 0.000 0.244 192 E C -2.188 174.192 176.600 -0.368 0.000 0.945 192 E CA -1.938 54.290 56.400 -0.287 0.000 0.774 192 E CB 1.315 30.976 29.700 -0.064 0.000 1.296 192 E HN 0.195 nan 8.360 nan 0.000 0.414 193 P HA -0.093 nan 4.420 nan 0.000 0.272 193 P C 0.120 177.385 177.300 -0.058 0.000 1.254 193 P CA 0.232 63.133 63.100 -0.333 0.000 0.795 193 P CB 0.955 32.342 31.700 -0.521 0.000 1.022 194 E N -0.944 119.309 120.200 0.088 0.000 2.413 194 E HA 0.110 4.464 4.350 0.006 0.000 0.203 194 E C -0.128 176.602 176.600 0.217 0.000 0.957 194 E CA 0.031 56.499 56.400 0.113 0.000 0.950 194 E CB 0.168 29.929 29.700 0.102 0.000 0.957 194 E HN 0.253 nan 8.360 nan 0.000 0.497 195 F N 1.430 121.398 119.950 0.030 0.000 2.593 195 F HA 0.546 5.076 4.527 0.006 0.000 0.320 195 F C -1.211 174.629 175.800 0.067 0.000 1.060 195 F CA -1.172 56.858 58.000 0.050 0.000 0.940 195 F CB 2.562 41.591 39.000 0.049 0.000 1.268 195 F HN -0.257 nan 8.300 nan 0.000 0.475 196 T N 5.845 120.252 114.554 -0.245 0.000 3.170 196 T HA 0.483 4.837 4.350 0.006 0.000 0.315 196 T C -0.592 173.886 174.700 -0.370 0.000 0.967 196 T CA -0.453 61.516 62.100 -0.218 0.000 1.024 196 T CB 0.827 69.649 68.868 -0.077 0.000 1.018 196 T HN 0.242 nan 8.240 nan 0.000 0.449 197 I N 2.406 122.791 120.570 -0.308 0.000 2.797 197 I HA 0.490 4.664 4.170 0.006 0.000 0.310 197 I C 0.631 176.699 176.117 -0.081 0.000 0.990 197 I CA -0.575 60.574 61.300 -0.252 0.000 1.228 197 I CB 1.122 38.960 38.000 -0.270 0.000 1.406 197 I HN 0.503 nan 8.210 nan 0.000 0.534 198 T N 2.639 117.174 114.554 -0.032 0.000 2.840 198 T HA 0.548 4.902 4.350 0.006 0.000 0.287 198 T C 0.132 174.952 174.700 0.200 0.000 0.991 198 T CA -0.586 61.541 62.100 0.045 0.000 0.964 198 T CB 1.581 70.435 68.868 -0.023 0.000 0.954 198 T HN 0.861 nan 8.240 nan 0.000 0.438 199 G N 2.318 111.289 108.800 0.286 0.000 2.356 199 G HA2 0.571 4.535 3.960 0.006 0.000 0.322 199 G HA3 0.571 4.535 3.960 0.006 0.000 0.322 199 G C -0.768 174.386 174.900 0.422 0.000 1.125 199 G CA -0.580 44.785 45.100 0.440 0.000 0.885 199 G HN 0.607 nan 8.290 nan 0.000 0.467 200 Q N 0.160 120.266 119.800 0.509 0.000 2.312 200 Q HA 0.563 4.907 4.340 0.006 0.000 0.263 200 Q C -0.377 175.846 176.000 0.371 0.000 0.995 200 Q CA -0.821 55.201 55.803 0.364 0.000 0.853 200 Q CB 2.610 31.454 28.738 0.176 0.000 1.300 200 Q HN 0.627 nan 8.270 nan 0.000 0.448 201 A N 2.540 125.424 122.820 0.106 0.000 2.316 201 A HA 0.353 4.677 4.320 0.006 0.000 0.311 201 A C -1.439 176.025 177.584 -0.200 0.000 1.339 201 A CA -0.345 51.565 52.037 -0.212 0.000 0.960 201 A CB -0.138 18.669 19.000 -0.322 0.000 1.152 201 A HN 0.721 nan 8.150 nan 0.000 0.547 202 W N 3.377 124.606 121.300 -0.118 0.000 2.322 202 W HA 0.322 4.986 4.660 0.007 0.000 0.321 202 W C -0.340 176.332 176.519 0.255 0.000 0.991 202 W CA -0.409 56.966 57.345 0.050 0.000 1.448 202 W CB 1.191 30.547 29.460 -0.173 0.000 1.239 202 W HN 0.728 nan 8.180 nan 0.000 0.399 203 D N 2.303 122.917 120.400 0.356 0.000 2.185 203 D HA 0.431 5.074 4.640 0.006 0.000 0.247 203 D C -0.718 175.631 176.300 0.081 0.000 1.027 203 D CA -0.600 53.481 54.000 0.134 0.000 0.861 203 D CB 2.472 43.229 40.800 -0.072 0.000 1.202 203 D HN -0.045 nan 8.370 nan 0.000 0.453 204 L N 1.453 122.620 121.223 -0.095 0.000 2.344 204 L HA 0.444 4.788 4.340 0.006 0.000 0.272 204 L C -2.247 174.558 176.870 -0.107 0.000 1.035 204 L CA -2.467 52.286 54.840 -0.145 0.000 0.807 204 L CB 1.007 42.931 42.059 -0.226 0.000 1.237 204 L HN 0.329 nan 8.230 nan 0.000 0.442 205 P HA 0.197 nan 4.420 nan 0.000 0.286 205 P C -0.993 176.198 177.300 -0.181 0.000 1.269 205 P CA -0.323 62.712 63.100 -0.109 0.000 0.787 205 P CB 1.422 33.087 31.700 -0.059 0.000 0.920 206 V N 4.960 124.787 119.914 -0.146 0.000 2.275 206 V HA 0.109 4.232 4.120 0.006 0.000 0.272 206 V C 0.466 176.482 176.094 -0.129 0.000 1.028 206 V CA -0.703 61.512 62.300 -0.142 0.000 0.810 206 V CB 1.442 33.197 31.823 -0.114 0.000 1.043 206 V HN 0.285 nan 8.190 nan 0.000 0.453 207 V N 4.532 124.348 119.914 -0.162 0.000 2.427 207 V HA 0.432 4.556 4.120 0.006 0.000 0.268 207 V C 1.234 177.263 176.094 -0.109 0.000 1.046 207 V CA -0.161 62.046 62.300 -0.155 0.000 0.970 207 V CB 1.013 32.704 31.823 -0.220 0.000 1.001 207 V HN 0.857 nan 8.190 nan 0.000 0.476 208 G N 3.035 111.784 108.800 -0.084 0.000 2.491 208 G HA2 0.161 4.125 3.960 0.006 0.000 0.242 208 G HA3 0.161 4.125 3.960 0.006 0.000 0.242 208 G C -0.539 174.340 174.900 -0.034 0.000 1.266 208 G CA -0.280 44.796 45.100 -0.040 0.000 0.844 208 G HN 0.714 nan 8.290 nan 0.000 0.571 209 Y N 2.796 123.036 120.300 -0.100 0.000 2.697 209 Y HA 0.102 4.656 4.550 0.006 0.000 0.349 209 Y C 1.565 177.403 175.900 -0.103 0.000 1.120 209 Y CA 0.019 58.053 58.100 -0.111 0.000 1.468 209 Y CB 0.167 38.561 38.460 -0.110 0.000 1.182 209 Y HN 0.705 nan 8.280 nan 0.000 0.525 210 R N 1.627 121.761 120.500 -0.610 0.000 4.021 210 R HA -0.335 4.008 4.340 0.006 0.000 0.392 210 R C 0.944 177.099 176.300 -0.242 0.000 1.156 210 R CA 1.453 57.257 56.100 -0.494 0.000 1.328 210 R CB -2.220 27.670 30.300 -0.683 0.000 1.863 210 R HN 0.847 nan 8.270 nan 0.000 0.569 211 N N 0.595 119.199 118.700 -0.161 0.000 2.461 211 N HA 0.021 4.765 4.740 0.006 0.000 0.188 211 N C 1.144 176.597 175.510 -0.096 0.000 1.134 211 N CA 1.221 54.212 53.050 -0.098 0.000 0.878 211 N CB -0.096 38.357 38.487 -0.057 0.000 0.972 211 N HN 0.487 nan 8.380 nan 0.000 0.456 212 G N -0.525 108.206 108.800 -0.115 0.000 2.153 212 G HA2 -0.258 3.706 3.960 0.006 0.000 0.252 212 G HA3 -0.258 3.706 3.960 0.006 0.000 0.252 212 G C -0.241 174.613 174.900 -0.077 0.000 0.994 212 G CA 0.439 45.482 45.100 -0.095 0.000 0.698 212 G HN 0.325 nan 8.290 nan 0.000 0.521 213 V N 0.012 119.879 119.914 -0.078 0.000 2.863 213 V HA 0.822 4.946 4.120 0.006 0.000 0.307 213 V C 0.651 176.709 176.094 -0.059 0.000 1.061 213 V CA 0.226 62.494 62.300 -0.054 0.000 1.024 213 V CB 1.801 33.597 31.823 -0.045 0.000 1.049 213 V HN 1.498 nan 8.190 nan 0.000 0.471 214 A N 3.327 126.125 122.820 -0.037 0.000 2.466 214 A HA 0.680 5.004 4.320 0.006 0.000 0.284 214 A C -0.952 176.613 177.584 -0.033 0.000 1.049 214 A CA -0.648 51.362 52.037 -0.045 0.000 0.760 214 A CB 1.373 20.357 19.000 -0.027 0.000 1.274 214 A HN 0.599 nan 8.150 nan 0.000 0.412 215 Q N 2.508 122.274 119.800 -0.055 0.000 2.345 215 Q HA 0.574 4.918 4.340 0.006 0.000 0.268 215 Q C -2.731 173.213 176.000 -0.092 0.000 1.054 215 Q CA -1.930 53.839 55.803 -0.058 0.000 0.835 215 Q CB 2.862 31.561 28.738 -0.065 0.000 1.339 215 Q HN 0.608 nan 8.270 nan 0.000 0.447 216 P HA 0.204 nan 4.420 nan 0.000 0.290 216 P C -0.847 176.298 177.300 -0.259 0.000 1.276 216 P CA -0.661 62.342 63.100 -0.162 0.000 0.808 216 P CB 0.986 32.593 31.700 -0.154 0.000 0.966 217 L N 4.349 125.399 121.223 -0.288 0.000 2.321 217 L HA 0.439 4.783 4.340 0.006 0.000 0.272 217 L C 0.317 176.924 176.870 -0.437 0.000 1.050 217 L CA -0.855 53.730 54.840 -0.426 0.000 0.893 217 L CB 0.142 41.961 42.059 -0.401 0.000 1.272 217 L HN 0.244 nan 8.230 nan 0.000 0.435 218 R N 4.820 124.973 120.500 -0.579 0.000 2.357 218 R HA 0.332 4.676 4.340 0.006 0.000 0.330 218 R C -1.181 174.786 176.300 -0.555 0.000 1.102 218 R CA 0.083 55.816 56.100 -0.611 0.000 0.974 218 R CB -0.138 29.633 30.300 -0.881 0.000 1.002 218 R HN 0.743 nan 8.270 nan 0.000 0.463 219 L N 5.974 127.016 121.223 -0.301 0.000 2.255 219 L HA 0.317 4.661 4.340 0.006 0.000 0.289 219 L C -0.355 176.483 176.870 -0.053 0.000 1.046 219 L CA -0.716 54.039 54.840 -0.141 0.000 0.816 219 L CB 0.743 42.831 42.059 0.048 0.000 1.197 219 L HN 0.569 nan 8.230 nan 0.000 0.427 220 W N 3.478 124.814 121.300 0.060 0.000 2.266 220 W HA 0.280 4.944 4.660 0.006 0.000 0.317 220 W C 0.455 177.076 176.519 0.169 0.000 1.310 220 W CA -0.120 57.267 57.345 0.070 0.000 1.207 220 W CB 0.604 29.977 29.460 -0.145 0.000 1.199 220 W HN 0.440 nan 8.180 nan 0.000 0.544 221 Q N 2.489 122.616 119.800 0.545 0.000 2.331 221 Q HA 0.600 4.944 4.340 0.006 0.000 0.267 221 Q C -0.599 175.677 176.000 0.460 0.000 1.006 221 Q CA -0.716 55.312 55.803 0.374 0.000 0.818 221 Q CB 1.704 30.500 28.738 0.097 0.000 1.276 221 Q HN 0.594 nan 8.270 nan 0.000 0.450 222 A N 2.584 125.568 122.820 0.274 0.000 2.366 222 A HA 0.608 4.932 4.320 0.006 0.000 0.272 222 A C -0.176 177.410 177.584 0.004 0.000 1.135 222 A CA 0.137 52.150 52.037 -0.040 0.000 0.804 222 A CB 0.439 19.145 19.000 -0.491 0.000 1.064 222 A HN 0.759 nan 8.150 nan 0.000 0.499 223 T N -0.288 114.273 114.554 0.011 0.000 2.843 223 T HA 0.599 4.952 4.350 0.006 0.000 0.302 223 T C -0.922 173.795 174.700 0.029 0.000 1.232 223 T CA -0.614 61.509 62.100 0.039 0.000 1.009 223 T CB 1.302 70.210 68.868 0.066 0.000 1.254 223 T HN 0.834 nan 8.240 nan 0.000 0.504 224 H N -0.185 118.868 119.070 -0.028 0.000 2.622 224 H HA 0.742 5.302 4.556 0.006 0.000 0.363 224 H C 0.874 176.176 175.328 -0.043 0.000 1.151 224 H CA -0.032 55.990 56.048 -0.043 0.000 1.184 224 H CB 1.918 31.695 29.762 0.025 0.000 1.643 224 H HN 0.894 nan 8.280 nan 0.000 0.531 225 A N 2.808 125.144 122.820 -0.808 0.000 2.239 225 A HA 0.011 4.335 4.320 0.006 0.000 0.209 225 A C -0.230 176.853 177.584 -0.836 0.000 1.171 225 A CA 0.849 52.504 52.037 -0.636 0.000 0.768 225 A CB -0.436 18.243 19.000 -0.536 0.000 0.790 225 A HN 0.799 nan 8.150 nan 0.000 0.478 226 H N -1.739 117.347 119.070 0.027 0.000 2.733 226 H HA 0.173 4.733 4.556 0.006 0.000 0.230 226 H C -2.293 173.311 175.328 0.460 0.000 1.402 226 H CA -0.739 55.483 56.048 0.288 0.000 1.464 226 H CB 0.900 30.823 29.762 0.268 0.000 1.877 226 H HN 0.163 nan 8.280 nan 0.000 0.593 227 P HA -0.102 nan 4.420 nan 0.000 0.229 227 P C -0.086 177.404 177.300 0.317 0.000 1.160 227 P CA 0.723 64.007 63.100 0.306 0.000 0.777 227 P CB 0.618 32.450 31.700 0.219 0.000 0.814 228 F N 1.052 121.086 119.950 0.140 0.000 2.518 228 F HA 0.473 5.004 4.527 0.006 0.000 0.323 228 F C -1.017 174.854 175.800 0.119 0.000 1.129 228 F CA -1.177 56.887 58.000 0.106 0.000 0.920 228 F CB 1.638 40.662 39.000 0.040 0.000 1.160 228 F HN -0.364 nan 8.300 nan 0.000 0.440 229 D N 6.264 126.408 120.400 -0.427 0.000 2.373 229 D HA 0.209 4.853 4.640 0.006 0.000 0.227 229 D C 1.030 176.960 176.300 -0.618 0.000 1.091 229 D CA -0.235 53.561 54.000 -0.340 0.000 0.840 229 D CB 0.998 41.698 40.800 -0.168 0.000 1.060 229 D HN 0.726 nan 8.370 nan 0.000 0.502 230 L N 2.826 123.849 121.223 -0.334 0.000 1.989 230 L HA -0.201 4.143 4.340 0.006 0.000 0.211 230 L C 1.836 178.695 176.870 -0.019 0.000 1.071 230 L CA 1.404 56.169 54.840 -0.125 0.000 0.749 230 L CB -0.356 41.768 42.059 0.110 0.000 0.890 230 L HN 0.554 nan 8.230 nan 0.000 0.431 231 T N -0.491 114.051 114.554 -0.021 0.000 2.665 231 T HA -0.289 4.065 4.350 0.006 0.000 0.268 231 T C 1.822 176.519 174.700 -0.005 0.000 1.035 231 T CA 1.745 63.847 62.100 0.003 0.000 1.151 231 T CB -0.186 68.675 68.868 -0.012 0.000 0.862 231 T HN 0.302 nan 8.240 nan 0.000 0.438 232 K N -0.150 120.222 120.400 -0.047 0.000 2.097 232 K HA 0.004 4.328 4.320 0.006 0.000 0.206 232 K C 1.983 178.576 176.600 -0.012 0.000 1.049 232 K CA 1.009 57.264 56.287 -0.054 0.000 0.933 232 K CB -0.289 32.168 32.500 -0.072 0.000 0.717 232 K HN 0.258 nan 8.250 nan 0.000 0.442 233 F N 2.253 122.151 119.950 -0.086 0.000 2.113 233 F HA -0.150 4.380 4.527 0.006 0.000 0.297 233 F C 1.789 177.725 175.800 0.226 0.000 1.103 233 F CA 1.330 59.422 58.000 0.153 0.000 1.248 233 F CB -0.044 39.042 39.000 0.143 0.000 0.999 233 F HN 0.019 nan 8.300 nan 0.000 0.475 234 N N 0.379 119.261 118.700 0.303 0.000 2.520 234 N HA -0.129 4.615 4.740 0.006 0.000 0.185 234 N C 0.874 176.422 175.510 0.064 0.000 1.068 234 N CA 1.083 54.257 53.050 0.207 0.000 0.911 234 N CB -0.421 38.170 38.487 0.174 0.000 0.961 234 N HN 0.349 nan 8.380 nan 0.000 0.446 235 D N -1.087 119.303 120.400 -0.017 0.000 2.348 235 D HA 0.153 4.797 4.640 0.006 0.000 0.211 235 D C 1.404 177.573 176.300 -0.218 0.000 0.998 235 D CA 0.601 54.547 54.000 -0.090 0.000 0.873 235 D CB 0.184 40.929 40.800 -0.091 0.000 0.925 235 D HN 0.305 nan 8.370 nan 0.000 0.524 236 G N 0.746 109.317 108.800 -0.382 0.000 2.194 236 G HA2 -0.233 3.730 3.960 0.006 0.000 0.236 236 G HA3 -0.233 3.730 3.960 0.006 0.000 0.236 236 G C 0.140 174.271 174.900 -1.282 0.000 0.987 236 G CA -0.069 44.480 45.100 -0.918 0.000 0.635 236 G HN 0.280 nan 8.290 nan 0.000 0.520 237 D N 0.802 120.805 120.400 -0.662 0.000 2.517 237 D HA 0.474 5.118 4.640 0.006 0.000 0.220 237 D C 1.397 177.521 176.300 -0.294 0.000 1.158 237 D CA -0.700 53.031 54.000 -0.448 0.000 0.992 237 D CB -0.354 40.312 40.800 -0.223 0.000 1.058 237 D HN 0.084 nan 8.370 nan 0.000 0.516 238 F N 1.502 121.350 119.950 -0.171 0.000 2.113 238 F HA -0.095 4.435 4.527 0.006 0.000 0.297 238 F C 2.164 178.030 175.800 0.111 0.000 1.103 238 F CA 0.301 58.243 58.000 -0.096 0.000 1.248 238 F CB -0.909 37.984 39.000 -0.178 0.000 0.999 238 F HN 0.311 nan 8.300 nan 0.000 0.475 239 L N 0.182 121.529 121.223 0.208 0.000 2.056 239 L HA -0.108 4.236 4.340 0.006 0.000 0.207 239 L C 2.519 179.451 176.870 0.104 0.000 1.078 239 L CA 1.489 56.421 54.840 0.153 0.000 0.749 239 L CB -0.420 41.693 42.059 0.090 0.000 0.901 239 L HN -0.060 nan 8.230 nan 0.000 0.433 240 R N -0.097 120.430 120.500 0.043 0.000 2.237 240 R HA 0.015 4.359 4.340 0.006 0.000 0.219 240 R C 2.006 178.315 176.300 0.015 0.000 1.080 240 R CA 1.131 57.238 56.100 0.010 0.000 0.995 240 R CB -0.477 29.803 30.300 -0.034 0.000 0.875 240 R HN 0.539 nan 8.270 nan 0.000 0.462 241 A N 0.356 123.204 122.820 0.047 0.000 1.968 241 A HA -0.048 4.275 4.320 0.006 0.000 0.217 241 A C 1.472 179.080 177.584 0.040 0.000 1.169 241 A CA 1.076 53.098 52.037 -0.024 0.000 0.638 241 A CB -0.178 18.768 19.000 -0.091 0.000 0.812 241 A HN 0.285 nan 8.150 nan 0.000 0.446 242 E N -0.326 119.961 120.200 0.144 0.000 2.427 242 E HA -0.154 4.199 4.350 0.006 0.000 0.196 242 E C 1.810 178.478 176.600 0.114 0.000 1.028 242 E CA 0.779 57.286 56.400 0.178 0.000 0.864 242 E CB -0.193 29.628 29.700 0.202 0.000 0.813 242 E HN 0.752 nan 8.360 nan 0.000 0.514 243 Q N 1.661 121.499 119.800 0.064 0.000 2.082 243 Q HA -0.281 4.063 4.340 0.006 0.000 0.211 243 Q C 2.129 178.138 176.000 0.016 0.000 1.002 243 Q CA 2.303 58.120 55.803 0.023 0.000 0.868 243 Q CB -0.220 28.509 28.738 -0.016 0.000 0.931 243 Q HN 0.301 nan 8.270 nan 0.000 0.414 244 Q N -1.683 118.126 119.800 0.016 0.000 2.170 244 Q HA -0.107 4.237 4.340 0.006 0.000 0.203 244 Q C 1.759 177.792 176.000 0.055 0.000 0.976 244 Q CA 1.310 57.103 55.803 -0.016 0.000 0.858 244 Q CB -0.320 28.390 28.738 -0.046 0.000 0.907 244 Q HN 0.560 nan 8.270 nan 0.000 0.433 245 G N 0.466 109.346 108.800 0.133 0.000 2.395 245 G HA2 -0.158 3.806 3.960 0.006 0.000 0.214 245 G HA3 -0.158 3.806 3.960 0.006 0.000 0.214 245 G C 1.359 176.344 174.900 0.142 0.000 1.177 245 G CA 0.355 45.562 45.100 0.178 0.000 0.794 245 G HN 0.295 nan 8.290 nan 0.000 0.532 246 I N 1.187 121.827 120.570 0.116 0.000 2.151 246 I HA -0.233 3.941 4.170 0.006 0.000 0.243 246 I C 2.162 178.336 176.117 0.095 0.000 1.080 246 I CA 1.324 62.682 61.300 0.097 0.000 1.339 246 I CB -0.273 37.775 38.000 0.080 0.000 1.039 246 I HN 0.121 nan 8.210 nan 0.000 0.409 247 N N 0.236 118.993 118.700 0.096 0.000 2.571 247 N HA -0.004 4.740 4.740 0.006 0.000 0.189 247 N C 1.288 176.954 175.510 0.260 0.000 1.154 247 N CA 0.840 53.954 53.050 0.106 0.000 0.907 247 N CB 0.155 38.616 38.487 -0.044 0.000 0.977 247 N HN 0.362 nan 8.380 nan 0.000 0.449 248 A N 0.070 123.029 122.820 0.232 0.000 2.055 248 A HA 0.146 4.470 4.320 0.006 0.000 0.205 248 A C 1.705 179.278 177.584 -0.017 0.000 1.235 248 A CA 0.124 52.231 52.037 0.117 0.000 0.822 248 A CB 0.183 19.219 19.000 0.061 0.000 0.903 248 A HN 0.133 nan 8.150 nan 0.000 0.473 249 E N 0.884 121.108 120.200 0.039 0.000 2.285 249 E HA -0.145 4.209 4.350 0.006 0.000 0.194 249 E C 1.662 178.290 176.600 0.046 0.000 0.997 249 E CA 1.030 57.444 56.400 0.025 0.000 0.845 249 E CB -0.118 29.616 29.700 0.056 0.000 0.782 249 E HN 0.773 nan 8.360 nan 0.000 0.491 250 K N 1.097 121.535 120.400 0.064 0.000 2.281 250 K HA -0.127 4.196 4.320 0.006 0.000 0.203 250 K C 1.941 178.596 176.600 0.092 0.000 1.046 250 K CA 0.962 57.302 56.287 0.088 0.000 0.938 250 K CB -0.283 32.269 32.500 0.086 0.000 0.737 250 K HN 0.117 nan 8.250 nan 0.000 0.458 251 L N 1.816 123.059 121.223 0.033 0.000 2.127 251 L HA -0.107 4.237 4.340 0.006 0.000 0.211 251 L C 1.757 178.732 176.870 0.176 0.000 1.089 251 L CA 1.809 56.674 54.840 0.042 0.000 0.757 251 L CB -0.932 41.013 42.059 -0.189 0.000 0.899 251 L HN 0.507 nan 8.230 nan 0.000 0.434 252 T N -5.097 109.557 114.554 0.168 0.000 3.269 252 T HA 0.193 4.546 4.350 0.006 0.000 0.269 252 T C 1.210 176.092 174.700 0.303 0.000 0.993 252 T CA -0.560 61.712 62.100 0.286 0.000 0.909 252 T CB 0.498 69.480 68.868 0.191 0.000 1.115 252 T HN -0.005 nan 8.240 nan 0.000 0.543 253 K N 0.784 121.348 120.400 0.273 0.000 2.121 253 K HA 0.313 4.637 4.320 0.006 0.000 0.203 253 K C 0.430 177.218 176.600 0.314 0.000 1.041 253 K CA 0.546 57.007 56.287 0.290 0.000 0.969 253 K CB 0.293 32.939 32.500 0.243 0.000 0.799 253 K HN 0.308 nan 8.250 nan 0.000 0.456 254 V N 2.330 122.351 119.914 0.178 0.000 2.638 254 V HA 0.258 4.382 4.120 0.006 0.000 0.306 254 V C -0.480 175.461 176.094 -0.255 0.000 1.052 254 V CA -0.894 61.426 62.300 0.034 0.000 0.885 254 V CB 2.526 34.402 31.823 0.089 0.000 0.999 254 V HN 0.161 nan 8.190 nan 0.000 0.424 255 L N 6.160 127.015 121.223 -0.614 0.000 2.361 255 L HA 0.315 4.659 4.340 0.006 0.000 0.278 255 L C -0.396 176.296 176.870 -0.295 0.000 1.113 255 L CA 0.060 54.341 54.840 -0.931 0.000 0.849 255 L CB -0.116 41.323 42.059 -1.034 0.000 1.155 255 L HN 0.923 nan 8.230 nan 0.000 0.452 256 Y N 3.108 123.325 120.300 -0.138 0.000 3.234 256 Y HA -0.184 4.370 4.550 0.006 0.000 0.207 256 Y C -1.801 174.101 175.900 0.003 0.000 1.316 256 Y CA -0.285 57.796 58.100 -0.031 0.000 1.309 256 Y CB -2.354 36.108 38.460 0.003 0.000 1.408 256 Y HN 0.558 nan 8.280 nan 0.000 0.544 257 P HA -0.045 nan 4.420 nan 0.000 0.274 257 P C 0.485 177.844 177.300 0.099 0.000 1.264 257 P CA -0.176 62.990 63.100 0.110 0.000 0.795 257 P CB 0.735 32.493 31.700 0.098 0.000 1.064 258 N N 1.130 119.883 118.700 0.089 0.000 2.497 258 N HA -0.027 4.717 4.740 0.006 0.000 0.268 258 N C 0.286 175.748 175.510 -0.081 0.000 1.171 258 N CA 0.241 53.325 53.050 0.056 0.000 0.948 258 N CB 0.184 38.763 38.487 0.154 0.000 1.069 258 N HN 0.379 nan 8.380 nan 0.000 0.460 259 D N 1.641 121.965 120.400 -0.126 0.000 2.503 259 D HA -0.075 4.569 4.640 0.006 0.000 0.218 259 D C 1.116 177.283 176.300 -0.222 0.000 1.183 259 D CA -0.239 53.633 54.000 -0.213 0.000 0.827 259 D CB -0.496 40.283 40.800 -0.036 0.000 1.034 259 D HN 0.632 nan 8.370 nan 0.000 0.510 260 N N 1.865 120.480 118.700 -0.140 0.000 2.137 260 N HA -0.202 4.542 4.740 0.006 0.000 0.190 260 N C 0.393 175.911 175.510 0.014 0.000 1.017 260 N CA 1.014 54.057 53.050 -0.011 0.000 0.859 260 N CB -0.678 37.869 38.487 0.100 0.000 1.002 260 N HN 0.440 nan 8.380 nan 0.000 0.428 261 H N -0.997 118.099 119.070 0.044 0.000 2.508 261 H HA 0.208 4.768 4.556 0.007 0.000 0.344 261 H C 1.241 176.604 175.328 0.058 0.000 1.192 261 H CA 0.277 56.352 56.048 0.044 0.000 1.290 261 H CB 0.599 30.383 29.762 0.038 0.000 1.571 261 H HN 0.046 nan 8.280 nan 0.000 0.555 262 T N -1.387 113.234 114.554 0.112 0.000 2.803 262 T HA -0.163 4.191 4.350 0.006 0.000 0.269 262 T C 2.109 176.857 174.700 0.081 0.000 1.052 262 T CA 1.154 63.302 62.100 0.080 0.000 1.136 262 T CB -0.630 68.291 68.868 0.088 0.000 0.864 262 T HN 0.665 nan 8.240 nan 0.000 0.467 263 A N 1.895 124.821 122.820 0.176 0.000 1.902 263 A HA 0.250 4.574 4.320 0.006 0.000 0.217 263 A C 2.762 180.397 177.584 0.084 0.000 1.181 263 A CA 1.629 53.778 52.037 0.186 0.000 0.623 263 A CB -1.595 17.589 19.000 0.306 0.000 0.818 263 A HN 0.615 nan 8.150 nan 0.000 0.443 264 G N -0.225 108.482 108.800 -0.154 0.000 2.422 264 G HA2 -0.191 3.773 3.960 0.006 0.000 0.218 264 G HA3 -0.191 3.773 3.960 0.006 0.000 0.218 264 G C 1.620 176.499 174.900 -0.036 0.000 1.146 264 G CA 1.044 46.021 45.100 -0.206 0.000 0.769 264 G HN 0.399 nan 8.290 nan 0.000 0.547 265 K N 0.761 121.157 120.400 -0.006 0.000 1.991 265 K HA -0.098 4.226 4.320 0.006 0.000 0.212 265 K C 2.307 178.990 176.600 0.139 0.000 1.049 265 K CA 1.411 57.812 56.287 0.189 0.000 0.932 265 K CB -0.614 32.007 32.500 0.202 0.000 0.717 265 K HN 0.364 nan 8.250 nan 0.000 0.441 266 K N 0.897 121.331 120.400 0.057 0.000 2.103 266 K HA -0.172 4.152 4.320 0.006 0.000 0.207 266 K C 2.201 178.791 176.600 -0.018 0.000 1.048 266 K CA 1.003 57.281 56.287 -0.014 0.000 0.930 266 K CB -0.185 32.323 32.500 0.014 0.000 0.716 266 K HN -0.017 nan 8.250 nan 0.000 0.444 267 L N 1.780 123.023 121.223 0.034 0.000 1.976 267 L HA -0.189 4.155 4.340 0.006 0.000 0.209 267 L C 2.206 179.111 176.870 0.058 0.000 1.071 267 L CA 1.710 56.584 54.840 0.056 0.000 0.746 267 L CB -0.622 41.485 42.059 0.080 0.000 0.890 267 L HN 0.140 nan 8.230 nan 0.000 0.432 268 R N -0.545 120.007 120.500 0.087 0.000 2.096 268 R HA -0.191 4.153 4.340 0.006 0.000 0.240 268 R C 2.214 178.527 176.300 0.023 0.000 1.139 268 R CA 1.761 57.945 56.100 