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 1l5w_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.570 174.600 -0.050 0.000 1.055 1 S CA 0.000 58.167 58.200 -0.054 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 2 Q N 1.506 121.274 119.800 -0.055 0.000 2.520 2 Q HA 0.102 4.442 4.340 0.001 0.000 0.320 2 Q C -2.157 173.864 176.000 0.035 0.000 1.104 2 Q CA -0.399 55.375 55.803 -0.048 0.000 1.062 2 Q CB -0.195 28.514 28.738 -0.048 0.000 1.005 2 Q HN 0.406 nan 8.270 nan 0.000 0.390 3 P HA 0.051 nan 4.420 nan 0.000 0.269 3 P C -0.930 176.644 177.300 0.457 0.000 1.209 3 P CA 0.112 63.333 63.100 0.202 0.000 0.776 3 P CB 0.551 32.339 31.700 0.146 0.000 0.876 4 I N 2.957 123.753 120.570 0.377 0.000 2.312 4 I HA 0.252 4.423 4.170 0.001 0.000 0.290 4 I C 0.303 176.472 176.117 0.086 0.000 1.008 4 I CA -0.619 60.844 61.300 0.272 0.000 1.226 4 I CB 0.176 38.244 38.000 0.113 0.000 1.371 4 I HN 0.238 nan 8.210 nan 0.000 0.468 5 F N 7.326 127.049 119.950 -0.379 0.000 2.471 5 F HA 0.278 4.805 4.527 0.001 0.000 0.353 5 F C 0.359 175.885 175.800 -0.456 0.000 1.113 5 F CA 0.166 57.567 58.000 -0.999 0.000 1.262 5 F CB 0.403 38.603 39.000 -1.334 0.000 1.146 5 F HN 0.499 nan 8.300 nan 0.000 0.578 6 N N 4.748 122.665 118.700 -1.305 0.000 2.533 6 N HA 0.062 4.803 4.740 0.001 0.000 0.289 6 N C -0.070 174.887 175.510 -0.921 0.000 1.103 6 N CA -0.325 52.270 53.050 -0.759 0.000 0.877 6 N CB 1.323 39.563 38.487 -0.412 0.000 1.419 6 N HN 0.866 nan 8.380 nan 0.000 0.517 7 D N 3.170 123.275 120.400 -0.492 0.000 2.123 7 D HA -0.193 4.448 4.640 0.001 0.000 0.196 7 D C 1.744 178.005 176.300 -0.064 0.000 0.992 7 D CA 1.593 55.508 54.000 -0.142 0.000 0.833 7 D CB 0.415 41.287 40.800 0.121 0.000 0.954 7 D HN 0.590 nan 8.370 nan 0.000 0.455 8 K N 0.071 120.413 120.400 -0.096 0.000 2.002 8 K HA -0.256 4.064 4.320 0.001 0.000 0.209 8 K C 2.276 178.824 176.600 -0.087 0.000 1.048 8 K CA 1.461 57.715 56.287 -0.055 0.000 0.930 8 K CB -0.258 32.206 32.500 -0.060 0.000 0.714 8 K HN 0.249 nan 8.250 nan 0.000 0.438 9 Q N -0.280 119.426 119.800 -0.156 0.000 2.112 9 Q HA -0.233 4.108 4.340 0.001 0.000 0.206 9 Q C 1.991 177.913 176.000 -0.129 0.000 0.987 9 Q CA 1.909 57.618 55.803 -0.157 0.000 0.858 9 Q CB -0.251 28.368 28.738 -0.198 0.000 0.905 9 Q HN 0.409 nan 8.270 nan 0.000 0.420 10 F N 1.068 120.834 119.950 -0.307 0.000 2.146 10 F HA -0.190 4.338 4.527 0.001 0.000 0.298 10 F C 2.224 177.998 175.800 -0.043 0.000 1.096 10 F CA 1.454 59.349 58.000 -0.175 0.000 1.275 10 F CB -0.129 38.793 39.000 -0.130 0.000 1.008 10 F HN 0.119 nan 8.300 nan 0.000 0.480 11 Q N 0.584 120.364 119.800 -0.033 0.000 2.084 11 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 11 Q C 2.149 178.061 176.000 -0.146 0.000 0.978 11 Q CA 1.879 57.655 55.803 -0.046 0.000 0.844 11 Q CB -0.638 28.173 28.738 0.122 0.000 0.898 11 Q HN 0.591 nan 8.270 nan 0.000 0.426 12 E N 0.725 120.838 120.200 -0.145 0.000 2.077 12 E HA -0.118 4.233 4.350 0.001 0.000 0.193 12 E C 1.944 178.380 176.600 -0.273 0.000 0.989 12 E CA 0.989 57.278 56.400 -0.185 0.000 0.800 12 E CB -0.083 29.530 29.700 -0.146 0.000 0.746 12 E HN 0.348 nan 8.360 nan 0.000 0.452 13 A N 0.953 123.605 122.820 -0.281 0.000 1.930 13 A HA -0.155 4.165 4.320 0.001 0.000 0.217 13 A C 2.127 179.458 177.584 -0.422 0.000 1.175 13 A CA 0.913 52.764 52.037 -0.310 0.000 0.627 13 A CB -0.456 18.403 19.000 -0.235 0.000 0.815 13 A HN 0.223 nan 8.150 nan 0.000 0.443 14 L N 0.848 121.759 121.223 -0.521 0.000 2.046 14 L HA -0.150 4.191 4.340 0.001 0.000 0.208 14 L C 2.802 179.347 176.870 -0.542 0.000 1.077 14 L CA 2.759 57.290 54.840 -0.516 0.000 0.747 14 L CB -0.668 41.039 42.059 -0.586 0.000 0.896 14 L HN 0.512 nan 8.230 nan 0.000 0.432 15 S N -0.806 114.546 115.700 -0.580 0.000 2.399 15 S HA -0.231 4.240 4.470 0.001 0.000 0.231 15 S C 2.123 175.975 174.600 -1.246 0.000 1.022 15 S CA 1.049 58.532 58.200 -1.195 0.000 0.983 15 S CB -0.691 62.087 63.200 -0.703 0.000 0.803 15 S HN 0.534 nan 8.310 nan 0.000 0.480 16 R N 0.673 120.731 120.500 -0.736 0.000 2.152 16 R HA 0.003 4.344 4.340 0.001 0.000 0.232 16 R C 2.577 178.500 176.300 -0.629 0.000 1.117 16 R CA 1.364 57.107 56.100 -0.594 0.000 0.981 16 R CB -0.233 29.823 30.300 -0.406 0.000 0.870 16 R HN 0.509 nan 8.270 nan 0.000 0.451 17 Q N -0.118 119.284 119.800 -0.663 0.000 2.062 17 Q HA -0.149 4.192 4.340 0.001 0.000 0.196 17 Q C 2.068 177.503 176.000 -0.942 0.000 0.967 17 Q CA 1.394 56.765 55.803 -0.721 0.000 0.832 17 Q CB -0.451 27.950 28.738 -0.561 0.000 0.899 17 Q HN 0.619 nan 8.270 nan 0.000 0.442 18 W N 1.111 122.018 121.300 -0.655 0.000 2.402 18 W HA -0.071 4.590 4.660 0.001 0.000 0.286 18 W C 1.322 177.619 176.519 -0.370 0.000 1.221 18 W CA 0.529 57.562 57.345 -0.521 0.000 1.257 18 W CB -0.651 28.591 29.460 -0.363 0.000 1.120 18 W HN 0.194 nan 8.180 nan 0.000 0.551 19 Q N 1.033 120.526 119.800 -0.511 0.000 2.084 19 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 19 Q C 2.440 178.287 176.000 -0.255 0.000 0.978 19 Q CA 2.133 57.721 55.803 -0.358 0.000 0.844 19 Q CB -0.422 27.985 28.738 -0.552 0.000 0.898 19 Q HN 0.282 nan 8.270 nan 0.000 0.426 20 R N -0.278 119.985 120.500 -0.395 0.000 2.189 20 R HA -0.139 4.201 4.340 0.001 0.000 0.223 20 R C 0.931 177.154 176.300 -0.128 0.000 1.092 20 R CA 0.970 56.895 56.100 -0.292 0.000 0.989 20 R CB 0.147 30.240 30.300 -0.346 0.000 0.876 20 R HN 0.266 nan 8.270 nan 0.000 0.457 21 Y N -0.637 119.633 120.300 -0.051 0.000 2.511 21 Y HA 0.324 4.875 4.550 0.001 0.000 0.279 21 Y C 1.394 177.290 175.900 -0.008 0.000 1.157 21 Y CA 0.015 58.096 58.100 -0.031 0.000 1.300 21 Y CB 0.026 38.468 38.460 -0.031 0.000 1.052 21 Y HN 0.246 nan 8.280 nan 0.000 0.529 22 G N 0.843 109.712 108.800 0.114 0.000 2.248 22 G HA2 -0.247 3.714 3.960 0.001 0.000 0.263 22 G HA3 -0.247 3.714 3.960 0.001 0.000 0.263 22 G C -0.295 174.675 174.900 0.116 0.000 1.082 22 G CA 0.048 45.200 45.100 0.088 0.000 0.863 22 G HN 0.272 nan 8.290 nan 0.000 0.495 23 L N -0.886 120.447 121.223 0.184 0.000 2.332 23 L HA 0.498 4.839 4.340 0.001 0.000 0.269 23 L C 1.150 178.140 176.870 0.200 0.000 1.016 23 L CA -1.328 53.601 54.840 0.148 0.000 0.809 23 L CB 1.015 43.142 42.059 0.114 0.000 1.280 23 L HN -0.002 nan 8.230 nan 0.000 0.447 24 N N -0.185 118.542 118.700 0.044 0.000 2.424 24 N HA 0.005 4.746 4.740 0.001 0.000 0.178 24 N C 0.130 175.509 175.510 -0.219 0.000 1.060 24 N CA 0.368 53.440 53.050 0.038 0.000 0.901 24 N CB 0.518 39.002 38.487 -0.006 0.000 0.979 24 N HN 0.699 nan 8.380 nan 0.000 0.451 25 S N -1.879 113.427 115.700 -0.656 0.000 2.643 25 S HA 0.651 5.122 4.470 0.001 0.000 0.270 25 S C 0.493 174.161 174.600 -1.553 0.000 1.166 25 S CA -0.277 57.124 58.200 -1.331 0.000 0.815 25 S CB 1.239 64.100 63.200 -0.564 0.000 1.139 25 S HN -0.027 nan 8.310 nan 0.000 0.472 26 A N 0.714 122.564 122.820 -1.615 0.000 1.969 26 A HA 0.372 4.693 4.320 0.001 0.000 0.218 26 A C 2.227 179.556 177.584 -0.426 0.000 1.169 26 A CA 1.709 53.076 52.037 -1.117 0.000 0.635 26 A CB -1.518 17.104 19.000 -0.631 0.000 0.810 26 A HN 1.626 nan 8.150 nan 0.000 0.445 27 A N -0.060 122.667 122.820 -0.155 0.000 2.070 27 A HA -0.122 4.198 4.320 0.001 0.000 0.220 27 A C 1.727 179.333 177.584 0.037 0.000 1.159 27 A CA 1.399 53.494 52.037 0.097 0.000 0.656 27 A CB -0.420 18.619 19.000 0.065 0.000 0.800 27 A HN 0.653 nan 8.150 nan 0.000 0.453 28 E N -0.695 119.433 120.200 -0.119 0.000 2.482 28 E HA 0.061 4.412 4.350 0.001 0.000 0.196 28 E C 0.229 176.795 176.600 -0.056 0.000 1.047 28 E CA -0.220 56.137 56.400 -0.072 0.000 0.869 28 E CB -0.097 29.543 29.700 -0.099 0.000 0.836 28 E HN 0.631 nan 8.360 nan 0.000 0.520 29 M N 1.738 121.251 119.600 -0.144 0.000 2.245 29 M HA 0.001 4.482 4.480 0.001 0.000 0.344 29 M C 0.789 177.118 176.300 0.049 0.000 1.170 29 M CA 0.186 55.379 55.300 -0.179 0.000 1.135 29 M CB 0.625 32.806 32.600 -0.699 0.000 1.574 29 M HN 0.005 nan 8.290 nan 0.000 0.452 30 T N 0.219 114.796 114.554 0.039 0.000 2.766 30 T HA 0.202 4.553 4.350 0.001 0.000 0.295 30 T C -2.097 172.751 174.700 0.247 0.000 1.024 30 T CA -1.496 60.676 62.100 0.119 0.000 1.018 30 T CB 0.346 69.241 68.868 0.046 0.000 1.002 30 T HN 0.403 nan 8.240 nan 0.000 0.532 31 P HA -0.077 nan 4.420 nan 0.000 0.215 31 P C 1.737 179.214 177.300 0.295 0.000 1.153 31 P CA 0.999 64.268 63.100 0.281 0.000 0.853 31 P CB 0.022 31.823 31.700 0.169 0.000 0.788 32 R N -0.098 120.521 120.500 0.199 0.000 2.081 32 R HA -0.174 4.167 4.340 0.001 0.000 0.235 32 R C 2.334 178.760 176.300 0.209 0.000 1.131 32 R CA 1.628 57.856 56.100 0.213 0.000 0.960 32 R CB -0.489 29.876 30.300 0.107 0.000 0.856 32 R HN 0.205 nan 8.270 nan 0.000 0.436 33 Q N -1.010 118.823 119.800 0.055 0.000 2.084 33 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 33 Q C 1.781 177.829 176.000 0.080 0.000 0.978 33 Q CA 1.926 57.667 55.803 -0.104 0.000 0.844 33 Q CB -0.183 28.386 28.738 -0.282 0.000 0.898 33 Q HN 0.458 nan 8.270 nan 0.000 0.426 34 W N -0.410 120.959 121.300 0.114 0.000 2.333 34 W HA -0.252 4.409 4.660 0.001 0.000 0.316 34 W C 2.074 178.673 176.519 0.132 0.000 1.215 34 W CA 1.010 58.425 57.345 0.116 0.000 1.278 34 W CB -0.507 29.017 29.460 0.108 0.000 1.154 34 W HN 0.352 nan 8.180 nan 0.000 0.486 35 W N 0.396 121.882 121.300 0.310 0.000 2.358 35 W HA -0.177 4.483 4.660 0.001 0.000 0.303 35 