0.139 0.000 0.952 268 R CB -1.329 29.152 30.300 0.303 0.000 0.854 268 R HN 0.369 nan 8.270 nan 0.000 0.436 269 L N 0.982 122.061 121.223 -0.239 0.000 2.046 269 L HA -0.101 4.243 4.340 0.006 0.000 0.208 269 L C 2.335 179.088 176.870 -0.196 0.000 1.077 269 L CA 1.623 56.132 54.840 -0.551 0.000 0.747 269 L CB -0.367 41.094 42.059 -0.997 0.000 0.896 269 L HN 0.127 nan 8.230 nan 0.000 0.432 270 M N -1.486 118.074 119.600 -0.066 0.000 2.132 270 M HA -0.241 4.243 4.480 0.006 0.000 0.263 270 M C 2.262 178.652 176.300 0.150 0.000 1.065 270 M CA 1.713 57.055 55.300 0.070 0.000 1.122 270 M CB -0.450 32.198 32.600 0.080 0.000 1.365 270 M HN 0.339 nan 8.290 nan 0.000 0.411 271 Q N 0.188 120.072 119.800 0.140 0.000 2.077 271 Q HA -0.250 4.094 4.340 0.006 0.000 0.206 271 Q C 2.054 178.186 176.000 0.220 0.000 0.989 271 Q CA 1.751 57.691 55.803 0.228 0.000 0.853 271 Q CB -0.292 28.576 28.738 0.215 0.000 0.907 271 Q HN 0.598 nan 8.270 nan 0.000 0.418 272 Q N -0.374 119.511 119.800 0.141 0.000 2.014 272 Q HA -0.246 4.098 4.340 0.006 0.000 0.207 272 Q C 2.018 178.081 176.000 0.105 0.000 0.993 272 Q CA 1.814 57.690 55.803 0.121 0.000 0.850 272 Q CB -0.460 28.340 28.738 0.103 0.000 0.916 272 Q HN 0.418 nan 8.270 nan 0.000 0.417 273 Y N 0.885 121.174 120.300 -0.019 0.000 2.165 273 Y HA -0.289 4.265 4.550 0.006 0.000 0.286 273 Y C 1.985 177.896 175.900 0.019 0.000 1.155 273 Y CA 1.367 59.440 58.100 -0.045 0.000 1.164 273 Y CB -0.517 37.877 38.460 -0.110 0.000 0.978 273 Y HN 0.146 nan 8.280 nan 0.000 0.513 274 F N 1.365 121.140 119.950 -0.293 0.000 2.026 274 F HA -0.254 4.277 4.527 0.006 0.000 0.296 274 F C 2.677 178.236 175.800 -0.402 0.000 1.133 274 F CA 2.514 60.291 58.000 -0.372 0.000 1.188 274 F CB -1.274 37.644 39.000 -0.137 0.000 0.968 274 F HN 0.249 nan 8.300 nan 0.000 0.476 275 Q N -0.267 119.284 119.800 -0.414 0.000 2.112 275 Q HA -0.253 4.091 4.340 0.006 0.000 0.206 275 Q C 2.307 178.049 176.000 -0.429 0.000 0.987 275 Q CA 2.613 58.155 55.803 -0.436 0.000 0.858 275 Q CB -0.621 28.118 28.738 0.002 0.000 0.905 275 Q HN 0.586 nan 8.270 nan 0.000 0.420 276 C N -0.126 119.004 119.300 -0.284 0.000 2.457 276 C HA 0.085 4.549 4.460 0.006 0.000 0.278 276 C C 2.850 177.653 174.990 -0.311 0.000 1.309 276 C CA 0.538 59.433 59.018 -0.205 0.000 1.735 276 C CB -1.185 26.526 27.740 -0.048 0.000 1.992 276 C HN 0.712 nan 8.230 nan 0.000 0.493 277 A N -0.643 121.865 122.820 -0.520 0.000 1.933 277 A HA -0.197 4.127 4.320 0.006 0.000 0.218 277 A C 2.112 179.400 177.584 -0.495 0.000 1.175 277 A CA 2.206 53.948 52.037 -0.492 0.000 0.628 277 A CB -0.985 17.523 19.000 -0.820 0.000 0.814 277 A HN 0.667 nan 8.150 nan 0.000 0.444 278 C N -0.875 117.924 119.300 -0.836 0.000 2.476 278 C HA -0.026 4.438 4.460 0.006 0.000 0.278 278 C C 3.261 177.827 174.990 -0.706 0.000 1.274 278 C CA 1.164 59.465 59.018 -1.194 0.000 1.713 278 C CB -1.174 25.004 27.740 -2.604 0.000 2.039 278 C HN 0.619 nan 8.230 nan 0.000 0.484 279 S N 1.030 116.433 115.700 -0.495 0.000 2.359 279 S HA -0.160 4.314 4.470 0.006 0.000 0.224 279 S C 1.916 176.376 174.600 -0.234 0.000 1.035 279 S CA 1.628 59.682 58.200 -0.243 0.000 1.018 279 S CB -0.525 62.432 63.200 -0.404 0.000 0.876 279 S HN 0.468 nan 8.310 nan 0.000 0.448 280 V N 2.267 122.075 119.914 -0.178 0.000 2.255 280 V HA -0.267 3.856 4.120 0.006 0.000 0.247 280 V C 2.731 178.794 176.094 -0.052 0.000 1.051 280 V CA 1.854 64.104 62.300 -0.083 0.000 1.018 280 V CB -1.366 30.447 31.823 -0.016 0.000 0.641 280 V HN 0.561 nan 8.190 nan 0.000 0.445 281 A N -0.103 122.680 122.820 -0.061 0.000 1.892 281 A HA -0.346 3.978 4.320 0.006 0.000 0.218 281 A C 2.075 179.691 177.584 0.054 0.000 1.188 281 A CA 2.477 54.506 52.037 -0.013 0.000 0.631 281 A CB -0.809 18.156 19.000 -0.058 0.000 0.822 281 A HN 0.604 nan 8.150 nan 0.000 0.447 282 D N -0.247 120.225 120.400 0.120 0.000 2.084 282 D HA -0.117 4.527 4.640 0.006 0.000 0.194 282 D C 1.800 178.207 176.300 0.178 0.000 0.990 282 D CA 1.443 55.593 54.000 0.249 0.000 0.826 282 D CB -0.289 40.839 40.800 0.546 0.000 0.971 282 D HN 0.471 nan 8.370 nan 0.000 0.453 283 I N 0.233 120.875 120.570 0.120 0.000 2.151 283 I HA -0.295 3.878 4.170 0.006 0.000 0.243 283 I C 2.487 178.645 176.117 0.069 0.000 1.080 283 I CA 0.841 62.199 61.300 0.096 0.000 1.339 283 I CB -0.289 37.715 38.000 0.006 0.000 1.039 283 I HN 0.121 nan 8.210 nan 0.000 0.409 284 L N 0.070 121.315 121.223 0.037 0.000 2.131 284 L HA -0.219 4.125 4.340 0.006 0.000 0.210 284 L C 2.747 179.683 176.870 0.110 0.000 1.092 284 L CA 1.166 56.031 54.840 0.043 0.000 0.759 284 L CB -0.575 41.480 42.059 -0.006 0.000 0.903 284 L HN 0.263 nan 8.230 nan 0.000 0.435 285 R N 0.458 121.023 120.500 0.109 0.000 2.070 285 R HA -0.206 4.138 4.340 0.006 0.000 0.233 285 R C 2.522 178.893 176.300 0.118 0.000 1.137 285 R CA 1.562 57.741 56.100 0.131 0.000 0.945 285 R CB -0.205 30.165 30.300 0.117 0.000 0.845 285 R HN 0.181 nan 8.270 nan 0.000 0.430 286 R N -0.635 119.915 120.500 0.082 0.000 2.097 286 R HA -0.264 4.080 4.340 0.006 0.000 0.236 286 R C 2.289 178.598 176.300 0.015 0.000 1.135 286 R CA 2.376 58.488 56.100 0.019 0.000 0.934 286 R CB -0.653 29.637 30.300 -0.016 0.000 0.846 286 R HN 0.421 nan 8.270 nan 0.000 0.431 287 H N -0.584 118.456 119.070 -0.050 0.000 2.422 287 H HA -0.186 4.374 4.556 0.006 0.000 0.298 287 H C 2.086 177.382 175.328 -0.054 0.000 1.098 287 H CA 2.326 58.326 56.048 -0.081 0.000 1.315 287 H CB -0.219 29.513 29.762 -0.050 0.000 1.382 287 H HN 0.410 nan 8.280 nan 0.000 0.523 288 H N -0.595 118.444 119.070 -0.051 0.000 2.384 288 H HA -0.048 4.512 4.556 0.006 0.000 0.300 288 H C 1.947 177.209 175.328 -0.111 0.000 1.057 288 H CA 0.877 56.871 56.048 -0.090 0.000 1.370 288 H CB 0.120 29.880 29.762 -0.004 0.000 1.417 288 H HN 0.297 nan 8.280 nan 0.000 0.527 289 L N 1.154 122.250 121.223 -0.212 0.000 2.191 289 L HA -0.075 4.269 4.340 0.006 0.000 0.212 289 L C 2.744 179.462 176.870 -0.253 0.000 1.103 289 L CA 1.335 56.018 54.840 -0.262 0.000 0.769 289 L CB -1.359 40.628 42.059 -0.120 0.000 0.908 289 L HN 0.336 nan 8.230 nan 0.000 0.438 290 A N -0.646 122.028 122.820 -0.243 0.000 2.121 290 A HA 0.108 4.432 4.320 0.006 0.000 0.218 290 A C 1.677 179.079 177.584 -0.303 0.000 1.154 290 A CA 1.017 52.895 52.037 -0.266 0.000 0.679 290 A CB -0.538 18.274 19.000 -0.313 0.000 0.795 290 A HN 0.553 nan 8.150 nan 0.000 0.458 291 G N -0.807 107.794 108.800 -0.332 0.000 2.212 291 G HA2 -0.243 3.721 3.960 0.006 0.000 0.255 291 G HA3 -0.243 3.721 3.960 0.006 0.000 0.255 291 G C 0.006 174.736 174.900 -0.283 0.000 1.062 291 G CA 0.295 45.226 45.100 -0.282 0.000 0.815 291 G HN 0.728 nan 8.290 nan 0.000 0.497 292 R N -0.149 120.093 120.500 -0.429 0.000 2.664 292 R HA 0.561 4.905 4.340 0.006 0.000 0.286 292 R C 0.374 176.510 176.300 -0.274 0.000 0.967 292 R CA -0.874 54.941 56.100 -0.474 0.000 0.933 292 R CB 1.560 31.278 30.300 -0.971 0.000 1.146 292 R HN 0.402 nan 8.270 nan 0.000 0.468 293 E N 2.293 122.467 120.200 -0.044 0.000 2.437 293 E HA -0.106 4.248 4.350 0.006 0.000 0.263 293 E C 0.291 177.024 176.600 0.221 0.000 1.030 293 E CA -0.029 56.434 56.400 0.105 0.000 0.934 293 E CB 0.762 30.558 29.700 0.160 0.000 0.943 293 E HN 0.546 nan 8.360 nan 0.000 0.444 294 L N 3.733 125.044 121.223 0.146 0.000 2.156 294 L HA -0.151 4.193 4.340 0.006 0.000 0.208 294 L C 1.816 178.674 176.870 -0.020 0.000 1.095 294 L CA 1.114 55.988 54.840 0.057 0.000 0.770 294 L CB -0.219 41.739 42.059 -0.168 0.000 0.914 294 L HN 0.740 nan 8.230 nan 0.000 0.439 295 H N -0.303 118.813 119.070 0.077 0.000 2.489 295 H HA -0.176 4.384 4.556 0.007 0.000 0.293 295 H C 1.498 176.865 175.328 0.064 0.000 1.066 295 H CA 1.483 57.559 56.048 0.048 0.000 1.305 295 H CB 0.174 29.966 29.762 0.050 0.000 1.386 295 H HN 0.521 nan 8.280 nan 0.000 0.551 296 E N 0.900 121.253 120.200 0.255 0.000 2.419 296 E HA 0.024 4.378 4.350 0.006 0.000 0.190 296 E C 1.558 178.341 176.600 0.305 0.000 1.040 296 E CA -0.128 56.427 56.400 0.258 0.000 0.900 296 E CB -0.031 29.872 29.700 0.339 0.000 1.054 296 E HN 0.457 nan 8.360 nan 0.000 0.462 297 L N 1.066 122.340 121.223 0.085 0.000 1.990 297 L HA -0.268 4.076 4.340 0.006 0.000 0.213 297 L C 2.476 179.264 176.870 -0.137 0.000 1.072 297 L CA 2.009 56.647 54.840 -0.337 0.000 0.755 297 L CB -0.414 41.384 42.059 -0.435 0.000 0.889 297 L HN 0.358 nan 8.230 nan 0.000 0.432 298 A N -0.421 122.330 122.820 -0.115 0.000 2.032 298 A HA -0.267 4.056 4.320 0.006 0.000 0.221 298 A C 1.765 179.271 177.584 -0.130 0.000 1.165 298 A CA 2.056 54.016 52.037 -0.127 0.000 0.645 298 A CB -0.662 18.256 19.000 -0.136 0.000 0.807 298 A HN 0.624 nan 8.150 nan 0.000 0.453 299 D N -1.936 118.372 120.400 -0.153 0.000 2.269 299 D HA -0.060 4.584 4.640 0.006 0.000 0.208 299 D C 0.879 176.900 176.300 -0.466 0.000 0.963 299 D CA 1.129 54.916 54.000 -0.354 0.000 0.864 299 D CB -0.145 40.336 40.800 -0.532 0.000 0.936 299 D HN 0.724 nan 8.370 nan 0.000 0.505 300 Y N 0.006 120.324 120.300 0.030 0.000 2.430 300 Y HA 0.241 4.794 4.550 0.006 0.000 0.248 300 Y C 0.643 176.575 175.900 0.053 0.000 1.108 300 Y CA -0.151 57.993 58.100 0.073 0.000 1.264 300 Y CB 0.907 39.477 38.460 0.184 0.000 1.172 300 Y HN -0.281 nan 8.280 nan 0.000 0.520 301 E N 0.861 121.120 120.200 0.098 0.000 2.293 301 E HA 0.610 4.964 4.350 0.006 0.000 0.270 301 E C -1.274 175.324 176.600 -0.003 0.000 0.879 301 E CA -0.732 55.701 56.400 0.055 0.000 0.756 301 E CB 3.186 32.878 29.700 -0.014 0.000 1.208 301 E HN -0.160 nan 8.360 nan 0.000 0.428 302 V N 0.805 120.724 119.914 0.010 0.000 2.709 302 V HA 0.560 4.684 4.120 0.006 0.000 0.308 302 V C -0.009 176.087 176.094 0.004 0.000 1.062 302 V CA -0.832 61.507 62.300 0.064 0.000 0.901 302 V CB 1.838 33.758 31.823 0.161 0.000 1.003 302 V HN 0.560 nan 8.190 nan 0.000 0.425 303 I N 3.116 123.689 120.570 0.005 0.000 2.390 303 I HA 0.371 4.545 4.170 0.006 0.000 0.283 303 I C -0.400 175.806 176.117 0.149 0.000 1.016 303 I CA -0.494 60.820 61.300 0.024 0.000 1.151 303 I CB 1.779 39.718 38.000 -0.102 0.000 1.293 303 I HN 0.654 nan 8.210 nan 0.000 0.458 304 Q N 6.746 126.647 119.800 0.168 0.000 2.323 304 Q HA 0.326 4.670 4.340 0.006 0.000 0.257 304 Q C -0.836 175.212 176.000 0.081 0.000 1.022 304 Q CA 0.083 56.010 55.803 0.207 0.000 0.919 304 Q CB 0.725 29.679 28.738 0.359 0.000 1.220 304 Q HN 0.586 nan 8.270 nan 0.000 0.427 305 L N 4.352 125.653 121.223 0.130 0.000 2.375 305 L HA 0.240 4.583 4.340 0.006 0.000 0.276 305 L C 0.344 177.283 176.870 0.116 0.000 1.162 305 L CA -0.490 54.427 54.840 0.128 0.000 0.991 305 L CB -0.008 42.149 42.059 0.164 0.000 1.315 305 L HN 0.567 nan 8.230 nan 0.000 0.431 306 N N 4.051 122.744 118.700 -0.012 0.000 2.400 306 N HA -0.005 4.738 4.740 0.006 0.000 0.267 306 N C -0.182 175.363 175.510 0.057 0.000 1.208 306 N CA 0.635 53.675 53.050 -0.017 0.000 0.951 306 N CB -0.025 38.308 38.487 -0.257 0.000 1.227 306 N HN 0.527 nan 8.380 nan 0.000 0.488 307 D N -0.179 120.324 120.400 0.172 0.000 10.186 307 D HA -0.194 4.449 4.640 0.006 0.000 0.355 307 D C 0.361 176.836 176.300 0.291 0.000 3.006 307 D CA 1.352 55.476 54.000 0.208 0.000 2.406 307 D CB -0.322 40.408 40.800 -0.117 0.000 1.188 307 D HN 0.573 nan 8.370 nan 0.000 1.028 308 T N -2.210 112.434 114.554 0.149 0.000 3.284 308 T HA 0.083 4.436 4.350 0.006 0.000 0.252 308 T C 1.416 176.201 174.700 0.142 0.000 1.144 308 T CA 1.328 63.465 62.100 0.062 0.000 1.021 308 T CB -0.432 68.446 68.868 0.016 0.000 0.984 308 T HN 0.475 nan 8.240 nan 0.000 0.545 309 H N 2.007 121.195 119.070 0.197 0.000 2.317 309 H HA 0.081 4.641 4.556 0.007 0.000 0.304 309 H C -0.756 174.669 175.328 0.161 0.000 1.067 309 H CA 0.425 56.601 56.048 0.213 0.000 1.352 309 H CB -0.736 29.160 29.762 0.224 0.000 1.398 309 H HN 0.372 nan 8.280 nan 0.000 0.510 310 P HA 0.012 nan 4.420 nan 0.000 0.249 310 P C 0.733 178.065 177.300 0.053 0.000 1.241 310 P CA 0.709 63.897 63.100 0.147 0.000 0.781 310 P CB 0.106 31.889 31.700 0.137 0.000 1.088 311 T N 0.194 114.777 114.554 0.047 0.000 2.685 311 T HA -0.229 4.125 4.350 0.006 0.000 0.268 311 T C 1.573 176.222 174.700 -0.086 0.000 1.034 311 T CA 1.229 63.292 62.100 -0.060 0.000 1.149 311 T CB -0.852 68.006 68.868 -0.018 0.000 0.860 311 T HN 0.105 nan 8.240 nan 0.000 0.449 312 I N 1.388 121.961 120.570 0.004 0.000 2.657 312 I HA -0.058 4.116 4.170 0.006 0.000 0.261 312 I C 2.308 178.442 176.117 0.029 0.000 1.212 312 I CA 0.279 61.588 61.300 0.015 0.000 1.453 312 I CB -0.527 37.491 38.000 0.029 0.000 1.092 312 I HN 0.205 nan 8.210 nan 0.000 0.452 313 A N 0.132 122.935 122.820 -0.028 0.000 2.015 313 A HA -0.122 4.202 4.320 0.006 0.000 0.219 313 A C 2.267 179.774 177.584 -0.128 0.000 1.163 313 A CA 1.401 53.436 52.037 -0.003 0.000 0.646 313 A CB -0.706 18.324 19.000 0.050 0.000 0.806 313 A HN 0.472 nan 8.150 nan 0.000 0.448 314 I N 0.621 120.900 120.570 -0.485 0.000 2.076 314 I HA -0.175 3.999 4.170 0.006 0.000 0.237 314 I C -0.189 175.840 176.117 -0.146 0.000 1.059 314 I CA 1.787 62.670 61.300 -0.694 0.000 1.317 314 I CB -1.361 36.220 38.000 -0.698 0.000 1.037 314 I HN 0.241 nan 8.210 nan 0.000 0.398 315 P HA -0.199 nan 4.420 nan 0.000 0.218 315 P C 1.364 178.722 177.300 0.096 0.000 1.148 315 P CA 1.536 64.686 63.100 0.083 0.000 0.822 315 P CB -0.153 31.633 31.700 0.143 0.000 0.784 316 E N -0.031 120.281 120.200 0.187 0.000 2.097 316 E HA -0.182 4.172 4.350 0.006 0.000 0.196 316 E C 1.979 178.670 176.600 0.151 0.000 1.000 316 E CA 0.905 57.458 56.400 0.254 0.000 0.804 316 E CB -0.835 29.062 29.700 0.328 0.000 0.740 316 E HN 0.158 nan 8.360 nan 0.000 0.454 317 L N 0.537 121.850 121.223 0.150 0.000 2.141 317 L HA -0.093 4.251 4.340 0.006 0.000 0.209 317 L C 2.257 179.154 176.870 0.046 0.000 1.094 317 L CA 1.196 56.105 54.840 0.114 0.000 0.763 317 L CB -0.428 41.747 42.059 0.194 0.000 0.908 317 L HN 0.082 nan 8.230 nan 0.000 0.437 318 L N -0.744 120.498 121.223 0.032 0.000 2.046 318 L HA -0.190 4.154 4.340 0.006 0.000 0.208 318 L C 2.801 179.678 176.870 0.011 0.000 1.077 318 L CA 1.514 56.339 54.840 -0.026 0.000 0.747 318 L CB -0.569 41.456 42.059 -0.055 0.000 0.896 318 L HN 0.277 nan 8.230 nan 0.000 0.432 319 R N 0.013 120.520 120.500 0.012 0.000 2.083 319 R HA -0.157 4.187 4.340 0.006 0.000 0.237 319 R C 2.207 178.555 176.300 0.080 0.000 1.137 319 R CA 1.724 57.831 56.100 0.012 0.000 0.951 319 R CB -0.215 30.019 30.300 -0.110 0.000 0.851 319 R HN 0.166 nan 8.270 nan 0.000 0.434 320 V N 1.170 121.144 119.914 0.100 0.000 2.343 320 V HA -0.250 3.874 4.120 0.006 0.000 0.247 320 V C 2.277 178.515 176.094 0.239 0.000 1.051 320 V CA 1.409 63.809 62.300 0.166 0.000 1.036 320 V CB -0.446 31.461 31.823 0.139 0.000 0.654 320 V HN 0.247 nan 8.190 nan 0.000 0.451 321 L N -0.804 120.478 121.223 0.099 0.000 2.027 321 L HA -0.063 4.281 4.340 0.006 0.000 0.206 321 L C 2.117 179.062 176.870 0.124 0.000 1.074 321 L CA 1.828 56.704 54.840 0.060 0.000 0.745 321 L CB -0.547 41.473 42.059 -0.064 0.000 0.898 321 L HN 0.206 nan 8.230 nan 0.000 0.433 322 I N -0.864 119.766 120.570 0.100 0.000 2.110 322 I HA -0.249 3.924 4.170 0.006 0.000 0.236 322 I C 2.024 178.214 176.117 0.121 0.000 1.068 322 I CA 1.279 62.652 61.300 0.122 0.000 1.333 322 I CB -0.384 37.703 38.000 0.146 0.000 1.054 322 I HN 0.203 nan 8.210 nan 0.000 0.402 323 D N 0.630 121.099 120.400 0.115 0.000 2.103 323 D HA -0.135 4.509 4.640 0.006 0.000 0.199 323 D C 1.996 178.340 176.300 0.074 0.000 0.978 323 D CA 1.275 55.336 54.000 0.101 0.000 0.829 323 D CB -0.151 40.718 40.800 0.114 0.000 0.981 323 D HN 0.376 nan 8.370 nan 0.000 0.464 324 E N -1.045 119.201 120.200 0.077 0.000 2.474 324 E HA 0.011 4.364 4.350 0.006 0.000 0.194 324 E C 0.524 176.987 176.600 -0.229 0.000 1.041 324 E CA 0.308 56.688 56.400 -0.035 0.000 0.874 324 E CB 0.300 29.993 29.700 -0.011 0.000 0.914 324 E HN 0.388 nan 8.360 nan 0.000 0.498 325 H N -0.550 118.529 119.070 0.015 0.000 3.078 325 H HA 0.136 4.696 4.556 0.006 0.000 0.263 325 H C -0.612 174.730 175.328 0.022 0.000 1.177 325 H CA -0.226 55.823 56.048 0.002 0.000 1.128 325 H CB 0.704 30.449 29.762 -0.029 0.000 1.623 325 H HN -0.115 nan 8.280 nan 0.000 0.592 326 Q N -0.341 119.526 119.800 0.111 0.000 2.452 326 Q HA -0.214 4.130 4.340 0.006 0.000 0.318 326 Q C -0.550 175.525 176.000 0.125 0.000 1.386 326 Q CA 0.763 56.627 55.803 0.102 0.000 0.872 326 Q CB -1.552 27.232 28.738 0.076 0.000 1.151 326 Q HN 0.568 nan 8.270 nan 0.000 0.417 327 M N -0.310 119.369 119.600 0.132 0.000 2.528 327 M HA 0.440 4.924 4.480 0.006 0.000 0.318 327 M C -0.267 176.126 176.300 0.154 0.000 1.195 327 M CA -0.442 54.942 55.300 0.140 0.000 1.000 327 M CB 1.409 34.063 32.600 0.090 0.000 1.615 327 M HN 0.190 nan 8.290 nan 0.000 0.469 328 S N 2.719 118.524 115.700 0.174 0.000 2.565 328 S HA 0.000 4.474 4.470 0.006 0.000 0.276 328 S C 0.718 175.458 174.600 0.234 0.000 1.326 328 S CA -0.627 57.692 58.200 0.197 0.000 1.045 328 S CB 0.691 64.000 63.200 0.181 0.000 0.918 328 S HN 0.937 nan 8.310 nan 0.000 0.505 329 W N 3.791 125.161 121.300 0.118 0.000 2.304 329 W HA -0.257 4.406 4.660 0.006 0.000 0.315 329 W C 0.668 177.304 176.519 0.195 0.000 1.233 329 W CA 2.113 59.541 57.345 0.137 0.000 1.261 329 W CB -0.460 29.052 29.460 0.087 0.000 1.150 329 W HN 0.734 nan 8.180 nan 0.000 0.494 330 D N 0.210 120.834 120.400 0.372 0.000 2.219 330 D HA -0.166 4.478 4.640 0.006 0.000 0.205 330 D C 1.408 177.831 176.300 0.205 0.000 0.970 330 D CA 1.741 55.923 54.000 0.304 0.000 0.851 330 D CB -0.426 40.556 40.800 0.304 0.000 0.943 330 D HN 0.223 nan 8.370 nan 0.000 0.488 331 D N 0.679 121.182 120.400 0.171 0.000 2.123 331 D HA -0.036 4.608 4.640 0.006 0.000 0.200 331 D C 2.088 178.445 176.300 0.096 0.000 0.976 331 D CA 1.010 55.112 54.000 0.170 0.000 0.831 331 D CB -0.179 40.763 40.800 0.235 0.000 0.974 331 D HN 0.091 nan 8.370 nan 0.000 0.469 332 A N 0.379 123.210 122.820 0.017 0.000 1.898 332 A HA -0.165 4.159 4.320 0.006 0.000 0.216 332 A C 2.083 179.593 177.584 -0.124 0.000 1.181 332 A CA 0.917 52.903 52.037 -0.085 0.000 0.620 332 A CB -1.140 17.778 19.000 -0.137 0.000 0.819 332 A HN 0.449 nan 8.150 nan 0.000 0.442 333 W N 0.711 121.794 121.300 -0.363 0.000 2.363 333 W HA -0.121 4.543 4.660 0.006 0.000 0.296 333 W C 2.087 178.547 176.519 -0.098 0.000 1.212 333 W CA 1.472 58.635 57.345 -0.304 0.000 1.260 333 W CB -0.096 29.167 29.460 -0.328 0.000 1.131 333 W HN 0.418 nan 8.180 nan 0.000 0.530 334 A N 0.091 122.940 122.820 0.047 0.000 2.259 334 A HA -0.068 4.256 4.320 0.006 0.000 0.212 334 A C 1.676 179.218 177.584 -0.070 0.000 1.178 334 A CA 1.343 53.392 52.037 0.021 0.000 0.734 334 A CB -0.530 18.530 19.000 0.101 0.000 0.774 334 A HN 0.391 nan 8.150 nan 0.000 0.481 335 I N -1.894 118.591 120.570 -0.142 0.000 3.518 335 I HA -0.069 4.105 4.170 0.006 0.000 0.260 335 I C 2.666 178.645 176.117 -0.229 0.000 1.148 335 I CA 1.041 62.247 61.300 -0.158 0.000 1.440 335 I CB -0.770 37.141 38.000 -0.148 0.000 1.485 335 I HN 0.352 nan 8.210 nan 0.000 0.456 336 T N 0.209 114.604 114.554 -0.265 0.000 2.620 336 T HA -0.276 4.078 4.350 0.006 0.000 0.267 336 T C 2.031 176.612 174.700 -0.200 0.000 1.044 336 T CA 2.240 64.225 62.100 -0.192 0.000 1.161 336 T CB -1.117 67.633 68.868 -0.197 0.000 0.862 336 T HN 0.444 nan 8.240 nan 0.000 0.438 337 S N 1.686 117.075 115.700 -0.519 0.000 2.383 337 S HA -0.072 4.402 4.470 0.006 0.000 0.229 337 S C 1.985 176.568 174.600 -0.028 0.000 1.030 337 S CA 1.058 59.007 58.200 -0.420 0.000 1.002 337 S CB -0.502 62.323 63.200 -0.624 0.000 0.829 337 S HN 0.601 nan 8.310 nan 0.000 0.467 338 K N 0.357 120.727 120.400 -0.051 0.000 2.444 338 K HA 0.187 4.511 4.320 0.006 0.000 0.193 338 K C 0.893 177.523 176.600 0.050 0.000 1.024 338 K CA 0.673 56.954 56.287 -0.010 0.000 1.077 338 K CB 0.137 32.561 32.500 -0.127 0.000 0.833 338 K HN 0.445 nan 8.250 nan 0.000 0.517 339 T N -0.394 114.208 114.554 0.079 0.000 3.026 339 T HA 0.172 4.526 4.350 0.006 0.000 0.245 339 T C 0.096 174.778 174.700 -0.031 0.000 1.004 339 T CA 0.054 62.122 62.100 -0.053 0.000 1.069 339 T CB 0.160 68.775 68.868 -0.422 0.000 1.005 339 T HN -0.111 nan 8.240 nan 0.000 0.472 340 F N 1.999 121.959 119.950 0.018 0.000 2.375 340 F HA 0.673 5.204 4.527 0.006 0.000 0.333 340 F C 0.472 175.899 175.800 -0.622 0.000 1.104 340 F CA -1.223 56.662 58.000 -0.192 0.000 1.149 340 F CB 0.735 39.610 39.000 -0.209 0.000 1.190 340 F HN 0.022 nan 8.300 nan 0.000 0.533 341 A N 2.643 125.310 122.820 -0.255 0.000 2.455 341 A HA 0.596 4.920 4.320 0.006 0.000 0.300 341 A C -2.054 175.486 177.584 -0.074 0.000 1.040 341 A CA -0.589 51.174 52.037 -0.457 0.000 0.697 341 A CB 0.848 19.582 19.000 -0.442 0.000 1.265 341 A HN 0.653 nan 8.150 nan 0.000 0.407 342 Y N 1.198 121.357 120.300 -0.235 0.000 2.534 342 Y HA 0.786 5.340 4.550 0.006 0.000 0.329 342 Y C -0.252 175.614 175.900 -0.058 0.000 1.154 342 Y CA -0.702 57.313 58.100 -0.141 0.000 1.192 342 Y CB 2.059 40.380 38.460 -0.231 0.000 1.275 342 Y HN 0.602 nan 8.280 nan 0.000 0.491 343 T N 4.777 118.865 114.554 -0.777 0.000 2.991 343 T HA 0.194 4.548 4.350 0.006 0.000 0.303 343 T C -1.377 172.848 174.700 -0.792 0.000 1.015 343 T CA -0.946 60.815 62.100 -0.565 0.000 1.007 343 T CB 0.732 69.577 68.868 -0.039 0.000 1.034 343 T HN 0.601 nan 8.240 nan 0.000 0.446 344 N N 1.525 119.904 118.700 -0.534 0.000 2.419 344 N HA 0.183 4.927 4.740 0.006 0.000 0.264 344 N C 0.543 176.109 175.510 0.093 0.000 1.031 344 N CA -0.097 52.888 53.050 -0.107 0.000 0.951 344 N CB 0.709 39.295 38.487 0.165 0.000 1.101 344 N HN 0.662 nan 8.380 nan 0.000 0.488 345 H N 1.421 120.539 119.070 0.080 0.000 2.439 345 H HA 0.049 4.609 4.556 0.007 0.000 0.299 345 H C 0.611 175.871 175.328 -0.114 0.000 1.033 345 H CA 1.466 57.520 56.048 0.011 0.000 1.348 345 H CB 0.949 30.718 29.762 0.012 0.000 1.449 345 H HN 0.689 nan 8.280 nan 0.000 0.544 346 T N -2.408 112.186 114.554 0.067 0.000 3.080 346 T HA 0.129 4.483 4.350 0.006 0.000 0.280 346 T C 0.814 175.493 174.700 -0.035 0.000 0.926 346 T CA -0.038 62.027 62.100 -0.058 0.000 0.883 346 T CB 0.519 69.384 68.868 -0.005 0.000 1.194 346 T HN 0.080 nan 8.240 nan 0.000 0.541 347 L N -0.021 121.266 121.223 0.107 0.000 5.081 347 L HA -0.100 4.244 4.340 0.006 0.000 0.423 347 L C -0.203 176.673 176.870 0.010 0.000 1.019 347 L CA 0.870 55.758 54.840 0.081 0.000 1.223 347 L CB -1.311 40.783 42.059 0.059 0.000 1.940 347 L HN 0.450 nan 8.230 nan 0.000 0.675 348 M N 1.173 120.774 119.600 0.002 0.000 2.185 348 M HA 0.241 4.725 4.480 0.006 0.000 0.357 348 M C -0.604 175.725 176.300 0.049 0.000 1.260 348 M CA -1.649 53.664 55.300 0.021 0.000 1.124 348 M CB 0.379 33.017 32.600 0.063 0.000 1.600 348 M HN -0.133 nan 8.290 nan 0.000 0.467 349 P HA -0.239 nan 4.420 nan 0.000 0.217 349 P C 0.809 178.108 177.300 -0.001 0.000 1.151 349 P CA 1.743 64.855 63.100 0.020 0.000 0.849 349 P CB -0.202 31.505 31.700 0.011 0.000 0.787 350 E N 0.640 120.845 120.200 0.008 0.000 2.209 350 E HA -0.143 4.211 4.350 0.006 0.000 0.196 350 E C 1.764 178.366 176.600 0.003 0.000 0.993 350 E CA 1.534 57.926 56.400 -0.014 0.000 0.819 350 E CB -0.960 28.736 29.700 -0.006 0.000 0.745 350 E HN 0.249 nan 8.360 nan 0.000 0.477 351 A N 0.934 123.764 122.820 0.017 0.000 2.275 351 A HA 0.191 4.515 4.320 0.006 0.000 0.212 351 A C 1.050 178.654 177.584 0.033 0.000 1.201 351 A CA -0.094 51.938 52.037 -0.008 0.000 0.843 351 A CB 0.266 19.278 19.000 0.021 0.000 0.873 351 A HN 0.118 nan 8.150 nan 0.000 0.492 352 L N 1.954 123.195 121.223 0.031 0.000 2.825 352 L HA 0.252 4.596 4.340 0.006 0.000 0.236 352 L C -0.285 176.557 176.870 -0.048 0.000 1.301 352 L CA 0.068 54.935 54.840 0.047 0.000 0.977 352 L CB -0.639 41.466 42.059 0.077 0.000 1.300 352 L HN 0.478 nan 8.230 nan 0.000 0.486 353 E N 2.211 122.352 120.200 -0.098 0.000 2.422 353 E HA 0.327 4.681 4.350 0.006 0.000 0.260 353 E C -0.004 176.377 176.600 -0.366 0.000 1.108 353 E CA -0.322 55.903 56.400 -0.292 0.000 0.943 353 E CB 0.694 30.213 29.700 -0.302 0.000 0.961 353 E HN 0.353 nan 8.360 nan 0.000 0.443 354 R N 0.702 120.819 120.500 -0.639 0.000 2.535 354 R HA 0.412 4.756 4.340 0.006 0.000 0.274 354 R C -1.890 174.008 176.300 -0.669 0.000 1.090 354 R CA -0.905 54.852 56.100 -0.571 0.000 0.930 354 R CB 0.695 30.654 30.300 -0.569 0.000 1.223 354 R HN 0.463 nan 8.270 nan 0.000 0.441 355 W N 1.758 122.968 121.300 -0.150 0.000 2.573 355 W HA 0.338 5.002 4.660 0.006 0.000 0.326 355 W C -0.630 175.827 176.519 -0.103 0.000 1.049 355 W CA -0.550 56.737 57.345 -0.096 0.000 1.220 355 W CB 1.566 30.991 29.460 -0.060 0.000 1.373 355 W HN 0.534 nan 8.180 nan 0.000 0.507 356 D N 1.511 121.998 120.400 0.145 0.000 2.450 356 D HA 0.021 4.665 4.640 0.006 0.000 0.247 356 D C 1.143 177.493 176.300 0.084 0.000 1.162 356 D CA 0.004 54.046 54.000 0.069 0.000 0.879 356 D CB 1.144 41.981 40.800 0.061 0.000 1.163 356 D HN 0.125 nan 8.370 nan 0.000 0.472 357 V N 3.137 123.084 119.914 0.054 0.000 2.277 357 V HA -0.387 3.737 4.120 0.006 0.000 0.253 357 V C 2.380 178.496 176.094 0.037 0.000 1.067 357 V CA 2.155 64.483 62.300 0.048 0.000 1.047 357 V CB -0.538 31.311 31.823 0.043 0.000 0.649 357 V HN 0.725 nan 8.190 nan 0.000 0.447 358 K N -0.565 119.857 120.400 0.037 0.000 2.127 358 K HA -0.240 4.084 4.320 0.006 0.000 0.208 358 K C 2.107 178.720 176.600 0.023 0.000 1.047 358 K CA 1.829 58.133 56.287 0.029 0.000 0.927 358 K CB -0.226 32.294 32.500 0.032 0.000 0.716 358 K HN 0.457 nan 8.250 nan 0.000 0.450 359 L N 0.034 121.278 121.223 0.035 0.000 1.950 359 L HA -0.178 4.166 4.340 0.006 0.000 0.210 359 L C 2.349 179.196 176.870 -0.038 0.000 1.079 359 L CA 1.536 56.386 54.840 0.017 0.000 0.754 359 L CB -0.553 41.546 42.059 0.067 0.000 0.889 359 L HN 0.194 nan 8.230 nan 0.000 0.433 360 V N -0.027 119.857 119.914 -0.051 0.000 2.380 360 V HA -0.354 3.770 4.120 0.006 0.000 0.251 360 V C 2.601 178.635 176.094 -0.100 0.000 1.063 360 V CA 2.476 64.704 62.300 -0.119 0.000 1.055 360 V CB -0.370 31.395 31.823 -0.097 0.000 0.657 360 V HN 0.550 nan 8.190 nan 0.000 0.455 361 K N 0.767 121.140 120.400 -0.046 0.000 2.009 361 K HA -0.069 4.255 4.320 0.006 0.000 0.210 361 K C 2.063 178.639 176.600 -0.040 0.000 1.049 361 K CA 2.325 58.589 56.287 -0.037 0.000 0.929 361 K CB -1.276 31.220 32.500 -0.006 0.000 0.714 361 K HN 0.534 nan 8.250 nan 0.000 0.440 362 G N 0.244 109.031 108.800 -0.022 0.000 2.394 362 G HA2 -0.164 3.800 3.960 0.006 0.000 0.215 362 G HA3 -0.164 3.800 3.960 0.006 0.000 0.215 362 G C 1.429 176.328 174.900 -0.000 0.000 1.165 362 G CA 0.744 45.844 45.100 -0.000 0.000 0.784 362 G HN 0.295 nan 8.290 nan 0.000 0.535 363 L N -0.278 120.919 121.223 -0.042 0.000 2.044 363 L HA 0.265 4.609 4.340 0.006 0.000 0.205 363 L C 0.505 177.313 176.870 -0.104 0.000 1.075 363 L CA 1.227 56.036 54.840 -0.052 0.000 0.747 363 L CB -0.041 41.953 42.059 -0.109 0.000 0.903 363 L HN -0.003 nan 8.230 nan 0.000 0.435 364 L N 0.448 121.528 121.223 -0.239 0.000 2.502 364 L HA 0.346 4.690 4.340 0.006 0.000 0.247 364 L C -1.717 174.946 176.870 -0.345 0.000 1.180 364 L CA -1.660 52.928 54.840 -0.421 0.000 0.956 364 L CB 0.023 41.615 42.059 -0.779 0.000 1.282 364 L HN -0.025 nan 8.230 nan 0.000 0.470 365 P HA -0.211 nan 4.420 nan 0.000 0.214 365 P C 1.747 178.834 177.300 -0.354 0.000 1.169 365 P CA 1.347 64.276 63.100 -0.285 0.000 0.908 365 P CB 0.402 31.986 31.700 -0.194 0.000 0.791 366 R N -1.038 119.059 120.500 -0.672 0.000 2.096 366 R HA -0.160 4.184 4.340 0.006 0.000 0.235 366 R C 2.386 178.482 176.300 -0.339 0.000 1.127 366 R CA 1.716 57.536 56.100 -0.467 0.000 0.968 366 R CB -1.409 28.551 30.300 -0.565 0.000 0.861 366 R HN 0.395 nan 8.270 nan 0.000 0.440 367 H N -0.777 118.043 119.070 -0.416 0.000 2.321 367 H HA -0.148 4.412 4.556 0.007 0.000 0.300 367 H C 1.945 177.194 175.328 -0.131 0.000 1.087 367 H CA 1.871 57.772 56.048 -0.244 0.000 1.319 367 H CB -0.225 29.347 29.762 -0.317 0.000 1.379 367 H HN 0.198 nan 8.280 nan 0.000 0.501 368 M N 1.587 121.174 119.600 -0.021 0.000 2.106 368 M HA -0.226 4.258 4.480 0.006 0.000 0.259 368 M C 2.202 178.509 176.300 0.011 0.000 1.068 368 M CA 1.644 56.940 55.300 -0.007 0.000 1.100 368 M CB -0.274 32.307 32.600 -0.030 0.000 1.351 368 M HN 0.195 nan 8.290 nan 0.000 0.404 369 Q N -0.551 119.240 119.800 -0.016 0.000 2.096 369 Q HA -0.175 4.168 4.340 0.006 0.000 0.204 369 Q C 2.121 178.145 176.000 0.039 0.000 0.982 369 Q CA 1.939 57.742 55.803 -0.000 0.000 0.850 369 Q CB -0.374 28.353 28.738 -0.017 0.000 0.901 369 Q HN 0.592 nan 8.270 nan 0.000 0.422 370 I N 0.279 120.896 120.570 0.078 0.000 2.286 370 I HA -0.233 3.941 4.170 0.006 0.000 0.245 370 I C 2.178 178.437 176.117 0.238 0.000 1.104 370 I CA 0.931 62.361 61.300 0.217 0.000 1.397 370 I CB -0.241 37.885 38.000 0.210 0.000 1.072 370 I HN 0.183 nan 8.210 nan 0.000 0.417 371 I N 1.000 121.668 120.570 0.163 0.000 2.264 371 I HA -0.297 3.877 4.170 0.006 0.000 0.248 371 I C 2.247 178.453 176.117 0.148 0.000 1.111 371 I CA 1.167 62.564 61.300 0.162 0.000 1.382 371 I CB -0.550 37.519 38.000 0.115 0.000 1.060 371 I HN 0.325 nan 8.210 nan 0.000 0.418 372 N N 0.729 119.491 118.700 0.103 0.000 2.080 372 N HA -0.217 4.526 4.740 0.006 0.000 0.189 372 N C 1.847 177.388 175.510 0.052 0.000 1.036 372 N CA 1.348 54.448 53.050 0.083 0.000 0.846 372 N CB -0.338 38.176 38.487 0.045 0.000 1.015 372 N HN 0.284 nan 8.380 nan 0.000 0.423 373 E N 1.156 121.334 120.200 -0.037 0.000 2.097 373 E HA -0.080 4.274 4.350 0.006 0.000 0.196 373 E C 1.968 178.488 176.600 -0.133 0.000 1.000 373 E CA 0.966 57.218 56.400 -0.247 0.000 0.804 373 E CB -0.295 29.013 29.700 -0.654 0.000 0.740 373 E HN 0.371 nan 8.360 nan 0.000 0.454 374 I N 0.429 121.067 120.570 0.114 0.000 2.361 374 I HA -0.239 3.935 4.170 0.006 0.000 0.251 374 I C 2.161 178.425 176.117 0.246 0.000 1.133 374 I CA 1.245 62.672 61.300 0.212 0.000 1.413 374 I CB -0.401 37.800 38.000 0.334 0.000 1.073 374 I HN 0.205 nan 8.210 nan 0.000 0.424 375 N N 0.614 119.466 118.700 0.253 0.000 2.216 375 N HA -0.162 4.581 4.740 0.006 0.000 0.183 375 N C 1.884 177.685 175.510 0.484 0.000 1.017 375 N CA 2.041 55.322 53.050 0.386 0.000 0.861 375 N CB -0.027 38.634 38.487 0.290 0.000 0.986 375 N HN 0.391 nan 8.380 nan 0.000 0.428 376 T N -2.601 112.105 114.554 0.253 0.000 2.937 376 T HA 0.073 4.427 4.350 0.006 0.000 0.260 376 T C 2.055 176.799 174.700 0.072 0.000 1.051 376 T CA 0.486 62.677 62.100 0.151 0.000 1.141 376 T CB -0.242 68.645 68.868 0.032 0.000 0.879 376 T HN -0.030 nan 8.240 nan 0.000 0.459 377 R N 0.250 120.772 120.500 0.037 0.000 2.105 377 R HA 0.066 4.410 4.340 0.006 0.000 0.239 377 R C 1.941 178.333 176.300 0.153 0.000 1.135 377 R CA 1.331 57.427 56.100 -0.007 0.000 0.967 377 R CB -1.009 29.221 30.300 -0.117 0.000 0.861 377 R HN 0.496 nan 8.270 nan 0.000 0.442 378 F N 1.110 121.144 119.950 0.140 0.000 2.259 378 F HA -0.003 4.528 4.527 0.007 0.000 0.298 378 F C 1.890 177.802 175.800 0.187 0.000 1.088 378 F CA 1.225 59.396 58.000 0.285 0.000 1.358 378 F CB -0.225 39.060 39.000 0.476 0.000 1.040 378 F HN -0.074 nan 8.300 nan 0.000 0.505 379 K N -0.234 120.105 120.400 -0.101 0.000 2.063 379 K HA -0.186 4.138 4.320 0.006 0.000 0.208 379 K C 1.936 178.198 176.600 -0.563 0.000 1.048 379 K CA 2.097 57.868 56.287 -0.859 0.000 0.928 379 K CB -0.405 31.697 32.500 -0.663 0.000 0.713 379 K HN 0.248 nan 8.250 nan 0.000 0.442 380 T N 1.948 116.340 114.554 -0.270 0.000 2.635 380 T HA -0.203 4.151 4.350 0.006 0.000 0.267 380 T C 1.677 176.278 174.700 -0.165 0.000 1.040 380 T CA 1.549 63.539 62.100 -0.183 0.000 1.156 380 T CB -0.299 68.518 68.868 -0.086 0.000 0.863 380 T HN 0.175 nan 8.240 nan 0.000 0.430 381 L N 1.192 122.353 121.223 -0.104 0.000 1.994 381 L HA -0.038 4.306 4.340 0.006 0.000 0.208 381 L C 2.512 179.284 176.870 -0.162 0.000 1.071 381 L CA 1.526 56.334 54.840 -0.052 0.000 0.745 381 L CB -0.877 41.285 42.059 0.171 0.000 0.892 381 L HN 0.093 nan 8.230 nan 0.000 0.431 382 V N -0.189 119.529 119.914 -0.326 0.000 2.332 382 V HA -0.310 3.814 4.120 0.006 0.000 0.248 382 V C 2.524 178.571 176.094 -0.078 0.000 1.055 382 V CA 2.121 64.326 62.300 -0.158 0.000 1.038 382 V CB -0.631 31.031 31.823 -0.267 0.000 0.651 382 V HN 0.520 nan 8.190 nan 0.000 0.450 383 E N -0.163 119.890 120.200 -0.245 0.000 2.047 383 E HA -0.246 4.108 4.350 0.006 0.000 0.191 383 E C 2.315 178.837 176.600 -0.130 0.000 0.987 383 E CA 1.205 57.494 56.400 -0.186 0.000 0.799 383 E CB -0.208 29.339 29.700 -0.255 0.000 0.752 383 E HN 0.485 nan 8.360 nan 0.000 0.449 384 K N 0.446 120.758 120.400 -0.147 0.000 2.152 384 K HA -0.158 4.166 4.320 0.006 0.000 0.206 384 K C 1.734 178.224 176.600 -0.182 0.000 1.048 384 K CA 1.586 57.792 56.287 -0.135 0.000 0.933 384 K CB 0.076 32.509 32.500 -0.112 0.000 0.721 384 K HN 0.072 nan 8.250 nan 0.000 0.447 385 T N -0.308 114.093 114.554 -0.254 0.000 2.837 385 T HA -0.029 4.325 4.350 0.006 0.000 0.242 385 T C 0.287 174.716 174.700 -0.451 0.000 1.044 385 T CA 0.589 62.385 62.100 -0.508 0.000 1.202 385 T CB -0.071 68.224 68.868 -0.955 0.000 0.905 385 T HN 0.253 nan 8.240 nan 0.000 0.413 386 W N 2.376 123.608 121.300 -0.113 0.000 2.253 386 W HA 0.329 4.993 4.660 0.007 0.000 0.348 386 W C -2.506 173.951 176.519 -0.104 0.000 0.920 386 W CA -2.397 54.891 57.345 -0.095 0.000 1.518 386 W CB -0.135 29.274 29.460 -0.086 0.000 1.446 386 W HN 0.362 nan 8.180 nan 0.000 0.361 387 P HA -0.117 nan 4.420 nan 0.000 0.226 387 P C 1.363 178.673 177.300 0.018 0.000 1.146 387 P CA 0.967 64.068 63.100 0.002 0.000 0.773 387 P CB 0.309 31.995 31.700 -0.024 0.000 0.772 388 G N 1.509 110.349 108.800 0.066 0.000 2.340 388 G HA2 0.092 4.056 3.960 0.006 0.000 0.245 388 G HA3 0.092 4.056 3.960 0.006 0.000 0.245 388 G C -0.108 174.804 174.900 0.020 0.000 1.294 388 G CA -0.390 44.736 45.100 0.042 0.000 0.896 388 G HN 0.131 nan 8.290 nan 0.000 0.522 389 D N 1.685 122.087 120.400 0.002 0.000 2.406 389 D HA -0.062 4.582 4.640 0.006 0.000 0.234 389 D C 0.960 177.266 176.300 0.009 0.000 1.196 389 D CA 0.166 54.167 54.000 0.001 0.000 0.881 389 D CB 0.486 41.285 40.800 -0.001 0.000 1.205 389 D HN 0.661 nan 8.370 nan 0.000 0.453 390 E N 0.702 120.926 120.200 0.039 0.000 3.630 390 E HA -0.523 3.830 4.350 0.006 0.000 0.441 390 E C 0.825 177.419 176.600 -0.009 0.000 1.645 390 E CA 2.585 59.016 56.400 0.050 0.000 1.596 390 E CB -0.233 29.477 29.700 0.017 0.000 1.453 390 E HN 0.574 nan 8.360 nan 0.000 0.400 391 K N -1.644 118.719 120.400 -0.063 0.000 7.912 391 K HA -0.332 3.992 4.320 0.006 0.000 0.411 391 K C 1.640 178.128 176.600 -0.186 0.000 0.571 391 K CA 2.933 59.148 56.287 -0.120 0.000 1.414 391 K CB -1.813 30.618 32.500 -0.114 0.000 0.802 391 K HN 0.331 nan 8.250 nan 0.000 1.004 392 V N -0.188 119.588 119.914 -0.229 0.000 2.255 392 V HA -0.273 3.851 4.120 0.006 0.000 0.247 392 V C 2.089 178.047 176.094 -0.226 0.000 1.051 392 V CA 2.385 64.466 62.300 -0.364 0.000 1.018 392 V CB -0.609 30.834 31.823 -0.633 0.000 0.641 392 V HN 0.522 nan 8.190 nan 0.000 0.445 393 W N 0.926 122.051 121.300 -0.291 0.000 2.335 393 W HA -0.221 4.443 4.660 0.007 0.000 0.311 393 W C 2.268 178.610 176.519 -0.294 0.000 1.213 393 W CA 1.402 58.609 57.345 -0.229 0.000 1.274 393 W CB -0.090 29.277 29.460 -0.155 0.000 1.148 393 W HN 0.292 nan 8.180 nan 0.000 0.498 394 A N 0.273 122.866 122.820 -0.379 0.000 2.248 394 A HA -0.158 4.166 4.320 0.006 0.000 0.210 394 A C 1.801 178.819 177.584 -0.943 0.000 1.174 394 A CA 1.737 53.378 52.037 -0.661 0.000 0.750 394 A CB -0.560 18.251 19.000 -0.316 0.000 0.780 394 A HN 0.448 nan 8.150 nan 0.000 0.478 395 K N -1.006 118.991 120.400 -0.673 0.000 2.325 395 K HA 0.307 4.631 4.320 0.006 0.000 0.203 395 K C 1.305 177.709 176.600 -0.326 0.000 1.128 395 K CA 0.115 56.118 56.287 -0.473 0.000 0.931 395 K CB 0.047 32.361 32.500 -0.309 0.000 1.125 395 K HN 0.366 nan 8.250 nan 0.000 0.487 396 L N 1.516 122.566 121.223 -0.289 0.000 2.509 396 L HA 0.274 4.618 4.340 0.006 0.000 0.222 396 L C 0.812 177.855 176.870 0.289 0.000 1.123 396 L CA -0.295 54.538 54.840 -0.011 0.000 0.856 396 L CB -0.035 42.023 42.059 -0.001 0.000 0.985 396 L HN 0.102 nan 8.230 nan 0.000 0.456 397 A N 0.258 122.881 122.820 -0.328 0.000 2.498 397 A HA 0.223 4.547 4.320 0.006 0.000 0.239 397 A C 1.341 178.975 177.584 0.085 0.000 1.068 397 A CA -0.187 51.522 52.037 -0.545 0.000 0.766 397 A CB 0.616 18.698 19.000 -1.530 0.000 1.003 397 A HN -0.020 nan 8.150 nan 0.000 0.497 398 V N 2.446 122.444 119.914 0.140 0.000 2.229 398 V HA -0.116 4.008 4.120 0.006 0.000 0.243 398 V C 0.946 177.096 176.094 0.094 0.000 1.042 398 V CA 1.620 64.005 62.300 0.142 0.000 1.000 398 V CB -0.595 31.331 31.823 0.173 0.000 0.637 398 V HN 0.580 nan 8.190 nan 0.000 0.446 399 V N 3.151 123.124 119.914 0.098 0.000 2.333 399 V HA 0.423 4.547 4.120 0.006 0.000 0.274 399 V C -0.407 175.723 176.094 0.060 0.000 1.028 399 V CA -0.372 61.987 62.300 0.099 0.000 0.851 399 V CB 0.303 32.197 31.823 0.118 0.000 1.000 399 V HN 0.758 nan 8.190 nan 0.000 0.456 400 H N 2.437 121.525 119.070 0.029 0.000 3.029 400 H HA 0.378 4.938 4.556 0.007 0.000 0.358 400 H C -0.990 174.395 175.328 0.096 0.000 1.129 400 H CA -0.846 55.158 56.048 -0.074 0.000 1.230 400 H CB 1.930 31.477 29.762 -0.358 0.000 1.827 400 H HN 0.672 nan 8.280 nan 0.000 0.530 401 D N 2.945 123.458 120.400 0.187 0.000 2.737 401 D HA -0.159 4.485 4.640 0.006 0.000 0.243 401 D C -0.303 176.061 176.300 0.106 0.000 1.109 401 D CA 0.869 54.957 54.000 0.146 0.000 0.702 401 D CB -0.826 40.087 40.800 0.187 0.000 1.068 401 D HN 0.833 nan 8.370 nan 0.000 0.432 402 K N -0.728 119.724 120.400 0.087 0.000 3.012 402 K HA -0.275 4.048 4.320 0.006 0.000 0.259 402 K C 0.160 176.778 176.600 0.031 0.000 0.989 402 K CA 1.186 57.508 56.287 0.057 0.000 0.728 402 K CB -0.636 31.891 32.500 0.045 0.000 1.260 402 K HN 0.558 nan 8.250 nan 0.000 0.480 403 Q N -0.824 118.990 119.800 0.023 0.000 2.435 403 Q HA 0.402 4.746 4.340 0.006 0.000 0.282 403 Q C -1.141 174.798 176.000 -0.101 0.000 1.020 403 Q CA -0.977 54.770 55.803 -0.092 0.000 0.820 403 Q CB 2.782 31.353 28.738 -0.278 0.000 1.436 403 Q HN 0.019 nan 8.270 nan 0.000 0.395 404 V N 1.732 121.581 119.914 -0.108 0.000 2.394 404 V HA 0.285 4.409 4.120 0.006 0.000 0.282 404 V C -0.502 175.495 176.094 -0.161 0.000 1.031 404 V CA -0.566 61.736 62.300 0.003 0.000 0.881 404 V CB 0.921 32.803 31.823 0.098 0.000 0.982 404 V HN 0.656 nan 8.190 nan 0.000 0.451 405 H N 6.311 125.320 119.070 -0.101 0.000 2.685 405 H HA 0.278 4.838 4.556 0.007 0.000 0.286 405 H C 0.579 175.888 175.328 -0.031 0.000 1.102 405 H CA -0.742 55.249 56.048 -0.095 0.000 1.254 405 H CB 1.298 30.966 29.762 -0.157 0.000 1.397 405 H HN 0.563 nan 8.280 nan 0.000 0.473 406 M N 1.593 121.214 119.600 0.034 0.000 2.073 406 M HA -0.181 4.303 4.480 0.006 0.000 0.258 406 M C 2.562 178.796 176.300 -0.109 0.000 1.070 406 M CA 1.474 56.776 55.300 0.003 0.000 1.103 406 M CB -1.062 31.567 32.600 0.048 0.000 1.321 406 M HN 0.651 nan 8.290 nan 0.000 0.405 407 A N 1.295 124.061 122.820 -0.090 0.000 1.884 407 A HA -0.252 4.071 4.320 0.006 0.000 0.219 407 A C 2.013 179.454 177.584 -0.239 0.000 1.197 407 A CA 2.351 54.266 52.037 -0.203 0.000 0.637 407 A CB -1.043 18.060 19.000 0.172 0.000 0.827 407 A HN 0.539 nan 8.150 nan 0.000 0.450 408 N N -0.325 118.388 118.700 0.022 0.000 2.061 408 N HA -0.162 4.582 4.740 0.006 0.000 0.193 408 N C 1.549 176.955 175.510 -0.174 0.000 1.030 408 N CA 1.592 54.661 53.050 0.032 0.000 0.856 408 N CB -0.703 37.944 38.487 0.267 0.000 1.023 408 N HN 0.384 nan 8.380 nan 0.000 0.424 409 L N 1.058 122.215 121.223 -0.110 0.000 2.079 409 L HA -0.121 4.223 4.340 0.006 0.000 0.210 409 L C 2.179 178.898 176.870 -0.251 0.000 1.081 409 L CA 1.373 56.141 54.840 -0.120 0.000 0.752 409 L CB -0.843 41.188 42.059 -0.047 0.000 0.896 409 L HN 0.195 nan 8.230 nan 0.000 0.433 410 C N -2.032 117.033 119.300 -0.391 0.000 2.432 410 C HA -0.120 4.344 4.460 0.006 0.000 0.277 410 C C 2.711 177.406 174.990 -0.492 0.000 1.249 410 C CA 0.866 59.583 59.018 -0.501 0.000 1.725 410 C CB -0.871 26.333 27.740 -0.895 0.000 2.028 410 C HN 0.452 nan 8.230 nan 0.000 0.477 411 V N 0.833 120.384 119.914 -0.606 0.000 2.427 411 V HA -0.149 3.975 4.120 0.006 0.000 0.248 411 V C 2.290 178.017 176.094 -0.613 0.000 1.051 411 V CA 1.942 63.843 62.300 -0.665 0.000 1.048 411 V CB -0.637 30.597 31.823 -0.981 0.000 0.666 411 V HN 0.486 nan 8.190 nan 0.000 0.456 412 V N 0.717 120.342 119.914 -0.480 0.000 2.649 412 V HA 0.045 4.169 4.120 0.006 0.000 0.248 412 V C 2.549 178.531 176.094 -0.186 0.000 1.054 412 V CA 1.691 63.769 62.300 -0.370 0.000 1.073 412 V CB -0.975 30.689 31.823 -0.266 0.000 0.699 412 V HN 0.561 nan 8.190 nan 0.000 0.463 413 G N 0.082 108.778 108.800 -0.175 0.000 2.408 413 G HA2 0.144 4.108 3.960 0.006 0.000 0.215 413 G HA3 0.144 4.108 3.960 0.006 0.000 0.215 413 G C 0.808 175.517 174.900 -0.318 0.000 1.156 413 G CA 0.738 45.710 45.100 -0.212 0.000 0.793 413 G HN 0.627 nan 8.290 nan 0.000 0.535 414 G N -0.648 107.963 108.800 -0.314 0.000 2.462 414 G HA2 0.431 4.395 3.960 0.006 0.000 0.319 414 G HA3 0.431 4.395 3.960 0.006 0.000 0.319 414 G C 0.440 175.130 174.900 -0.350 0.000 1.171 414 G CA -0.394 44.526 45.100 -0.300 0.000 0.920 414 G HN 0.218 nan 8.290 nan 0.000 0.499 415 F N -0.507 119.351 119.950 -0.154 0.000 2.615 415 F HA 0.614 5.145 4.527 0.007 0.000 0.297 415 F C 0.791 176.536 175.800 -0.091 0.000 1.124 415 F CA -0.450 57.464 58.000 -0.144 0.000 1.451 415 F CB -0.157 38.791 39.000 -0.086 0.000 1.103 415 F HN 0.512 nan 8.300 nan 0.000 0.569 416 A N 0.105 122.632 122.820 -0.489 0.000 2.527 416 A HA 0.829 5.152 4.320 0.006 0.000 0.293 416 A C -1.337 176.070 177.584 -0.296 0.000 1.117 416 A CA -0.681 51.240 52.037 -0.193 0.000 0.723 416 A CB 1.678 20.636 19.000 -0.071 0.000 1.313 416 A HN 0.051 nan 8.150 nan 0.000 0.411 417 V N 2.028 121.806 119.914 -0.228 0.000 3.012 417 V HA 0.653 4.776 4.120 0.006 0.000 0.307 417 V C -1.122 174.885 176.094 -0.145 0.000 1.166 417 V CA -0.607 61.496 62.300 -0.328 0.000 0.974 417 V CB 2.282 33.662 31.823 -0.739 0.000 1.040 417 V HN 1.234 nan 8.190 nan 0.000 0.428 418 N N 1.503 120.118 118.700 -0.142 0.000 2.961 418 N HA 0.545 5.288 4.740 0.006 0.000 0.245 418 N C -0.638 174.838 175.510 -0.057 0.000 1.404 418 N CA -0.243 52.779 53.050 -0.046 0.000 0.880 418 N CB 2.265 40.712 38.487 -0.066 0.000 1.461 418 N HN 0.801 nan 8.380 nan 0.000 0.510 419 G N -1.035 107.762 108.800 -0.005 0.000 2.705 419 G HA2 0.507 4.470 3.960 0.006 0.000 0.299 419 G HA3 0.507 