W C 1.956 178.557 176.519 0.136 0.000 1.208 35 W CA 1.864 59.336 57.345 0.212 0.000 1.274 35 W CB -0.762 28.802 29.460 0.174 0.000 1.138 35 W HN -0.205 nan 8.180 nan 0.000 0.515 36 L N 0.578 121.741 121.223 -0.101 0.000 2.046 36 L HA -0.199 4.142 4.340 0.001 0.000 0.208 36 L C 2.765 179.456 176.870 -0.299 0.000 1.077 36 L CA 1.614 56.223 54.840 -0.385 0.000 0.747 36 L CB -1.339 40.685 42.059 -0.058 0.000 0.896 36 L HN 0.120 nan 8.230 nan 0.000 0.432 37 A N -0.567 122.212 122.820 -0.069 0.000 1.873 37 A HA -0.133 4.188 4.320 0.001 0.000 0.215 37 A C 2.317 179.791 177.584 -0.184 0.000 1.186 37 A CA 1.621 53.591 52.037 -0.113 0.000 0.616 37 A CB -0.816 18.127 19.000 -0.095 0.000 0.823 37 A HN 0.174 nan 8.150 nan 0.000 0.442 38 V N 0.112 119.987 119.914 -0.065 0.000 2.343 38 V HA -0.225 3.896 4.120 0.001 0.000 0.247 38 V C 2.814 178.841 176.094 -0.112 0.000 1.051 38 V CA 2.365 64.693 62.300 0.047 0.000 1.036 38 V CB -0.766 31.203 31.823 0.244 0.000 0.654 38 V HN 0.570 nan 8.190 nan 0.000 0.451 39 S N -0.617 114.836 115.700 -0.410 0.000 2.355 39 S HA -0.182 4.289 4.470 0.001 0.000 0.222 39 S C 1.927 176.007 174.600 -0.867 0.000 1.031 39 S CA 1.299 59.087 58.200 -0.687 0.000 0.993 39 S CB -0.296 62.260 63.200 -1.072 0.000 0.859 39 S HN 0.635 nan 8.310 nan 0.000 0.453 40 E N 1.507 121.311 120.200 -0.660 0.000 2.085 40 E HA -0.136 4.215 4.350 0.001 0.000 0.194 40 E C 2.396 178.770 176.600 -0.378 0.000 0.994 40 E CA 1.121 57.209 56.400 -0.518 0.000 0.801 40 E CB -0.341 29.143 29.700 -0.361 0.000 0.743 40 E HN 0.506 nan 8.360 nan 0.000 0.453 41 A N 1.481 124.125 122.820 -0.294 0.000 1.877 41 A HA -0.158 4.163 4.320 0.001 0.000 0.216 41 A C 2.328 179.889 177.584 -0.039 0.000 1.186 41 A CA 1.102 53.023 52.037 -0.194 0.000 0.620 41 A CB -0.721 18.128 19.000 -0.252 0.000 0.822 41 A HN 0.138 nan 8.150 nan 0.000 0.443 42 L N -0.858 120.376 121.223 0.018 0.000 2.046 42 L HA -0.191 4.150 4.340 0.001 0.000 0.208 42 L C 3.102 180.012 176.870 0.067 0.000 1.077 42 L CA 1.011 55.983 54.840 0.219 0.000 0.747 42 L CB -0.555 41.691 42.059 0.312 0.000 0.896 42 L HN 0.449 nan 8.230 nan 0.000 0.432 43 A N -0.111 122.483 122.820 -0.377 0.000 1.902 43 A HA -0.225 4.096 4.320 0.001 0.000 0.217 43 A C 2.170 179.731 177.584 -0.038 0.000 1.181 43 A CA 1.664 53.542 52.037 -0.264 0.000 0.623 43 A CB -0.419 18.247 19.000 -0.556 0.000 0.818 43 A HN 0.445 nan 8.150 nan 0.000 0.443 44 E N -0.654 119.497 120.200 -0.081 0.000 2.077 44 E HA -0.198 4.152 4.350 0.001 0.000 0.193 44 E C 2.116 178.743 176.600 0.044 0.000 0.989 44 E CA 1.567 57.946 56.400 -0.035 0.000 0.800 44 E CB -0.283 29.365 29.700 -0.087 0.000 0.746 44 E HN 0.685 nan 8.360 nan 0.000 0.452 45 M N 0.244 119.912 119.600 0.114 0.000 2.117 45 M HA -0.165 4.316 4.480 0.001 0.000 0.262 45 M C 2.430 178.896 176.300 0.278 0.000 1.065 45 M CA 0.953 56.380 55.300 0.213 0.000 1.114 45 M CB -0.276 32.527 32.600 0.339 0.000 1.361 45 M HN 0.123 nan 8.290 nan 0.000 0.408 46 L N 0.715 122.108 121.223 0.283 0.000 2.012 46 L HA -0.195 4.146 4.340 0.001 0.000 0.210 46 L C 2.353 179.307 176.870 0.140 0.000 1.073 46 L CA 1.971 56.928 54.840 0.194 0.000 0.748 46 L CB -0.498 41.690 42.059 0.214 0.000 0.891 46 L HN 0.161 nan 8.230 nan 0.000 0.431 47 R N -0.789 119.784 120.500 0.120 0.000 2.237 47 R HA 0.026 4.367 4.340 0.001 0.000 0.219 47 R C 1.870 178.211 176.300 0.068 0.000 1.080 47 R CA 0.752 56.902 56.100 0.084 0.000 0.995 47 R CB -0.355 29.979 30.300 0.057 0.000 0.875 47 R HN 0.513 nan 8.270 nan 0.000 0.462 48 A N 0.458 123.325 122.820 0.078 0.000 2.218 48 A HA 0.037 4.358 4.320 0.001 0.000 0.209 48 A C 0.447 178.076 177.584 0.076 0.000 1.168 48 A CA 0.013 52.085 52.037 0.058 0.000 0.804 48 A CB 0.253 19.279 19.000 0.043 0.000 0.834 48 A HN 0.065 nan 8.150 nan 0.000 0.482 49 Q N 1.497 121.359 119.800 0.103 0.000 2.364 49 Q HA 0.235 4.576 4.340 0.001 0.000 0.267 49 Q C -2.191 173.864 176.000 0.092 0.000 0.999 49 Q CA -1.563 54.302 55.803 0.104 0.000 0.886 49 Q CB 0.080 28.881 28.738 0.105 0.000 1.243 49 Q HN 0.369 nan 8.270 nan 0.000 0.415 50 P HA 0.013 nan 4.420 nan 0.000 0.269 50 P C -0.417 176.956 177.300 0.121 0.000 1.209 50 P CA -0.278 62.882 63.100 0.099 0.000 0.776 50 P CB 0.338 32.079 31.700 0.069 0.000 0.876 51 F N 2.493 122.445 119.950 0.004 0.000 2.571 51 F HA 0.282 4.810 4.527 0.001 0.000 0.384 51 F C 0.114 175.913 175.800 -0.001 0.000 1.058 51 F CA -0.415 57.584 58.000 -0.001 0.000 1.200 51 F CB 0.133 39.130 39.000 -0.004 0.000 1.077 51 F HN 0.412 nan 8.300 nan 0.000 0.558 52 A N 7.771 130.216 122.820 -0.625 0.000 2.252 52 A HA 0.407 4.727 4.320 0.001 0.000 0.309 52 A C -0.439 176.536 177.584 -1.016 0.000 1.285 52 A CA -0.948 50.744 52.037 -0.576 0.000 0.900 52 A CB 0.083 18.894 19.000 -0.315 0.000 1.157 52 A HN 0.797 nan 8.150 nan 0.000 0.536 53 K N 3.555 123.525 120.400 -0.715 0.000 2.326 53 K HA 0.474 4.794 4.320 0.001 0.000 0.275 53 K C -2.483 173.970 176.600 -0.245 0.000 1.018 53 K CA -1.098 54.894 56.287 -0.491 0.000 0.962 53 K CB 0.214 32.693 32.500 -0.035 0.000 0.953 53 K HN 0.381 nan 8.250 nan 0.000 0.475 54 P HA 0.024 nan 4.420 nan 0.000 0.275 54 P C -0.395 176.905 177.300 0.001 0.000 1.266 54 P CA -0.734 62.344 63.100 -0.037 0.000 0.793 54 P CB 0.379 32.103 31.700 0.040 0.000 1.074 55 V N 0.224 120.142 119.914 0.008 0.000 2.694 55 V HA 0.180 4.301 4.120 0.001 0.000 0.306 55 V C 1.041 177.160 176.094 0.041 0.000 1.054 55 V CA 0.265 62.577 62.300 0.019 0.000 1.161 55 V CB -0.178 31.657 31.823 0.020 0.000 0.916 55 V HN 0.774 nan 8.190 nan 0.000 0.490 56 A N 3.899 126.743 122.820 0.040 0.000 2.287 56 A HA 0.452 4.773 4.320 0.001 0.000 0.273 56 A C 0.734 178.348 177.584 0.051 0.000 1.091 56 A CA -0.151 51.918 52.037 0.053 0.000 0.817 56 A CB -0.337 18.691 19.000 0.047 0.000 1.069 56 A HN 1.101 nan 8.150 nan 0.000 0.492 57 N N -0.344 118.392 118.700 0.060 0.000 2.705 57 N HA -0.172 4.569 4.740 0.001 0.000 0.255 57 N C -0.731 174.798 175.510 0.031 0.000 1.008 57 N CA 0.936 54.013 53.050 0.045 0.000 0.742 57 N CB -1.019 37.484 38.487 0.027 0.000 0.906 57 N HN 0.719 nan 8.380 nan 0.000 0.541 58 Q N -0.055 119.777 119.800 0.053 0.000 2.423 58 Q HA 0.412 4.752 4.340 0.001 0.000 0.278 58 Q C -0.218 175.821 176.000 0.064 0.000 1.097 58 Q CA -0.944 54.888 55.803 0.048 0.000 0.809 58 Q CB 2.168 30.943 28.738 0.062 0.000 1.391 58 Q HN 0.205 nan 8.270 nan 0.000 0.428 59 R N 0.636 121.163 120.500 0.044 0.000 2.734 59 R HA 0.074 4.414 4.340 0.001 0.000 0.266 59 R C -0.186 176.169 176.300 0.092 0.000 1.044 59 R CA -0.031 56.106 56.100 0.062 0.000 1.128 59 R CB 0.273 30.591 30.300 0.030 0.000 1.010 59 R HN 0.524 nan 8.270 nan 0.000 0.461 60 H N 0.624 119.710 119.070 0.027 0.000 2.548 60 H HA 0.232 4.789 4.556 0.001 0.000 0.331 60 H C -0.854 174.425 175.328 -0.082 0.000 1.093 60 H CA -0.409 55.639 56.048 -0.001 0.000 1.367 60 H CB 0.926 30.716 29.762 0.047 0.000 1.455 60 H HN 0.137 nan 8.280 nan 0.000 0.519 61 V N 5.996 125.573 119.914 -0.562 0.000 2.370 61 V HA 0.173 4.293 4.120 0.001 0.000 0.279 61 V C -0.274 175.626 176.094 -0.323 0.000 1.029 61 V CA -0.821 61.149 62.300 -0.551 0.000 0.870 61 V CB 1.076 32.331 31.823 -0.947 0.000 0.984 61 V HN 0.842 nan 8.190 nan 0.000 0.451 62 N N 4.151 122.815 118.700 -0.060 0.000 2.511 62 N HA 0.261 5.002 4.740 0.001 0.000 0.249 62 N C -1.257 174.398 175.510 0.242 0.000 0.971 62 N CA -0.329 52.857 53.050 0.227 0.000 0.938 62 N CB 1.782 40.466 38.487 0.328 0.000 1.131 62 N HN 0.693 nan 8.380 nan 0.000 0.505 63 Y N 3.268 123.673 120.300 0.176 0.000 2.434 63 Y HA 0.405 4.955 4.550 0.001 0.000 0.341 63 Y C -0.129 176.012 175.900 0.402 0.000 0.965 63 Y CA -0.633 57.601 58.100 0.223 0.000 1.205 63 Y CB 0.461 39.033 38.460 0.186 0.000 1.121 63 Y HN 0.387 nan 8.280 nan 0.000 0.507 64 I N 5.321 125.972 120.570 0.135 0.000 2.304 64 I HA 0.286 4.457 4.170 0.001 0.000 0.291 64 I C -0.107 176.096 176.117 0.143 0.000 1.018 64 I CA -0.314 61.146 61.300 0.268 0.000 1.260 64 I CB 0.998 39.132 38.000 0.223 0.000 1.390 64 I HN 0.474 nan 8.210 nan 0.000 0.475 65 S N 6.090 121.952 115.700 0.270 0.000 2.541 65 S HA 0.454 4.925 4.470 0.001 0.000 0.280 65 S C 0.613 175.319 174.600 0.178 0.000 1.112 65 S CA -0.745 57.494 58.200 0.064 0.000 0.925 65 S CB 1.900 64.896 63.200 -0.340 0.000 1.067 65 S HN 0.644 nan 8.310 nan 0.000 0.479 66 M N 2.188 121.885 119.600 0.162 0.000 2.476 66 M HA 0.047 4.528 4.480 0.001 0.000 0.262 66 M C 0.379 176.760 176.300 0.134 0.000 1.079 66 M CA 1.042 56.434 55.300 0.154 0.000 1.104 66 M CB -0.445 32.143 32.600 -0.021 0.000 1.409 66 M HN 0.735 nan 8.290 nan 0.000 0.467 67 E N -0.696 119.494 120.200 -0.017 0.000 2.340 67 E HA 0.520 4.871 4.350 0.001 0.000 0.273 67 E C -1.387 175.053 176.600 -0.268 0.000 0.891 67 E CA -0.733 55.651 56.400 -0.027 0.000 0.757 67 E CB 1.563 31.200 29.700 -0.105 0.000 1.231 67 E HN -0.022 nan 8.360 nan 0.000 0.439 68 F N 1.947 121.925 119.950 0.048 0.000 2.902 68 F HA 0.238 4.766 4.527 0.001 0.000 0.368 68 F C -0.795 174.978 175.800 -0.045 0.000 1.202 68 F CA -0.820 57.192 58.000 0.020 0.000 1.109 68 F CB 1.604 40.619 39.000 0.025 0.000 1.418 68 F HN 0.407 nan 8.300 nan 0.000 0.527 69 L N 5.828 127.082 121.223 0.050 0.000 2.423 69 L HA 0.303 4.644 4.340 0.001 0.000 0.249 69 L C 1.298 178.172 176.870 0.007 0.000 1.276 69 L CA 0.367 55.202 54.840 -0.010 0.000 1.199 69 L CB -0.588 41.456 42.059 -0.025 0.000 1.407 69 L HN 0.654 nan 8.230 nan 0.000 0.410 70 I N -0.485 120.076 120.570 -0.016 0.000 2.546 70 I HA 0.279 4.450 4.170 0.001 0.000 0.255 70 I C 1.313 177.381 176.117 -0.081 0.000 1.163 70 I CA 0.489 61.769 61.300 -0.034 0.000 1.457 70 I CB -0.848 37.112 38.000 -0.066 0.000 1.092 70 I HN 0.545 nan 8.210 nan 0.000 0.434 71 G N 1.706 110.440 108.800 -0.109 0.000 2.752 71 G HA2 -0.266 3.695 3.960 0.001 0.000 0.234 71 G HA3 -0.266 3.695 3.960 0.001 0.000 0.234 71 G C -0.288 174.561 174.900 -0.086 0.000 1.367 71 G CA -0.205 44.828 45.100 -0.113 0.000 0.879 71 G HN 0.578 nan 8.290 nan 0.000 0.563 72 R N -0.754 119.717 120.500 -0.048 0.000 2.623 72 R HA 0.295 4.635 4.340 0.001 0.000 0.271 72 R C 0.919 177.243 176.300 0.040 0.000 1.043 72 R CA -0.370 55.760 56.100 0.049 0.000 1.083 72 R CB 0.329 30.660 30.300 0.052 0.000 0.974 72 R HN 0.327 nan 8.270 nan 0.000 0.436 73 L N 1.919 123.223 121.223 0.135 0.000 2.537 73 L HA 0.043 4.384 4.340 0.001 0.000 0.224 73 L C 1.929 178.742 176.870 -0.094 0.000 1.065 73 L CA 1.430 56.223 54.840 -0.079 0.000 0.860 73 L CB -0.206 41.709 42.059 -0.239 0.000 1.086 73 L HN 0.685 nan 8.230 nan 0.000 0.482 74 T N -0.649 114.064 114.554 0.266 0.000 2.708 74 T HA -0.133 4.217 4.350 0.001 0.000 0.266 74 T C 1.744 176.601 174.700 0.262 0.000 1.037 74 T CA 1.504 63.861 62.100 0.428 0.000 1.146 74 T CB -0.538 68.751 68.868 0.702 0.000 0.865 74 T HN 0.463 nan 8.240 nan 0.000 0.435 75 G N 1.179 110.123 108.800 0.241 0.000 2.402 75 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 75 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 75 G C 1.498 176.483 174.900 0.141 0.000 1.162 75 G CA 1.091 46.347 45.100 0.261 0.000 0.777 75 G HN 0.556 nan 8.290 nan 0.000 0.539 76 N N 1.062 119.769 118.700 0.011 0.000 2.069 76 N HA -0.145 4.596 4.740 0.001 0.000 0.191 76 N C 2.036 177.488 175.510 -0.097 0.000 1.031 76 N CA 1.778 54.783 53.050 -0.075 0.000 0.852 76 N CB -0.235 38.167 38.487 -0.141 0.000 1.018 76 N HN 0.159 nan 8.380 nan 0.000 0.423 77 N N 0.290 118.890 118.700 -0.167 0.000 2.069 77 N HA -0.107 4.634 4.740 0.001 0.000 0.191 77 N C 1.697 177.133 175.510 -0.122 0.000 1.031 77 N CA 0.918 53.821 53.050 -0.244 0.000 0.852 77 N CB -0.495 37.672 38.487 -0.533 0.000 1.018 77 N HN 0.322 nan 8.380 nan 0.000 0.423 78 L N 0.536 121.781 121.223 0.038 0.000 2.012 78 L HA -0.142 4.199 4.340 0.001 0.000 0.210 78 L C 2.371 179.292 176.870 0.085 0.000 1.073 78 L CA 0.851 55.764 54.840 0.121 0.000 0.748 78 L CB -0.468 41.741 42.059 0.249 0.000 0.891 78 L HN 0.177 nan 8.230 nan 0.000 0.431 79 L N -0.343 120.935 121.223 0.093 0.000 2.083 79 L HA -0.197 4.143 4.340 0.001 0.000 0.209 79 L C 2.178 179.032 176.870 -0.027 0.000 1.083 79 L CA 1.526 56.387 54.840 0.035 0.000 0.752 79 L CB -0.302 41.752 42.059 -0.009 0.000 0.899 79 L HN 0.270 nan 8.230 nan 0.000 0.433 80 N N -0.128 118.533 118.700 -0.064 0.000 2.270 80 N HA -0.084 4.657 4.740 0.001 0.000 0.181 80 N C 1.755 177.091 175.510 -0.290 0.000 1.016 80 N CA 1.256 54.241 53.050 -0.109 0.000 0.870 80 N CB -0.243 38.198 38.487 -0.076 0.000 0.979 80 N HN 0.360 nan 8.380 nan 0.000 0.431 81 L N -0.819 120.199 121.223 -0.342 0.000 2.395 81 L HA 0.122 4.463 4.340 0.001 0.000 0.218 81 L C 1.006 177.653 176.870 -0.371 0.000 1.130 81 L CA 0.493 54.995 54.840 -0.562 0.000 0.826 81 L CB -0.335 41.027 42.059 -1.161 0.000 0.941 81 L HN 0.239 nan 8.230 nan 0.000 0.451 82 G N -1.503 107.201 108.800 -0.160 0.000 2.182 82 G HA2 -0.244 3.717 3.960 0.001 0.000 0.248 82 G HA3 -0.244 3.717 3.960 0.001 0.000 0.248 82 G C -0.036 175.032 174.900 0.279 0.000 1.042 82 G CA -0.010 45.101 45.100 0.020 0.000 0.775 82 G HN 0.349 nan 8.290 nan 0.000 0.501 83 W N -1.349 119.916 121.300 -0.058 0.000 2.870 83 W HA 0.395 5.055 4.660 0.001 0.000 0.358 83 W C 1.561 177.942 176.519 -0.230 0.000 1.043 83 W CA -0.804 56.433 57.345 -0.181 0.000 1.692 83 W CB -0.800 28.591 29.460 -0.115 0.000 1.100 83 W HN 0.350 nan 8.180 nan 0.000 0.557 84 Y N 1.997 122.311 120.300 0.024 0.000 2.114 84 Y HA -0.344 4.206 4.550 0.001 0.000 0.284 84 Y C 2.700 178.535 175.900 -0.108 0.000 1.143 84 Y CA 2.942 61.024 58.100 -0.030 0.000 1.135 84 Y CB -0.419 38.037 38.460 -0.005 0.000 0.980 84 Y HN -0.006 nan 8.280 nan 0.000 0.499 85 Q N 0.385 120.261 119.800 0.126 0.000 2.119 85 Q HA -0.175 4.166 4.340 0.001 0.000 0.201 85 Q C 1.682 177.579 176.000 -0.172 0.000 0.972 85 Q CA 2.150 57.968 55.803 0.025 0.000 0.847 85 Q CB -0.336 28.430 28.738 0.046 0.000 0.903 85 Q HN 0.456 nan 8.270 nan 0.000 0.433 86 D N -0.754 119.448 120.400 -0.329 0.000 2.117 86 D HA -0.131 4.510 4.640 0.001 0.000 0.197 86 D C 1.853 177.683 176.300 -0.784 0.000 0.987 86 D CA 1.425 55.055 54.000 -0.618 0.000 0.829 86 D CB -0.081 40.033 40.800 -1.143 0.000 0.961 86 D HN 0.190 nan 8.370 nan 0.000 0.460 87 V N 0.761 120.167 119.914 -0.846 0.000 2.358 87 V HA -0.227 3.894 4.120 0.001 0.000 0.246 87 V C 2.605 178.464 176.094 -0.392 0.000 1.047 87 V CA 1.480 63.345 62.300 -0.725 0.000 1.035 87 V CB -0.505 30.961 31.823 -0.596 0.000 0.658 87 V HN 0.174 nan 8.190 nan 0.000 0.452 88 Q N -0.194 119.400 119.800 -0.343 0.000 2.096 88 Q HA -0.272 4.068 4.340 0.001 0.000 0.204 88 Q C 1.910 177.843 176.000 -0.112 0.000 0.982 88 Q CA 2.214 57.891 55.803 -0.211 0.000 0.850 88 Q CB -0.080 28.558 28.738 -0.167 0.000 0.901 88 Q HN 0.648 nan 8.270 nan 0.000 0.422 89 D N -0.573 119.753 120.400 -0.122 0.000 2.097 89 D HA -0.088 4.552 4.640 0.001 0.000 0.197 89 D C 2.029 178.333 176.300 0.007 0.000 0.984 89 D CA 1.405 55.373 54.000 -0.052 0.000 0.826 89 D CB -0.300 40.466 40.800 -0.056 0.000 0.973 89 D HN 0.148 nan 8.370 nan 0.000 0.460 90 S N 0.418 116.124 115.700 0.010 0.000 2.419 90 S HA -0.070 4.401 4.470 0.001 0.000 0.235 90 S C 2.056 176.855 174.600 0.332 0.000 1.019 90 S CA 0.506 58.823 58.200 0.195 0.000 0.982 90 S CB -0.137 63.242 63.200 0.298 0.000 0.789 90 S HN 0.261 nan 8.310 nan 0.000 0.490 91 L N 1.567 122.930 121.223 0.233 0.000 2.492 91 L HA 0.019 4.360 4.340 0.001 0.000 0.223 91 L C 2.411 179.392 176.870 0.185 0.000 1.132 91 L CA 0.527 55.545 54.840 0.297 0.000 0.850 91 L CB -0.333 41.793 42.059 0.111 0.000 0.966 91 L HN 0.406 nan 8.230 nan 0.000 0.454 92 K N 0.677 121.132 120.400 0.092 0.000 2.147 92 K HA -0.105 4.216 4.320 0.001 0.000 0.205 92 K C 1.941 178.552 176.600 0.018 0.000 1.049 92 K CA 1.365 57.671 56.287 0.031 0.000 0.936 92 K CB -0.354 32.152 32.500 0.010 0.000 0.722 92 K HN 0.155 nan 8.250 nan 0.000 0.446 93 A N 0.686 123.507 122.820 0.002 0.000 2.121 93 A HA -0.065 4.255 4.320 0.001 0.000 0.218 93 A C 0.978 178.437 177.584 -0.209 0.000 1.154 93 A CA 0.670 52.633 52.037 -0.123 0.000 0.679 93 A CB -0.576 18.303 19.000 -0.201 0.000 0.795 93 A HN 0.466 nan 8.150 nan 0.000 0.458 94 Y N -0.282 120.044 120.300 0.045 0.000 2.457 94 Y HA 0.148 4.699 4.550 0.001 0.000 0.263 94 Y C 0.061 175.917 175.900 -0.074 0.000 1.164 94 Y CA -0.252 57.874 58.100 0.044 0.000 1.274 94 Y CB 0.285 38.821 38.460 0.126 0.000 1.097 94 Y HN 0.315 nan 8.280 nan 0.000 0.523 95 D N 0.336 120.752 120.400 0.026 0.000 2.800 95 D HA -0.165 4.476 4.640 0.001 0.000 0.232 95 D C -0.748 175.475 176.300 -0.128 0.000 1.137 95 D CA 0.631 54.610 54.000 -0.036 0.000 0.718 95 D CB -1.074 39.715 40.800 -0.019 0.000 1.084 95 D HN 0.157 nan 8.370 nan 0.000 0.432 96 I N 1.041 121.509 120.570 -0.170 0.000 2.378 96 I HA 0.190 4.361 4.170 0.001 0.000 0.291 96 I C 0.721 176.745 176.117 -0.154 0.000 0.992 96 I CA -0.683 60.436 61.300 -0.302 0.000 1.154 96 I CB 1.525 39.169 38.000 -0.593 0.000 1.315 96 I HN -0.086 nan 8.210 nan 0.000 0.448 97 N N 4.786 123.415 118.700 -0.118 0.000 2.420 97 N HA 0.131 4.872 4.740 0.001 0.000 0.249 97 N C 1.036 176.519 175.510 -0.045 0.000 1.033 97 N CA -0.469 52.547 53.050 -0.057 0.000 0.944 97 N CB 0.927 39.397 38.487 -0.027 0.000 1.113 97 N HN 0.523 nan 8.380 nan 0.000 0.502 98 L N 3.692 124.884 121.223 -0.052 0.000 2.042 98 L HA -0.140 4.201 4.340 0.001 0.000 0.210 98 L C 1.807 178.690 176.870 0.022 0.000 1.076 98 L CA 1.984 56.787 54.840 -0.061 0.000 0.749 98 L CB -0.909 41.020 42.059 -0.217 0.000 0.893 98 L HN 0.668 nan 8.230 nan 0.000 0.432 99 T N -0.507 114.089 114.554 0.069 0.000 2.746 99 T HA -0.156 4.195 4.350 0.001 0.000 0.267 99 T C 1.473 176.229 174.700 0.094 0.000 1.039 99 T CA 1.575 63.752 62.100 0.129 0.000 1.142 99 T CB -0.332 68.615 68.868 0.132 0.000 0.866 99 T HN 0.415 nan 8.240 nan 0.000 0.444 100 D N 0.982 121.419 120.400 0.062 0.000 2.144 100 D HA -0.005 4.635 4.640 0.001 0.000 0.200 100 D C 2.086 178.428 176.300 0.070 0.000 0.978 100 D CA 0.466 54.500 54.000 0.056 0.000 0.833 100 D CB -0.460 40.358 40.800 0.031 0.000 0.961 100 D HN 0.291 nan 8.370 nan 0.000 0.470 101 L N 0.455 121.723 121.223 0.075 0.000 2.083 101 L HA -0.135 4.206 4.340 0.001 0.000 0.209 101 L C 2.159 179.167 176.870 0.229 0.000 1.083 101 L CA 0.946 55.875 54.840 0.148 0.000 0.752 101 L CB -0.158 41.987 42.059 0.145 0.000 0.899 101 L HN -0.019 nan 8.230 nan 0.000 0.433 102 L N -0.160 121.188 121.223 0.207 0.000 2.083 102 L HA -0.188 4.152 4.340 0.001 0.000 0.209 102 L C 2.544 179.447 176.870 0.054 0.000 1.083 102 L CA 1.056 56.031 54.840 0.225 0.000 0.752 102 L CB -0.696 41.497 42.059 0.223 0.000 0.899 102 L HN 0.329 nan 8.230 nan 0.000 