4.470 3.960 0.006 0.000 0.299 419 G C 0.624 175.592 174.900 0.113 0.000 1.315 419 G CA -0.285 44.875 45.100 0.101 0.000 1.045 419 G HN 0.774 nan 8.290 nan 0.000 0.517 420 V N -3.820 116.229 119.914 0.225 0.000 3.483 420 V HA 0.689 4.813 4.120 0.006 0.000 0.301 420 V C 0.510 176.651 176.094 0.078 0.000 1.389 420 V CA 0.330 62.666 62.300 0.060 0.000 1.101 420 V CB -0.539 31.227 31.823 -0.094 0.000 0.971 420 V HN 1.410 nan 8.190 nan 0.000 0.434 421 A N -0.510 122.386 122.820 0.126 0.000 2.532 421 A HA 0.824 5.148 4.320 0.006 0.000 0.296 421 A C 0.806 178.449 177.584 0.097 0.000 1.058 421 A CA 0.032 52.128 52.037 0.100 0.000 0.729 421 A CB 1.107 20.153 19.000 0.076 0.000 1.285 421 A HN 0.986 nan 8.150 nan 0.000 0.396 422 A N 1.531 124.390 122.820 0.065 0.000 2.009 422 A HA -0.090 4.234 4.320 0.006 0.000 0.222 422 A C 1.755 179.359 177.584 0.034 0.000 1.175 422 A CA 2.200 54.261 52.037 0.039 0.000 0.651 422 A CB -0.617 18.401 19.000 0.031 0.000 0.815 422 A HN 0.895 nan 8.150 nan 0.000 0.459 423 L N -1.095 120.157 121.223 0.048 0.000 1.961 423 L HA -0.151 4.193 4.340 0.006 0.000 0.209 423 L C 2.448 179.348 176.870 0.051 0.000 1.075 423 L CA 2.526 57.389 54.840 0.038 0.000 0.749 423 L CB -2.179 39.902 42.059 0.037 0.000 0.890 423 L HN 0.699 nan 8.230 nan 0.000 0.433 424 H N 0.333 119.393 119.070 -0.017 0.000 2.357 424 H HA -0.166 4.394 4.556 0.007 0.000 0.296 424 H C 2.336 177.665 175.328 0.002 0.000 1.108 424 H CA 2.092 58.129 56.048 -0.018 0.000 1.273 424 H CB 0.048 29.796 29.762 -0.025 0.000 1.367 424 H HN 0.196 nan 8.280 nan 0.000 0.498 425 S N -0.562 115.080 115.700 -0.097 0.000 2.368 425 S HA -0.172 4.302 4.470 0.006 0.000 0.225 425 S C 1.831 176.376 174.600 -0.092 0.000 1.030 425 S CA 1.310 59.436 58.200 -0.123 0.000 0.999 425 S CB -0.383 62.808 63.200 -0.014 0.000 0.844 425 S HN 0.649 nan 8.310 nan 0.000 0.459 426 D N 1.043 121.404 120.400 -0.065 0.000 2.104 426 D HA -0.100 4.544 4.640 0.006 0.000 0.194 426 D C 1.775 178.023 176.300 -0.087 0.000 0.994 426 D CA 1.031 54.990 54.000 -0.069 0.000 0.830 426 D CB -0.244 40.529 40.800 -0.046 0.000 0.959 426 D HN 0.188 nan 8.370 nan 0.000 0.452 427 L N -0.144 121.024 121.223 -0.091 0.000 1.989 427 L HA -0.187 4.157 4.340 0.006 0.000 0.211 427 L C 2.731 179.530 176.870 -0.119 0.000 1.071 427 L CA 1.016 55.797 54.840 -0.097 0.000 0.749 427 L CB -0.909 41.101 42.059 -0.082 0.000 0.890 427 L HN 0.013 nan 8.230 nan 0.000 0.431 428 V N -0.661 119.153 119.914 -0.166 0.000 2.277 428 V HA -0.350 3.774 4.120 0.006 0.000 0.253 428 V C 2.363 178.513 176.094 0.093 0.000 1.067 428 V CA 2.062 64.323 62.300 -0.065 0.000 1.047 428 V CB -0.607 31.196 31.823 -0.034 0.000 0.649 428 V HN 0.310 nan 8.190 nan 0.000 0.447 429 V N 0.502 120.432 119.914 0.025 0.000 2.548 429 V HA -0.158 3.966 4.120 0.006 0.000 0.249 429 V C 2.057 178.067 176.094 -0.140 0.000 1.055 429 V CA 2.150 64.387 62.300 -0.106 0.000 1.065 429 V CB -0.651 30.968 31.823 -0.339 0.000 0.681 429 V HN 0.802 nan 8.190 nan 0.000 0.462 430 K N -1.355 118.981 120.400 -0.107 0.000 2.358 430 K HA 0.213 4.537 4.320 0.006 0.000 0.200 430 K C 0.378 176.932 176.600 -0.076 0.000 1.030 430 K CA 0.436 56.673 56.287 -0.083 0.000 1.097 430 K CB 0.519 32.974 32.500 -0.075 0.000 0.862 430 K HN 0.278 nan 8.250 nan 0.000 0.534 431 D N 0.277 120.617 120.400 -0.099 0.000 2.461 431 D HA 0.190 4.834 4.640 0.006 0.000 0.266 431 D C 1.501 177.694 176.300 -0.178 0.000 1.085 431 D CA 0.164 54.095 54.000 -0.116 0.000 0.887 431 D CB 0.551 41.288 40.800 -0.105 0.000 1.309 431 D HN 0.029 nan 8.370 nan 0.000 0.498 432 L N -0.980 120.067 121.223 -0.294 0.000 2.433 432 L HA 0.239 4.582 4.340 0.006 0.000 0.200 432 L C 0.035 176.533 176.870 -0.620 0.000 1.059 432 L CA 0.553 55.019 54.840 -0.623 0.000 0.835 432 L CB 0.469 41.867 42.059 -1.101 0.000 1.076 432 L HN -0.096 nan 8.230 nan 0.000 0.481 433 F N -0.224 119.892 119.950 0.277 0.000 2.679 433 F HA 0.319 4.850 4.527 0.006 0.000 0.354 433 F C -1.728 174.179 175.800 0.179 0.000 1.423 433 F CA -2.050 56.218 58.000 0.447 0.000 1.141 433 F CB -0.358 39.169 39.000 0.879 0.000 1.168 433 F HN -0.120 nan 8.300 nan 0.000 0.530 434 P HA -0.155 nan 4.420 nan 0.000 0.216 434 P C 1.043 178.403 177.300 0.099 0.000 1.153 434 P CA 1.701 64.837 63.100 0.059 0.000 0.844 434 P CB 0.419 32.118 31.700 -0.001 0.000 0.787 435 E N -0.448 119.776 120.200 0.038 0.000 2.072 435 E HA -0.183 4.171 4.350 0.006 0.000 0.191 435 E C 2.324 179.042 176.600 0.196 0.000 0.985 435 E CA 1.153 57.579 56.400 0.042 0.000 0.801 435 E CB -1.335 28.142 29.700 -0.372 0.000 0.750 435 E HN 0.304 nan 8.360 nan 0.000 0.452 436 Y N 1.335 121.789 120.300 0.255 0.000 2.165 436 Y HA -0.219 4.335 4.550 0.006 0.000 0.286 436 Y C 2.569 178.596 175.900 0.211 0.000 1.155 436 Y CA 1.340 59.643 58.100 0.338 0.000 1.164 436 Y CB -0.898 38.024 38.460 0.770 0.000 0.978 436 Y HN 0.347 nan 8.280 nan 0.000 0.513 437 H N 0.038 119.080 119.070 -0.047 0.000 2.387 437 H HA -0.191 4.369 4.556 0.006 0.000 0.299 437 H C 2.154 177.425 175.328 -0.095 0.000 1.090 437 H CA 1.653 57.405 56.048 -0.493 0.000 1.332 437 H CB 0.033 29.339 29.762 -0.759 0.000 1.386 437 H HN 0.452 nan 8.280 nan 0.000 0.516 438 Q N 0.406 120.139 119.800 -0.113 0.000 2.124 438 Q HA -0.116 4.228 4.340 0.006 0.000 0.202 438 Q C 2.546 178.434 176.000 -0.188 0.000 0.977 438 Q CA 1.232 56.962 55.803 -0.120 0.000 0.850 438 Q CB 0.172 28.980 28.738 0.116 0.000 0.901 438 Q HN 0.514 nan 8.270 nan 0.000 0.429 439 L N -0.987 120.109 121.223 -0.212 0.000 2.068 439 L HA -0.064 4.280 4.340 0.006 0.000 0.204 439 L C 0.649 177.279 176.870 -0.400 0.000 1.076 439 L CA 0.484 55.028 54.840 -0.495 0.000 0.753 439 L CB -0.061 41.408 42.059 -0.983 0.000 0.910 439 L HN 0.302 nan 8.230 nan 0.000 0.439 440 W N 0.570 122.001 121.300 0.219 0.000 2.319 440 W HA 0.312 4.976 4.660 0.006 0.000 0.288 440 W C -1.928 174.703 176.519 0.186 0.000 0.959 440 W CA -2.096 55.394 57.345 0.243 0.000 1.784 440 W CB -0.353 29.336 29.460 0.381 0.000 1.848 440 W HN -0.017 nan 8.180 nan 0.000 0.408 441 P HA -0.154 nan 4.420 nan 0.000 0.226 441 P C 0.479 177.895 177.300 0.193 0.000 1.153 441 P CA 1.506 64.446 63.100 -0.266 0.000 0.777 441 P CB 0.421 31.944 31.700 -0.295 0.000 0.794 442 N N -0.280 118.567 118.700 0.244 0.000 2.356 442 N HA 0.029 4.773 4.740 0.006 0.000 0.178 442 N C 1.829 177.426 175.510 0.145 0.000 1.075 442 N CA -0.134 53.021 53.050 0.175 0.000 0.889 442 N CB -0.109 38.468 38.487 0.151 0.000 0.999 442 N HN 0.126 nan 8.380 nan 0.000 0.464 443 K N 0.923 121.533 120.400 0.349 0.000 2.148 443 K HA -0.040 4.284 4.320 0.006 0.000 0.204 443 K C -0.474 176.127 176.600 0.001 0.000 1.050 443 K CA 0.760 57.181 56.287 0.224 0.000 0.942 443 K CB 0.033 32.669 32.500 0.226 0.000 0.724 443 K HN -0.039 nan 8.250 nan 0.000 0.446 444 F N 1.685 121.639 119.950 0.007 0.000 2.438 444 F HA 0.245 4.776 4.527 0.006 0.000 0.356 444 F C 0.838 176.472 175.800 -0.277 0.000 1.099 444 F CA -0.289 57.702 58.000 -0.016 0.000 1.185 444 F CB 0.596 39.671 39.000 0.125 0.000 1.115 444 F HN 0.045 nan 8.300 nan 0.000 0.526 445 H N 1.279 120.406 119.070 0.096 0.000 3.043 445 H HA 0.424 4.984 4.556 0.006 0.000 0.302 445 H C -0.971 174.336 175.328 -0.035 0.000 1.506 445 H CA -1.070 54.987 56.048 0.015 0.000 1.282 445 H CB 2.408 32.130 29.762 -0.067 0.000 1.914 445 H HN 0.470 nan 8.280 nan 0.000 0.625 446 N N 0.350 119.093 118.700 0.071 0.000 2.308 446 N HA 0.293 5.037 4.740 0.006 0.000 0.283 446 N C -1.986 173.442 175.510 -0.136 0.000 1.105 446 N CA -0.287 52.749 53.050 -0.024 0.000 0.840 446 N CB 2.691 41.178 38.487 -0.000 0.000 1.633 446 N HN 0.266 nan 8.380 nan 0.000 0.476 447 V N 2.205 122.006 119.914 -0.187 0.000 2.637 447 V HA 0.182 4.305 4.120 0.006 0.000 0.274 447 V C -0.009 176.040 176.094 -0.074 0.000 1.004 447 V CA -0.698 61.427 62.300 -0.293 0.000 0.894 447 V CB 1.061 32.362 31.823 -0.871 0.000 1.046 447 V HN 0.672 nan 8.190 nan 0.000 0.467 448 T N 4.266 118.827 114.554 0.011 0.000 2.934 448 T HA 0.107 4.461 4.350 0.006 0.000 0.306 448 T C 0.557 175.380 174.700 0.206 0.000 1.042 448 T CA 0.291 62.458 62.100 0.113 0.000 1.145 448 T CB 0.155 69.108 68.868 0.142 0.000 0.982 448 T HN 0.591 nan 8.240 nan 0.000 0.544 449 N N 1.132 119.973 118.700 0.235 0.000 2.444 449 N HA 0.546 5.289 4.740 0.006 0.000 0.255 449 N C 0.456 176.151 175.510 0.308 0.000 1.255 449 N CA -0.132 53.108 53.050 0.315 0.000 0.933 449 N CB 0.941 39.532 38.487 0.175 0.000 1.143 449 N HN 0.839 nan 8.380 nan 0.000 0.453 450 G N -1.032 107.973 108.800 0.343 0.000 2.708 450 G HA2 0.665 4.629 3.960 0.006 0.000 0.289 450 G HA3 0.665 4.629 3.960 0.006 0.000 0.289 450 G C -0.843 174.187 174.900 0.217 0.000 1.416 450 G CA -0.698 44.582 45.100 0.300 0.000 0.829 450 G HN 0.577 nan 8.290 nan 0.000 0.480 451 I N -2.618 118.070 120.570 0.198 0.000 3.023 451 I HA 0.818 4.992 4.170 0.006 0.000 0.312 451 I C -0.270 176.018 176.117 0.285 0.000 1.056 451 I CA -0.915 60.501 61.300 0.193 0.000 1.033 451 I CB 2.502 40.539 38.000 0.063 0.000 1.233 451 I HN 0.445 nan 8.210 nan 0.000 0.462 452 T N 3.320 118.102 114.554 0.379 0.000 2.733 452 T HA 0.397 4.751 4.350 0.006 0.000 0.294 452 T C -1.422 173.414 174.700 0.226 0.000 0.956 452 T CA -1.934 60.312 62.100 0.243 0.000 0.987 452 T CB 0.855 69.811 68.868 0.147 0.000 0.920 452 T HN 0.579 nan 8.240 nan 0.000 0.470 453 P HA -0.129 nan 4.420 nan 0.000 0.220 453 P C 1.226 178.570 177.300 0.072 0.000 1.144 453 P CA 0.780 63.991 63.100 0.185 0.000 0.800 453 P CB 0.372 32.184 31.700 0.187 0.000 0.772 454 R N 0.272 120.715 120.500 -0.096 0.000 2.109 454 R HA -0.094 4.249 4.340 0.006 0.000 0.227 454 R C 2.743 178.959 176.300 -0.140 0.000 1.132 454 R CA 1.909 57.901 56.100 -0.181 0.000 0.907 454 R CB -1.439 28.748 30.300 -0.188 0.000 0.825 454 R HN 0.121 nan 8.270 nan 0.000 0.432 455 R N -0.553 119.802 120.500 -0.242 0.000 2.062 455 R HA -0.134 4.210 4.340 0.006 0.000 0.231 455 R C 1.868 177.907 176.300 -0.435 0.000 1.136 455 R CA 1.870 57.694 56.100 -0.460 0.000 0.948 455 R CB -0.456 29.366 30.300 -0.797 0.000 0.845 455 R HN 0.325 nan 8.270 nan 0.000 0.430 456 W N -0.057 121.254 121.300 0.019 0.000 2.848 456 W HA 0.096 4.759 4.660 0.006 0.000 0.241 456 W C 1.313 177.862 176.519 0.049 0.000 1.289 456 W CA -0.081 57.282 57.345 0.031 0.000 1.396 456 W CB 0.179 29.661 29.460 0.036 0.000 1.138 456 W HN 0.204 nan 8.180 nan 0.000 0.677 457 I N -2.089 118.618 120.570 0.228 0.000 3.557 457 I HA -0.042 4.132 4.170 0.006 0.000 0.259 457 I C 2.096 178.334 176.117 0.201 0.000 1.108 457 I CA -0.200 61.228 61.300 0.214 0.000 1.536 457 I CB -0.337 37.833 38.000 0.283 0.000 1.727 457 I HN -0.421 nan 8.210 nan 0.000 0.408 458 K N 1.242 121.805 120.400 0.271 0.000 2.074 458 K HA -0.281 4.043 4.320 0.006 0.000 0.209 458 K C 2.080 178.696 176.600 0.025 0.000 1.048 458 K CA 2.304 58.705 56.287 0.190 0.000 0.926 458 K CB 0.027 32.528 32.500 0.001 0.000 0.713 458 K HN 0.274 nan 8.250 nan 0.000 0.444 459 Q N -0.068 119.704 119.800 -0.047 0.000 2.013 459 Q HA -0.135 4.209 4.340 0.006 0.000 0.195 459 Q C 2.491 178.434 176.000 -0.095 0.000 0.974 459 Q CA 1.738 57.473 55.803 -0.113 0.000 0.826 459 Q CB -0.139 28.495 28.738 -0.174 0.000 0.895 459 Q HN 0.612 nan 8.270 nan 0.000 0.448 460 C N 0.377 119.625 119.300 -0.087 0.000 2.429 460 C HA 0.055 4.519 4.460 0.006 0.000 0.277 460 C C 1.412 176.396 174.990 -0.010 0.000 1.262 460 C CA 0.188 59.179 59.018 -0.044 0.000 1.733 460 C CB -1.113 26.633 27.740 0.011 0.000 2.010 460 C HN 0.420 nan 8.230 nan 0.000 0.483 461 N N 2.031 120.739 118.700 0.014 0.000 3.044 461 N HA 0.273 5.017 4.740 0.006 0.000 0.254 461 N C -1.300 174.206 175.510 -0.006 0.000 1.253 461 N CA -1.953 51.095 53.050 -0.003 0.000 0.944 461 N CB 0.698 39.184 38.487 -0.001 0.000 1.217 461 N HN 0.383 nan 8.380 nan 0.000 0.498 462 P HA -0.142 nan 4.420 nan 0.000 0.215 462 P C 1.011 178.302 177.300 -0.014 0.000 1.157 462 P CA 1.089 64.176 63.100 -0.022 0.000 0.868 462 P CB 0.401 32.070 31.700 -0.053 0.000 0.788 463 A N -0.215 122.581 122.820 -0.040 0.000 1.898 463 A HA -0.133 4.191 4.320 0.006 0.000 0.216 463 A C 2.328 179.864 177.584 -0.081 0.000 1.181 463 A CA 1.433 53.437 52.037 -0.055 0.000 0.620 463 A CB -1.666 17.291 19.000 -0.073 0.000 0.819 463 A HN 0.192 nan 8.150 nan 0.000 0.442 464 L N -0.195 120.958 121.223 -0.118 0.000 2.046 464 L HA -0.080 4.264 4.340 0.006 0.000 0.208 464 L C 2.689 179.479 176.870 -0.134 0.000 1.077 464 L CA 2.116 56.848 54.840 -0.180 0.000 0.747 464 L CB -0.613 41.314 42.059 -0.220 0.000 0.896 464 L HN 0.343 nan 8.230 nan 0.000 0.432 465 A N -0.416 122.384 122.820 -0.033 0.000 1.908 465 A HA -0.187 4.137 4.320 0.006 0.000 0.218 465 A C 2.461 180.152 177.584 0.179 0.000 1.181 465 A CA 1.997 54.121 52.037 0.146 0.000 0.627 465 A CB -1.225 17.995 19.000 0.367 0.000 0.818 465 A HN 0.595 nan 8.150 nan 0.000 0.445 466 A N -0.681 122.195 122.820 0.093 0.000 1.877 466 A HA -0.043 4.281 4.320 0.006 0.000 0.216 466 A C 2.123 179.741 177.584 0.057 0.000 1.186 466 A CA 1.764 53.850 52.037 0.081 0.000 0.620 466 A CB -0.618 18.402 19.000 0.033 0.000 0.822 466 A HN 0.678 nan 8.150 nan 0.000 0.443 467 L N -0.319 120.901 121.223 -0.006 0.000 2.083 467 L HA -0.080 4.264 4.340 0.006 0.000 0.209 467 L C 2.202 179.099 176.870 0.045 0.000 1.083 467 L CA 1.384 56.218 54.840 -0.011 0.000 0.752 467 L CB -0.429 41.559 42.059 -0.117 0.000 0.899 467 L HN 0.336 nan 8.230 nan 0.000 0.433 468 L N -0.802 120.398 121.223 -0.038 0.000 1.994 468 L HA -0.219 4.125 4.340 0.006 0.000 0.208 468 L C 2.313 179.213 176.870 0.050 0.000 1.071 468 L CA 1.836 56.582 54.840 -0.157 0.000 0.745 468 L CB -1.162 40.454 42.059 -0.739 0.000 0.892 468 L HN 0.313 nan 8.230 nan 0.000 0.431 469 D N 0.529 121.083 120.400 0.257 0.000 2.103 469 D HA -0.240 4.404 4.640 0.006 0.000 0.190 469 D C 2.077 178.495 176.300 0.196 0.000 0.997 469 D CA 1.780 55.982 54.000 0.338 0.000 0.833 469 D CB -0.170 40.801 40.800 0.285 0.000 0.961 469 D HN 0.467 nan 8.370 nan 0.000 0.447 470 K N 0.338 120.825 120.400 0.144 0.000 2.211 470 K HA 0.029 4.352 4.320 0.006 0.000 0.203 470 K C 1.915 178.583 176.600 0.115 0.000 1.050 470 K CA 1.133 57.489 56.287 0.114 0.000 0.945 470 K CB -0.095 32.462 32.500 0.095 0.000 0.732 470 K HN -0.123 nan 8.250 nan 0.000 0.451 471 S N 0.761 116.540 115.700 0.132 0.000 2.496 471 S HA 0.172 4.646 4.470 0.006 0.000 0.224 471 S C 0.562 175.203 174.600 0.068 0.000 0.996 471 S CA 0.147 58.419 58.200 0.121 0.000 0.927 471 S CB -0.098 63.236 63.200 0.223 0.000 0.774 471 S HN 0.189 nan 8.310 nan 0.000 0.524 472 L N 1.143 122.422 121.223 0.094 0.000 2.346 472 L HA 0.401 4.745 4.340 0.006 0.000 0.276 472 L C 0.911 177.848 176.870 0.112 0.000 1.006 472 L CA -0.545 54.352 54.840 0.095 0.000 0.817 472 L CB 1.521 43.659 42.059 0.132 0.000 1.272 472 L HN -0.074 nan 8.230 nan 0.000 0.421 473 Q N 0.757 120.604 119.800 0.080 0.000 2.297 473 Q HA 0.033 4.377 4.340 0.006 0.000 0.204 473 Q C -0.109 175.940 176.000 0.082 0.000 0.962 473 Q CA 0.860 56.705 55.803 0.070 0.000 0.879 473 Q CB 0.330 29.095 28.738 0.045 0.000 0.947 473 Q HN 0.389 nan 8.270 nan 0.000 0.462 474 K N 0.784 121.245 120.400 0.102 0.000 2.238 474 K HA 0.259 4.583 4.320 0.006 0.000 0.239 474 K C -0.598 176.086 176.600 0.141 0.000 0.987 474 K CA -0.755 55.591 56.287 0.098 0.000 0.857 474 K CB 1.253 33.800 32.500 0.078 0.000 1.154 474 K HN -0.150 nan 8.250 nan 0.000 0.439 475 E N 1.821 122.069 120.200 0.080 0.000 2.324 475 E HA -0.003 4.351 4.350 0.006 0.000 0.271 475 E C 0.376 177.000 176.600 0.039 0.000 1.028 475 E CA 0.026 56.429 56.400 0.007 0.000 0.890 475 E CB 0.315 29.992 29.700 -0.039 0.000 1.004 475 E HN 0.599 nan 8.360 nan 0.000 0.431 476 W N 3.910 125.219 121.300 0.016 0.000 2.735 476 W HA 0.284 4.947 4.660 0.006 0.000 0.264 476 W C 1.116 177.607 176.519 -0.046 0.000 1.233 476 W CA 0.385 57.728 57.345 -0.003 0.000 1.408 476 W CB -0.779 28.687 29.460 0.010 0.000 1.038 476 W HN 0.606 nan 8.180 nan 0.000 0.603 477 A N 3.071 125.254 122.820 -1.060 0.000 2.042 477 A HA -0.316 4.008 4.320 0.006 0.000 0.222 477 A C 1.598 178.805 177.584 -0.628 0.000 1.167 477 A CA 2.282 53.645 52.037 -1.123 0.000 0.649 477 A CB -1.131 17.026 19.000 -1.406 0.000 0.809 477 A HN 0.574 nan 8.150 nan 0.000 0.457 478 N N -2.553 115.925 118.700 -0.371 0.000 2.305 478 N HA 0.083 4.827 4.740 0.006 0.000 0.248 478 N C -0.986 174.497 175.510 -0.046 0.000 1.290 478 N CA 0.206 53.144 53.050 -0.186 0.000 0.873 478 N CB 0.581 39.015 38.487 -0.087 0.000 1.261 478 N HN 0.151 nan 8.380 nan 0.000 0.504 479 D N 1.007 121.404 120.400 -0.005 0.000 3.285 479 D HA 0.086 4.730 4.640 0.006 0.000 0.273 479 D C 0.694 177.061 176.300 0.112 0.000 1.295 479 D CA -0.408 53.621 54.000 0.048 0.000 0.762 479 D CB 0.356 41.184 40.800 0.046 0.000 1.379 479 D HN -0.039 nan 8.370 nan 0.000 0.612 480 L N 0.997 122.296 121.223 0.126 0.000 2.456 480 L HA -0.134 4.210 4.340 0.006 0.000 0.225 480 L C 1.009 177.950 176.870 0.119 0.000 1.142 480 L CA 1.908 56.856 54.840 0.179 0.000 0.796 480 L CB -0.151 42.003 42.059 0.159 0.000 0.920 480 L HN 0.122 nan 8.230 nan 0.000 0.446 481 D N -1.902 118.543 120.400 0.074 0.000 2.312 481 D HA -0.153 4.491 4.640 0.006 0.000 0.211 481 D C 1.929 178.258 176.300 0.049 0.000 0.964 481 D CA 0.368 54.391 54.000 0.037 0.000 0.877 481 D CB -0.039 40.769 40.800 0.013 0.000 0.924 481 D HN 0.324 nan 8.370 nan 0.000 0.515 482 Q N 0.081 119.937 119.800 0.094 0.000 2.297 482 Q HA -0.094 4.250 4.340 0.006 0.000 0.208 482 Q C 1.880 177.916 176.000 0.061 0.000 0.981 482 Q CA 0.543 56.404 55.803 0.096 0.000 0.876 482 Q CB -0.219 28.623 28.738 0.173 0.000 0.921 482 Q HN 0.357 nan 8.270 nan 0.000 0.446 483 L N 0.166 121.420 121.223 0.051 0.000 2.187 483 L HA -0.174 4.170 4.340 0.006 0.000 0.213 483 L C 2.128 178.983 176.870 -0.024 0.000 1.100 483 L CA 0.868 55.703 54.840 -0.010 0.000 0.765 483 L CB -0.716 41.335 42.059 -0.013 0.000 0.904 483 L HN 0.178 nan 8.230 nan 0.000 0.437 484 I N 0.008 120.568 120.570 -0.016 0.000 2.530 484 I HA -0.268 3.906 4.170 0.006 0.000 0.257 484 I C 1.656 177.744 176.117 -0.048 0.000 1.179 484 I CA 1.182 62.462 61.300 -0.033 0.000 1.440 484 I CB -0.382 37.601 38.000 -0.029 0.000 1.087 484 I HN 0.309 nan 8.210 nan 0.000 0.440 485 N N -0.063 118.613 118.700 -0.041 0.000 2.571 485 N HA -0.012 4.732 4.740 0.006 0.000 0.189 485 N C 1.479 176.927 175.510 -0.103 0.000 1.154 485 N CA 0.670 53.686 53.050 -0.056 0.000 0.907 485 N CB -0.236 38.234 38.487 -0.028 0.000 0.977 485 N HN 0.417 nan 8.380 nan 0.000 0.449 486 L N -0.254 120.898 121.223 -0.119 0.000 2.307 486 L HA 0.026 4.370 4.340 0.006 0.000 0.211 486 L C 1.995 178.721 176.870 -0.240 0.000 1.099 486 L CA 0.183 54.899 54.840 -0.206 0.000 0.816 486 L CB -0.354 41.627 42.059 -0.131 0.000 0.952 486 L HN 0.055 nan 8.230 nan 0.000 0.455 487 V N -0.337 119.484 119.914 -0.156 0.000 2.363 487 V HA -0.354 3.770 4.120 0.006 0.000 0.254 487 V C 2.437 178.431 176.094 -0.167 0.000 1.074 487 V CA 2.405 64.620 62.300 -0.143 0.000 1.069 487 V CB -1.209 30.556 31.823 -0.098 0.000 0.659 487 V HN 0.646 nan 8.190 nan 0.000 0.455 488 K N 1.118 121.415 120.400 -0.172 0.000 2.025 488 K HA -0.004 4.320 4.320 0.006 0.000 0.207 488 K C 2.037 178.492 176.600 -0.242 0.000 1.049 488 K CA 1.795 57.982 56.287 -0.167 0.000 0.933 488 K CB -0.802 31.618 32.500 -0.133 0.000 0.714 488 K HN 0.448 nan 8.250 nan 0.000 0.438 489 L N 1.497 122.488 121.223 -0.387 0.000 2.651 489 L HA -0.071 4.273 4.340 0.006 0.000 0.236 489 L C 2.371 178.867 176.870 -0.625 0.000 1.173 489 L CA 0.665 55.115 54.840 -0.650 0.000 0.843 489 L CB -0.407 40.943 42.059 -1.183 0.000 0.964 489 L HN 0.382 nan 8.230 nan 0.000 0.454 490 A N -0.591 122.009 122.820 -0.366 0.000 2.178 490 A HA -0.198 4.126 4.320 0.006 0.000 0.218 490 A C 1.708 179.233 177.584 -0.099 0.000 1.157 490 A CA 1.873 53.792 52.037 -0.197 0.000 0.689 490 A CB -0.373 18.530 19.000 -0.161 0.000 0.787 490 A HN 0.453 nan 8.150 nan 0.000 0.465 491 D N -0.796 119.539 120.400 -0.108 0.000 2.323 491 D HA 0.039 4.683 4.640 0.006 0.000 0.218 491 D C 0.344 176.640 176.300 -0.008 0.000 0.973 491 D CA 0.282 54.252 54.000 -0.050 0.000 0.890 491 D CB 0.001 40.767 40.800 -0.057 0.000 1.011 491 D HN 0.331 nan 8.370 nan 0.000 0.499 492 D N 0.539 120.936 120.400 -0.005 0.000 2.455 492 D HA 0.047 4.691 4.640 0.006 0.000 0.265 492 D C 1.256 177.623 176.300 0.112 0.000 1.284 492 D CA 0.012 54.047 54.000 0.058 0.000 0.944 492 D CB 0.695 41.546 40.800 0.085 0.000 1.121 492 D HN 0.128 nan 8.370 nan 0.000 0.525 493 A N 4.918 127.777 122.820 0.066 0.000 1.997 493 A HA -0.280 4.044 4.320 0.006 0.000 0.221 493 A C 1.999 179.626 177.584 0.072 0.000 1.172 493 A CA 1.640 53.713 52.037 0.059 0.000 0.645 493 A CB -0.291 18.729 19.000 0.033 0.000 0.813 493 A HN 0.668 nan 8.150 nan 0.000 0.454 494 K N -1.896 118.553 120.400 0.082 0.000 2.103 494 K HA -0.022 4.302 4.320 0.006 0.000 0.204 494 K C 1.736 178.392 176.600 0.094 0.000 1.052 494 K CA 1.350 57.680 56.287 0.072 0.000 0.945 494 K CB -0.273 32.267 32.500 0.067 0.000 0.722 494 K HN 0.523 nan 8.250 nan 0.000 0.443 495 F N 2.019 121.977 119.950 0.013 0.000 2.084 495 F HA -0.119 4.412 4.527 0.007 0.000 0.296 495 F C 