0.433 103 E N 0.053 120.278 120.200 0.042 0.000 2.401 103 E HA -0.195 4.156 4.350 0.001 0.000 0.199 103 E C 1.709 178.266 176.600 -0.071 0.000 1.023 103 E CA 0.593 56.994 56.400 0.001 0.000 0.859 103 E CB -0.087 29.641 29.700 0.046 0.000 0.780 103 E HN 0.511 nan 8.360 nan 0.000 0.523 104 E N 0.994 121.122 120.200 -0.121 0.000 2.347 104 E HA -0.083 4.268 4.350 0.001 0.000 0.196 104 E C 0.673 176.957 176.600 -0.527 0.000 1.008 104 E CA 0.234 56.516 56.400 -0.197 0.000 0.852 104 E CB -0.062 29.615 29.700 -0.038 0.000 0.783 104 E HN 0.383 nan 8.360 nan 0.000 0.505 105 E N 1.049 120.769 120.200 -0.799 0.000 2.290 105 E HA 0.101 4.451 4.350 0.001 0.000 0.277 105 E C -0.424 175.984 176.600 -0.320 0.000 1.035 105 E CA -0.189 55.638 56.400 -0.955 0.000 0.873 105 E CB 0.438 29.734 29.700 -0.672 0.000 1.029 105 E HN -0.022 nan 8.360 nan 0.000 0.419 106 I N 4.589 125.060 120.570 -0.165 0.000 2.416 106 I HA 0.020 4.190 4.170 0.001 0.000 0.288 106 I C -0.080 176.059 176.117 0.035 0.000 1.051 106 I CA -0.576 60.721 61.300 -0.003 0.000 1.375 106 I CB 0.769 38.820 38.000 0.086 0.000 1.407 106 I HN 0.519 nan 8.210 nan 0.000 0.516 107 D N 8.941 129.324 120.400 -0.029 0.000 2.533 107 D HA 0.031 4.671 4.640 0.001 0.000 0.236 107 D C -2.274 173.883 176.300 -0.239 0.000 1.137 107 D CA -0.562 53.380 54.000 -0.097 0.000 0.867 107 D CB 0.053 40.775 40.800 -0.131 0.000 1.170 107 D HN 0.212 nan 8.370 nan 0.000 0.474 108 P HA 0.065 nan 4.420 nan 0.000 0.260 108 P C -0.726 175.896 177.300 -1.131 0.000 1.185 108 P CA 0.053 62.404 63.100 -1.248 0.000 0.763 108 P CB 0.492 31.463 31.700 -1.215 0.000 0.776 109 A N 4.592 126.485 122.820 -1.545 0.000 3.056 109 A HA 0.205 4.526 4.320 0.001 0.000 0.274 109 A C 0.606 177.917 177.584 -0.455 0.000 1.661 109 A CA 0.011 51.633 52.037 -0.692 0.000 1.363 109 A CB -1.115 17.696 19.000 -0.315 0.000 1.139 109 A HN 0.600 nan 8.150 nan 0.000 0.598 110 L N 0.670 121.677 121.223 -0.360 0.000 2.959 110 L HA 0.408 4.748 4.340 0.001 0.000 0.259 110 L C 0.945 177.805 176.870 -0.017 0.000 1.185 110 L CA 0.216 55.014 54.840 -0.069 0.000 0.998 110 L CB 0.562 42.560 42.059 -0.101 0.000 1.337 110 L HN 0.663 nan 8.230 nan 0.000 0.555 111 G N -1.016 107.702 108.800 -0.137 0.000 2.600 111 G HA2 0.191 4.152 3.960 0.001 0.000 0.293 111 G HA3 0.191 4.152 3.960 0.001 0.000 0.293 111 G C -0.578 174.243 174.900 -0.131 0.000 1.408 111 G CA -0.142 44.885 45.100 -0.121 0.000 0.782 111 G HN -0.159 nan 8.290 nan 0.000 0.482 112 N N -1.907 116.765 118.700 -0.046 0.000 2.428 112 N HA 0.322 5.063 4.740 0.001 0.000 0.249 112 N C 0.763 176.296 175.510 0.039 0.000 1.092 112 N CA 1.462 54.516 53.050 0.008 0.000 0.833 112 N CB 1.141 39.734 38.487 0.176 0.000 1.575 112 N HN 1.080 nan 8.380 nan 0.000 0.476 113 G N -1.284 107.549 108.800 0.055 0.000 2.694 113 G HA2 0.365 4.326 3.960 0.001 0.000 0.246 113 G HA3 0.365 4.326 3.960 0.001 0.000 0.246 113 G C 0.585 175.497 174.900 0.019 0.000 1.205 113 G CA 0.130 45.263 45.100 0.055 0.000 0.891 113 G HN 0.140 nan 8.290 nan 0.000 0.515 114 G N -0.105 108.704 108.800 0.015 0.000 2.469 114 G HA2 -0.100 3.861 3.960 0.001 0.000 0.220 114 G HA3 -0.100 3.861 3.960 0.001 0.000 0.220 114 G C 1.786 176.641 174.900 -0.074 0.000 1.136 114 G CA 1.826 46.911 45.100 -0.025 0.000 0.759 114 G HN 0.737 nan 8.290 nan 0.000 0.562 115 L N 1.409 122.581 121.223 -0.085 0.000 2.027 115 L HA 0.213 4.554 4.340 0.001 0.000 0.206 115 L C 2.753 179.510 176.870 -0.188 0.000 1.074 115 L CA 2.437 57.154 54.840 -0.205 0.000 0.745 115 L CB -1.073 40.861 42.059 -0.208 0.000 0.898 115 L HN 0.127 nan 8.230 nan 0.000 0.433 116 G N -0.880 107.851 108.800 -0.115 0.000 2.418 116 G HA2 -0.328 3.633 3.960 0.001 0.000 0.217 116 G HA3 -0.328 3.633 3.960 0.001 0.000 0.217 116 G C 1.761 176.596 174.900 -0.107 0.000 1.158 116 G CA 0.821 45.838 45.100 -0.138 0.000 0.771 116 G HN 0.367 nan 8.290 nan 0.000 0.545 117 R N 0.109 120.570 120.500 -0.064 0.000 2.115 117 R HA 0.217 4.558 4.340 0.001 0.000 0.226 117 R C 2.328 178.593 176.300 -0.059 0.000 1.100 117 R CA 0.507 56.603 56.100 -0.007 0.000 0.980 117 R CB -0.770 29.546 30.300 0.027 0.000 0.875 117 R HN 0.345 nan 8.270 nan 0.000 0.445 118 L N -0.192 120.923 121.223 -0.179 0.000 2.017 118 L HA -0.090 4.251 4.340 0.001 0.000 0.208 118 L C 1.956 178.529 176.870 -0.496 0.000 1.073 118 L CA 1.980 56.581 54.840 -0.399 0.000 0.745 118 L CB -0.919 40.877 42.059 -0.439 0.000 0.894 118 L HN 0.362 nan 8.230 nan 0.000 0.432 119 A N 0.003 122.634 122.820 -0.315 0.000 1.892 119 A HA -0.284 4.037 4.320 0.001 0.000 0.218 119 A C 2.459 180.050 177.584 0.011 0.000 1.188 119 A CA 2.254 54.166 52.037 -0.209 0.000 0.631 119 A CB -0.915 17.817 19.000 -0.446 0.000 0.822 119 A HN 0.587 nan 8.150 nan 0.000 0.447 120 A N -1.069 121.795 122.820 0.074 0.000 1.883 120 A HA -0.202 4.118 4.320 0.001 0.000 0.217 120 A C 2.351 180.006 177.584 0.119 0.000 1.186 120 A CA 1.774 53.901 52.037 0.150 0.000 0.624 120 A CB -1.413 17.660 19.000 0.123 0.000 0.822 120 A HN 0.644 nan 8.150 nan 0.000 0.444 121 C N -1.504 117.868 119.300 0.119 0.000 2.413 121 C HA -0.110 4.350 4.460 0.001 0.000 0.276 121 C C 2.458 177.625 174.990 0.295 0.000 1.248 121 C CA 0.812 59.951 59.018 0.202 0.000 1.742 121 C CB -1.655 26.222 27.740 0.228 0.000 2.017 121 C HN 0.604 nan 8.230 nan 0.000 0.481 122 F N 0.921 120.858 119.950 -0.021 0.000 2.146 122 F HA -0.025 4.502 4.527 0.001 0.000 0.298 122 F C 2.246 177.985 175.800 -0.101 0.000 1.096 122 F CA 0.946 58.889 58.000 -0.096 0.000 1.275 122 F CB -1.361 37.452 39.000 -0.312 0.000 1.008 122 F HN 0.191 nan 8.300 nan 0.000 0.480 123 L N -0.418 120.870 121.223 0.108 0.000 2.046 123 L HA -0.233 4.108 4.340 0.001 0.000 0.208 123 L C 2.424 179.307 176.870 0.022 0.000 1.077 123 L CA 1.798 56.658 54.840 0.034 0.000 0.747 123 L CB -0.704 41.382 42.059 0.045 0.000 0.896 123 L HN 0.169 nan 8.230 nan 0.000 0.432 124 D N -0.172 120.255 120.400 0.047 0.000 2.092 124 D HA -0.180 4.461 4.640 0.001 0.000 0.193 124 D C 2.077 178.396 176.300 0.031 0.000 0.994 124 D CA 1.762 55.776 54.000 0.024 0.000 0.828 124 D CB 0.294 41.113 40.800 0.031 0.000 0.963 124 D HN 0.211 nan 8.370 nan 0.000 0.450 125 S N 0.125 115.864 115.700 0.066 0.000 2.359 125 S HA -0.170 4.301 4.470 0.001 0.000 0.224 125 S C 2.174 176.785 174.600 0.018 0.000 1.035 125 S CA 1.237 59.466 58.200 0.049 0.000 1.018 125 S CB -0.243 62.999 63.200 0.070 0.000 0.876 125 S HN 0.367 nan 8.310 nan 0.000 0.448 126 M N 0.833 120.437 119.600 0.006 0.000 2.159 126 M HA -0.125 4.356 4.480 0.001 0.000 0.263 126 M C 2.451 178.737 176.300 -0.023 0.000 1.063 126 M CA 1.465 56.756 55.300 -0.015 0.000 1.110 126 M CB -0.556 32.009 32.600 -0.058 0.000 1.374 126 M HN 0.410 nan 8.290 nan 0.000 0.411 127 A N -0.474 122.330 122.820 -0.026 0.000 1.969 127 A HA -0.109 4.212 4.320 0.001 0.000 0.218 127 A C 2.149 179.719 177.584 -0.023 0.000 1.169 127 A CA 1.918 53.934 52.037 -0.034 0.000 0.635 127 A CB -0.903 18.072 19.000 -0.042 0.000 0.810 127 A HN 0.424 nan 8.150 nan 0.000 0.445 128 T N -0.386 114.167 114.554 -0.001 0.000 2.904 128 T HA -0.036 4.315 4.350 0.001 0.000 0.267 128 T C 1.655 176.361 174.700 0.011 0.000 1.059 128 T CA 1.629 63.740 62.100 0.020 0.000 1.137 128 T CB -0.246 68.646 68.868 0.040 0.000 0.879 128 T HN 0.611 nan 8.240 nan 0.000 0.467 129 V N -1.134 118.784 119.914 0.006 0.000 3.596 129 V HA 0.587 4.708 4.120 0.001 0.000 0.289 129 V C 1.409 177.503 176.094 0.001 0.000 1.336 129 V CA 0.237 62.542 62.300 0.008 0.000 1.137 129 V CB -0.834 30.998 31.823 0.016 0.000 0.966 129 V HN 0.477 nan 8.190 nan 0.000 0.428 130 G N 0.885 109.677 108.800 -0.014 0.000 2.160 130 G HA2 -0.335 3.625 3.960 0.001 0.000 0.251 130 G HA3 -0.335 3.625 3.960 0.001 0.000 0.251 130 G C 0.099 174.995 174.900 -0.007 0.000 1.008 130 G CA 0.555 45.642 45.100 -0.022 0.000 0.724 130 G HN 0.990 nan 8.290 nan 0.000 0.514 131 Q N 1.142 120.938 119.800 -0.007 0.000 2.344 131 Q HA 0.575 4.916 4.340 0.001 0.000 0.253 131 Q C 0.648 176.609 176.000 -0.065 0.000 1.050 131 Q CA 0.269 56.066 55.803 -0.010 0.000 0.912 131 Q CB 0.620 29.370 28.738 0.019 0.000 1.258 131 Q HN 0.446 nan 8.270 nan 0.000 0.443 132 S N 3.175 118.853 115.700 -0.038 0.000 2.575 132 S HA 0.472 4.943 4.470 0.001 0.000 0.295 132 S C -0.801 173.570 174.600 -0.382 0.000 1.267 132 S CA 0.512 58.688 58.200 -0.040 0.000 1.074 132 S CB -0.411 62.886 63.200 0.162 0.000 0.829 132 S HN 0.805 nan 8.310 nan 0.000 0.497 133 A N 4.242 126.815 122.820 -0.412 0.000 2.608 133 A HA 0.682 5.003 4.320 0.001 0.000 0.292 133 A C -0.738 176.683 177.584 -0.271 0.000 1.066 133 A CA -0.802 50.846 52.037 -0.648 0.000 0.676 133 A CB 1.607 20.380 19.000 -0.379 0.000 1.277 133 A HN 0.644 nan 8.150 nan 0.000 0.413 134 T N 0.878 115.332 114.554 -0.167 0.000 2.879 134 T HA 0.636 4.987 4.350 0.001 0.000 0.290 134 T C 0.256 174.842 174.700 -0.191 0.000 0.993 134 T CA 0.126 62.140 62.100 -0.142 0.000 0.975 134 T CB 1.653 70.446 68.868 -0.125 0.000 0.981 134 T HN 1.329 nan 8.240 nan 0.000 0.439 135 G N 1.480 110.137 108.800 -0.238 0.000 2.420 135 G HA2 0.548 4.509 3.960 0.001 0.000 0.284 135 G HA3 0.548 4.509 3.960 0.001 0.000 0.284 135 G C -1.480 173.217 174.900 -0.338 0.000 1.177 135 G CA -0.232 44.810 45.100 -0.097 0.000 0.841 135 G HN 0.619 nan 8.290 nan 0.000 0.527 136 Y N 0.559 120.980 120.300 0.201 