2.279 178.106 175.800 0.044 0.000 1.111 495 F CA 1.293 59.308 58.000 0.026 0.000 1.224 495 F CB 0.016 39.018 39.000 0.003 0.000 0.991 495 F HN -0.175 nan 8.300 nan 0.000 0.471 496 R N 0.110 120.757 120.500 0.245 0.000 2.119 496 R HA -0.254 4.090 4.340 0.006 0.000 0.246 496 R C 1.966 178.294 176.300 0.046 0.000 1.146 496 R CA 2.109 58.283 56.100 0.124 0.000 0.962 496 R CB -0.870 29.484 30.300 0.090 0.000 0.863 496 R HN 0.384 nan 8.270 nan 0.000 0.442 497 D N 0.264 120.680 120.400 0.027 0.000 2.097 497 D HA -0.115 4.529 4.640 0.006 0.000 0.195 497 D C 1.942 178.222 176.300 -0.033 0.000 0.989 497 D CA 0.984 54.986 54.000 0.003 0.000 0.827 497 D CB -0.008 40.795 40.800 0.005 0.000 0.966 497 D HN 0.105 nan 8.370 nan 0.000 0.456 498 L N -0.597 120.574 121.223 -0.086 0.000 2.093 498 L HA -0.150 4.194 4.340 0.006 0.000 0.208 498 L C 2.156 178.920 176.870 -0.177 0.000 1.085 498 L CA 0.860 55.615 54.840 -0.141 0.000 0.755 498 L CB -0.418 41.529 42.059 -0.186 0.000 0.904 498 L HN 0.200 nan 8.230 nan 0.000 0.435 499 Y N 0.463 120.531 120.300 -0.386 0.000 2.242 499 Y HA -0.251 4.303 4.550 0.007 0.000 0.291 499 Y C 2.816 178.622 175.900 -0.156 0.000 1.137 499 Y CA 1.535 59.433 58.100 -0.336 0.000 1.181 499 Y CB -0.085 38.152 38.460 -0.372 0.000 0.989 499 Y HN 0.004 nan 8.280 nan 0.000 0.527 500 R N 0.022 120.582 120.500 0.100 0.000 2.061 500 R HA -0.138 4.206 4.340 0.006 0.000 0.230 500 R C 2.341 178.624 176.300 -0.029 0.000 1.140 500 R CA 2.222 58.362 56.100 0.066 0.000 0.940 500 R CB -0.771 29.561 30.300 0.053 0.000 0.839 500 R HN 0.360 nan 8.270 nan 0.000 0.429 501 V N -0.446 119.440 119.914 -0.047 0.000 2.439 501 V HA -0.268 3.856 4.120 0.006 0.000 0.253 501 V C 2.152 178.196 176.094 -0.083 0.000 1.074 501 V CA 1.914 64.178 62.300 -0.059 0.000 1.076 501 V CB -0.772 31.019 31.823 -0.053 0.000 0.664 501 V HN 0.313 nan 8.190 nan 0.000 0.461 502 I N 0.153 120.648 120.570 -0.125 0.000 2.133 502 I HA -0.183 3.991 4.170 0.006 0.000 0.238 502 I C 2.684 178.713 176.117 -0.147 0.000 1.074 502 I CA 2.194 63.399 61.300 -0.157 0.000 1.342 502 I CB -0.471 37.379 38.000 -0.250 0.000 1.053 502 I HN 0.319 nan 8.210 nan 0.000 0.404 503 K N 1.174 121.473 120.400 -0.169 0.000 2.074 503 K HA -0.302 4.022 4.320 0.006 0.000 0.209 503 K C 2.092 178.628 176.600 -0.106 0.000 1.048 503 K CA 1.925 58.141 56.287 -0.120 0.000 0.926 503 K CB -0.416 32.051 32.500 -0.055 0.000 0.713 503 K HN 0.154 nan 8.250 nan 0.000 0.444 504 Q N -0.005 119.737 119.800 -0.096 0.000 2.112 504 Q HA -0.100 4.244 4.340 0.006 0.000 0.206 504 Q C 1.852 177.799 176.000 -0.089 0.000 0.987 504 Q CA 2.385 58.124 55.803 -0.107 0.000 0.858 504 Q CB -0.718 27.974 28.738 -0.077 0.000 0.905 504 Q HN 0.375 nan 8.270 nan 0.000 0.420 505 A N 0.367 123.147 122.820 -0.067 0.000 1.902 505 A HA -0.205 4.118 4.320 0.006 0.000 0.217 505 A C 1.857 179.425 177.584 -0.026 0.000 1.181 505 A CA 1.703 53.715 52.037 -0.040 0.000 0.623 505 A CB -0.774 18.201 19.000 -0.041 0.000 0.818 505 A HN 0.537 nan 8.150 nan 0.000 0.443 506 N N 0.036 118.711 118.700 -0.042 0.000 2.289 506 N HA -0.102 4.642 4.740 0.006 0.000 0.184 506 N C 1.501 177.024 175.510 0.023 0.000 1.016 506 N CA 1.392 54.434 53.050 -0.012 0.000 0.872 506 N CB -0.262 38.208 38.487 -0.028 0.000 0.973 506 N HN 0.599 nan 8.380 nan 0.000 0.433 507 K N 0.053 120.422 120.400 -0.051 0.000 2.116 507 K HA 0.091 4.415 4.320 0.006 0.000 0.203 507 K C 1.773 178.446 176.600 0.120 0.000 1.052 507 K CA 0.480 56.716 56.287 -0.085 0.000 0.952 507 K CB 0.108 32.252 32.500 -0.592 0.000 0.729 507 K HN -0.055 nan 8.250 nan 0.000 0.446 508 V N 1.651 121.594 119.914 0.050 0.000 2.626 508 V HA -0.181 3.943 4.120 0.006 0.000 0.252 508 V C 2.095 178.258 176.094 0.116 0.000 1.067 508 V CA 1.505 63.858 62.300 0.089 0.000 1.081 508 V CB -0.490 31.358 31.823 0.042 0.000 0.686 508 V HN 0.258 nan 8.190 nan 0.000 0.468 509 R N -0.556 120.006 120.500 0.103 0.000 2.093 509 R HA -0.005 4.339 4.340 0.006 0.000 0.224 509 R C 2.196 178.596 176.300 0.167 0.000 1.101 509 R CA 0.904 57.068 56.100 0.107 0.000 0.979 509 R CB -0.440 29.898 30.300 0.063 0.000 0.877 509 R HN 0.356 nan 8.270 nan 0.000 0.441 510 L N 1.096 122.447 121.223 0.213 0.000 2.141 510 L HA -0.021 4.323 4.340 0.006 0.000 0.209 510 L C 2.177 179.209 176.870 0.271 0.000 1.094 510 L CA 1.505 56.515 54.840 0.282 0.000 0.763 510 L CB -0.521 41.747 42.059 0.348 0.000 0.908 510 L HN 0.088 nan 8.230 nan 0.000 0.437 511 A N -0.863 122.108 122.820 0.252 0.000 1.969 511 A HA -0.187 4.137 4.320 0.006 0.000 0.218 511 A C 2.090 179.759 177.584 0.142 0.000 1.169 511 A CA 1.597 53.739 52.037 0.176 0.000 0.635 511 A CB -0.433 18.682 19.000 0.191 0.000 0.810 511 A HN 0.603 nan 8.150 nan 0.000 0.445 512 E N -1.144 119.154 120.200 0.164 0.000 2.006 512 E HA -0.167 4.187 4.350 0.006 0.000 0.192 512 E C 1.809 178.524 176.600 0.190 0.000 0.993 512 E CA 1.237 57.727 56.400 0.150 0.000 0.808 512 E CB -0.414 29.373 29.700 0.145 0.000 0.764 512 E HN 0.563 nan 8.360 nan 0.000 0.449 513 F N 2.050 122.037 119.950 0.062 0.000 2.085 513 F HA -0.293 4.239 4.527 0.008 0.000 0.299 513 F C 2.172 178.008 175.800 0.060 0.000 1.096 513 F CA 1.238 59.274 58.000 0.062 0.000 1.227 513 F CB -0.598 38.445 39.000 0.072 0.000 0.983 513 F HN -0.187 nan 8.300 nan 0.000 0.482 514 V N 0.404 120.350 119.914 0.053 0.000 2.233 514 V HA -0.363 3.761 4.120 0.006 0.000 0.247 514 V C 2.477 178.535 176.094 -0.060 0.000 1.050 514 V CA 2.500 64.763 62.300 -0.062 0.000 1.010 514 V CB -0.841 30.981 31.823 -0.002 0.000 0.637 514 V HN 0.341 nan 8.190 nan 0.000 0.444 515 K N -0.136 120.263 120.400 -0.002 0.000 2.063 515 K HA -0.168 4.156 4.320 0.006 0.000 0.208 515 K C 1.942 178.533 176.600 -0.014 0.000 1.048 515 K CA 1.702 57.990 56.287 0.001 0.000 0.928 515 K CB -0.331 32.184 32.500 0.026 0.000 0.713 515 K HN 0.287 nan 8.250 nan 0.000 0.442 516 V N 1.382 121.288 119.914 -0.014 0.000 2.287 516 V HA -0.242 3.881 4.120 0.006 0.000 0.248 516 V C 2.334 178.385 176.094 -0.070 0.000 1.053 516 V CA 2.064 64.354 62.300 -0.018 0.000 1.027 516 V CB -0.465 31.372 31.823 0.023 0.000 0.646 516 V HN 0.356 nan 8.190 nan 0.000 0.447 517 R N -0.129 120.267 120.500 -0.172 0.000 2.240 517 R HA -0.009 4.335 4.340 0.006 0.000 0.203 517 R C 1.984 178.226 176.300 -0.097 0.000 1.011 517 R CA 1.542 57.529 56.100 -0.188 0.000 1.007 517 R CB -0.101 29.963 30.300 -0.393 0.000 0.911 517 R HN 0.742 nan 8.270 nan 0.000 0.468 518 T N -5.839 108.675 114.554 -0.066 0.000 2.993 518 T HA 0.229 4.582 4.350 0.006 0.000 0.260 518 T C 1.331 176.030 174.700 -0.002 0.000 0.939 518 T CA 0.524 62.616 62.100 -0.014 0.000 0.886 518 T CB 1.181 70.054 68.868 0.008 0.000 1.209 518 T HN 0.252 nan 8.240 nan 0.000 0.518 519 G N 1.974 110.770 108.800 -0.008 0.000 2.199 519 G HA2 -0.196 3.768 3.960 0.006 0.000 0.254 519 G HA3 -0.196 3.768 3.960 0.006 0.000 0.254 519 G C 0.041 174.944 174.900 0.006 0.000 0.982 519 G CA 0.069 45.171 45.100 0.003 0.000 0.632 519 G HN 0.699 nan 8.290 nan 0.000 0.529 520 I N 1.767 122.338 120.570 0.001 0.000 2.496 520 I HA 0.199 4.373 4.170 0.006 0.000 0.285 520 I C -0.207 175.909 176.117 -0.001 0.000 1.080 520 I CA -0.326 60.973 61.300 -0.001 0.000 1.404 520 I CB 0.749 38.745 38.000 -0.006 0.000 1.403 520 I HN -0.035 nan 8.210 nan 0.000 0.539 521 D N 6.918 127.321 120.400 0.005 0.000 2.393 521 D HA 0.208 4.852 4.640 0.006 0.000 0.232 521 D C -0.242 176.062 176.300 0.006 0.000 1.192 521 D CA -0.254 53.754 54.000 0.014 0.000 0.882 521 D CB 0.989 41.801 40.800 0.021 0.000 1.038 521 D HN 0.176 nan 8.370 nan 0.000 0.499 522 I N 3.388 123.957 120.570 -0.002 0.000 2.396 522 I HA -0.034 4.140 4.170 0.006 0.000 0.289 522 I C 0.571 176.725 176.117 0.062 0.000 1.056 522 I CA -0.523 60.754 61.300 -0.038 0.000 1.365 522 I CB 0.500 38.405 38.000 -0.159 0.000 1.407 522 I HN 0.162 nan 8.210 nan 0.000 0.509 523 N N 9.980 128.723 118.700 0.073 0.000 2.431 523 N HA 0.141 4.885 4.740 0.006 0.000 0.265 523 N C -1.826 173.870 175.510 0.310 0.000 1.184 523 N CA -1.458 51.674 53.050 0.136 0.000 0.943 523 N CB 0.841 39.379 38.487 0.085 0.000 1.080 523 N HN 0.338 nan 8.380 nan 0.000 0.477 524 P HA -0.055 nan 4.420 nan 0.000 0.245 524 P C 0.217 177.516 177.300 -0.002 0.000 1.212 524 P CA 0.737 63.933 63.100 0.160 0.000 0.774 524 P CB 0.568 32.318 31.700 0.083 0.000 0.999 525 Q N -0.509 119.327 119.800 0.060 0.000 2.402 525 Q HA 0.221 4.564 4.340 0.006 0.000 0.206 525 Q C 1.177 177.192 176.000 0.025 0.000 0.919 525 Q CA 0.020 55.837 55.803 0.023 0.000 0.923 525 Q CB 0.023 28.778 28.738 0.028 0.000 1.048 525 Q HN 0.195 nan 8.270 nan 0.000 0.515 526 A N 0.822 123.686 122.820 0.074 0.000 2.313 526 A HA 0.383 4.707 4.320 0.006 0.000 0.261 526 A C 0.063 177.600 177.584 -0.077 0.000 1.090 526 A CA -0.466 51.578 52.037 0.011 0.000 0.807 526 A CB 0.192 19.230 19.000 0.063 0.000 1.055 526 A HN 0.254 nan 8.150 nan 0.000 0.492 527 I N 1.994 122.353 120.570 -0.351 0.000 2.389 527 I HA 0.020 4.194 4.170 0.006 0.000 0.295 527 I C -0.653 175.347 176.117 -0.196 0.000 1.117 527 I CA -0.003 60.948 61.300 -0.581 0.000 1.317 527 I CB -0.300 37.189 38.000 -0.851 0.000 1.431 527 I HN 0.364 nan 8.210 nan 0.000 0.521 528 F N 4.666 124.421 119.950 -0.325 0.000 2.604 528 F HA -0.002 4.530 4.527 0.007 0.000 0.337 528 F C 1.078 176.700 175.800 -0.298 0.000 1.294 528 F CA -0.386 57.464 58.000 -0.251 0.000 1.066 528 F CB -0.830 38.099 39.000 -0.119 0.000 1.391 528 F HN 0.400 nan 8.300 nan 0.000 0.652 529 D N 4.632 124.819 120.400 -0.355 0.000 2.402 529 D HA 0.168 4.812 4.640 0.006 0.000 0.235 529 D C 0.005 176.116 176.300 -0.316 0.000 1.226 529 D CA 0.002 53.735 54.000 -0.445 0.000 0.918 529 D CB 0.159 40.372 40.800 -0.978 0.000 1.043 529 D HN 0.298 nan 8.370 nan 0.000 0.506 530 I N 2.889 123.350 120.570 -0.183 0.000 2.353 530 I HA 0.204 4.378 4.170 0.006 0.000 0.293 530 I C 0.380 176.351 176.117 -0.243 0.000 0.992 530 I CA -0.608 60.574 61.300 -0.198 0.000 1.268 530 I CB 1.594 39.543 38.000 -0.085 0.000 1.387 530 I HN 0.189 nan 8.210 nan 0.000 0.478 531 Q N 8.304 127.853 119.800 -0.417 0.000 2.464 531 Q HA 0.496 4.840 4.340 0.006 0.000 0.256 531 Q C -1.314 174.447 176.000 -0.398 0.000 1.020 531 Q CA -0.537 55.020 55.803 -0.410 0.000 0.716 531 Q CB 1.243 29.655 28.738 -0.544 0.000 1.230 531 Q HN 0.743 nan 8.270 nan 0.000 0.494 532 I N 1.759 122.137 120.570 -0.320 0.000 2.420 532 I HA 0.653 4.827 4.170 0.006 0.000 0.282 532 I C -1.178 174.628 176.117 -0.517 0.000 1.019 532 I CA -0.591 60.416 61.300 -0.488 0.000 1.130 532 I CB 0.888 38.615 38.000 -0.455 0.000 1.262 532 I HN 0.457 nan 8.210 nan 0.000 0.454 533 K N 3.584 123.687 120.400 -0.496 0.000 2.711 533 K HA 0.409 4.733 4.320 0.006 0.000 0.294 533 K C -1.126 175.405 176.600 -0.114 0.000 1.037 533 K CA -1.141 54.997 56.287 -0.247 0.000 0.858 533 K CB 1.130 33.545 32.500 -0.142 0.000 1.521 533 K HN 0.504 nan 8.250 nan 0.000 0.386 534 R N 1.011 121.512 120.500 0.003 0.000 2.537 534 R HA 0.020 4.364 4.340 0.006 0.000 0.281 534 R C -0.397 175.898 176.300 -0.007 0.000 0.988 534 R CA -0.118 56.012 56.100 0.050 0.000 1.077 534 R CB 0.122 30.463 30.300 0.068 0.000 0.932 534 R HN 0.548 nan 8.270 nan 0.000 0.409 535 L N 5.340 126.571 121.223 0.013 0.000 2.385 535 L HA 0.111 4.455 4.340 0.006 0.000 0.281 535 L C -0.300 176.463 176.870 -0.178 0.000 1.106 535 L CA 0.365 55.169 54.840 -0.061 0.000 0.856 535 L CB 0.051 42.103 42.059 -0.011 0.000 1.186 535 L HN 0.594 nan 8.230 nan 0.000 0.453 536 H N 3.064 121.935 119.070 -0.331 0.000 2.928 536 H HA 0.153 4.713 4.556 0.007 0.000 0.371 536 H C 0.016 175.093 175.328 -0.419 0.000 1.186 536 H CA -0.502 55.298 56.048 -0.415 0.000 1.134 536 H CB 1.962 31.354 29.762 -0.616 0.000 1.824 536 H HN 0.741 nan 8.280 nan 0.000 0.554 537 E N 1.878 122.096 120.200 0.031 0.000 2.047 537 E HA -0.211 4.142 4.350 0.006 0.000 0.191 537 E C 1.275 177.755 176.600 -0.200 0.000 0.987 537 E CA 1.557 57.949 56.400 -0.013 0.000 0.799 537 E CB -0.127 29.700 29.700 0.212 0.000 0.752 537 E HN 0.599 nan 8.360 nan 0.000 0.449 538 Y N 0.363 120.393 120.300 -0.449 0.000 2.569 538 Y HA 0.030 4.584 4.550 0.007 0.000 0.293 538 Y C 1.331 177.032 175.900 -0.332 0.000 1.144 538 Y CA 0.647 58.251 58.100 -0.827 0.000 1.321 538 Y CB -0.174 37.806 38.460 -0.801 0.000 0.982 538 Y HN -0.126 nan 8.280 nan 0.000 0.558 539 K N 0.832 121.025 120.400 -0.345 0.000 2.426 539 K HA 0.119 4.443 4.320 0.006 0.000 0.193 539 K C 0.191 176.759 176.600 -0.053 0.000 1.028 539 K CA 0.201 56.377 56.287 -0.185 0.000 1.047 539 K CB 0.035 32.378 32.500 -0.262 0.000 0.821 539 K HN 0.273 nan 8.250 nan 0.000 0.513 540 R N 0.916 121.434 120.500 0.029 0.000 3.405 540 R HA -0.230 4.114 4.340 0.006 0.000 0.258 540 R C 0.411 176.835 176.300 0.207 0.000 1.030 540 R CA 0.211 56.420 56.100 0.182 0.000 0.691 540 R CB -1.630 28.668 30.300 -0.004 0.000 1.093 540 R HN 0.281 nan 8.270 nan 0.000 0.448 541 Q N -0.382 119.526 119.800 0.180 0.000 2.234 541 Q HA -0.184 4.160 4.340 0.006 0.000 0.206 541 Q C 1.802 177.926 176.000 0.207 0.000 0.980 541 Q CA 2.233 58.141 55.803 0.176 0.000 0.869 541 Q CB -0.246 28.547 28.738 0.092 0.000 0.912 541 Q HN 0.861 nan 8.270 nan 0.000 0.436 542 H N -1.879 117.176 119.070 -0.026 0.000 2.491 542 H HA -0.028 4.532 4.556 0.007 0.000 0.290 542 H C 1.847 177.185 175.328 0.018 0.000 1.050 542 H CA 0.522 56.550 56.048 -0.033 0.000 1.309 542 H CB -0.083 29.660 29.762 -0.031 0.000 1.392 542 H HN 0.203 nan 8.280 nan 0.000 0.554 543 L N 1.571 122.796 121.223 0.003 0.000 2.109 543 L HA -0.104 4.240 4.340 0.006 0.000 0.207 543 L C 2.097 179.060 176.870 0.155 0.000 1.086 543 L CA 1.664 56.502 54.840 -0.004 0.000 0.760 543 L CB -0.766 41.211 42.059 -0.137 0.000 0.910 543 L HN 0.417 nan 8.230 nan 0.000 0.437 544 N N -1.050 117.729 118.700 0.131 0.000 2.188 544 N HA -0.211 4.532 4.740 0.006 0.000 0.184 544 N C 1.957 177.545 175.510 0.130 0.000 1.018 544 N CA 1.021 54.215 53.050 0.239 0.000 0.858 544 N CB -0.060 38.551 38.487 0.207 0.000 0.989 544 N HN 0.342 nan 8.380 nan 0.000 0.426 545 L N 1.060 122.332 121.223 0.082 0.000 2.017 545 L HA -0.104 4.240 4.340 0.006 0.000 0.208 545 L C 1.921 178.758 176.870 -0.055 0.000 1.073 545 L CA 1.379 56.183 54.840 -0.060 0.000 0.745 545 L CB -0.840 41.150 42.059 -0.115 0.000 0.894 545 L HN 0.195 nan 8.230 nan 0.000 0.432 546 L N -0.342 120.906 121.223 0.042 0.000 2.079 546 L HA -0.187 4.157 4.340 0.006 0.000 0.210 546 L C 2.773 179.782 176.870 0.233 0.000 1.081 546 L CA 1.577 56.468 54.840 0.083 0.000 0.752 546 L CB -1.059 41.047 42.059 0.078 0.000 0.896 546 L HN 0.334 nan 8.230 nan 0.000 0.433 547 R N -0.652 120.005 120.500 0.261 0.000 2.073 547 R HA -0.037 4.306 4.340 0.006 0.000 0.229 547 R C 2.314 178.567 176.300 -0.079 0.000 1.120 547 R CA 1.064 57.236 56.100 0.120 0.000 0.967 547 R CB -0.183 30.103 30.300 -0.024 0.000 0.862 547 R HN 0.312 nan 8.270 nan 0.000 0.436 548 I N 0.978 121.405 120.570 -0.239 0.000 2.163 548 I HA -0.328 3.845 4.170 0.006 0.000 0.243 548 I C 2.290 178.311 176.117 -0.160 0.000 1.085 548 I CA 1.254 62.288 61.300 -0.443 0.000 1.347 548 I CB -0.220 37.414 38.000 -0.611 0.000 1.044 548 I HN 0.195 nan 8.210 nan 0.000 0.408 549 L N 0.374 121.540 121.223 -0.095 0.000 2.046 549 L HA -0.222 4.122 4.340 0.006 0.000 0.208 549 L C 2.844 179.769 176.870 0.093 0.000 1.077 549 L CA 1.422 56.272 54.840 0.017 0.000 0.747 549 L CB -0.664 41.364 42.059 -0.052 0.000 0.896 549 L HN 0.259 nan 8.230 nan 0.000 0.432 550 A N -0.250 122.627 122.820 0.094 0.000 1.902 550 A HA -0.225 4.099 4.320 0.006 0.000 0.217 550 A C 2.175 179.804 177.584 0.075 0.000 1.181 550 A CA 1.597 53.708 52.037 0.124 0.000 0.623 550 A CB -0.644 18.512 19.000 0.260 0.000 0.818 550 A HN 0.328 nan 8.150 nan 0.000 0.443 551 L N -1.644 119.610 121.223 0.050 0.000 2.056 551 L HA -0.122 4.222 4.340 0.006 0.000 0.207 551 L C 2.290 179.230 176.870 0.117 0.000 1.078 551 L CA 2.164 57.036 54.840 0.054 0.000 0.749 551 L CB -0.846 41.241 42.059 0.047 0.000 0.901 551 L HN 0.531 nan 8.230 nan 0.000 0.433 552 Y N 0.622 120.910 120.300 -0.020 0.000 2.145 552 Y HA -0.239 4.315 4.550 0.007 0.000 0.286 552 Y C 2.625 178.536 175.900 0.018 0.000 1.145 552 Y CA 2.171 60.270 58.100 -0.001 0.000 1.148 552 Y CB -0.511 37.940 38.460 -0.016 0.000 0.981 552 Y HN 0.234 nan 8.280 nan 0.000 0.507 553 K N 0.622 120.974 120.400 -0.079 0.000 2.044 553 K HA -0.298 4.025 4.320 0.006 0.000 0.210 553 K C 2.199 178.738 176.600 -0.102 0.000 1.049 553 K CA 2.075 58.262 56.287 -0.166 0.000 0.927 553 K CB -0.397 32.073 32.500 -0.049 0.000 0.713 553 K HN 0.572 nan 8.250 nan 0.000 0.443 554 E N 0.531 120.715 120.200 -0.026 0.000 2.049 554 E HA -0.214 4.140 4.350 0.006 0.000 0.198 554 E C 2.119 178.711 176.600 -0.014 0.000 1.007 554 E CA 1.778 58.172 56.400 -0.010 0.000 0.809 554 E CB -0.157 29.549 29.700 0.010 0.000 0.749 554 E HN 0.388 nan 8.360 nan 0.000 0.450 555 I N 0.485 121.059 120.570 0.006 0.000 2.208 555 I HA -0.306 3.868 4.170 0.006 0.000 0.245 555 I C 2.722 178.832 176.117 -0.011 0.000 1.097 555 I CA 1.242 62.554 61.300 0.021 0.000 1.363 555 I CB -0.397 37.652 38.000 0.081 0.000 1.051 555 I HN 0.095 nan 8.210 nan 0.000 0.413 556 R N 0.594 121.050 120.500 -0.073 0.000 2.070 556 R HA -0.174 4.170 4.340 0.006 0.000 0.233 556 R C 2.228 178.488 176.300 -0.067 0.000 1.137 556 R CA 1.533 57.574 56.100 -0.099 0.000 0.945 556 R CB -0.408 29.756 30.300 -0.228 0.000 0.845 556 R HN 0.291 nan 8.270 nan 0.000 0.430 557 E N 1.148 121.304 120.200 -0.073 0.000 1.992 557 E HA -0.140 4.214 4.350 0.006 0.000 0.202 557 E C 0.548 177.132 176.600 -0.026 0.000 1.007 557 E CA 1.008 57.380 56.400 -0.047 0.000 0.857 557 E CB -0.191 29.484 29.700 -0.042 0.000 0.796 557 E HN 0.044 nan 8.360 nan 0.000 0.486 558 N N 1.034 119.724 118.700 -0.018 0.000 2.448 558 N HA 0.025 4.769 4.740 0.006 0.000 0.250 558 N C -2.055 173.453 175.510 -0.004 0.000 1.136 558 N CA -1.418 51.627 53.050 -0.009 0.000 0.953 558 N CB 0.943 39.427 38.487 -0.004 0.000 1.251 558 N HN 0.022 nan 8.380 nan 0.000 0.502 559 P HA -0.091 nan 4.420 nan 0.000 0.222 559 P C 0.489 177.792 177.300 0.004 0.000 1.153 559 P CA 0.884 63.985 63.100 0.002 0.000 0.798 559 P CB 0.570 32.271 31.700 0.001 0.000 0.796 560 Q N -0.063 119.738 119.800 0.003 0.000 2.444 560 Q HA 0.147 4.491 4.340 0.006 0.000 0.206 560 Q C 1.018 177.021 176.000 0.004 0.000 0.948 560 Q CA 0.056 55.861 55.803 0.003 0.000 0.946 560 Q CB -0.623 28.116 28.738 0.003 0.000 1.027 560 Q HN 0.177 nan 8.270 nan 0.000 0.513 561 A N 2.217 125.039 122.820 0.004 0.000 2.770 561 A HA -0.008 4.316 4.320 0.006 0.000 0.292 561 A C -0.274 177.313 177.584 0.005 0.000 1.604 561 A CA -0.273 51.767 52.037 0.003 0.000 1.271 561 A CB -0.546 18.456 19.000 0.003 0.000 1.075 561 A HN -0.072 nan 8.150 nan 0.000 0.573 562 D N 2.178 122.581 120.400 0.004 0.000 2.349 562 D HA 0.142 4.786 4.640 0.006 0.000 0.266 562 D C 0.125 176.425 176.300 0.000 0.000 1.293 562 D CA 0.599 54.602 54.000 0.004 0.000 0.926 562 D CB 0.173 40.975 40.800 0.004 0.000 1.090 562 D HN 0.362 nan 8.370 nan 0.000 0.502 563 R N 2.696 123.195 120.500 -0.002 0.000 2.686 563 R HA 0.352 4.696 4.340 0.006 0.000 0.286 563 R C -0.784 175.503 176.300 -0.021 0.000 0.969 563 R CA -1.032 55.060 56.100 -0.012 0.000 0.898 563 R CB 1.761 32.056 30.300 -0.009 0.000 1.183 563 R HN 0.144 nan 8.270 nan 0.000 0.456 564 V N 4.468 124.357 119.914 -0.042 0.000 2.599 564 V HA 0.063 4.187 4.120 0.006 0.000 0.300 564 V C -1.836 174.205 176.094 -0.088 0.000 1.034 564 V CA -0.979 61.284 62.300 -0.061 0.000 1.115 564 V CB 0.296 32.062 31.823 -0.095 0.000 0.934 564 V HN 0.540 nan 8.190 nan 0.000 0.485 565 P HA 0.173 nan 4.420 nan 0.000 0.265 565 P C -0.271 176.964 177.300 -0.107 0.000 1.187 565 P CA 0.267 63.338 63.100 -0.048 0.000 0.766 565 P CB 0.521 32.210 31.700 -0.018 0.000 0.820 566 R N 1.379 121.829 120.500 -0.083 0.000 2.912 566 R HA 0.784 5.128 4.340 0.006 0.000 0.262 566 R C -1.680 174.545 176.300 -0.124 0.000 1.057 566 R CA -0.971 55.021 56.100 -0.179 0.000 0.981 566 R CB 1.705 31.869 30.300 -0.227 0.000 1.201 566 R HN 0.191 nan 8.270 nan 0.000 0.484 567 V N 2.851 122.606 119.914 -0.265 0.000 2.610 567 V HA 0.336 4.460 4.120 0.006 0.000 0.288 567 V C -1.346 174.536 176.094 -0.354 0.000 1.055 567 V CA -0.679 61.492 62.300 -0.214 0.000 0.902 567 V CB 1.369 32.997 31.823 -0.325 0.000 1.030 567 V HN 0.557 nan 8.190 nan 0.000 0.448 568 F N 5.065 124.918 119.950 -0.162 0.000 2.385 568 F HA 0.746 5.276 4.527 0.006 0.000 0.336 568 F C 0.070 175.751 175.800 -0.198 0.000 1.100 568 F CA -0.583 57.301 58.000 -0.193 0.000 1.116 568 F CB 1.418 40.336 39.000 -0.137 0.000 1.166 568 F HN 0.218 nan 8.300 nan 0.000 0.511 569 L N 3.394 124.517 121.223 -0.166 0.000 2.410 569 L HA 0.544 4.888 4.340 0.006 0.000 0.270 569 L C -1.037 175.644 176.870 -0.315 0.000 0.983 569 L CA -0.331 54.429 54.840 -0.133 0.000 0.822 569 L CB 1.679 43.661 42.059 -0.130 0.000 1.285 569 L HN 0.426 nan 8.230 nan 0.000 0.409 570 F N 0.271 120.093 119.950 -0.214 0.000 2.575 570 F HA 0.879 5.410 4.527 0.007 0.000 0.330 570 F C 0.573 176.216 175.800 -0.263 0.000 1.056 570 F CA -0.797 56.929 58.000 -0.457 0.000 0.964 570 F CB 2.477 40.783 39.000 -1.156 0.000 1.258 570 F HN 0.352 