0.000 2.326 136 Y HA 0.587 5.137 4.550 0.001 0.000 0.329 136 Y C 0.763 176.869 175.900 0.344 0.000 0.973 136 Y CA -0.063 58.148 58.100 0.185 0.000 1.162 136 Y CB 2.366 41.015 38.460 0.315 0.000 1.147 136 Y HN 0.836 nan 8.280 nan 0.000 0.456 137 G N 2.323 111.301 108.800 0.297 0.000 3.166 137 G HA2 0.733 4.694 3.960 0.001 0.000 0.267 137 G HA3 0.733 4.694 3.960 0.001 0.000 0.267 137 G C -1.798 173.260 174.900 0.264 0.000 1.256 137 G CA -0.951 44.409 45.100 0.433 0.000 0.859 137 G HN 0.412 nan 8.290 nan 0.000 0.590 138 L N 0.374 121.655 121.223 0.097 0.000 2.365 138 L HA 0.415 4.756 4.340 0.001 0.000 0.273 138 L C -0.178 176.486 176.870 -0.344 0.000 1.000 138 L CA -0.632 54.120 54.840 -0.147 0.000 0.819 138 L CB 2.328 44.095 42.059 -0.486 0.000 1.284 138 L HN 0.603 nan 8.230 nan 0.000 0.418 139 N N 2.301 120.915 118.700 -0.144 0.000 2.968 139 N HA 0.144 4.885 4.740 0.001 0.000 0.271 139 N C -1.092 174.405 175.510 -0.022 0.000 1.174 139 N CA -0.519 52.523 53.050 -0.013 0.000 1.096 139 N CB 0.191 38.655 38.487 -0.037 0.000 1.403 139 N HN 0.349 nan 8.380 nan 0.000 0.522 140 Y N 1.135 121.559 120.300 0.207 0.000 2.544 140 Y HA -0.078 4.472 4.550 0.001 0.000 0.330 140 Y C 1.768 177.805 175.900 0.229 0.000 1.136 140 Y CA 0.123 58.323 58.100 0.167 0.000 1.417 140 Y CB 0.637 39.172 38.460 0.124 0.000 1.229 140 Y HN 0.467 nan 8.280 nan 0.000 0.532 141 Q N 2.053 121.934 119.800 0.134 0.000 2.119 141 Q HA -0.175 4.166 4.340 0.001 0.000 0.201 141 Q C 0.098 175.959 176.000 -0.232 0.000 0.972 141 Q CA 1.633 57.289 55.803 -0.244 0.000 0.847 141 Q CB 0.069 28.436 28.738 -0.619 0.000 0.903 141 Q HN 0.868 nan 8.270 nan 0.000 0.433 142 Y N -1.114 119.361 120.300 0.291 0.000 2.641 142 Y HA 0.339 4.890 4.550 0.001 0.000 0.248 142 Y C 0.972 176.975 175.900 0.171 0.000 1.170 142 Y CA 0.007 58.247 58.100 0.232 0.000 1.201 142 Y CB 0.677 39.221 38.460 0.140 0.000 1.232 142 Y HN 0.254 nan 8.280 nan 0.000 0.537 143 G N 1.074 110.024 108.800 0.251 0.000 2.594 143 G HA2 -0.400 3.560 3.960 0.001 0.000 0.297 143 G HA3 -0.400 3.560 3.960 0.001 0.000 0.297 143 G C 0.778 175.620 174.900 -0.096 0.000 1.273 143 G CA 0.779 45.873 45.100 -0.010 0.000 0.974 143 G HN 0.340 nan 8.290 nan 0.000 0.552 144 L N -0.152 120.981 121.223 -0.151 0.000 2.115 144 L HA 0.628 4.969 4.340 0.001 0.000 0.200 144 L C 0.934 177.853 176.870 0.082 0.000 1.094 144 L CA 2.621 57.394 54.840 -0.112 0.000 0.769 144 L CB -0.146 41.759 42.059 -0.257 0.000 0.931 144 L HN 1.291 nan 8.230 nan 0.000 0.455 145 F N -2.858 117.100 119.950 0.013 0.000 2.799 145 F HA 0.389 4.916 4.527 0.001 0.000 0.316 145 F C -0.683 175.121 175.800 0.007 0.000 1.155 145 F CA -1.532 56.478 58.000 0.018 0.000 0.916 145 F CB 0.531 39.535 39.000 0.008 0.000 1.294 145 F HN -0.122 nan 8.300 nan 0.000 0.447 146 R N 2.100 122.772 120.500 0.286 0.000 2.229 146 R HA 0.393 4.734 4.340 0.001 0.000 0.328 146 R C -0.892 175.572 176.300 0.273 0.000 1.009 146 R CA -0.439 55.754 56.100 0.155 0.000 0.864 146 R CB 1.326 31.683 30.300 0.094 0.000 1.085 146 R HN 0.894 nan 8.270 nan 0.000 0.453 147 Q N 3.042 122.953 119.800 0.185 0.000 2.243 147 Q HA 0.308 4.648 4.340 0.001 0.000 0.252 147 Q C -1.231 174.664 176.000 -0.175 0.000 0.909 147 Q CA -0.444 55.437 55.803 0.130 0.000 0.922 147 Q CB 1.355 30.175 28.738 0.136 0.000 1.215 147 Q HN 0.823 nan 8.270 nan 0.000 0.427 148 S N 2.341 117.884 115.700 -0.261 0.000 2.661 148 S HA 0.724 5.194 4.470 0.001 0.000 0.285 148 S C -1.147 173.201 174.600 -0.419 0.000 1.138 148 S CA -0.762 57.222 58.200 -0.360 0.000 0.855 148 S CB 0.989 64.104 63.200 -0.142 0.000 1.136 148 S HN 0.412 nan 8.310 nan 0.000 0.484 149 F N 0.438 120.352 119.950 -0.060 0.000 2.482 149 F HA 0.688 5.216 4.527 0.001 0.000 0.331 149 F C -0.431 175.342 175.800 -0.046 0.000 1.115 149 F CA -1.238 56.714 58.000 -0.080 0.000 0.955 149 F CB 2.082 41.012 39.000 -0.116 0.000 1.136 149 F HN 0.433 nan 8.300 nan 0.000 0.452 150 V N 3.048 123.054 119.914 0.154 0.000 2.483 150 V HA 0.286 4.406 4.120 0.001 0.000 0.297 150 V C -0.740 175.395 176.094 0.069 0.000 1.027 150 V CA -1.173 61.174 62.300 0.078 0.000 0.855 150 V CB 1.485 33.325 31.823 0.029 0.000 0.995 150 V HN 0.797 nan 8.190 nan 0.000 0.424 151 D N 4.239 124.684 120.400 0.076 0.000 2.708 151 D HA -0.212 4.429 4.640 0.001 0.000 0.236 151 D C 1.345 177.750 176.300 0.175 0.000 1.146 151 D CA 1.593 55.653 54.000 0.100 0.000 0.662 151 D CB -1.095 39.748 40.800 0.072 0.000 1.059 151 D HN 1.439 nan 8.370 nan 0.000 0.428 152 G N -0.828 108.050 108.800 0.129 0.000 2.212 152 G HA2 -0.379 3.581 3.960 0.001 0.000 0.266 152 G HA3 -0.379 3.581 3.960 0.001 0.000 0.266 152 G C 0.335 175.309 174.900 0.124 0.000 0.978 152 G CA 0.915 46.080 45.100 0.108 0.000 0.632 152 G HN 0.518 nan 8.290 nan 0.000 0.537 153 K N 0.377 120.833 120.400 0.094 0.000 2.118 153 K HA 0.492 4.812 4.320 0.001 0.000 0.254 153 K C 0.441 177.131 176.600 0.150 0.000 0.961 153 K CA -0.649 55.650 56.287 0.020 0.000 0.876 153 K CB 1.358 33.757 32.500 -0.167 0.000 1.077 153 K HN 0.309 nan 8.250 nan 0.000 0.440 154 Q N 1.960 121.851 119.800 0.152 0.000 2.311 154 Q HA 0.115 4.456 4.340 0.001 0.000 0.272 154 Q C -1.115 174.877 176.000 -0.013 0.000 1.012 154 Q CA -0.113 55.789 55.803 0.166 0.000 0.891 154 Q CB 0.659 29.458 28.738 0.103 0.000 1.201 154 Q HN 0.282 nan 8.270 nan 0.000 0.391 155 V N 4.298 124.177 119.914 -0.059 0.000 2.555 155 V HA 0.307 4.428 4.120 0.001 0.000 0.302 155 V C -1.011 174.964 176.094 -0.198 0.000 1.038 155 V CA -0.729 61.499 62.300 -0.120 0.000 0.887 155 V CB 2.058 33.839 31.823 -0.070 0.000 0.991 155 V HN 0.871 nan 8.190 nan 0.000 0.434 156 E N 2.998 123.028 120.200 -0.284 0.000 2.129 156 E HA 0.726 5.077 4.350 0.001 0.000 0.268 156 E C -0.356 176.175 176.600 -0.115 0.000 0.900 156 E CA -0.146 56.027 56.400 -0.378 0.000 0.755 156 E CB 1.864 31.096 29.700 -0.781 0.000 1.117 156 E HN 0.862 nan 8.360 nan 0.000 0.410 157 A N 3.942 126.776 122.820 0.023 0.000 2.350 157 A HA 0.777 5.098 4.320 0.001 0.000 0.318 157 A C -2.547 175.076 177.584 0.066 0.000 1.132 157 A CA -2.051 49.996 52.037 0.017 0.000 0.811 157 A CB 0.744 19.750 19.000 0.008 0.000 1.313 157 A HN 0.379 nan 8.150 nan 0.000 0.454 158 P HA 0.124 nan 4.420 nan 0.000 0.268 158 P C -0.973 176.405 177.300 0.129 0.000 1.204 158 P CA 0.245 63.331 63.100 -0.025 0.000 0.768 158 P CB 0.432 31.903 31.700 -0.381 0.000 0.842 159 D N 2.202 122.747 120.400 0.241 0.000 2.563 159 D HA 0.035 4.676 4.640 0.001 0.000 0.222 159 D C -0.550 175.960 176.300 0.350 0.000 1.145 159 D CA -0.150 53.980 54.000 0.218 0.000 1.001 159 D CB -0.605 40.273 40.800 0.130 0.000 1.049 159 D HN 0.147 nan 8.370 nan 0.000 0.515 160 D N 2.451 123.031 120.400 0.299 0.000 2.343 160 D HA -0.032 4.609 4.640 0.001 0.000 0.255 160 D C 0.563 176.880 176.300 0.029 0.000 1.187 160 D CA -0.361 53.770 54.000 0.219 0.000 0.875 160 D CB 0.376 41.260 40.800 0.140 0.000 1.136 160 D HN 0.478 nan 8.370 nan 0.000 0.469 161 W N 4.500 125.686 121.300 -0.191 0.000 2.818 161 W HA 0.192 4.853 4.660 0.001 0.000 0.403 161 W C -0.458 176.025 176.519 -0.061 0.000 0.991 161 W CA -0.449 56.789 57.345 -0.179 0.000 1.925 161 W CB -1.185 28.232 29.460 -0.072 0.000 1.166 161 W HN 0.441 nan 8.180 nan 0.000 0.605 162 H N 0.926 119.874 119.070 -0.203 0.000 2.756 162 H HA -0.221 4.336 4.556 0.001 0.000 0.315 162 H C 1.813 176.853 175.328 -0.480 0.000 1.210 162 H CA 1.302 57.219 56.048 -0.218 0.000 1.150 162 H CB -1.844 27.939 29.762 0.035 0.000 1.463 162 H HN 0.392 nan 8.280 nan 0.000 0.427 163 R N 1.024 120.877 120.500 -1.078 0.000 2.112 163 R HA -0.213 4.128 4.340 0.001 0.000 0.242 163 R C 2.227 178.227 176.300 -0.500 0.000 1.137 163 R CA 2.572 57.848 56.100 -1.375 0.000 0.944 163 R CB -0.114 29.422 30.300 -1.274 0.000 0.857 163 R HN 0.448 nan 8.270 nan 0.000 0.435 164 S N -0.391 115.057 115.700 -0.421 0.000 2.474 164 S HA -0.020 4.451 4.470 0.001 0.000 0.235 164 S C 1.179 175.752 174.600 -0.044 0.000 0.997 164 S CA 0.917 58.914 58.200 -0.337 0.000 0.949 164 S CB -0.027 63.006 63.200 -0.279 0.000 0.766 164 S HN 0.406 nan 8.310 nan 0.000 0.517 165 N N 0.158 118.883 118.700 0.043 0.000 2.214 165 N HA 0.162 4.903 4.740 0.001 0.000 0.214 165 N C -0.850 174.807 175.510 0.245 0.000 1.132 165 N CA -0.167 52.962 53.050 0.132 0.000 0.856 165 N CB 0.156 38.689 38.487 0.077 0.000 1.020 165 N HN 0.495 nan 8.380 nan 0.000 0.509 166 Y N 4.022 124.465 120.300 0.238 0.000 2.544 166 Y HA 0.117 4.668 4.550 0.001 0.000 0.330 166 Y C -1.230 174.820 175.900 0.250 0.000 1.136 166 Y CA -1.447 56.848 58.100 0.325 0.000 1.417 166 Y CB 1.007 39.675 38.460 0.347 0.000 1.229 166 Y HN 0.065 nan 8.280 nan 0.000 0.532 167 P HA -0.104 nan 4.420 nan 0.000 0.229 167 P C 0.442 177.448 177.300 -0.489 0.000 1.160 167 P CA 1.238 64.048 63.100 -0.484 0.000 0.777 167 P CB 0.039 31.246 31.700 -0.823 0.000 0.814 168 W N -1.399 119.726 121.300 -0.292 0.000 3.139 168 W HA 0.203 4.864 4.660 0.001 0.000 0.260 168 W C 0.623 177.213 176.519 0.118 0.000 1.312 168 W CA -0.539 56.764 57.345 -0.070 0.000 1.606 168 W CB -0.396 29.043 29.460 -0.036 0.000 1.118 168 W HN -0.255 nan 8.180 nan 0.000 0.675 169 F N 2.407 122.598 119.950 0.402 0.000 2.418 169 F HA 0.242 4.770 4.527 0.001 0.000 0.341 169 F C 1.115 177.056 175.800 0.234 0.000 1.120 169 F CA -0.884 57.361 58.000 0.409 0.000 1.232 169 F CB 0.480 39.828 39.000 0.581 0.000 1.175 169 F HN -0.137 nan 8.300 nan 0.000 0.569 170 R N 1.722 122.474 120.500 0.421 0.000 2.750 170 R HA 0.592 4.933 4.340 0.001 0.000 0.281 170 R C -1.923 174.327 176.300 -0.084 0.000 0.972 170 R CA -0.968 55.208 56.100 0.126 0.000 0.912 170 R CB 1.811 32.147 30.300 0.061 0.000 1.187 170 R HN 0.670 nan 8.270 nan 0.000 0.464 171 H N 1.503 120.317 119.070 -0.427 0.000 2.800 171 H HA 0.305 4.862 4.556 0.001 0.000 0.322 171 H C -1.527 173.540 175.328 -0.434 0.000 0.979 171 H CA -0.870 54.736 56.048 -0.736 0.000 1.277 171 H CB 1.277 30.114 29.762 -1.541 0.000 1.484 171 H HN 0.689 nan 8.280 nan 0.000 0.512 172 N N 3.638 121.980 118.700 -0.596 0.000 2.462 172 N HA 0.034 4.774 4.740 0.001 0.000 0.242 172 N C 0.848 175.980 175.510 -0.630 0.000 1.010 172 N CA -0.202 52.538 53.050 -0.516 0.000 0.939 172 N CB 0.730 39.062 38.487 -0.258 0.000 1.127 172 N HN 0.920 nan 8.380 nan 0.000 0.509 173 E N 2.673 122.439 120.200 -0.724 0.000 2.267 173 E HA -0.178 4.173 4.350 0.001 0.000 0.197 173 E C 1.117 177.619 176.600 -0.163 0.000 0.998 173 E CA 1.203 57.349 56.400 -0.424 0.000 0.830 173 E CB -0.078 29.460 29.700 -0.270 0.000 0.751 173 E HN 0.516 nan 8.360 nan 0.000 0.491 174 A N 1.302 124.029 122.820 -0.155 0.000 2.119 174 A HA 0.039 4.359 4.320 0.001 0.000 0.217 174 A C 2.025 179.592 177.584 -0.028 0.000 1.153 174 A CA 0.514 52.504 52.037 -0.077 0.000 0.692 174 A CB -0.356 18.597 19.000 -0.078 0.000 0.799 174 A HN 0.300 nan 8.150 nan 0.000 0.458 175 L N -0.025 121.188 121.223 -0.017 0.000 2.591 175 L HA 0.070 4.411 4.340 0.001 0.000 0.228 175 L C -0.319 176.666 176.870 0.191 0.000 1.133 175 L CA -0.445 54.447 54.840 0.086 0.000 0.880 175 L CB -0.424 41.683 42.059 0.080 0.000 1.033 175 L HN 0.158 nan 8.230 nan 0.000 0.450 176 D N 0.811 121.295 120.400 0.139 0.000 2.400 176 D HA 0.186 4.827 4.640 0.001 0.000 0.238 176 D C -0.064 176.294 176.300 0.097 0.000 1.157 176 D CA 0.435 54.542 54.000 0.180 0.000 0.889 176 D CB 1.910 42.783 40.800 0.122 0.000 1.199 176 D HN -0.153 nan 8.370 nan 0.000 0.436 177 V N 0.754 120.695 119.914 0.045 0.000 2.760 177 V HA 0.319 4.440 4.120 0.001 0.000 0.309 177 V C -1.314 174.744 176.094 -0.060 0.000 1.077 177 V CA -0.838 61.421 62.300 -0.068 0.000 0.910 177 V CB 2.088 33.784 31.823 -0.212 0.000 1.008 177 V HN 0.296 nan 8.190 nan 0.000 0.424 178 Q N 3.796 123.558 119.800 -0.064 0.000 2.279 178 Q HA 0.547 4.888 4.340 0.001 0.000 0.256 178 Q C -0.842 175.128 176.000 -0.050 0.000 0.937 178 Q CA -0.230 55.536 55.803 -0.060 0.000 0.933 178 Q CB 1.895 30.587 28.738 -0.077 0.000 1.189 178 Q HN 0.710 nan 8.270 nan 0.000 0.417 179 V N 1.832 121.745 119.914 -0.001 0.000 2.444 179 V HA 0.516 4.636 4.120 0.001 0.000 0.294 179 V C 0.422 176.583 176.094 0.113 0.000 1.022 179 V CA -0.807 61.531 62.300 0.062 0.000 0.850 179 V CB 1.817 33.710 31.823 0.116 0.000 0.992 179 V HN 0.853 nan 8.190 nan 0.000 0.426 180 G N 3.826 112.682 108.800 0.094 0.000 2.448 180 G HA2 0.715 4.676 3.960 0.001 0.000 0.285 180 G HA3 0.715 4.676 3.960 0.001 0.000 0.285 180 G C -0.960 174.128 174.900 0.313 0.000 1.176 180 G CA -0.285 44.797 45.100 -0.029 0.000 0.852 180 G HN 0.662 nan 8.290 nan 0.000 0.530 181 I N -0.337 120.414 120.570 0.302 0.000 2.913 181 I HA 0.608 4.778 4.170 0.001 0.000 0.302 181 I C 0.682 177.025 176.117 0.378 0.000 1.246 181 I CA 0.477 62.042 61.300 0.442 0.000 1.010 181 I CB 1.930 40.171 38.000 0.401 0.000 1.259 181 I HN 1.230 nan 8.210 nan 0.000 0.434 182 G N 3.518 112.537 108.800 0.366 0.000 2.569 182 G HA2 0.234 4.195 3.960 0.001 0.000 0.259 182 G HA3 0.234 4.195 3.960 0.001 0.000 0.259 182 G C 0.554 175.684 174.900 0.384 0.000 1.263 182 G CA -0.073 45.194 45.100 0.278 0.000 0.928 182 G HN 2.225 nan 8.290 nan 0.000 0.572 183 G N -0.776 108.177 108.800 0.254 0.000 2.512 183 G HA2 0.325 4.286 3.960 0.001 0.000 0.254 183 G HA3 0.325 4.286 3.960 0.001 0.000 0.254 183 G C 0.048 175.105 174.900 0.260 0.000 1.199 183 G CA 1.744 46.986 45.100 0.237 0.000 0.941 183 G HN 2.486 nan 8.290 nan 0.000 0.569 184 K N -2.039 118.540 120.400 0.298 0.000 2.548 184 K HA 0.727 5.047 4.320 0.001 0.000 0.282 184 K C -1.254 175.531 176.600 0.308 0.000 1.006 184 K CA -1.028 55.402 56.287 0.240 0.000 0.892 184 K CB 2.027 34.614 32.500 0.145 0.000 1.499 184 K HN 0.847 nan 8.250 nan 0.000 0.433 185 V N 1.912 121.936 119.914 0.184 0.000 2.394 185 V HA 0.255 4.376 4.120 0.001 0.000 0.282 185 V C 0.438 176.599 176.094 0.112 0.000 1.031 185 V CA -0.536 61.860 62.300 0.160 0.000 0.881 185 V CB 1.204 33.069 31.823 0.071 0.000 0.982 185 V HN 0.997 nan 8.190 nan 0.000 0.451 186 T N 2.197 116.817 114.554 0.110 0.000 2.766 186 T HA 0.203 4.553 4.350 0.001 0.000 0.295 186 T C 1.153 175.889 174.700 0.060 0.000 1.024 186 T CA -0.561 61.585 62.100 0.077 0.000 1.018 186 T CB 0.666 69.575 68.868 0.069 0.000 1.002 186 T HN 0.458 nan 8.240 nan 0.000 0.532 187 K N 0.984 121.412 120.400 0.047 0.000 2.152 187 K HA -0.099 4.222 4.320 0.001 0.000 0.206 187 K C 1.499 178.121 176.600 0.037 0.000 1.048 187 K CA 1.497 57.807 56.287 0.038 0.000 0.933 187 K CB -0.621 31.898 32.500 0.031 0.000 0.721 187 K HN 0.880 nan 8.250 nan 0.000 0.447 188 D N -1.052 119.372 120.400 0.041 0.000 2.336 188 D HA 0.086 4.726 4.640 0.001 0.000 0.228 188 D C 0.851 177.181 176.300 0.049 0.000 1.120 188 D CA 0.504 54.528 54.000 0.040 0.000 0.839 188 D CB -0.166 40.656 40.800 0.037 0.000 0.932 188 D HN 0.203 nan 8.370 nan 0.000 0.509 189 G N 0.556 109.390 108.800 0.056 0.000 2.132 189 G HA2 -0.300 3.660 3.960 0.001 0.000 0.234 189 G HA3 -0.300 3.660 3.960 0.001 0.000 0.234 189 G C 0.065 175.019 174.900 0.091 0.000 0.989 189 G CA -0.356 44.783 45.100 0.065 0.000 0.676 189 G HN 0.439 nan 8.290 nan 0.000 0.522 190 R N -1.019 119.543 120.500 0.104 0.000 2.312 190 R HA 0.413 4.754 4.340 0.001 0.000 0.311 190 R C -0.303 176.131 176.300 0.224 0.000 1.004 190 R CA -0.855 55.326 56.100 0.136 0.000 0.902 190 R CB 0.878 31.233 30.300 0.092 0.000 1.073 190 R HN 0.192 nan 8.270 nan 0.000 0.457 191 W N 3.884 125.195 121.300 0.018 0.000 2.335 191 W HA 0.139 4.800 4.660 0.001 0.000 0.306 191 W C -0.722 175.816 176.519 0.032 0.000 1.216 191 W CA -0.913 56.447 57.345 0.025 0.000 1.237 191 W CB 0.657 30.129 29.460 0.021 0.000 1.243 191 W HN 0.509 nan 8.180 nan 0.000 0.493 192 E N 7.956 128.217 120.200 0.103 0.000 2.256 192 E HA 0.230 4.581 4.350 0.001 0.000 0.243 192 E C -2.215 174.270 176.600 -0.193 0.000 0.925 192 E CA -1.875 54.458 56.400 -0.111 0.000 0.748 192 E CB 1.092 30.801 29.700 0.014 0.000 1.206 192 E HN 0.098 nan 8.360 nan 0.000 0.428 193 P HA -0.058 nan 4.420 nan 0.000 0.272 193 P C 0.313 177.581 177.300 -0.054 0.000 1.223 193 P CA 0.024 62.919 63.100 -0.341 0.000 0.784 193 P CB 0.654 31.989 31.700 -0.609 0.000 0.923 194 E N 1.000 121.258 120.200 0.096 0.000 2.452 194 E HA 0.116 4.467 4.350 0.001 0.000 0.197 194 E C -0.377 176.362 176.600 0.232 0.000 1.022 194 E CA 0.167 56.649 56.400 0.137 0.000 0.890 194 E CB 0.091 29.882 29.700 0.151 0.000 0.918 194 E HN 0.330 nan 8.360 nan 0.000 0.496 195 F N 0.785 120.761 119.950 0.044 0.000 2.628 195 F HA 0.389 4.917 4.527 0.001 0.000 0.309 195 F C -1.531 174.312 175.800 0.071 0.000 1.108 195 F CA -0.536 57.518 58.000 0.089 0.000 0.971 195 F CB 2.504 41.568 39.000 0.106 0.000 1.279 195 F HN -0.286 nan 8.300 nan 0.000 0.441 196 T N 6.535 120.870 114.554 -0.366 0.000 2.809 196 T HA 0.592 4.942 4.350 0.001 0.000 0.284 196 T C -0.479 173.953 174.700 -0.447 0.000 0.992 196 T CA -0.345 61.582 62.100 -0.287 0.000 0.957 196 T CB 0.939 69.656 68.868 -0.252 0.000 0.942 196 T HN 0.377 nan 8.240 nan 0.000 0.439 197 I N 2.496 122.983 120.570 -0.139 0.000 2.392 197 I HA 0.318 4.489 4.170 0.001 0.000 0.295 197 I C 0.475 176.569 176.117 -0.038 0.000 0.985 197 I CA -0.601 60.656 61.300 -0.072 0.000 1.221 197 I CB 1.603 39.665 38.000 0.103 0.000 1.366 197 I HN 0.456 nan 8.210 nan 0.000 0.467 198 T N 4.723 119.239 114.554 -0.064 0.000 2.733 198 T HA 0.362 4.713 4.350 0.001 0.000 0.294 198 T C 0.320 175.135 174.700 0.191 0.000 0.956 198 T CA -0.546 61.565 62.100 0.019 0.000 0.987 198 T CB 0.921 69.760 68.868 -0.049 0.000 0.920 198 T HN 0.789 nan 8.240 nan 0.000 0.470 199 G N 2.997 111.974 108.800 0.295 0.000 2.338 199 G HA2 0.474 4.434 3.960 0.001 0.000 0.298 199 G HA3 0.474 4.434 3.960 0.001 0.000 0.298 199 G C -0.570 174.606 174.900 0.460 0.000 1.140 199 G CA -0.543 44.852 45.100 0.492 0.000 0.860 199 G HN 0.623 nan 8.290 nan 0.000 0.470 200 Q N 0.335 120.463 119.800 0.547 0.000 2.312 200 Q HA 0.553 4.894 4.340 0.001 0.000 0.263 200 Q C -0.212 176.046 176.000 0.430 0.000 0.995 200 Q CA -0.757 55.298 55.803 0.420 0.000 0.853 200 Q CB 2.508 31.358 28.738 0.186 0.000 1.300 200 Q HN 0.654 nan 8.270 nan 0.000 0.448 201 A N 2.548 125.468 122.820 0.166 0.000 2.302 201 A HA 0.343 4.664 4.320 0.001 0.000 0.295 201 A C -1.463 175.934 177.584 -0.311 0.000 1.235 201 A CA -0.285 51.565 52.037 -0.313 0.000 0.876 201 A CB -0.028 18.720 19.000 -0.420 0.000 1.133 201 A HN 0.674 nan 8.150 nan 0.000 0.533 202 W N 2.196 123.338 121.300 -0.264 0.000 2.294 202 W HA 0.420 5.080 4.660 0.001 0.000 0.314 202 W C -0.828 175.687 176.519 -0.008 0.000 1.044 202 W CA -0.167 57.016 57.345 -0.269 0.000 1.284 202 W CB 1.494 30.537 29.460 -0.695 0.000 1.231 202 W HN 0.551 nan 8.180 