nan 8.300 nan 0.000 0.484 571 G N 0.665 109.412 108.800 -0.088 0.000 2.413 571 G HA2 0.663 4.627 3.960 0.006 0.000 0.285 571 G HA3 0.663 4.627 3.960 0.006 0.000 0.285 571 G C -2.147 172.759 174.900 0.010 0.000 1.337 571 G CA -0.435 44.720 45.100 0.092 0.000 1.324 571 G HN 0.884 nan 8.290 nan 0.000 0.611 572 A N 2.479 125.588 122.820 0.482 0.000 2.574 572 A HA 0.846 5.170 4.320 0.006 0.000 0.297 572 A C -0.928 176.864 177.584 0.347 0.000 1.062 572 A CA -0.853 51.389 52.037 0.342 0.000 0.686 572 A CB 2.176 21.377 19.000 0.336 0.000 1.285 572 A HN 0.713 nan 8.150 nan 0.000 0.403 573 K N 2.085 122.620 120.400 0.225 0.000 2.404 573 K HA 0.641 4.965 4.320 0.006 0.000 0.257 573 K C -0.611 176.113 176.600 0.207 0.000 1.026 573 K CA -0.114 56.290 56.287 0.196 0.000 0.951 573 K CB 1.167 33.733 32.500 0.111 0.000 1.203 573 K HN 0.988 nan 8.250 nan 0.000 0.446 574 A N 3.502 126.484 122.820 0.270 0.000 2.276 574 A HA 0.565 4.889 4.320 0.006 0.000 0.300 574 A C 0.114 177.835 177.584 0.228 0.000 1.235 574 A CA -0.471 51.646 52.037 0.134 0.000 0.867 574 A CB 0.529 19.558 19.000 0.048 0.000 1.137 574 A HN 0.858 nan 8.150 nan 0.000 0.527 575 A N 4.486 127.417 122.820 0.184 0.000 2.531 575 A HA 0.495 4.818 4.320 0.006 0.000 0.236 575 A C -2.380 175.239 177.584 0.059 0.000 1.062 575 A CA -0.889 51.258 52.037 0.183 0.000 0.760 575 A CB -0.556 18.526 19.000 0.138 0.000 0.995 575 A HN 0.600 nan 8.150 nan 0.000 0.501 576 P HA 0.292 nan 4.420 nan 0.000 0.266 576 P C 0.980 178.200 177.300 -0.135 0.000 1.215 576 P CA 1.797 64.823 63.100 -0.122 0.000 0.763 576 P CB 0.704 32.339 31.700 -0.107 0.000 0.806 577 G N 2.857 111.506 108.800 -0.251 0.000 2.213 577 G HA2 -0.282 3.682 3.960 0.006 0.000 0.226 577 G HA3 -0.282 3.682 3.960 0.006 0.000 0.226 577 G C -0.139 174.207 174.900 -0.924 0.000 0.992 577 G CA -0.541 44.191 45.100 -0.613 0.000 0.632 577 G HN 0.485 nan 8.290 nan 0.000 0.511 578 Y N 2.973 122.944 120.300 -0.549 0.000 2.568 578 Y HA 0.532 5.086 4.550 0.006 0.000 0.338 578 Y C 1.482 177.192 175.900 -0.317 0.000 1.245 578 Y CA -1.830 56.031 58.100 -0.399 0.000 1.667 578 Y CB -0.767 37.544 38.460 -0.248 0.000 1.568 578 Y HN 0.262 nan 8.280 nan 0.000 0.471 579 Y N 2.072 122.502 120.300 0.217 0.000 2.207 579 Y HA -0.313 4.240 4.550 0.006 0.000 0.287 579 Y C 2.344 178.295 175.900 0.084 0.000 1.156 579 Y CA 1.303 59.465 58.100 0.103 0.000 1.182 579 Y CB -0.624 37.874 38.460 0.063 0.000 0.979 579 Y HN 0.500 nan 8.280 nan 0.000 0.521 580 L N -0.426 120.960 121.223 0.271 0.000 2.005 580 L HA -0.213 4.131 4.340 0.006 0.000 0.207 580 L C 2.511 179.311 176.870 -0.116 0.000 1.072 580 L CA 1.694 56.607 54.840 0.122 0.000 0.744 580 L CB -0.801 41.383 42.059 0.209 0.000 0.895 580 L HN 0.302 nan 8.230 nan 0.000 0.433 581 A N 0.206 122.747 122.820 -0.465 0.000 1.892 581 A HA -0.282 4.042 4.320 0.006 0.000 0.218 581 A C 2.217 179.645 177.584 -0.259 0.000 1.188 581 A CA 2.162 53.804 52.037 -0.660 0.000 0.631 581 A CB -0.507 17.729 19.000 -1.272 0.000 0.822 581 A HN 0.466 nan 8.150 nan 0.000 0.447 582 K N -0.487 119.837 120.400 -0.126 0.000 2.147 582 K HA -0.150 4.174 4.320 0.006 0.000 0.205 582 K C 2.032 178.663 176.600 0.052 0.000 1.049 582 K CA 1.218 57.499 56.287 -0.010 0.000 0.936 582 K CB -0.296 32.223 32.500 0.032 0.000 0.722 582 K HN 0.673 nan 8.250 nan 0.000 0.446 583 N N 1.357 120.100 118.700 0.071 0.000 2.120 583 N HA -0.151 4.593 4.740 0.006 0.000 0.188 583 N C 1.838 177.437 175.510 0.148 0.000 1.024 583 N CA 0.896 54.049 53.050 0.172 0.000 0.852 583 N CB 0.031 38.615 38.487 0.162 0.000 1.003 583 N HN 0.110 nan 8.380 nan 0.000 0.424 584 I N 1.342 121.905 120.570 -0.011 0.000 2.208 584 I HA -0.281 3.893 4.170 0.006 0.000 0.245 584 I C 2.230 178.299 176.117 -0.080 0.000 1.097 584 I CA 0.958 62.197 61.300 -0.102 0.000 1.363 584 I CB -0.259 37.599 38.000 -0.236 0.000 1.051 584 I HN 0.181 nan 8.210 nan 0.000 0.413 585 I N 0.127 120.687 120.570 -0.017 0.000 2.208 585 I HA -0.332 3.842 4.170 0.006 0.000 0.245 585 I C 2.599 178.695 176.117 -0.034 0.000 1.097 585 I CA 1.465 62.767 61.300 0.004 0.000 1.363 585 I CB -0.550 37.444 38.000 -0.009 0.000 1.051 585 I HN 0.192 nan 8.210 nan 0.000 0.413 586 F N 2.261 122.155 119.950 -0.093 0.000 2.069 586 F HA -0.270 4.260 4.527 0.006 0.000 0.298 586 F C 2.522 178.314 175.800 -0.014 0.000 1.113 586 F CA 1.386 59.370 58.000 -0.027 0.000 1.214 586 F CB -0.832 38.220 39.000 0.086 0.000 0.978 586 F HN 0.026 nan 8.300 nan 0.000 0.474 587 A N 0.877 123.573 122.820 -0.207 0.000 1.865 587 A HA -0.196 4.128 4.320 0.006 0.000 0.217 587 A C 2.403 179.612 177.584 -0.626 0.000 1.191 587 A CA 2.220 53.820 52.037 -0.728 0.000 0.623 587 A CB -1.363 17.206 19.000 -0.719 0.000 0.826 587 A HN 0.494 nan 8.150 nan 0.000 0.444 588 I N 0.177 120.480 120.570 -0.444 0.000 2.118 588 I HA -0.356 3.818 4.170 0.006 0.000 0.241 588 I C 2.377 178.267 176.117 -0.378 0.000 1.070 588 I CA 1.631 62.654 61.300 -0.461 0.000 1.327 588 I CB -0.596 37.078 38.000 -0.543 0.000 1.034 588 I HN 0.382 nan 8.210 nan 0.000 0.405 589 N N 0.862 119.376 118.700 -0.309 0.000 2.043 589 N HA -0.180 4.564 4.740 0.006 0.000 0.193 589 N C 1.830 177.203 175.510 -0.227 0.000 1.037 589 N CA 1.287 54.176 53.050 -0.267 0.000 0.851 589 N CB -0.305 37.998 38.487 -0.307 0.000 1.027 589 N HN 0.269 nan 8.380 nan 0.000 0.422 590 K N 1.168 121.403 120.400 -0.274 0.000 2.152 590 K HA -0.081 4.243 4.320 0.006 0.000 0.206 590 K C 2.113 178.623 176.600 -0.150 0.000 1.048 590 K CA 0.687 56.862 56.287 -0.187 0.000 0.933 590 K CB -0.867 31.517 32.500 -0.193 0.000 0.721 590 K HN 0.328 nan 8.250 nan 0.000 0.447 591 V N -1.512 118.192 119.914 -0.349 0.000 2.649 591 V HA 0.086 4.210 4.120 0.006 0.000 0.248 591 V C 2.183 178.101 176.094 -0.293 0.000 1.054 591 V CA 1.408 63.446 62.300 -0.437 0.000 1.073 591 V CB -0.549 30.766 31.823 -0.847 0.000 0.699 591 V HN 0.113 nan 8.190 nan 0.000 0.463 592 A N 0.802 123.467 122.820 -0.259 0.000 1.908 592 A HA -0.248 4.076 4.320 0.006 0.000 0.218 592 A C 1.933 179.440 177.584 -0.129 0.000 1.181 592 A CA 2.232 54.157 52.037 -0.187 0.000 0.627 592 A CB -0.969 17.946 19.000 -0.140 0.000 0.818 592 A HN 0.588 nan 8.150 nan 0.000 0.445 593 D N -0.252 120.095 120.400 -0.087 0.000 2.149 593 D HA -0.111 4.533 4.640 0.006 0.000 0.198 593 D C 2.110 178.397 176.300 -0.022 0.000 0.990 593 D CA 1.535 55.513 54.000 -0.037 0.000 0.839 593 D CB -0.436 40.360 40.800 -0.008 0.000 0.948 593 D HN 0.267 nan 8.370 nan 0.000 0.460 594 V N 1.226 121.141 119.914 0.001 0.000 2.261 594 V HA -0.215 3.909 4.120 0.006 0.000 0.246 594 V C 2.569 178.627 176.094 -0.061 0.000 1.047 594 V CA 1.193 63.526 62.300 0.055 0.000 1.015 594 V CB -0.453 31.532 31.823 0.270 0.000 0.642 594 V HN 0.161 nan 8.190 nan 0.000 0.446 595 I N 0.671 121.084 120.570 -0.262 0.000 2.142 595 I HA -0.213 3.961 4.170 0.006 0.000 0.240 595 I C 2.443 178.450 176.117 -0.184 0.000 1.078 595 I CA 1.626 62.658 61.300 -0.446 0.000 1.343 595 I CB -0.685 36.964 38.000 -0.585 0.000 1.046 595 I HN 0.338 nan 8.210 nan 0.000 0.405 596 N N 1.184 119.809 118.700 -0.124 0.000 2.149 596 N HA -0.165 4.579 4.740 0.006 0.000 0.188 596 N C 1.342 176.835 175.510 -0.028 0.000 1.019 596 N CA 1.254 54.268 53.050 -0.060 0.000 0.857 596 N CB -0.567 37.893 38.487 -0.044 0.000 0.997 596 N HN 0.457 nan 8.380 nan 0.000 0.426 597 N N 0.881 119.569 118.700 -0.020 0.000 2.412 597 N HA -0.064 4.680 4.740 0.006 0.000 0.184 597 N C -0.250 175.273 175.510 0.022 0.000 1.101 597 N CA 0.115 53.169 53.050 0.005 0.000 0.881 597 N CB 0.099 38.593 38.487 0.012 0.000 0.969 597 N HN 0.205 nan 8.380 nan 0.000 0.459 598 D N 2.514 122.932 120.400 0.031 0.000 2.346 598 D HA 0.032 4.676 4.640 0.006 0.000 0.260 598 D C -1.229 175.104 176.300 0.056 0.000 1.252 598 D CA -1.678 52.364 54.000 0.070 0.000 0.895 598 D CB 1.450 42.335 40.800 0.141 0.000 1.097 598 D HN 0.122 nan 8.370 nan 0.000 0.489 599 P HA -0.100 nan 4.420 nan 0.000 0.223 599 P C 1.677 179.003 177.300 0.042 0.000 1.151 599 P CA 0.589 63.711 63.100 0.037 0.000 0.787 599 P CB 0.444 32.162 31.700 0.030 0.000 0.788 600 L N -0.118 121.138 121.223 0.055 0.000 2.044 600 L HA -0.086 4.258 4.340 0.006 0.000 0.205 600 L C 2.894 179.803 176.870 0.064 0.000 1.075 600 L CA 1.484 56.357 54.840 0.055 0.000 0.747 600 L CB -1.268 40.824 42.059 0.056 0.000 0.903 600 L HN -0.074 nan 8.230 nan 0.000 0.435 601 V N -1.998 117.971 119.914 0.092 0.000 2.331 601 V HA 0.251 4.375 4.120 0.006 0.000 0.242 601 V C 1.867 177.996 176.094 0.058 0.000 1.034 601 V CA 1.004 63.361 62.300 0.095 0.000 1.027 601 V CB -1.009 30.913 31.823 0.165 0.000 0.667 601 V HN 0.491 nan 8.190 nan 0.000 0.457 602 G N 2.373 111.200 108.800 0.044 0.000 2.699 602 G HA2 -0.554 3.410 3.960 0.006 0.000 0.347 602 G HA3 -0.554 3.410 3.960 0.006 0.000 0.347 602 G C 1.003 175.916 174.900 0.022 0.000 1.225 602 G CA 1.369 46.485 45.100 0.026 0.000 0.973 602 G HN 0.949 nan 8.290 nan 0.000 0.551 603 D N 0.610 121.024 120.400 0.023 0.000 2.311 603 D HA -0.107 4.537 4.640 0.006 0.000 0.212 603 D C 1.854 178.167 176.300 0.021 0.000 0.972 603 D CA 1.488 55.501 54.000 0.022 0.000 0.887 603 D CB -0.170 40.645 40.800 0.024 0.000 0.915 603 D HN 0.403 nan 8.370 nan 0.000 0.497 604 K N -0.166 120.251 120.400 0.029 0.000 2.217 604 K HA 0.090 4.414 4.320 0.006 0.000 0.202 604 K C 0.706 177.330 176.600 0.040 0.000 1.051 604 K CA 0.106 56.412 56.287 0.032 0.000 0.952 604 K CB 0.158 32.686 32.500 0.047 0.000 0.736 604 K HN 0.262 nan 8.250 nan 0.000 0.453 605 L N 0.070 121.317 121.223 0.040 0.000 2.611 605 L HA 0.332 4.676 4.340 0.006 0.000 0.260 605 L C -1.893 174.986 176.870 0.014 0.000 0.924 605 L CA -0.302 54.570 54.840 0.053 0.000 0.901 605 L CB 1.756 43.861 42.059 0.077 0.000 1.369 605 L HN -0.254 nan 8.230 nan 0.000 0.415 606 K N 3.657 124.077 120.400 0.033 0.000 2.523 606 K HA 0.749 5.073 4.320 0.006 0.000 0.257 606 K C -1.791 174.838 176.600 0.048 0.000 0.932 606 K CA -0.644 55.642 56.287 -0.001 0.000 0.812 606 K CB 2.781 35.265 32.500 -0.027 0.000 1.326 606 K HN 0.359 nan 8.250 nan 0.000 0.433 607 V N 2.083 122.005 119.914 0.013 0.000 2.407 607 V HA 0.411 4.535 4.120 0.006 0.000 0.291 607 V C -0.751 175.378 176.094 0.058 0.000 1.018 607 V CA -0.966 61.373 62.300 0.066 0.000 0.842 607 V CB 1.840 33.654 31.823 -0.014 0.000 0.996 607 V HN 0.494 nan 8.190 nan 0.000 0.426 608 V N 6.465 126.444 119.914 0.109 0.000 2.483 608 V HA 0.629 4.753 4.120 0.006 0.000 0.297 608 V C -1.547 174.690 176.094 0.238 0.000 1.027 608 V CA -0.475 61.896 62.300 0.118 0.000 0.855 608 V CB 1.535 33.386 31.823 0.046 0.000 0.995 608 V HN 0.661 nan 8.190 nan 0.000 0.424 609 F N 7.454 127.458 119.950 0.089 0.000 2.371 609 F HA 0.576 5.107 4.527 0.007 0.000 0.363 609 F C -0.172 175.788 175.800 0.265 0.000 1.122 609 F CA -1.347 56.739 58.000 0.144 0.000 1.129 609 F CB 1.081 39.992 39.000 -0.148 0.000 1.173 609 F HN 0.446 nan 8.300 nan 0.000 0.489 610 L N 8.779 130.392 121.223 0.649 0.000 2.315 610 L HA 0.295 4.639 4.340 0.006 0.000 0.283 610 L C -1.934 175.223 176.870 0.479 0.000 1.089 610 L CA -1.828 53.274 54.840 0.438 0.000 0.833 610 L CB 0.815 43.054 42.059 0.299 0.000 1.170 610 L HN 0.427 nan 8.230 nan 0.000 0.442 611 P HA 0.022 nan 4.420 nan 0.000 0.276 611 P C -0.469 176.797 177.300 -0.057 0.000 1.230 611 P CA 0.018 62.995 63.100 -0.204 0.000 0.776 611 P CB 0.970 32.321 31.700 -0.583 0.000 0.888 612 D N 0.854 121.215 120.400 -0.065 0.000 2.872 612 D HA -0.231 4.413 4.640 0.006 0.000 0.248 612 D C -0.998 175.363 176.300 0.102 0.000 1.104 612 D CA 0.453 54.440 54.000 -0.022 0.000 0.784 612 D CB -2.002 38.762 40.800 -0.060 0.000 1.036 612 D HN 0.359 nan 8.370 nan 0.000 0.426 613 Y N 1.533 121.873 120.300 0.067 0.000 2.544 613 Y HA 0.332 4.885 4.550 0.006 0.000 0.330 613 Y C 0.728 176.661 175.900 0.056 0.000 1.136 613 Y CA -0.049 58.117 58.100 0.111 0.000 1.417 613 Y CB 0.075 38.624 38.460 0.149 0.000 1.229 613 Y HN 0.449 nan 8.280 nan 0.000 0.532 614 C N 3.287 122.317 119.300 -0.449 0.000 3.340 614 C HA 0.516 4.979 4.460 0.006 0.000 0.333 614 C C 1.217 175.960 174.990 -0.412 0.000 1.464 614 C CA -0.628 58.155 59.018 -0.391 0.000 1.337 614 C CB 0.763 28.405 27.740 -0.164 0.000 1.740 614 C HN 0.638 nan 8.230 nan 0.000 0.450 615 V N 1.501 121.295 119.914 -0.200 0.000 2.287 615 V HA -0.190 3.934 4.120 0.006 0.000 0.248 615 V C 2.633 178.708 176.094 -0.033 0.000 1.053 615 V CA 3.024 65.309 62.300 -0.024 0.000 1.027 615 V CB -0.951 30.870 31.823 -0.002 0.000 0.646 615 V HN 0.980 nan 8.190 nan 0.000 0.447 616 S N -0.144 115.505 115.700 -0.084 0.000 2.419 616 S HA -0.146 4.327 4.470 0.006 0.000 0.233 616 S C 2.083 176.630 174.600 -0.089 0.000 1.016 616 S CA 1.324 59.471 58.200 -0.089 0.000 0.974 616 S CB -0.364 62.790 63.200 -0.076 0.000 0.786 616 S HN 0.676 nan 8.310 nan 0.000 0.492 617 A N 1.379 124.173 122.820 -0.043 0.000 1.898 617 A HA 0.362 4.685 4.320 0.006 0.000 0.214 617 A C 2.351 180.002 177.584 0.112 0.000 1.183 617 A CA 1.220 53.294 52.037 0.062 0.000 0.622 617 A CB -1.016 18.103 19.000 0.198 0.000 0.824 617 A HN 0.476 nan 8.150 nan 0.000 0.444 618 A N 0.243 123.115 122.820 0.087 0.000 1.908 618 A HA -0.223 4.101 4.320 0.006 0.000 0.218 618 A C 1.840 179.613 177.584 0.316 0.000 1.181 618 A CA 1.780 53.979 52.037 0.270 0.000 0.627 618 A CB -0.624 18.528 19.000 0.254 0.000 0.818 618 A HN 0.623 nan 8.150 nan 0.000 0.445 619 E N -1.017 119.345 120.200 0.270 0.000 2.333 619 E HA -0.175 4.179 4.350 0.006 0.000 0.198 619 E C 1.911 178.535 176.600 0.041 0.000 1.007 619 E CA 1.231 57.726 56.400 0.157 0.000 0.845 619 E CB -0.028 29.643 29.700 -0.048 0.000 0.766 619 E HN 0.610 nan 8.360 nan 0.000 0.507 620 K N 0.020 120.404 120.400 -0.028 0.000 2.168 620 K HA 0.049 4.373 4.320 0.006 0.000 0.201 620 K C 1.842 178.467 176.600 0.041 0.000 1.049 620 K CA 0.254 56.468 56.287 -0.123 0.000 0.974 620 K CB 0.297 32.496 32.500 -0.502 0.000 0.792 620 K HN -0.016 nan 8.250 nan 0.000 0.463 621 L N 0.472 121.773 121.223 0.130 0.000 1.993 621 L HA -0.068 4.276 4.340 0.006 0.000 0.206 621 L C 2.167 179.126 176.870 0.148 0.000 1.074 621 L CA 1.039 55.986 54.840 0.177 0.000 0.746 621 L CB -0.549 41.642 42.059 0.221 0.000 0.896 621 L HN 0.105 nan 8.230 nan 0.000 0.435 622 I N 0.299 120.958 120.570 0.148 0.000 2.147 622 I HA -0.292 3.882 4.170 0.006 0.000 0.245 622 I C -0.533 175.643 176.117 0.098 0.000 1.059 622 I CA 1.767 63.136 61.300 0.116 0.000 1.320 622 I CB -1.508 36.572 38.000 0.134 0.000 1.021 622 I HN 0.249 nan 8.210 nan 0.000 0.415 623 P HA -0.030 nan 4.420 nan 0.000 0.242 623 P C 0.516 177.839 177.300 0.039 0.000 1.197 623 P CA 0.999 64.131 63.100 0.052 0.000 0.765 623 P CB 0.176 31.897 31.700 0.036 0.000 0.936 624 A N -1.328 121.542 122.820 0.084 0.000 2.508 624 A HA 0.566 4.890 4.320 0.006 0.000 0.250 624 A C 1.020 178.670 177.584 0.111 0.000 1.208 624 A CA -0.003 52.082 52.037 0.080 0.000 0.960 624 A CB -0.231 18.873 19.000 0.172 0.000 1.099 624 A HN 0.148 nan 8.150 nan 0.000 0.542 625 A N 0.530 123.428 122.820 0.130 0.000 2.488 625 A HA 0.413 4.737 4.320 0.006 0.000 0.249 625 A C 0.418 178.083 177.584 0.134 0.000 1.083 625 A CA 0.139 52.256 52.037 0.133 0.000 0.768 625 A CB 0.174 19.226 19.000 0.087 0.000 1.017 625 A HN 0.352 nan 8.150 nan 0.000 0.496 626 D N 1.235 121.726 120.400 0.152 0.000 2.320 626 D HA 0.076 4.720 4.640 0.006 0.000 0.228 626 D C 0.288 176.756 176.300 0.280 0.000 0.978 626 D CA 0.923 55.094 54.000 0.286 0.000 0.905 626 D CB 0.128 41.059 40.800 0.217 0.000 1.051 626 D HN 0.390 nan 8.370 nan 0.000 0.471 627 I N 1.449 122.094 120.570 0.125 0.000 2.336 627 I HA 0.075 4.249 4.170 0.006 0.000 0.292 627 I C 0.311 176.440 176.117 0.021 0.000 0.991 627 I CA -0.271 61.071 61.300 0.069 0.000 1.227 627 I CB 1.399 39.377 38.000 -0.037 0.000 1.366 627 I HN -0.194 nan 8.210 nan 0.000 0.466 628 S N 6.908 122.629 115.700 0.034 0.000 2.592 628 S HA 0.182 4.656 4.470 0.006 0.000 0.305 628 S C 0.133 174.740 174.600 0.012 0.000 1.118 628 S CA -0.615 57.589 58.200 0.007 0.000 1.075 628 S CB -0.171 63.033 63.200 0.006 0.000 1.107 628 S HN 0.386 nan 8.310 nan 0.000 0.503 629 E N 3.480 123.671 120.200 -0.015 0.000 2.328 629 E HA 0.066 4.420 4.350 0.006 0.000 0.265 629 E C -0.040 176.554 176.600 -0.010 0.000 1.057 629 E CA 0.227 56.635 56.400 0.012 0.000 0.916 629 E CB 0.550 30.226 29.700 -0.041 0.000 0.993 629 E HN 0.643 nan 8.360 nan 0.000 0.446 630 Q N 2.399 122.219 119.800 0.033 0.000 2.366 630 Q HA 0.171 4.514 4.340 0.006 0.000 0.356 630 Q C 0.654 176.651 176.000 -0.005 0.000 0.866 630 Q CA -0.103 55.694 55.803 -0.009 0.000 1.109 630 Q CB 0.066 28.790 28.738 -0.025 0.000 1.361 630 Q HN 0.600 nan 8.270 nan 0.000 0.404 631 I N -1.079 119.496 120.570 0.008 0.000 3.539 631 I HA 0.136 4.310 4.170 0.006 0.000 0.297 631 I C 0.666 176.746 176.117 -0.063 0.000 1.284 631 I CA -0.227 61.071 61.300 -0.004 0.000 1.355 631 I CB -0.518 37.404 38.000 -0.129 0.000 1.144 631 I HN -0.071 nan 8.210 nan 0.000 0.495 632 S N 1.118 116.782 115.700 -0.059 0.000 2.626 632 S HA 0.235 4.708 4.470 0.006 0.000 0.257 632 S C 0.496 175.078 174.600 -0.030 0.000 1.288 632 S CA -0.407 57.783 58.200 -0.017 0.000 0.980 632 S CB 0.705 63.920 63.200 0.025 0.000 0.975 632 S HN 0.415 nan 8.310 nan 0.000 0.577 633 T N 2.016 116.588 114.554 0.030 0.000 2.728 633 T HA 0.568 4.922 4.350 0.006 0.000 0.296 633 T C 0.445 175.146 174.700 0.001 0.000 0.940 633 T CA 0.040 62.168 62.100 0.046 0.000 1.013 633 T CB 0.317 69.311 68.868 0.211 0.000 0.912 633 T HN 0.971 nan 8.240 nan 0.000 0.484 634 A N 2.838 125.632 122.820 -0.044 0.000 2.592 634 A HA 0.412 4.735 4.320 0.006 0.000 0.250 634 A C 1.563 179.122 177.584 -0.041 0.000 1.017 634 A CA 0.514 52.517 52.037 -0.057 0.000 0.794 634 A CB -0.875 18.089 19.000 -0.059 0.000 0.917 634 A HN 1.713 nan 8.150 nan 0.000 0.515 635 G N 2.090 110.860 108.800 -0.049 0.000 2.149 635 G HA2 -0.186 3.778 3.960 0.006 0.000 0.235 635 G HA3 -0.186 3.778 3.960 0.006 0.000 0.235 635 G C 0.559 175.416 174.900 -0.073 0.000 1.018 635 G CA 0.591 45.664 45.100 -0.045 0.000 0.728 635 G HN 0.762 nan 8.290 nan 0.000 0.508 636 K N -0.705 119.620 120.400 -0.125 0.000 2.556 636 K HA 0.163 4.487 4.320 0.006 0.000 0.201 636 K C 0.650 176.975 176.600 -0.458 0.000 1.423 636 K CA 0.243 56.348 56.287 -0.303 0.000 1.010 636 K CB 0.451 32.788 32.500 -0.271 0.000 1.409 636 K HN 0.349 nan 8.250 nan 0.000 0.538 637 E N 1.922 121.983 120.200 -0.231 0.000 1.996 637 E HA 0.298 4.652 4.350 0.006 0.000 0.280 637 E C 0.705 177.214 176.600 -0.153 0.000 1.092 637 E CA -0.050 56.269 56.400 -0.134 0.000 0.862 637 E CB 1.028 30.716 29.700 -0.019 0.000 1.066 637 E HN 0.213 nan 8.360 nan 0.000 0.396 638 A N 3.360 126.038 122.820 -0.236 0.000 1.948 638 A HA -0.193 4.131 4.320 0.006 0.000 0.220 638 A C 1.934 179.356 177.584 -0.270 0.000 1.177 638 A CA 2.121 53.913 52.037 -0.408 0.000 0.636 638 A CB -0.163 18.346 19.000 -0.820 0.000 0.815 638 A HN 0.605 nan 8.150 nan 0.000 0.449 639 S N -4.031 111.565 115.700 -0.172 0.000 4.772 639 S HA 0.452 4.925 4.470 0.006 0.000 0.177 639 S C 0.542 175.087 174.600 -0.092 0.000 1.117 639 S CA 1.364 59.502 58.200 -0.104 0.000 1.250 639 S CB -0.075 63.075 63.200 -0.083 0.000 1.749 639 S HN 2.251 nan 8.310 nan 0.000 0.589 640 G N 0.587 109.339 108.800 -0.080 0.000 2.895 640 G HA2 -0.012 3.952 3.960 0.006 0.000 0.686 640 G HA3 -0.012 3.952 3.960 0.006 0.000 0.686 640 G C 0.143 174.975 174.900 -0.114 0.000 1.108 640 G CA 0.413 45.462 45.100 -0.085 0.000 0.761 640 G HN 1.309 nan 8.290 nan 0.000 0.611 641 T N -0.898 113.582 114.554 -0.122 0.000 3.009 641 T HA 0.405 4.759 4.350 0.006 0.000 0.267 641 T C 2.184 176.750 174.700 -0.223 0.000 0.942 641 T CA 1.140 63.144 62.100 -0.160 0.000 0.883 641 T CB 0.788 69.575 68.868 -0.135 0.000 1.192 641 T HN 1.702 nan 8.240 nan 0.000 0.524 642 G N 2.963 111.645 108.800 -0.197 0.000 2.421 642 G HA2 -0.159 3.805 3.960 0.006 0.000 0.217 642 G HA3 -0.159 3.805 3.960 0.006 0.000 0.217 642 G C 1.454 176.241 174.900 -0.189 0.000 1.143 642 G CA 0.936 45.905 45.100 -0.219 0.000 0.784 642 G HN 0.656 nan 8.290 nan 0.000 0.541 643 N N 1.184 119.783 118.700 -0.167 0.000 2.149 643 N HA -0.163 4.580 4.740 0.006 0.000 0.188 643 N C 1.996 177.398 175.510 -0.179 0.000 1.019 643 N CA 1.697 54.653 53.050 -0.157 0.000 0.857 643 N CB -0.572 37.812 38.487 -0.171 0.000 0.997 643 N HN 0.379 nan 8.380 nan 0.000 0.426 644 M N 0.010 119.474 119.600 -0.228 0.000 2.229 644 M HA -0.000 4.483 4.480 0.006 0.000 0.264 644 M C 1.781 178.025 176.300 -0.094 0.000 1.063 644 M CA 1.379 56.561 55.300 -0.196 0.000 1.114 644 M CB -0.191 32.296 32.600 -0.189 0.000 1.387 644 M HN 0.147 nan 8.290 nan 0.000 0.420 645 K N 0.748 121.052 120.400 -0.160 0.000 2.007 645 K HA -0.023 4.301 4.320 0.006 0.000 0.206 645 K C 1.885 178.461 176.600 -0.040 0.000 1.047 645 K CA 1.106 57.315 56.287 -0.130 0.000 0.937 645 K CB -0.344 31.940 32.500 -0.360 0.000 0.718 645 K HN 0.232 nan 8.250 nan 0.000 0.438 646 L N 0.973 122.157 121.223 -0.064 0.000 2.079 646 L HA -0.224 4.120 4.340 0.006 0.000 0.210 646 L C 2.592 179.465 176.870 0.006 0.000 1.081 646 L CA 1.092 55.922 54.840 -0.016 0.000 0.752 646 L CB -0.566 41.475 42.059 -0.030 0.000 0.896 646 L HN 0.272 nan 