nan 0.000 0.419 203 D N 3.537 124.083 120.400 0.244 0.000 2.193 203 D HA 0.469 5.110 4.640 0.001 0.000 0.244 203 D C -0.493 176.041 176.300 0.389 0.000 1.064 203 D CA -0.353 53.764 54.000 0.195 0.000 0.845 203 D CB 1.739 42.566 40.800 0.045 0.000 1.148 203 D HN 0.142 nan 8.370 nan 0.000 0.464 204 L N 3.316 124.669 121.223 0.217 0.000 2.334 204 L HA 0.448 4.789 4.340 0.001 0.000 0.276 204 L C -2.273 174.621 176.870 0.041 0.000 1.014 204 L CA -1.925 52.992 54.840 0.127 0.000 0.815 204 L CB 2.116 44.171 42.059 -0.008 0.000 1.268 204 L HN 0.105 nan 8.230 nan 0.000 0.428 205 P HA 0.182 nan 4.420 nan 0.000 0.286 205 P C -0.906 176.335 177.300 -0.098 0.000 1.269 205 P CA -0.359 62.738 63.100 -0.005 0.000 0.787 205 P CB 1.435 33.167 31.700 0.052 0.000 0.920 206 V N 4.710 124.569 119.914 -0.092 0.000 2.350 206 V HA 0.183 4.304 4.120 0.001 0.000 0.276 206 V C 0.408 176.439 176.094 -0.104 0.000 1.028 206 V CA -0.639 61.595 62.300 -0.110 0.000 0.860 206 V CB 1.540 33.311 31.823 -0.087 0.000 0.990 206 V HN 0.265 nan 8.190 nan 0.000 0.453 207 V N 4.688 124.519 119.914 -0.138 0.000 2.407 207 V HA 0.574 4.695 4.120 0.001 0.000 0.278 207 V C 1.017 177.048 176.094 -0.106 0.000 1.037 207 V CA -0.238 61.978 62.300 -0.141 0.000 0.900 207 V CB 1.377 33.075 31.823 -0.209 0.000 0.983 207 V HN 0.933 nan 8.190 nan 0.000 0.459 208 G N 2.555 111.300 108.800 -0.091 0.000 2.572 208 G HA2 0.270 4.230 3.960 0.001 0.000 0.261 208 G HA3 0.270 4.230 3.960 0.001 0.000 0.261 208 G C -0.822 174.058 174.900 -0.033 0.000 1.197 208 G CA -0.312 44.759 45.100 -0.048 0.000 0.870 208 G HN 0.669 nan 8.290 nan 0.000 0.548 209 Y N 1.942 122.174 120.300 -0.113 0.000 2.531 209 Y HA 0.221 4.772 4.550 0.001 0.000 0.347 209 Y C 1.240 177.068 175.900 -0.120 0.000 1.024 209 Y CA -0.398 57.627 58.100 -0.126 0.000 1.306 209 Y CB 0.286 38.671 38.460 -0.125 0.000 1.149 209 Y HN 0.611 nan 8.280 nan 0.000 0.527 210 R N 3.021 123.167 120.500 -0.591 0.000 3.610 210 R HA -0.268 4.073 4.340 0.001 0.000 0.274 210 R C -0.185 175.966 176.300 -0.250 0.000 1.123 210 R CA 1.125 56.923 56.100 -0.503 0.000 0.747 210 R CB -2.517 27.334 30.300 -0.748 0.000 1.149 210 R HN 0.893 nan 8.270 nan 0.000 0.471 211 N N -2.270 116.322 118.700 -0.180 0.000 2.118 211 N HA 0.106 4.847 4.740 0.001 0.000 0.226 211 N C 0.985 176.419 175.510 -0.127 0.000 1.305 211 N CA 0.657 53.633 53.050 -0.123 0.000 0.890 211 N CB 0.456 38.891 38.487 -0.086 0.000 1.118 211 N HN 0.292 nan 8.380 nan 0.000 0.511 212 G N 0.106 108.821 108.800 -0.142 0.000 2.184 212 G HA2 -0.263 3.697 3.960 0.001 0.000 0.264 212 G HA3 -0.263 3.697 3.960 0.001 0.000 0.264 212 G C -0.283 174.526 174.900 -0.152 0.000 0.975 212 G CA 0.461 45.480 45.100 -0.134 0.000 0.642 212 G HN 0.312 nan 8.290 nan 0.000 0.536 213 V N 0.784 120.608 119.914 -0.151 0.000 2.583 213 V HA 0.666 4.787 4.120 0.001 0.000 0.287 213 V C 0.652 176.685 176.094 -0.102 0.000 1.051 213 V CA 0.467 62.676 62.300 -0.150 0.000 1.010 213 V CB 1.435 33.184 31.823 -0.124 0.000 0.988 213 V HN 1.435 nan 8.190 nan 0.000 0.478 214 A N 5.589 128.371 122.820 -0.063 0.000 2.437 214 A HA 0.774 5.095 4.320 0.001 0.000 0.293 214 A C -0.749 176.845 177.584 0.017 0.000 1.038 214 A CA -0.728 51.290 52.037 -0.031 0.000 0.708 214 A CB 1.502 20.494 19.000 -0.013 0.000 1.251 214 A HN 0.821 nan 8.150 nan 0.000 0.409 215 Q N 1.878 121.676 119.800 -0.003 0.000 2.495 215 Q HA 0.743 5.084 4.340 0.001 0.000 0.287 215 Q C -2.989 172.993 176.000 -0.030 0.000 1.078 215 Q CA -2.352 53.460 55.803 0.016 0.000 0.793 215 Q CB 2.544 31.296 28.738 0.025 0.000 1.459 215 Q HN 0.417 nan 8.270 nan 0.000 0.422 216 P HA 0.171 nan 4.420 nan 0.000 0.284 216 P C -1.126 176.064 177.300 -0.184 0.000 1.253 216 P CA -0.610 62.432 63.100 -0.096 0.000 0.800 216 P CB 0.708 32.346 31.700 -0.103 0.000 0.961 217 L N 3.558 124.661 121.223 -0.199 0.000 2.255 217 L HA 0.423 4.763 4.340 0.001 0.000 0.289 217 L C 0.183 176.873 176.870 -0.300 0.000 1.046 217 L CA -0.514 54.123 54.840 -0.338 0.000 0.816 217 L CB -0.008 41.842 42.059 -0.349 0.000 1.197 217 L HN 0.296 nan 8.230 nan 0.000 0.427 218 R N 5.610 125.848 120.500 -0.437 0.000 2.198 218 R HA 0.543 4.884 4.340 0.001 0.000 0.339 218 R C -1.481 174.531 176.300 -0.480 0.000 1.020 218 R CA -0.379 55.439 56.100 -0.470 0.000 0.864 218 R CB 0.366 30.282 30.300 -0.640 0.000 1.105 218 R HN 0.757 nan 8.270 nan 0.000 0.463 219 L N 5.653 126.697 121.223 -0.298 0.000 2.280 219 L HA 0.411 4.752 4.340 0.001 0.000 0.287 219 L C -0.643 176.146 176.870 -0.135 0.000 1.023 219 L CA -0.807 53.947 54.840 -0.144 0.000 0.819 219 L CB 1.009 43.128 42.059 0.100 0.000 1.212 219 L HN 0.560 nan 8.230 nan 0.000 0.420 220 W N 2.963 124.351 121.300 0.146 0.000 2.238 220 W HA 0.360 5.021 4.660 0.001 0.000 0.321 220 W C 0.377 177.071 176.519 0.291 0.000 1.293 220 W CA -0.088 57.370 57.345 0.187 0.000 1.204 220 W CB 0.602 30.038 29.460 -0.039 0.000 1.167 220 W HN 0.432 nan 8.180 nan 0.000 0.553 221 Q N 2.328 122.483 119.800 0.592 0.000 2.333 221 Q HA 0.658 4.998 4.340 0.001 0.000 0.267 221 Q C -0.750 175.462 176.000 0.353 0.000 1.012 221 Q CA -0.735 55.260 55.803 0.321 0.000 0.824 221 Q CB 1.597 30.355 28.738 0.033 0.000 1.290 221 Q HN 0.598 nan 8.270 nan 0.000 0.449 222 A N 2.641 125.466 122.820 0.009 0.000 2.301 222 A HA 0.680 5.000 4.320 0.001 0.000 0.298 222 A C -0.232 177.309 177.584 -0.072 0.000 1.185 222 A CA 0.009 51.872 52.037 -0.290 0.000 0.830 222 A CB 0.678 19.211 19.000 -0.778 0.000 1.112 222 A HN 0.804 nan 8.150 nan 0.000 0.508 223 T N -0.659 113.894 114.554 -0.001 0.000 2.778 223 T HA 0.602 4.953 4.350 0.001 0.000 0.293 223 T C -0.845 173.890 174.700 0.057 0.000 1.144 223 T CA -0.648 61.478 62.100 0.045 0.000 1.010 223 T CB 1.456 70.359 68.868 0.058 0.000 1.325 223 T HN 0.729 nan 8.240 nan 0.000 0.515 224 H N -0.758 118.310 119.070 -0.003 0.000 2.622 224 H HA 0.642 5.199 4.556 0.001 0.000 0.363 224 H C 1.053 176.333 175.328 -0.080 0.000 1.151 224 H CA -0.090 55.928 56.048 -0.049 0.000 1.184 224 H CB 2.220 31.974 29.762 -0.014 0.000 1.643 224 H HN 0.878 nan 8.280 nan 0.000 0.531 225 A N 3.574 126.176 122.820 -0.364 0.000 1.972 225 A HA -0.121 4.200 4.320 0.001 0.000 0.219 225 A C 0.370 177.687 177.584 -0.444 0.000 1.169 225 A CA 1.173 53.002 52.037 -0.347 0.000 0.635 225 A CB -0.053 18.688 19.000 -0.431 0.000 0.810 225 A HN 0.670 nan 8.150 nan 0.000 0.446 226 H N -1.669 117.657 119.070 0.427 0.000 2.569 226 H HA 0.231 4.788 4.556 0.001 0.000 0.247 226 H C -2.269 173.174 175.328 0.191 0.000 1.346 226 H CA -1.570 54.638 56.048 0.267 0.000 1.502 226 H CB 0.844 30.720 29.762 0.191 0.000 1.512 226 H HN 0.261 nan 8.280 nan 0.000 0.502 227 P HA -0.083 nan 4.420 nan 0.000 0.221 227 P C 0.108 177.547 177.300 0.231 0.000 1.150 227 P CA 0.860 64.078 63.100 0.196 0.000 0.800 227 P CB 0.391 32.202 31.700 0.184 0.000 0.787 228 F N 0.408 120.404 119.950 0.077 0.000 2.507 228 F HA 0.465 4.993 4.527 0.001 0.000 0.325 228 F C -0.804 175.039 175.800 0.072 0.000 1.116 228 F CA -1.469 56.570 58.000 0.066 0.000 0.930 228 F CB 1.352 40.371 39.000 0.031 0.000 1.146 228 F HN -0.366 nan 8.300 nan 0.000 0.447 229 D N 6.066 126.170 120.400 -0.494 0.000 2.427 229 D HA 0.114 4.755 4.640 0.001 0.000 0.226 229 D C 0.592 176.539 176.300 -0.588 0.000 1.076 229 D CA -0.234 53.540 54.000 -0.377 0.000 0.849 229 D CB 1.392 42.071 40.800 -0.201 0.000 1.052 229 D HN 0.696 nan 8.370 nan 0.000 0.515 230 L N 3.989 125.011 121.223 -0.335 0.000 2.217 230 L HA -0.051 4.290 4.340 0.001 0.000 0.211 230 L C 1.823 178.680 176.870 -0.021 0.000 1.107 230 L CA 1.672 56.414 54.840 -0.162 0.000 0.783 230 L CB -0.483 41.625 42.059 0.080 0.000 0.919 230 L HN 0.366 nan 8.230 nan 0.000 0.442 231 T N -0.281 114.247 114.554 -0.043 0.000 2.684 231 T HA -0.205 4.146 4.350 0.001 0.000 0.267 231 T C 1.879 176.564 174.700 -0.026 0.000 1.036 231 T CA 1.828 63.918 62.100 -0.016 0.000 1.148 231 T CB -0.164 68.688 68.868 -0.027 0.000 0.863 231 T HN 0.352 nan 8.240 nan 0.000 0.436 232 K N 0.043 120.402 120.400 -0.069 0.000 2.097 232 K HA -0.048 4.273 4.320 0.001 0.000 0.206 232 K C 2.042 178.604 176.600 -0.063 0.000 1.049 232 K CA 1.171 57.409 56.287 -0.082 0.000 0.933 232 K CB -0.348 32.094 32.500 -0.097 0.000 0.717 232 K HN 0.289 nan 8.250 nan 0.000 0.442 233 F N 2.489 122.343 119.950 -0.161 0.000 2.113 233 F HA -0.157 4.370 4.527 0.001 0.000 0.297 233 F C 1.812 177.664 175.800 0.087 0.000 1.103 233 F CA 1.337 59.347 58.000 0.016 0.000 1.248 233 F CB -0.076 38.970 39.000 0.077 0.000 0.999 233 F HN 0.013 nan 8.300 nan 0.000 0.475 234 N N 0.357 119.231 118.700 0.290 0.000 2.520 234 N HA -0.126 4.615 4.740 0.001 0.000 0.185 234 N C 0.729 176.258 175.510 0.031 0.000 1.068 234 N CA 1.005 54.173 53.050 0.198 0.000 0.911 234 N CB -0.423 38.173 38.487 0.182 0.000 0.961 234 N HN 0.359 nan 8.380 nan 0.000 0.446 235 D N -0.831 119.534 120.400 -0.057 0.000 2.339 235 D HA 0.163 4.804 4.640 0.001 0.000 0.217 235 D C 1.204 177.354 176.300 -0.250 0.000 1.050 235 D CA 0.265 54.196 54.000 -0.115 0.000 0.856 235 D CB 0.123 40.861 40.800 -0.103 0.000 0.922 235 D HN 0.287 nan 8.370 nan 0.000 0.518 236 G N 1.264 109.798 108.800 -0.443 0.000 2.175 236 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 236 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 236 G C 0.150 174.292 174.900 -1.262 0.000 