8.230 nan 0.000 0.433 647 A N 0.238 123.051 122.820 -0.012 0.000 1.832 647 A HA -0.167 4.157 4.320 0.006 0.000 0.214 647 A C 2.154 179.769 177.584 0.052 0.000 1.200 647 A CA 1.342 53.386 52.037 0.012 0.000 0.610 647 A CB -0.870 18.123 19.000 -0.011 0.000 0.842 647 A HN 0.326 nan 8.150 nan 0.000 0.444 648 L N 0.229 121.491 121.223 0.065 0.000 2.263 648 L HA -0.205 4.139 4.340 0.006 0.000 0.216 648 L C 1.692 178.604 176.870 0.069 0.000 1.111 648 L CA 1.038 55.928 54.840 0.083 0.000 0.773 648 L CB -0.476 41.644 42.059 0.102 0.000 0.906 648 L HN 0.438 nan 8.230 nan 0.000 0.439 649 N N -0.321 118.415 118.700 0.060 0.000 2.336 649 N HA 0.061 4.805 4.740 0.006 0.000 0.189 649 N C 1.080 176.614 175.510 0.040 0.000 1.113 649 N CA 0.978 54.047 53.050 0.032 0.000 0.858 649 N CB 0.999 39.508 38.487 0.036 0.000 0.970 649 N HN 0.387 nan 8.380 nan 0.000 0.471 650 G N 0.251 109.123 108.800 0.120 0.000 2.186 650 G HA2 -0.051 3.913 3.960 0.006 0.000 0.130 650 G HA3 -0.051 3.913 3.960 0.006 0.000 0.130 650 G C -0.347 174.635 174.900 0.138 0.000 1.031 650 G CA -0.087 45.133 45.100 0.201 0.000 0.697 650 G HN 0.460 nan 8.290 nan 0.000 0.494 651 A N 0.604 123.473 122.820 0.083 0.000 2.331 651 A HA 0.826 5.149 4.320 0.006 0.000 0.320 651 A C -0.120 177.477 177.584 0.021 0.000 1.138 651 A CA -0.686 51.397 52.037 0.077 0.000 0.790 651 A CB 1.161 20.206 19.000 0.075 0.000 1.206 651 A HN 0.590 nan 8.150 nan 0.000 0.470 652 L N 2.150 123.368 121.223 -0.007 0.000 2.349 652 L HA 0.394 4.738 4.340 0.006 0.000 0.275 652 L C 0.731 177.653 176.870 0.087 0.000 1.115 652 L CA 0.465 55.299 54.840 -0.010 0.000 0.820 652 L CB 0.725 42.714 42.059 -0.117 0.000 1.135 652 L HN 0.726 nan 8.230 nan 0.000 0.445 653 T N 2.911 117.535 114.554 0.116 0.000 2.845 653 T HA 0.416 4.770 4.350 0.006 0.000 0.288 653 T C 0.330 175.175 174.700 0.241 0.000 0.980 653 T CA -0.300 61.877 62.100 0.129 0.000 1.071 653 T CB 1.406 70.317 68.868 0.072 0.000 0.941 653 T HN 0.285 nan 8.240 nan 0.000 0.487 654 V N 3.487 123.538 119.914 0.228 0.000 2.225 654 V HA 0.589 4.713 4.120 0.006 0.000 0.264 654 V C 0.670 177.073 176.094 0.515 0.000 1.067 654 V CA -0.505 62.010 62.300 0.357 0.000 0.903 654 V CB 0.439 32.369 31.823 0.178 0.000 1.136 654 V HN 1.039 nan 8.190 nan 0.000 0.456 655 G N 1.499 110.520 108.800 0.368 0.000 2.630 655 G HA2 0.717 4.681 3.960 0.006 0.000 0.296 655 G HA3 0.717 4.681 3.960 0.006 0.000 0.296 655 G C -0.190 174.548 174.900 -0.270 0.000 1.285 655 G CA -0.252 44.913 45.100 0.110 0.000 0.958 655 G HN 0.462 nan 8.290 nan 0.000 0.479 656 T N -1.759 112.525 114.554 -0.449 0.000 2.862 656 T HA 0.547 4.901 4.350 0.006 0.000 0.276 656 T C 0.322 174.870 174.700 -0.253 0.000 0.974 656 T CA -0.733 61.045 62.100 -0.537 0.000 0.966 656 T CB 1.115 69.684 68.868 -0.499 0.000 1.072 656 T HN 0.288 nan 8.240 nan 0.000 0.538 657 L N 2.076 123.177 121.223 -0.202 0.000 2.401 657 L HA 0.431 4.774 4.340 0.006 0.000 0.283 657 L C -0.288 176.527 176.870 -0.092 0.000 1.151 657 L CA 0.186 54.957 54.840 -0.115 0.000 0.942 657 L CB -0.523 41.485 42.059 -0.085 0.000 1.283 657 L HN 0.790 nan 8.230 nan 0.000 0.442 658 D N 1.614 121.964 120.400 -0.082 0.000 2.706 658 D HA 0.504 5.148 4.640 0.006 0.000 0.227 658 D C 0.205 176.470 176.300 -0.058 0.000 1.233 658 D CA 0.770 54.731 54.000 -0.064 0.000 0.768 658 D CB 1.656 42.412 40.800 -0.074 0.000 1.490 658 D HN 0.498 nan 8.370 nan 0.000 0.458 659 G N 1.309 110.085 108.800 -0.039 0.000 2.581 659 G HA2 -0.119 3.844 3.960 0.006 0.000 0.291 659 G HA3 -0.119 3.844 3.960 0.006 0.000 0.291 659 G C 1.222 176.099 174.900 -0.038 0.000 1.277 659 G CA 1.033 46.109 45.100 -0.040 0.000 0.959 659 G HN 1.306 nan 8.290 nan 0.000 0.554 660 A N -0.576 122.202 122.820 -0.070 0.000 2.024 660 A HA -0.101 4.223 4.320 0.006 0.000 0.220 660 A C 2.255 179.756 177.584 -0.139 0.000 1.164 660 A CA 2.239 54.209 52.037 -0.111 0.000 0.643 660 A CB -0.549 18.306 19.000 -0.242 0.000 0.806 660 A HN 0.699 nan 8.150 nan 0.000 0.451 661 N N 0.301 118.928 118.700 -0.121 0.000 2.091 661 N HA -0.177 4.567 4.740 0.006 0.000 0.193 661 N C 1.765 177.243 175.510 -0.053 0.000 1.021 661 N CA 1.864 54.855 53.050 -0.099 0.000 0.862 661 N CB -0.421 38.014 38.487 -0.087 0.000 1.018 661 N HN 0.322 nan 8.380 nan 0.000 0.429 662 V N 1.681 121.575 119.914 -0.033 0.000 2.287 662 V HA -0.221 3.902 4.120 0.006 0.000 0.248 662 V C 2.067 178.182 176.094 0.034 0.000 1.053 662 V CA 1.729 64.026 62.300 -0.005 0.000 1.027 662 V CB -0.508 31.316 31.823 0.001 0.000 0.646 662 V HN 0.349 nan 8.190 nan 0.000 0.447 663 E N -0.304 119.941 120.200 0.075 0.000 2.152 663 E HA -0.110 4.244 4.350 0.006 0.000 0.192 663 E C 2.197 178.968 176.600 0.284 0.000 0.983 663 E CA 1.104 57.622 56.400 0.196 0.000 0.818 663 E CB -0.138 29.756 29.700 0.325 0.000 0.758 663 E HN 0.558 nan 8.360 nan 0.000 0.467 664 I N 1.212 121.866 120.570 0.140 0.000 2.179 664 I HA -0.264 3.910 4.170 0.006 0.000 0.242 664 I C 2.574 178.750 176.117 0.099 0.000 1.088 664 I CA 0.950 62.323 61.300 0.121 0.000 1.357 664 I CB -0.338 37.595 38.000 -0.112 0.000 1.051 664 I HN 0.092 nan 8.210 nan 0.000 0.409 665 A N 0.446 123.290 122.820 0.040 0.000 1.902 665 A HA -0.276 4.048 4.320 0.006 0.000 0.217 665 A C 2.327 179.924 177.584 0.022 0.000 1.181 665 A CA 1.975 54.022 52.037 0.017 0.000 0.623 665 A CB -0.706 18.293 19.000 -0.001 0.000 0.818 665 A HN 0.553 nan 8.150 nan 0.000 0.443 666 E N -0.420 119.805 120.200 0.040 0.000 2.153 666 E HA -0.231 4.123 4.350 0.006 0.000 0.194 666 E C 1.647 178.265 176.600 0.031 0.000 0.988 666 E CA 1.253 57.672 56.400 0.030 0.000 0.811 666 E CB -0.028 29.695 29.700 0.039 0.000 0.746 666 E HN 0.412 nan 8.360 nan 0.000 0.466 667 K N 0.468 120.909 120.400 0.068 0.000 2.020 667 K HA -0.058 4.265 4.320 0.006 0.000 0.206 667 K C 2.409 179.027 176.600 0.030 0.000 1.038 667 K CA 1.304 57.623 56.287 0.053 0.000 0.947 667 K CB -0.845 31.721 32.500 0.110 0.000 0.744 667 K HN 0.265 nan 8.250 nan 0.000 0.442 668 V N -0.867 119.073 119.914 0.043 0.000 2.867 668 V HA 0.084 4.208 4.120 0.006 0.000 0.260 668 V C 0.782 176.859 176.094 -0.028 0.000 1.099 668 V CA 0.906 63.209 62.300 0.004 0.000 1.122 668 V CB -1.550 30.274 31.823 0.002 0.000 0.708 668 V HN 0.454 nan 8.190 nan 0.000 0.490 669 G N 1.695 110.480 108.800 -0.024 0.000 3.295 669 G HA2 -0.141 3.823 3.960 0.006 0.000 0.686 669 G HA3 -0.141 3.823 3.960 0.006 0.000 0.686 669 G C 0.026 174.888 174.900 -0.064 0.000 0.958 669 G CA 0.274 45.350 45.100 -0.041 0.000 0.787 669 G HN 1.071 nan 8.290 nan 0.000 0.523 670 E N 1.128 121.290 120.200 -0.063 0.000 2.324 670 E HA -0.249 4.104 4.350 0.006 0.000 0.205 670 E C 1.584 178.101 176.600 -0.139 0.000 1.031 670 E CA 2.424 58.771 56.400 -0.088 0.000 0.836 670 E CB -0.186 29.474 29.700 -0.067 0.000 0.742 670 E HN 0.825 nan 8.360 nan 0.000 0.491 671 E N 0.338 120.462 120.200 -0.127 0.000 2.358 671 E HA -0.006 4.348 4.350 0.006 0.000 0.195 671 E C 0.438 176.915 176.600 -0.205 0.000 1.010 671 E CA 0.876 57.185 56.400 -0.152 0.000 0.856 671 E CB -0.011 29.625 29.700 -0.107 0.000 0.795 671 E HN 0.381 nan 8.360 nan 0.000 0.504 672 N N 0.504 119.090 118.700 -0.190 0.000 2.401 672 N HA 0.260 5.004 4.740 0.006 0.000 0.264 672 N C -0.588 174.808 175.510 -0.190 0.000 1.238 672 N CA 0.041 52.971 53.050 -0.200 0.000 0.889 672 N CB 1.430 39.830 38.487 -0.145 0.000 1.196 672 N HN 0.123 nan 8.380 nan 0.000 0.511 673 I N -0.666 119.747 120.570 -0.261 0.000 2.908 673 I HA 0.377 4.551 4.170 0.006 0.000 0.300 673 I C -1.636 174.351 176.117 -0.216 0.000 1.385 673 I CA -0.810 60.422 61.300 -0.113 0.000 1.004 673 I CB 1.922 39.907 38.000 -0.025 0.000 1.309 673 I HN -0.257 nan 8.210 nan 0.000 0.449 674 F N 7.250 127.232 119.950 0.054 0.000 2.363 674 F HA 0.447 4.978 4.527 0.007 0.000 0.366 674 F C -0.034 175.892 175.800 0.209 0.000 1.083 674 F CA -0.566 57.505 58.000 0.119 0.000 1.176 674 F CB 0.427 39.504 39.000 0.128 0.000 1.432 674 F HN 0.029 nan 8.300 nan 0.000 0.482 675 I N 3.196 123.916 120.570 0.249 0.000 2.713 675 I HA 0.453 4.627 4.170 0.006 0.000 0.300 675 I C 0.075 176.359 176.117 0.278 0.000 1.009 675 I CA -0.763 60.634 61.300 0.162 0.000 1.305 675 I CB 0.699 38.713 38.000 0.023 0.000 1.430 675 I HN 0.475 nan 8.210 nan 0.000 0.546 676 F N 0.262 120.254 119.950 0.071 0.000 3.122 676 F HA 0.727 5.258 4.527 0.006 0.000 0.325 676 F C -0.033 175.790 175.800 0.039 0.000 1.162 676 F CA -0.434 57.604 58.000 0.063 0.000 0.876 676 F CB 0.578 39.645 39.000 0.113 0.000 1.429 676 F HN 0.861 nan 8.300 nan 0.000 0.484 677 G N 0.417 109.349 108.800 0.220 0.000 2.796 677 G HA2 0.006 3.969 3.960 0.006 0.000 0.226 677 G HA3 0.006 3.969 3.960 0.006 0.000 0.226 677 G C -1.387 173.484 174.900 -0.049 0.000 1.381 677 G CA -0.210 44.953 45.100 0.105 0.000 0.867 677 G HN 1.249 nan 8.290 nan 0.000 0.552 678 H N 0.357 119.407 119.070 -0.033 0.000 2.629 678 H HA 0.538 5.098 4.556 0.006 0.000 0.357 678 H C 1.435 176.719 175.328 -0.073 0.000 1.121 678 H CA 0.634 56.658 56.048 -0.040 0.000 1.406 678 H CB 0.946 30.669 29.762 -0.064 0.000 1.456 678 H HN 0.895 nan 8.280 nan 0.000 0.579 679 T N -1.224 113.352 114.554 0.037 0.000 2.770 679 T HA 0.107 4.461 4.350 0.006 0.000 0.281 679 T C 1.550 176.252 174.700 0.003 0.000 0.981 679 T CA -0.600 61.496 62.100 -0.006 0.000 0.955 679 T CB 0.532 69.391 68.868 -0.014 0.000 1.060 679 T HN 0.270 nan 8.240 nan 0.000 0.531 680 V N 1.181 121.085 119.914 -0.017 0.000 2.282 680 V HA -0.141 3.983 4.120 0.006 0.000 0.249 680 V C 2.961 179.045 176.094 -0.016 0.000 1.057 680 V CA 1.814 64.101 62.300 -0.021 0.000 1.032 680 V CB -0.865 30.944 31.823 -0.024 0.000 0.645 680 V HN 0.830 nan 8.190 nan 0.000 0.447 681 K N -0.262 120.135 120.400 -0.006 0.000 2.097 681 K HA -0.138 4.185 4.320 0.006 0.000 0.205 681 K C 2.283 178.889 176.600 0.011 0.000 1.050 681 K CA 1.404 57.690 56.287 -0.002 0.000 0.938 681 K CB -0.289 32.212 32.500 0.002 0.000 0.718 681 K HN 0.589 nan 8.250 nan 0.000 0.442 682 Q N 0.063 119.883 119.800 0.034 0.000 2.061 682 Q HA -0.139 4.204 4.340 0.006 0.000 0.204 682 Q C 2.153 178.168 176.000 0.025 0.000 0.984 682 Q CA 1.467 57.317 55.803 0.079 0.000 0.846 682 Q CB -0.168 28.671 28.738 0.169 0.000 0.902 682 Q HN 0.033 nan 8.270 nan 0.000 0.421 683 V N 1.454 121.358 119.914 -0.016 0.000 2.255 683 V HA -0.317 3.806 4.120 0.006 0.000 0.247 683 V C 2.143 178.173 176.094 -0.106 0.000 1.051 683 V CA 2.010 64.243 62.300 -0.112 0.000 1.018 683 V CB -0.454 31.313 31.823 -0.094 0.000 0.641 683 V HN 0.341 nan 8.190 nan 0.000 0.445 684 K N -0.039 120.325 120.400 -0.060 0.000 2.032 684 K HA -0.189 4.134 4.320 0.006 0.000 0.209 684 K C 2.308 178.888 176.600 -0.033 0.000 1.048 684 K CA 1.552 57.810 56.287 -0.048 0.000 0.927 684 K CB -0.534 31.946 32.500 -0.033 0.000 0.712 684 K HN 0.484 nan 8.250 nan 0.000 0.441 685 A N 1.933 124.744 122.820 -0.015 0.000 1.859 685 A HA -0.229 4.094 4.320 0.006 0.000 0.217 685 A C 2.197 179.788 177.584 0.012 0.000 1.198 685 A CA 1.772 53.813 52.037 0.007 0.000 0.629 685 A CB -0.898 18.119 19.000 0.029 0.000 0.830 685 A HN 0.221 nan 8.150 nan 0.000 0.446 686 I N -0.311 120.256 120.570 -0.005 0.000 2.113 686 I HA -0.340 3.833 4.170 0.006 0.000 0.242 686 I C 2.473 178.608 176.117 0.029 0.000 1.064 686 I CA 1.683 62.987 61.300 0.006 0.000 1.320 686 I CB -0.524 37.391 38.000 -0.143 0.000 1.028 686 I HN 0.332 nan 8.210 nan 0.000 0.406 687 L N 0.475 121.681 121.223 -0.029 0.000 2.042 687 L HA -0.237 4.107 4.340 0.006 0.000 0.210 687 L C 2.807 179.697 176.870 0.035 0.000 1.076 687 L CA 1.457 56.305 54.840 0.013 0.000 0.749 687 L CB -0.765 41.270 42.059 -0.039 0.000 0.893 687 L HN 0.283 nan 8.230 nan 0.000 0.432 688 A N 0.066 122.898 122.820 0.018 0.000 1.969 688 A HA -0.161 4.163 4.320 0.006 0.000 0.218 688 A C 2.102 179.708 177.584 0.036 0.000 1.169 688 A CA 1.261 53.310 52.037 0.020 0.000 0.635 688 A CB -0.278 18.728 19.000 0.010 0.000 0.810 688 A HN 0.359 nan 8.150 nan 0.000 0.445 689 K N -0.473 119.960 120.400 0.055 0.000 2.551 689 K HA 0.279 4.602 4.320 0.006 0.000 0.192 689 K C 0.506 177.158 176.600 0.086 0.000 1.027 689 K CA 0.367 56.695 56.287 0.068 0.000 1.059 689 K CB -0.241 32.309 32.500 0.084 0.000 0.831 689 K HN 0.619 nan 8.250 nan 0.000 0.508 690 G N 2.345 111.199 108.800 0.090 0.000 2.815 690 G HA2 -0.294 3.670 3.960 0.006 0.000 0.234 690 G HA3 -0.294 3.670 3.960 0.006 0.000 0.234 690 G C -0.863 174.135 174.900 0.163 0.000 0.971 690 G CA -0.597 44.559 45.100 0.094 0.000 1.124 690 G HN 0.341 nan 8.290 nan 0.000 0.435 691 Y N 2.501 122.822 120.300 0.036 0.000 2.402 691 Y HA 0.547 5.101 4.550 0.006 0.000 0.333 691 Y C -0.030 175.916 175.900 0.076 0.000 1.076 691 Y CA -1.217 56.922 58.100 0.064 0.000 1.299 691 Y CB 1.606 40.055 38.460 -0.019 0.000 1.197 691 Y HN 0.405 nan 8.280 nan 0.000 0.517 692 D N 9.459 129.764 120.400 -0.158 0.000 2.446 692 D HA 0.272 4.916 4.640 0.006 0.000 0.251 692 D C -1.977 174.149 176.300 -0.290 0.000 1.137 692 D CA -2.473 51.382 54.000 -0.242 0.000 0.890 692 D CB 1.676 42.463 40.800 -0.022 0.000 1.071 692 D HN 0.361 nan 8.370 nan 0.000 0.528 693 P HA -0.185 nan 4.420 nan 0.000 0.215 693 P C 1.576 178.876 177.300 0.000 0.000 1.157 693 P CA 0.678 63.560 63.100 -0.364 0.000 0.874 693 P CB 0.494 31.990 31.700 -0.340 0.000 0.790 694 V N 1.023 120.916 119.914 -0.035 0.000 2.332 694 V HA -0.238 3.886 4.120 0.006 0.000 0.248 694 V C 2.730 178.862 176.094 0.063 0.000 1.055 694 V CA 1.913 64.221 62.300 0.015 0.000 1.038 694 V CB -1.203 30.610 31.823 -0.015 0.000 0.651 694 V HN 0.148 nan 8.190 nan 0.000 0.450 695 K N -1.258 119.186 120.400 0.074 0.000 2.063 695 K HA -0.237 4.087 4.320 0.006 0.000 0.208 695 K C 1.990 178.640 176.600 0.084 0.000 1.048 695 K CA 2.170 58.489 56.287 0.052 0.000 0.928 695 K CB -0.316 32.198 32.500 0.023 0.000 0.713 695 K HN 0.536 nan 8.250 nan 0.000 0.442 696 W N 1.286 122.602 121.300 0.027 0.000 2.388 696 W HA -0.062 4.602 4.660 0.007 0.000 0.294 696 W C 2.407 178.960 176.519 0.057 0.000 1.212 696 W CA 0.855 58.248 57.345 0.081 0.000 1.271 696 W CB -0.216 29.337 29.460 0.154 0.000 1.126 696 W HN 0.107 nan 8.180 nan 0.000 0.535 697 R N 1.048 121.701 120.500 0.256 0.000 2.070 697 R HA -0.181 4.163 4.340 0.006 0.000 0.233 697 R C 2.015 178.364 176.300 0.081 0.000 1.137 697 R CA 1.510 57.684 56.100 0.125 0.000 0.945 697 R CB -0.376 29.960 30.300 0.060 0.000 0.845 697 R HN -0.050 nan 8.270 nan 0.000 0.430 698 K N 0.849 121.286 120.400 0.061 0.000 2.152 698 K HA -0.124 4.200 4.320 0.006 0.000 0.206 698 K C 1.917 178.537 176.600 0.033 0.000 1.048 698 K CA 1.118 57.424 56.287 0.033 0.000 0.933 698 K CB -0.153 32.357 32.500 0.017 0.000 0.721 698 K HN 0.184 nan 8.250 nan 0.000 0.447 699 K N 0.981 121.404 120.400 0.039 0.000 2.148 699 K HA -0.060 4.264 4.320 0.006 0.000 0.204 699 K C 0.532 177.171 176.600 0.065 0.000 1.050 699 K CA 0.575 56.878 56.287 0.027 0.000 0.942 699 K CB -0.235 32.257 32.500 -0.014 0.000 0.724 699 K HN 0.128 nan 8.250 nan 0.000 0.446 700 D N 1.651 122.113 120.400 0.105 0.000 2.396 700 D HA 0.003 4.647 4.640 0.006 0.000 0.225 700 D C 0.961 177.309 176.300 0.079 0.000 1.121 700 D CA -0.014 54.064 54.000 0.130 0.000 0.853 700 D CB 1.115 42.041 40.800 0.211 0.000 1.043 700 D HN -0.135 nan 8.370 nan 0.000 0.500 701 K N 2.993 123.435 120.400 0.070 0.000 2.002 701 K HA -0.105 4.219 4.320 0.006 0.000 0.209 701 K C 1.488 178.111 176.600 0.040 0.000 1.048 701 K CA 1.202 57.516 56.287 0.044 0.000 0.930 701 K CB -0.270 32.253 32.500 0.039 0.000 0.714 701 K HN 0.291 nan 8.250 nan 0.000 0.438 702 V N 2.268 122.227 119.914 0.076 0.000 2.332 702 V HA -0.266 3.858 4.120 0.006 0.000 0.248 702 V C 2.589 178.687 176.094 0.006 0.000 1.055 702 V CA 1.720 64.070 62.300 0.084 0.000 1.038 702 V CB -0.681 31.248 31.823 0.176 0.000 0.651 702 V HN 0.307 nan 8.190 nan 0.000 0.450 703 L N 1.248 122.428 121.223 -0.071 0.000 1.994 703 L HA -0.184 4.160 4.340 0.006 0.000 0.208 703 L C 2.176 178.918 176.870 -0.213 0.000 1.071 703 L CA 2.699 57.290 54.840 -0.415 0.000 0.745 703 L CB -1.031 40.745 42.059 -0.473 0.000 0.892 703 L HN 0.488 nan 8.230 nan 0.000 0.431 704 D N -0.461 119.886 120.400 -0.088 0.000 2.092 704 D HA -0.224 4.420 4.640 0.006 0.000 0.193 704 D C 2.065 178.344 176.300 -0.036 0.000 0.994 704 D CA 1.798 55.771 54.000 -0.045 0.000 0.828 704 D CB -0.186 40.608 40.800 -0.009 0.000 0.963 704 D HN 0.467 nan 8.370 nan 0.000 0.450 705 A N -0.040 122.765 122.820 -0.024 0.000 1.883 705 A HA -0.134 4.190 4.320 0.006 0.000 0.217 705 A C 2.630 180.211 177.584 -0.007 0.000 1.186 705 A CA 1.767 53.798 52.037 -0.010 0.000 0.624 705 A CB -1.093 17.906 19.000 -0.002 0.000 0.822 705 A HN 0.253 nan 8.150 nan 0.000 0.444 706 V N -0.433 119.466 119.914 -0.026 0.000 2.407 706 V HA -0.192 3.932 4.120 0.006 0.000 0.248 706 V C 2.484 178.567 176.094 -0.017 0.000 1.055 706 V CA 1.817 64.107 62.300 -0.016 0.000 1.049 706 V CB -0.498 31.293 31.823 -0.054 0.000 0.662 706 V HN 0.507 nan 8.190 nan 0.000 0.455 707 L N -0.202 120.989 121.223 -0.054 0.000 2.093 707 L HA -0.130 4.213 4.340 0.006 0.000 0.208 707 L C 2.336 179.221 176.870 0.024 0.000 1.085 707 L CA 1.844 56.668 54.840 -0.026 0.000 0.755 707 L CB -1.018 41.014 42.059 -0.044 0.000 0.904 707 L HN 0.310 nan 8.230 nan 0.000 0.435 708 K N -0.673 119.738 120.400 0.019 0.000 2.097 708 K HA -0.154 4.170 4.320 0.006 0.000 0.205 708 K C 1.843 178.476 176.600 0.056 0.000 1.050 708 K CA 1.110 57.415 56.287 0.030 0.000 0.938 708 K CB -0.063 32.444 32.500 0.012 0.000 0.718 708 K HN 0.405 nan 8.250 nan 0.000 0.442 709 E N 0.848 121.096 120.200 0.080 0.000 2.130 709 E HA -0.205 4.149 4.350 0.006 0.000 0.196 709 E C 1.971 178.710 176.600 0.232 0.000 0.998 709 E CA 1.022 57.507 56.400 0.141 0.000 0.806 709 E CB -0.132 29.721 29.700 0.256 0.000 0.738 709 E HN 0.299 nan 8.360 nan 0.000 0.459 710 L N 0.631 121.991 121.223 0.229 0.000 2.217 710 L HA -0.129 4.215 4.340 0.006 0.000 0.211 710 L C 1.983 179.022 176.870 0.282 0.000 1.107 710 L CA 0.931 55.953 54.840 0.303 0.000 0.783 710 L CB -0.148 42.007 42.059 0.159 0.000 0.919 710 L HN 0.058 nan 8.230 nan 0.000 0.442 711 E N -0.510 119.777 120.200 0.145 0.000 2.435 711 E HA -0.091 4.263 4.350 0.006 0.000 0.195 711 E C 2.028 178.628 176.600 -0.001 0.000 1.029 711 E CA 0.941 57.380 56.400 0.065 0.000 0.865 711 E CB 0.069 29.794 29.700 0.041 0.000 0.833 711 E HN 0.464 nan 8.360 nan 0.000 0.510 712 S N -0.186 115.523 115.700 0.016 0.000 2.562 712 S HA 0.110 4.584 4.470 0.006 0.000 0.221 712 S C 1.714 176.284 174.600 -0.051 0.000 0.975 712 S CA 0.283 58.464 58.200 -0.032 0.000 0.918 712 S CB 0.129 63.306 63.200 -0.040 0.000 0.772 712 S HN 0.340 nan 8.310 nan 0.000 0.531 713 G N 1.902 110.687 108.800 -0.025 0.000 2.143 713 G HA2 -0.333 3.631 3.960 0.006 0.000 0.248 713 G HA3 -0.333 3.631 3.960 0.006 0.000 0.248 713 G C 0.638 175.509 174.900 -0.047 0.000 0.991 713 G CA 0.573 45.644 45.100 -0.048 0.000 0.689 713 G HN 0.563 nan 8.290 nan 0.000 0.522 714 K N -0.806 119.544 120.400 -0.084 0.000 2.062 714 K HA 0.011 4.335 4.320 0.006 0.000 0.205 714 K C 1.290 177.707 176.600 -0.305 0.000 1.051 714 K CA 1.173 57.303 56.287 -0.262 0.000 0.941 714 K CB -0.062 32.159 32.500 -0.464 0.000 0.719 714 K HN 0.462 nan 8.250 nan 0.000 0.440 715 Y N 0.516 120.896 120.300 0.134 0.000 2.583 715 Y HA 0.123 4.677 4.550 0.006 0.000 0.294 715 Y C 0.250 176.275 175.900 0.209 0.000 1.170 715 Y CA -0.185 58.008 58.100 0.155 0.000 1.265 715 Y CB 0.542 39.062 38.460 0.100 0.000 1.119 715 Y HN 0.055 nan 8.280 nan 0.000 0.522 716 S N -1.227 114.556 115.700 0.139 0.000 2.801 716 S HA 0.052 4.526 4.470 0.006 0.000 0.236 716 S C -0.721 173.871 174.600 -0.013 0.000 0.852 716 S CA -0.647 57.555 58.200 0.003 0.000 1.089 716 S CB -0.829 62.212 63.200 -0.265 0.000 1.376 716 S HN 0.485 nan 8.310 nan 0.000 0.470 717 D N 0.919 121.320 120.400 0.002 0.000 2.894 717 D HA -0.213 4.431 4.640 0.006 0.000 0.216 717 D C 1.159 177.445 176.300 -0.023 0.000 1.245 717 D CA 1.258 55.252 54.000 -0.010 0.000 0.728 717 D CB -1.880 38.924 40.800 0.007 0.000 0.924 717 D HN 1.470 nan 8.370 nan 0.000 0.395 718 G N 1.265 110.042 108.800 -0.039 0.000 2.328 718 G HA2 -0.391 3.572 3.960 0.006 0.000 0.256 718 G HA3 -0.391 3.572 3.960 0.006 0.000 0.256 718 G C 0.142 175.010 174.900 -0.053 0.000 1.014 718 G CA 0.548 45.623 45.100 -0.043 0.000 0.620 718 G HN 0.826 nan 8.290 nan 0.000 0.530 719 D N 1.458 121.825 120.400 -0.056 0.000 2.367 719 D HA 0.307 4.950 4.640 0.006 0.000 0.255 719 D C 1.655 177.875 176.300 -0.133 0.000 1.300 719 D CA -0.030 53.930 54.000 -0.067 0.000 0.959 719 D CB 0.061 40.829 40.800 -0.054 0.000 1.064 719 D HN 0.478 nan 8.370 nan 0.000 0.509 720 K N 2.421 122.713 120.400 -0.179 0.000 2.616 720 K HA -0.077 4.246 4.320 0.006 0.000 0.192 720 K C 0.376 176.690 176.600 -0.477 0.000 1.031 720 K CA 0.498 56.602 56.287 -0.305 0.000 1.004 720 K CB 0.231 32.519 32.500 -0.353 0.000 0.810 720 K HN 0.566 nan 8.250 nan 0.000 0.497 721 H N -1.229 117.787 119.070 -0.091 0.000 3.233 721 H HA 0.257 4.816 4.556 0.006 0.000 0.263 721 H C 1.623 176.857 175.328 -0.158 0.000 1.168 721 H CA 0.202 56.193 56.048 -0.094 0.000 1.159 721 H CB 0.638 30.356 29.762 -0.074 0.000 1.593 721 H HN 0.168 nan 8.280 nan 0.000 0.580 722 A N 1.261 123.945 122.820 -0.227 0.000 1.869 722 A HA -0.206 4.118 4.320 0.006 0.000 0.218 722 A C 1.025 178.427 177.584 -0.303 0.000 1.203 722 A CA 1.557 53.360 52.037 -0.389 0.000 0.638 722 A CB -0.932 17.498 19.000 -0.949 0.000 0.831 722 A HN 0.180 nan 8.150 nan 0.000 0.450 723 F N 0.321 120.345 119.950 0.123 0.000 2.798 723 F HA 0.236 4.767 4.527 0.006 0.000 0.291 723 F C 0.914 176.756 175.800 0.071 0.000 1.174 723 F CA -0.732 57.324 58.000 0.094 0.000 1.392 723 F CB -0.516 38.493 39.000 0.014 0.000 0.966 723 F HN 0.106 nan 8.300 nan 0.000 0.509 724 D N 0.396 120.862 120.400 0.111 0.000 2.221 724 D HA -0.157 4.486 4.640 0.006 0.000 0.204 724 D C 2.063 178.340 176.300 -0.038 0.000 0.982 724 D CA 1.167 55.171 54.000 0.007 0.000 0.857 724 D CB 0.093 40.830 40.800 -0.105 0.000 0.934 724 D HN 0.409 nan 8.370 nan 0.000 0.475 725 Q N -0.246 119.582 119.800 0.045 0.000 1.967 725 Q HA -0.152 4.192 4.340 0.006 0.000 0.202 725 Q C 2.460 178.552 176.000 0.153 0.000 0.985 725 Q CA 1.496 57.347 55.803 0.080 0.000 0.839 725 Q CB -0.390 28.411 28.738 0.106 0.000 0.906 725 Q HN 0.450 nan 8.270 nan 0.000 0.423 726 M N -0.272 119.421 119.600 0.156 0.000 2.117 726 M HA -0.129 4.355 4.480 0.006 0.000 0.262 726 M C 1.927 178.359 176.300 0.220 0.000 1.065 726 M CA 1.441 56.840 55.300 0.165 0.000 1.114 726 M CB -0.505 32.159 32.600 0.107 0.000 1.361 726 M HN 0.033 nan 8.290 nan 0.000 0.408 727 L N 0.665 122.020 121.223 0.219 0.000 2.051 727 L HA -0.233 4.111 4.340 0.006 0.000 0.214 727 L C 2.647 179.684 176.870 0.279 0.000 1.076 727 L CA 2.074 57.051 54.840 0.229 0.000 0.758 727 L CB -1.343 40.861 42.059 0.241 0.000 0.890 727 L HN 0.408 nan 8.230 nan 0.000 0.433 728 H N -1.245 117.894 119.070 0.115 0.000 2.326 728 H HA -0.078 4.482 4.556 0.007 0.000 0.301 728 H C 2.482 177.868 175.328 0.097 0.000 1.081 728 H CA 1.360 57.465 56.048 0.095 0.000 1.334 728 H CB -0.535 29.282 29.762 0.091 0.000 1.385 728 H HN 0.478 nan 8.280 nan 0.000 0.504 729 S N 0.779 116.632 115.700 0.254 0.000 2.365 729 S HA -0.188 4.286 4.470 0.006 0.000 0.225 729 S C 2.122 176.824 174.600 0.171 0.000 1.039 729 S CA 1.743 60.070 58.200 0.211 0.000 1.033 729 S CB -0.884 62.469 63.200 0.254 0.000 0.887 729 S HN 0.624 nan 8.310 nan 0.000 0.447 730 I N -0.324 120.350 120.570 0.172 0.000 3.578 730 I HA 0.384 4.558 4.170 0.006 0.000 0.295 730 I C 1.223 177.364 176.117 0.041 0.000 1.280 730 I CA -0.038 61.329 61.300 0.111 0.000 1.347 730 I CB -0.916 37.145 38.000 0.101 0.000 1.051 730 I HN 0.300 nan 8.210 nan 0.000 0.460 731 G N 1.860 110.685 108.800 0.041 0.000 2.557 731 G HA2 0.205 4.169 3.960 0.006 0.000 0.292 731 G HA3 0.205 4.169 3.960 0.006 0.000 0.292 731 G C 0.806 175.667 174.900 -0.064 0.000 1.237 731 G CA -0.075 45.016 45.100 -0.015 0.000 0.978 731 G HN 0.407 nan 8.290 nan 0.000 0.498 732 K N -0.810 119.538 120.400 -0.086 0.000 2.113 732 K HA -0.234 4.090 4.320 0.006 0.000 0.208 732 K C 2.081 178.621 176.600 -0.099 0.000 1.047 732 K CA 2.105 58.336 56.287 -0.095 0.000 0.928 732 K CB -0.205 32.246 32.500 -0.081 0.000 0.716 732 K HN 0.477 nan 8.250 nan 0.000 0.446 733 Q N 0.753 120.467 119.800 -0.144 0.000 2.084 733 Q HA -0.077 4.267 4.340 0.006 0.000 0.202 733 Q C 2.253 178.221 176.000 -0.054 0.000 0.978 733 Q CA 2.064 57.780 55.803 -0.144 0.000 0.844 733 Q CB -0.825 27.712 28.738 -0.336 0.000 0.898 733 Q HN 0.511 nan 8.270 nan 0.000 0.426 734 G N -0.301 108.488 108.800 -0.019 0.000 2.603 734 G HA2 0.260 4.223 3.960 0.006 0.000 0.214 734 G HA3 0.260 4.223 3.960 0.006 0.000 0.214 734 G C 1.151 176.068 174.900 0.029 0.000 1.140 734 G CA 0.707 45.837 45.100 0.049 0.000 0.800 734 G HN 0.680 nan 8.290 nan 0.000 0.533 735 G N 0.223 109.013 108.800 -0.016 0.000 2.320 735 G HA2 -0.306 3.658 3.960 0.006 0.000 0.242 735 G HA3 -0.306 3.658 3.960 0.006 0.000 0.242 735 G C 0.440 175.322 174.900 -0.030 0.000 1.033 735 G CA 0.838 45.910 45.100 -0.047 0.000 0.620 735 G HN 1.284 nan 8.290 nan 0.000 0.517 736 D N -0.296 120.136 120.400 0.054 0.000 2.760 736 D HA -0.122 4.522 4.640 0.006 0.000 0.244 736 D C -0.410 175.982 176.300 0.153 0.000 1.123 736 D CA 1.216 55.297 54.000 0.136 0.000 0.719 736 D CB -0.560 40.318 40.800 0.131 0.000 1.045 736 D HN 0.450 nan 8.370 nan 0.000 0.426 737 P HA -0.114 nan 4.420 nan 0.000 0.242 737 P C 0.495 177.469 177.300 -0.544 0.000 1.198 737 P CA 0.779 63.721 63.100 -0.264 0.000 0.756 737 P CB -0.215 31.255 31.700 -0.384 0.000 0.911 738 Y N -0.508 119.837 120.300 0.074 0.000 2.500 738 Y HA 0.300 4.854 4.550 0.007 0.000 0.246 738 Y C 1.397 177.252 175.900 -0.075 0.000 1.146 738 Y CA -0.636 57.476 58.100 0.020 0.000 1.230 738 Y CB -0.152 38.369 38.460 0.102 0.000 1.214 738 Y HN -0.283 nan 8.280 nan 0.000 0.526 739 L N -0.976 120.228 121.223 -0.032 0.000 3.677 739 L HA -0.314 4.030 4.340 0.006 0.000 0.464 739 L C 0.716 177.522 176.870 -0.107 0.000 1.278 739 L CA -0.215 54.490 54.840 -0.225 0.000 0.806 739 L CB -2.360 39.321 42.059 -0.630 0.000 1.610 739 L HN 0.057 nan 8.230 nan 0.000 0.867 740 V N -0.714 119.195 119.914 -0.010 0.000 2.343 740 V HA -0.286 3.838 4.120 0.006 0.000 0.247 740 V C 2.549 178.664 176.094 0.035 0.000 1.051 740 V CA 2.373 64.653 62.300 -0.034 0.000 1.036 740 V CB -0.268 31.458 31.823 -0.160 0.000 0.654 740 V HN 0.548 nan 8.190 nan 0.000 0.451 741 M N 0.091 119.706 119.600 0.024 0.000 2.065 741 M HA -0.153 4.331 4.480 0.006 0.000 0.259 741 M C 2.505 178.795 176.300 -0.017 0.000 1.071 741 M CA 2.406 57.740 55.300 0.057 0.000 1.109 741 M CB -1.586 31.062 32.600 0.080 0.000 1.313 741 M HN 0.396 nan 8.290 nan 0.000 0.408 742 A N 0.065 122.615 122.820 -0.450 0.000 1.948 742 A HA -0.190 4.134 4.320 0.006 0.000 0.220 742 A C 1.611 179.120 177.584 -0.125 0.000 1.177 742 A CA 2.176 53.655 52.037 -0.930 0.000 0.636 742 A CB -0.704 17.416 19.000 -1.467 0.000 0.815 742 A HN 0.488 nan 8.150 nan 0.000 0.449 743 D N -2.227 118.201 120.400 0.047 0.000 2.349 743 D HA 0.147 4.791 4.640 0.006 0.000 0.214 743 D C 1.107 177.603 176.300 0.327 0.000 1.063 743 D CA -0.178 53.981 54.000 0.264 0.000 0.847 743 D CB -0.178 40.766 40.800 0.240 0.000 0.933 743 D HN 0.427 nan 8.370 nan 0.000 0.513 744 F N 2.464 122.518 119.950 0.174 0.000 2.026 744 F HA -0.218 4.313 4.527 0.006 0.000 0.296 744 F C 2.229 178.142 175.800 0.188 0.000 1.133 744 F CA 1.935 60.049 58.000 0.190 0.000 1.188 744 F CB -0.399 38.686 39.000 0.141 0.000 0.968 744 F HN -0.007 nan 8.300 nan 0.000 0.476 745 A N 0.553 123.447 122.820 0.124 0.000 1.917 745 A HA -0.145 4.179 4.320 0.006 0.000 0.219 745 A C 2.417 179.962 177.584 -0.066 0.000 1.182 745 A CA 2.289 54.309 52.037 -0.029 0.000 0.633 745 A CB -1.726 17.398 19.000 0.206 0.000 0.819 745 A HN 0.636 nan 8.150 nan 0.000 0.448 746 A N -1.291 121.584 122.820 0.092 0.000 1.865 746 A HA -0.178 4.146 4.320 0.006 0.000 0.217 746 A C 2.179 179.743 177.584 -0.032 0.000 1.191 746 A CA 1.911 54.025 52.037 0.128 0.000 0.623 746 A CB -0.962 18.215 19.000 0.295 0.000 0.826 746 A HN 0.778 nan 8.150 nan 0.000 0.444 747 Y N 0.912 121.013 120.300 -0.330 0.000 2.128 747 Y HA -0.190 4.364 4.550 0.006 0.000 0.284 747 Y C 2.407 177.916 175.900 -0.651 0.000 1.154 747 Y CA 1.645 59.194 58.100 -0.918 0.000 1.149 747 Y CB -0.733 37.369 38.460 -0.596 0.000 0.976 747 Y HN 0.061 nan 8.280 nan 0.000 0.505 748 V N 0.781 120.290 119.914 -0.674 0.000 2.343 748 V HA -0.304 3.820 4.120 0.006 0.000 0.247 748 V C 2.452 178.295 176.094 -0.418 0.000 1.051 748 V CA 2.274 64.168 62.300 -0.676 0.000 1.036 748 V CB -0.734 30.659 31.823 -0.718 0.000 0.654 748 V HN 0.474 nan 8.190 nan 0.000 0.451 749 E N 0.348 120.382 120.200 -0.278 0.000 2.031 749 E HA -0.247 4.107 4.350 0.006 0.000 0.193 749 E C 2.302 178.835 176.600 -0.112 0.000 0.994 749 E CA 1.463 57.780 56.400 -0.138 0.000 0.800 749 E CB -0.251 29.419 29.700 -0.050 0.000 0.752 749 E HN 0.528 nan 8.360 nan 0.000 0.447 750 A N 1.235 123.977 122.820 -0.129 0.000 1.892 750 A HA -0.265 4.059 4.320 0.006 0.000 0.218 750 A C 2.168 179.661 177.584 -0.152 0.000 1.188 750 A CA 1.785 53.809 52.037 -0.021 0.000 0.631 750 A CB -0.631 18.339 19.000 -0.051 0.000 0.822 750 A HN 0.321 nan 8.150 nan 0.000 0.447 751 Q N -0.275 119.313 119.800 -0.354 0.000 2.084 751 Q HA -0.170 4.174 4.340 0.006 0.000 0.202 751 Q C 2.005 177.865 176.000 -0.233 0.000 0.978 751 Q CA 1.745 57.324 55.803 -0.372 0.000 0.844 751 Q CB -0.390 28.051 28.738 -0.495 0.000 0.898 751 Q HN 0.732 nan 8.270 nan 0.000 0.426 752 K N 0.570 120.865 120.400 -0.174 0.000 2.211 752 K HA -0.195 4.129 4.320 0.006 0.000 0.204 752 K C 2.151 178.739 176.600 -0.020 0.000 1.047 752 K CA 1.204 57.437 56.287 -0.090 0.000 0.935 752 K CB 0.013 32.471 32.500 -0.070 0.000 0.728 752 K HN 0.285 nan 8.250 nan 0.000 0.452 753 Q N -0.008 119.811 119.800 0.031 0.000 2.123 753 Q HA -0.086 4.257 4.340 0.006 0.000 0.199 753 Q C 2.079 178.197 176.000 0.197 0.000 0.966 753 Q CA 0.949 56.863 55.803 0.185 0.000 0.845 753 Q CB 0.075 29.048 28.738 0.391 0.000 0.907 753 Q HN 0.063 nan 8.270 nan 0.000 0.439 754 V N 1.738 121.609 119.914 -0.072 0.000 2.380 754 V HA -0.328 3.796 4.120 0.006 0.000 0.251 754 V C 1.230 177.352 176.094 0.046 0.000 1.063 754 V CA 2.274 64.489 62.300 -0.141 0.000 1.055 754 V CB -0.610 30.984 31.823 -0.383 0.000 0.657 754 V HN 0.381 nan 8.190 nan 0.000 0.455 755 D N -0.141 120.247 120.400 -0.020 0.000 2.092 755 D HA -0.159 4.485 4.640 0.006 0.000 0.193 755 D C 2.104 178.450 176.300 0.077 0.000 0.994 755 D CA 1.623 55.617 54.000 -0.009 0.000 0.828 755 D CB -0.435 40.348 40.800 -0.028 0.000 0.963 755 D HN 0.297 nan 8.370 nan 0.000 0.450 756 V N 0.756 120.731 119.914 0.102 0.000 2.231 756 V HA -0.248 3.876 4.120 0.006 0.000 0.248 756 V C 2.360 178.555 176.094 0.167 0.000 1.054 756 V CA 1.511 63.880 62.300 0.116 0.000 1.015 756 V CB -0.720 31.172 31.823 0.116 0.000 0.638 756 V HN 0.183 nan 8.190 nan 0.000 0.444 757 L N -0.542 120.852 121.223 0.286 0.000 2.012 757 L HA -0.231 4.113 4.340 0.006 0.000 0.210 757 L C 2.312 179.438 176.870 0.426 0.000 1.073 757 L CA 2.190 57.273 54.840 0.405 0.000 0.748 757 L CB -1.070 41.368 42.059 0.632 0.000 0.891 757 L HN 0.446 nan 8.230 nan 0.000 0.431 758 Y N 0.284 120.673 120.300 0.148 0.000 2.207 758 Y HA -0.236 4.317 4.550 0.007 0.000 0.287 758 Y C 2.665 178.432 175.900 -0.222 0.000 1.156 758 Y CA 1.779 59.626 58.100 -0.422 0.000 1.182 758 Y CB -0.113 37.827 38.460 -0.867 0.000 0.979 758 Y HN 0.190 nan 8.280 nan 0.000 0.521 759 R N -0.263 120.219 120.500 -0.029 0.000 2.081 759 R HA -0.146 4.198 4.340 0.006 0.000 0.235 759 R C 0.530 176.783 176.300 -0.078 0.000 1.131 759 R CA 1.228 57.294 56.100 -0.055 0.000 0.960 759 R CB -0.550 29.756 30.300 0.010 0.000 0.856 759 R HN 0.233 nan 8.270 nan 0.000 0.436 760 D N 1.679 122.075 120.400 -0.007 0.000 2.416 760 D HA -0.057 4.587 4.640 0.006 0.000 0.240 760 D C 0.908 177.207 176.300 -0.003 0.000 1.250 760 D CA 0.211 54.217 54.000 0.010 0.000 0.967 760 D CB 0.782 41.616 40.800 0.057 0.000 1.059 760 D HN 0.166 nan 8.370 nan 0.000 0.512 761 Q N 3.159 122.919 119.800 -0.066 0.000 1.943 761 Q HA -0.292 4.051 4.340 0.006 0.000 0.213 761 Q C 1.595 177.605 176.000 0.016 0.000 1.017 761 Q CA 2.222 57.978 55.803 -0.078 0.000 0.874 761 Q CB -0.043 28.645 28.738 -0.084 0.000 0.960 761 Q HN 0.701 nan 8.270 nan 0.000 0.417 762 E N -0.412 119.797 120.200 0.014 0.000 2.114 762 E HA -0.265 4.089 4.350 0.006 0.000 0.199 762 E C 1.818 178.443 176.600 0.041 0.000 1.008 762 E CA 1.509 57.924 56.400 0.025 0.000 0.810 762 E CB -0.316 29.391 29.700 0.012 0.000 0.739 762 E HN 0.475 nan 8.360 nan 0.000 0.456 763 A N 1.747 124.601 122.820 0.056 0.000 1.865 763 A HA -0.217 4.107 4.320 0.006 0.000 0.217 763 A C 2.136 179.777 177.584 0.096 0.000 1.191 763 A CA 1.460 53.535 52.037 0.063 0.000 0.623 763 A CB -1.527 17.523 19.000 0.083 0.000 0.826 763 A HN 0.761 nan 8.150 nan 0.000 0.444 764 W N 1.199 122.476 121.300 -0.038 0.000 2.333 764 W HA -0.201 4.463 4.660 0.006 0.000 0.316 764 W C 2.057 178.564 176.519 -0.021 0.000 1.215 764 W CA 2.626 59.960 57.345 -0.018 0.000 1.278 764 W CB -0.829 28.570 29.460 -0.102 0.000 1.154 764 W HN 0.406 nan 8.180 nan 0.000 0.486 765 T N 1.096 115.744 114.554 0.157 0.000 2.665 765 T HA -0.249 4.105 4.350 0.006 0.000 0.268 765 T C 1.810 176.439 174.700 -0.118 0.000 1.035 765 T CA 2.150 64.276 62.100 0.043 0.000 1.151 765 T CB -0.453 68.451 68.868 0.059 0.000 0.862 765 T HN 0.213 nan 8.240 nan 0.000 0.438 766 R N 1.124 121.572 120.500 -0.087 0.000 2.073 766 R HA 0.022 4.366 4.340 0.006 0.000 0.234 766 R C 2.911 179.110 176.300 -0.168 0.000 1.134 766 R CA 1.305 57.332 56.100 -0.122 0.000 0.952 766 R CB -0.611 29.643 30.300 -0.077 0.000 0.850 766 R HN 0.393 nan 8.270 nan 0.000 0.433 767 A N 1.542 124.254 122.820 -0.180 0.000 1.883 767 A HA -0.168 4.156 4.320 0.006 0.000 0.217 767 A C 2.437 179.874 177.584 -0.245 0.000 1.186 767 A CA 1.855 53.758 52.037 -0.224 0.000 0.624 767 A CB -0.800 18.023 19.000 -0.294 0.000 0.822 767 A HN 0.414 nan 8.150 nan 0.000 0.444 768 A N 0.006 122.649 122.820 -0.295 0.000 1.883 768 A HA -0.124 4.200 4.320 0.006 0.000 0.217 768 A C 2.122 179.598 177.584 -0.181 0.000 1.186 768 A CA 1.624 53.549 52.037 -0.186 0.000 0.624 768 A CB -0.705 18.273 19.000 -0.037 0.000 0.822 768 A HN 0.523 nan 8.150 nan 0.000 0.444 769 I N -0.299 120.025 120.570 -0.409 0.000 2.264 769 I HA -0.259 3.915 4.170 0.006 0.000 0.248 769 I C 2.208 178.211 176.117 -0.189 0.000 1.111 769 I CA 1.072 62.089 61.300 -0.471 0.000 1.382 769 I CB -0.344 37.386 38.000 -0.450 0.000 1.060 769 I HN 0.288 nan 8.210 nan 0.000 0.418 770 L N 0.217 121.345 121.223 -0.157 0.000 2.291 770 L HA -0.141 4.203 4.340 0.006 0.000 0.214 770 L C 2.186 179.020 176.870 -0.059 0.000 1.120 770 L CA 1.002 55.780 54.840 -0.104 0.000 0.799 770 L CB -0.621 41.375 42.059 -0.105 0.000 0.925 770 L HN 0.374 nan 8.230 nan 0.000 0.446 771 N N -0.774 117.897 118.700 -0.049 0.000 2.250 771 N HA -0.107 4.637 4.740 0.006 0.000 0.181 771 N C 1.665 177.200 175.510 0.041 0.000 1.017 771 N CA 1.553 54.603 53.050 -0.000 0.000 0.866 771 N CB 0.143 38.626 38.487 -0.007 0.000 0.985 771 N HN 0.270 nan 8.380 nan 0.000 0.429 772 T N 1.485 116.071 114.554 0.052 0.000 2.614 772 T HA -0.097 4.257 4.350 0.006 0.000 0.263 772 T C 2.104 176.827 174.700 0.038 0.000 1.055 772 T CA 1.403 63.548 62.100 0.076 0.000 1.162 772 T CB -0.455 68.499 68.868 0.143 0.000 0.863 772 T HN 0.283 nan 8.240 nan 0.000 0.414 773 A N 1.801 124.625 122.820 0.007 0.000 1.927 773 A HA -0.224 4.099 4.320 0.006 0.000 0.220 773 A C 2.273 179.850 177.584 -0.012 0.000 1.185 773 A CA 1.890 53.915 52.037 -0.020 0.000 0.639 773 A CB -0.557 18.410 19.000 -0.055 0.000 0.820 773 A HN 0.488 nan 8.150 nan 0.000 0.451 774 R N -1.812 118.687 120.500 -0.000 0.000 2.297 774 R HA 0.098 4.442 4.340 0.006 0.000 0.197 774 R C 0.824 177.144 176.300 0.033 0.000 0.943 774 R CA 0.516 56.618 56.100 0.004 0.000 1.038 774 R CB -0.263 30.039 30.300 0.003 0.000 0.957 774 R HN 0.520 nan 8.270 nan 0.000 0.484 775 C N 0.325 119.679 119.300 0.090 0.000 2.614 775 C HA 0.191 4.655 4.460 0.006 0.000 0.299 775 C C 2.164 177.206 174.990 0.087 0.000 1.293 775 C CA -0.515 58.624 59.018 0.202 0.000 1.713 775 C CB -0.685 27.267 27.740 0.353 0.000 1.890 775 C HN 0.630 nan 8.230 nan 0.000 0.602 776 G N 1.877 110.673 108.800 -0.006 0.000 2.479 776 G HA2 -0.272 3.692 3.960 0.006 0.000 0.220 776 G HA3 -0.272 3.692 3.960 0.006 0.000 0.220 776 G C 1.536 176.377 174.900 -0.098 0.000 1.115 776 G CA 1.093 46.187 45.100 -0.009 0.000 0.757 776 G HN 0.718 nan 8.290 nan 0.000 0.560 777 M N -1.584 117.826 119.600 -0.318 0.000 2.630 777 M HA 0.347 4.830 4.480 0.006 0.000 0.254 777 M C 0.521 176.551 176.300 -0.449 0.000 1.092 777 M CA 0.888 55.930 55.300 -0.430 0.000 1.087 777 M CB -0.102 32.137 32.600 -0.602 0.000 1.453 777 M HN -0.017 nan 8.290 nan 0.000 0.509 778 F N 1.033 121.014 119.950 0.053 0.000 2.798 778 F HA 0.378 4.909 4.527 0.007 0.000 0.291 778 F C 0.818 176.672 175.800 0.091 0.000 1.174 778 F CA -0.924 57.114 58.000 0.063 0.000 1.392 778 F CB -0.473 38.552 39.000 0.042 0.000 0.966 778 F HN 0.141 nan 8.300 nan 0.000 0.509 779 S N -0.079 115.734 115.700 0.187 0.000 2.438 779 S HA 0.214 4.688 4.470 0.006 0.000 0.293 779 S C 1.361 176.077 174.600 0.195 0.000 1.141 779 S CA -0.244 58.065 58.200 0.181 0.000 1.080 779 S CB 0.797 64.073 63.200 0.127 0.000 0.978 779 S HN 0.347 nan 8.310 nan 0.000 0.479 780 S N 3.718 119.570 115.700 0.252 0.000 2.462 780 S HA -0.165 4.309 4.470 0.006 0.000 0.243 780 S C 1.070 175.792 174.600 0.204 0.000 1.003 780 S CA 1.295 59.700 58.200 0.342 0.000 0.970 780 S CB -0.497 62.966 63.200 0.438 0.000 0.762 780 S HN 0.818 nan 8.310 nan 0.000 0.510 781 D N 1.965 122.447 120.400 0.136 0.000 2.104 781 D HA -0.144 4.500 4.640 0.006 0.000 0.194 781 D C 2.096 178.430 176.300 0.058 0.000 0.994 781 D CA 1.361 55.410 54.000 0.080 0.000 0.830 781 D CB -0.396 40.439 40.800 0.057 0.000 0.959 781 D HN 0.551 nan 8.370 nan 0.000 0.452 782 R N 1.124 121.659 120.500 0.059 0.000 2.070 782 R HA -0.119 4.225 4.340 0.006 0.000 0.233 782 R C 2.170 178.480 176.300 0.017 0.000 1.137 782 R CA 1.720 57.836 56.100 0.028 0.000 0.945 782 R CB -0.209 30.099 30.300 0.015 0.000 0.845 782 R HN -0.008 nan 8.270 nan 0.000 0.430 783 S N 1.269 117.003 115.700 0.056 0.000 2.389 783 S HA -0.185 4.289 4.470 0.006 0.000 0.231 783 S C 1.971 176.570 174.600 -0.002 0.000 1.052 783 S CA 1.540 59.766 58.200 0.044 0.000 1.053 783 S CB -0.282 63.019 63.200 0.169 0.000 0.886 783 S HN 0.291 nan 8.310 nan 0.000 0.456 784 I N 1.680 122.219 120.570 -0.052 0.000 2.133 784 I HA -0.088 4.086 4.170 0.006 0.000 0.238 784 I C 2.462 178.612 176.117 0.055 0.000 1.074 784 I CA 1.304 62.615 61.300 0.020 0.000 1.342 784 I CB -1.274 36.764 38.000 0.064 0.000 1.053 784 I HN 0.227 nan 8.210 nan 0.000 0.404 785 R N 0.993 121.511 120.500 0.031 0.000 2.139 785 R HA -0.181 4.163 4.340 0.006 0.000 0.243 785 R C 1.735 178.011 176.300 -0.041 0.000 1.145 785 R CA 1.229 57.339 56.100 0.016 0.000 0.976 785 R CB -0.858 29.447 30.300 0.008 0.000 0.866 785 R HN 0.487 nan 8.270 nan 0.000 0.449 786 D N -0.378 119.964 120.400 -0.097 0.000 2.103 786 D HA -0.124 4.520 4.640 0.006 0.000 0.199 786 D C 1.989 178.090 176.300 -0.330 0.000 0.978 786 D CA 1.069 54.952 54.000 -0.195 0.000 0.829 786 D CB -0.313 40.345 40.800 -0.238 0.000 0.981 786 D HN 0.217 nan 8.370 nan 0.000 0.464 787 Y N 1.818 121.823 120.300 -0.492 0.000 2.181 787 Y HA -0.172 4.382 4.550 0.006 0.000 0.288 787 Y C 2.682 178.150 175.900 -0.720 0.000 1.146 787 Y CA 1.245 58.783 58.100 -0.936 0.000 1.164 787 Y CB -0.198 37.132 38.460 -1.884 0.000 0.982 787 Y HN 0.033 nan 8.280 nan 0.000 0.515 788 Q N -0.668 119.068 119.800 -0.106 0.000 2.020 788 Q HA -0.221 4.123 4.340 0.006 0.000 0.202 788 Q C 2.597 178.617 176.000 0.033 0.000 0.982 788 Q CA 1.562 57.457 55.803 0.153 0.000 0.838 788 Q CB -0.441 28.411 28.738 0.190 0.000 0.899 788 Q HN 0.519 nan 8.270 nan 0.000 0.423 789 A N 1.268 124.067 122.820 -0.035 0.000 1.854 789 A HA -0.147 4.176 4.320 0.006 0.000 0.214 789 A C 2.033 179.570 177.584 -0.078 0.000 1.192 789 A CA 1.218 53.231 52.037 -0.040 0.000 0.611 789 A CB -0.366 18.612 19.000 -0.038 0.000 0.832 789 A HN 0.196 nan 8.150 nan 0.000 0.442 790 R N -1.091 119.313 120.500 -0.159 0.000 2.148 790 R HA 0.144 4.488 4.340 0.006 0.000 0.223 790 R C 1.270 177.366 176.300 -0.341 0.000 1.088 790 R CA 1.460 57.429 56.100 -0.218 0.000 0.985 790 R CB -0.162 29.970 30.300 -0.281 0.000 0.880 790 R HN 0.589 nan 8.270 nan 0.000 0.451 791 I N -2.743 117.647 120.570 -0.300 0.000 3.626 791 I HA -0.004 4.170 4.170 0.006 0.000 0.256 791 I C 1.395 177.566 176.117 0.090 0.000 1.105 791 I CA -0.346 60.852 61.300 -0.170 0.000 1.656 791 I CB -0.459 37.362 38.000 -0.299 0.000 1.672 791 I HN 0.013 nan 8.210 nan 0.000 0.421 792 W N 2.437 123.804 121.300 0.112 0.000 2.305 792 W HA -0.169 4.495 4.660 0.006 0.000 0.308 792 W C 1.731 178.257 176.519 0.011 0.000 1.226 792 W CA 0.952 58.351 57.345 0.091 0.000 1.253 792 W CB -0.866 28.640 29.460 0.078 0.000 1.146 792 W HN 0.322 nan 8.180 nan 0.000 0.507 793 Q N -1.083 118.834 119.800 0.195 0.000 2.189 793 Q HA 0.375 4.719 4.340 0.006 0.000 0.221 793 Q C 0.630 176.634 176.000 0.007 0.000 0.848 793 Q CA 0.003 55.856 55.803 0.083 0.000 1.007 793 Q CB -0.314 28.476 28.738 0.086 0.000 1.116 793 Q HN 0.008 nan 8.270 nan 0.000 0.481 794 A N 1.063 123.870 122.820 -0.022 0.000 2.366 794 A HA 0.523 4.847 4.320 0.006 0.000 0.250 794 A C 0.248 177.778 177.584 -0.091 0.000 1.099 794 A CA 0.140 52.144 52.037 -0.056 0.000 0.794 794 A CB 0.209 19.170 19.000 -0.065 0.000 1.056 794 A HN 0.339 nan 8.150 nan 0.000 0.499 795 A N 0.571 123.348 122.820 -0.071 0.000 2.451 795 A HA 0.566 4.890 4.320 0.006 0.000 0.266 795 A C 0.667 178.176 177.584 -0.125 0.000 1.119 795 A CA 0.307 52.297 52.037 -0.077 0.000 0.786 795 A CB -0.082 18.895 19.000 -0.039 0.000 1.061 795 A HN 0.853 nan 8.150 nan 0.000 0.503 796 R N 0.000 120.417 120.500 -0.138 0.000 2.786 796 R HA 0.000 4.344 4.340 0.006 0.000 0.208 796 R CA 0.000 56.000 56.100 -0.166 0.000 0.921 796 R CB 0.000 30.129 30.300 -0.285 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535