0.982 236 G CA -0.076 44.455 45.100 -0.948 0.000 0.641 236 G HN 0.285 nan 8.290 nan 0.000 0.527 237 D N 0.465 120.416 120.400 -0.749 0.000 2.564 237 D HA 0.458 5.098 4.640 0.001 0.000 0.226 237 D C 1.502 177.584 176.300 -0.364 0.000 1.149 237 D CA -0.850 52.844 54.000 -0.510 0.000 0.994 237 D CB -0.480 40.172 40.800 -0.247 0.000 1.029 237 D HN 0.088 nan 8.370 nan 0.000 0.517 238 F N 1.005 120.857 119.950 -0.163 0.000 2.192 238 F HA -0.162 4.366 4.527 0.001 0.000 0.301 238 F C 1.979 177.834 175.800 0.091 0.000 1.079 238 F CA 0.438 58.380 58.000 -0.096 0.000 1.303 238 F CB -0.584 38.328 39.000 -0.147 0.000 1.024 238 F HN 0.325 nan 8.300 nan 0.000 0.494 239 L N 0.394 121.725 121.223 0.180 0.000 2.084 239 L HA 0.015 4.355 4.340 0.001 0.000 0.202 239 L C 2.387 179.321 176.870 0.106 0.000 1.074 239 L CA 1.519 56.449 54.840 0.149 0.000 0.757 239 L CB -0.649 41.467 42.059 0.095 0.000 0.918 239 L HN -0.089 nan 8.230 nan 0.000 0.444 240 R N -0.174 120.350 120.500 0.040 0.000 2.200 240 R HA -0.095 4.246 4.340 0.001 0.000 0.234 240 R C 2.140 178.451 176.300 0.018 0.000 1.127 240 R CA 0.962 57.071 56.100 0.016 0.000 0.989 240 R CB -0.637 29.649 30.300 -0.024 0.000 0.869 240 R HN 0.533 nan 8.270 nan 0.000 0.459 241 A N 1.336 124.179 122.820 0.038 0.000 2.024 241 A HA -0.160 4.160 4.320 0.001 0.000 0.220 241 A C 1.537 179.139 177.584 0.031 0.000 1.164 241 A CA 1.318 53.343 52.037 -0.020 0.000 0.643 241 A CB -0.060 18.994 19.000 0.090 0.000 0.806 241 A HN 0.171 nan 8.150 nan 0.000 0.451 242 E N -0.844 119.455 120.200 0.165 0.000 2.474 242 E HA -0.032 4.319 4.350 0.001 0.000 0.195 242 E C 1.712 178.387 176.600 0.124 0.000 1.039 242 E CA 0.464 56.989 56.400 0.207 0.000 0.881 242 E CB 0.055 29.897 29.700 0.236 0.000 0.970 242 E HN 0.798 nan 8.360 nan 0.000 0.486 243 Q N 1.678 121.522 119.800 0.074 0.000 2.112 243 Q HA -0.258 4.083 4.340 0.001 0.000 0.206 243 Q C 2.143 178.176 176.000 0.054 0.000 0.987 243 Q CA 2.140 57.973 55.803 0.050 0.000 0.858 243 Q CB -0.066 28.685 28.738 0.022 0.000 0.905 243 Q HN 0.284 nan 8.270 nan 0.000 0.420 244 Q N -1.214 118.613 119.800 0.044 0.000 2.084 244 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 244 Q C 1.927 177.978 176.000 0.086 0.000 0.978 244 Q CA 1.695 57.521 55.803 0.038 0.000 0.844 244 Q CB -0.609 28.055 28.738 -0.123 0.000 0.898 244 Q HN 0.533 nan 8.270 nan 0.000 0.426 245 G N 0.761 109.617 108.800 0.093 0.000 2.418 245 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 245 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 245 G C 1.370 176.358 174.900 0.147 0.000 1.158 245 G CA 0.901 46.091 45.100 0.151 0.000 0.771 245 G HN 0.388 nan 8.290 nan 0.000 0.545 246 I N 0.976 121.616 120.570 0.117 0.000 2.361 246 I HA -0.153 4.018 4.170 0.001 0.000 0.251 246 I C 2.368 178.531 176.117 0.075 0.000 1.133 246 I CA 0.611 61.967 61.300 0.093 0.000 1.413 246 I CB -0.130 37.919 38.000 0.082 0.000 1.073 246 I HN 0.056 nan 8.210 nan 0.000 0.424 247 N N 0.815 119.558 118.700 0.072 0.000 2.309 247 N HA -0.097 4.644 4.740 0.001 0.000 0.182 247 N C 1.792 177.337 175.510 0.060 0.000 1.018 247 N CA 1.442 54.475 53.050 -0.027 0.000 0.876 247 N CB -0.137 38.206 38.487 -0.241 0.000 0.972 247 N HN 0.383 nan 8.380 nan 0.000 0.434 248 A N 1.059 124.045 122.820 0.276 0.000 1.861 248 A HA -0.007 4.314 4.320 0.001 0.000 0.212 248 A C 1.969 179.582 177.584 0.047 0.000 1.199 248 A CA 0.860 53.053 52.037 0.261 0.000 0.613 248 A CB -0.403 18.788 19.000 0.319 0.000 0.846 248 A HN 0.239 nan 8.150 nan 0.000 0.446 249 E N 0.388 120.624 120.200 0.060 0.000 2.265 249 E HA -0.209 4.142 4.350 0.001 0.000 0.196 249 E C 1.855 178.463 176.600 0.012 0.000 0.996 249 E CA 1.264 57.671 56.400 0.013 0.000 0.832 249 E CB -0.185 29.538 29.700 0.037 0.000 0.756 249 E HN 0.815 nan 8.360 nan 0.000 0.491 250 K N 1.126 121.544 120.400 0.030 0.000 2.209 250 K HA -0.138 4.183 4.320 0.001 0.000 0.204 250 K C 1.857 178.486 176.600 0.048 0.000 1.048 250 K CA 1.048 57.364 56.287 0.049 0.000 0.940 250 K CB -0.249 32.274 32.500 0.039 0.000 0.729 250 K HN 0.140 nan 8.250 nan 0.000 0.451 251 L N 1.758 122.973 121.223 -0.014 0.000 2.191 251 L HA -0.083 4.258 4.340 0.001 0.000 0.212 251 L C 1.499 178.410 176.870 0.067 0.000 1.103 251 L CA 1.541 56.376 54.840 -0.009 0.000 0.769 251 L CB -0.717 41.234 42.059 -0.181 0.000 0.908 251 L HN 0.462 nan 8.230 nan 0.000 0.438 252 T N -5.067 109.506 114.554 0.032 0.000 3.308 252 T HA 0.213 4.564 4.350 0.001 0.000 0.270 252 T C 1.142 175.942 174.700 0.165 0.000 0.992 252 T CA -0.584 61.565 62.100 0.081 0.000 0.931 252 T CB 0.424 69.285 68.868 -0.012 0.000 1.142 252 T HN 0.024 nan 8.240 nan 0.000 0.525 253 K N 0.769 121.303 120.400 0.223 0.000 2.141 253 K HA 0.281 4.601 4.320 0.001 0.000 0.202 253 K C 0.428 177.243 176.600 0.358 0.000 1.045 253 K CA 0.556 57.003 56.287 0.267 0.000 0.971 253 K CB 0.386 33.051 32.500 0.275 0.000 0.795 253 K HN 0.294 nan 8.250 nan 0.000 0.459 254 V N 2.401 122.499 119.914 0.307 0.000 2.638 254 V HA 0.201 4.321 4.120 0.001 0.000 0.306 254 V C -0.802 175.246 176.094 -0.077 0.000 1.052 254 V CA -1.150 61.240 62.300 0.150 0.000 0.885 254 V CB 1.990 33.900 31.823 0.144 0.000 0.999 254 V HN 0.093 nan 8.190 nan 0.000 0.424 255 L N 6.103 126.997 121.223 -0.548 0.000 2.380 255 L HA 0.491 4.832 4.340 0.001 0.000 0.273 255 L C -0.318 176.353 176.870 -0.331 0.000 1.138 255 L CA 0.308 54.568 54.840 -0.966 0.000 0.832 255 L CB -0.416 40.897 42.059 -1.245 0.000 1.124 255 L HN 0.703 nan 8.230 nan 0.000 0.454 256 Y N 3.721 123.948 120.300 -0.120 0.000 3.037 256 Y HA -0.187 4.364 4.550 0.001 0.000 0.204 256 Y C -1.920 173.995 175.900 0.024 0.000 1.275 256 Y CA 0.015 58.100 58.100 -0.025 0.000 1.066 256 Y CB -2.524 35.919 38.460 -0.028 0.000 1.305 256 Y HN 0.552 nan 8.280 nan 0.000 0.499 257 P HA -0.046 nan 4.420 nan 0.000 0.268 257 P C 0.586 177.964 177.300 0.131 0.000 1.208 257 P CA -0.062 63.121 63.100 0.138 0.000 0.777 257 P CB 0.753 32.526 31.700 0.122 0.000 0.875 258 N N 2.462 121.223 118.700 0.101 0.000 2.365 258 N HA -0.102 4.638 4.740 0.001 0.000 0.265 258 N C 0.243 175.794 175.510 0.068 0.000 1.288 258 N CA 0.477 53.569 53.050 0.070 0.000 0.869 258 N CB -0.133 38.385 38.487 0.052 0.000 1.071 258 N HN 0.371 nan 8.380 nan 0.000 0.480 259 D N 1.688 122.121 120.400 0.055 0.000 2.593 259 D HA 0.064 4.705 4.640 0.001 0.000 0.241 259 D C 0.287 176.615 176.300 0.047 0.000 1.257 259 D CA -0.205 53.833 54.000 0.064 0.000 0.828 259 D CB -1.030 39.821 40.800 0.086 0.000 1.049 259 D HN 0.504 nan 8.370 nan 0.000 0.490 260 N N 0.024 118.746 118.700 0.035 0.000 2.289 260 N HA -0.023 4.717 4.740 0.001 0.000 0.184 260 N C 0.675 176.236 175.510 0.084 0.000 1.016 260 N CA 0.706 53.782 53.050 0.044 0.000 0.872 260 N CB 0.272 38.788 38.487 0.049 0.000 0.973 260 N HN 0.268 nan 8.380 nan 0.000 0.433 261 A N -0.168 122.710 122.820 0.097 0.000 2.350 261 A HA 0.339 4.659 4.320 0.001 0.000 0.318 261 A C 0.453 178.135 177.584 0.163 0.000 1.132 261 A CA -0.663 51.455 52.037 0.135 0.000 0.811 261 A CB 0.560 19.635 19.000 0.125 0.000 1.313 261 A HN 0.131 nan 8.150 nan 0.000 0.454 262 F N 0.469 120.458 119.950 0.065 0.000 2.091 262 F HA -0.194 4.333 4.527 0.001 0.000 0.299 262 F C 1.931 177.780 175.800 0.081 0.000 1.103 262 F CA 2.721 60.766 58.000 0.075 0.000 1.228 262 F CB -0.109 38.926 39.000 0.059 0.000 0.984 262 F HN 0.797 nan 8.300 nan 0.000 0.477 263 E N -0.328 119.835 120.200 -0.061 0.000 2.153 263 E HA -0.136 4.215 4.350 0.001 0.000 0.194 263 E C 2.471 178.997 176.600 -0.123 0.000 0.988 263 E CA 0.859 57.160 56.400 -0.165 0.000 0.811 263 E CB -0.649 29.053 29.700 0.004 0.000 0.746 263 E HN 0.603 nan 8.360 nan 0.000 0.466 264 G N 1.555 110.337 108.800 -0.031 0.000 2.403 264 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 264 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 264 G C 1.420 176.347 174.900 0.044 0.000 1.154 264 G CA 0.325 45.439 45.100 0.024 0.000 0.784 264 G HN 0.092 nan 8.290 nan 0.000 0.538 265 K N 0.288 120.705 120.400 0.028 0.000 2.025 265 K HA -0.025 4.295 4.320 0.001 0.000 0.207 265 K C 2.392 179.049 176.600 0.095 0.000 1.049 265 K CA 1.174 57.561 56.287 0.166 0.000 0.933 265 K CB -0.126 32.492 32.500 0.196 0.000 0.714 265 K HN 0.193 nan 8.250 nan 0.000 0.438 266 K N 1.090 121.378 120.400 -0.187 0.000 2.097 266 K HA -0.141 4.180 4.320 0.001 0.000 0.206 266 K C 2.166 178.683 176.600 -0.139 0.000 1.049 266 K CA 0.747 56.880 56.287 -0.256 0.000 0.933 266 K CB -0.078 32.145 32.500 -0.462 0.000 0.717 266 K HN -0.015 nan 8.250 nan 0.000 0.442 267 L N 1.606 122.784 121.223 -0.075 0.000 2.012 267 L HA -0.191 4.150 4.340 0.001 0.000 0.210 267 L C 2.107 179.011 176.870 0.057 0.000 1.073 267 L CA 1.681 56.519 54.840 -0.003 0.000 0.748 267 L CB -0.345 41.731 42.059 0.028 0.000 0.891 267 L HN 0.101 nan 8.230 nan 0.000 0.431 268 R N -0.989 119.581 120.500 0.117 0.000 2.091 268 R HA -0.179 4.161 4.340 0.001 0.000 0.238 268 R C 2.188 178.565 176.300 0.129 0.000 1.136 268 R CA 1.680 57.907 56.100 0.211 0.000 0.959 268 R CB -0.747 29.775 30.300 0.370 0.000 0.856 268 R HN 0.347 nan 8.270 nan 0.000 0.437 269 L N 0.816 121.965 121.223 -0.123 0.000 2.056 269 L HA -0.101 4.240 4.340 0.001 0.000 0.207 269 L C 2.099 178.883 176.870 -0.143 0.000 1.078 269 L CA 1.648 56.221 54.840 -0.445 0.000 0.749 269 L CB -0.282 41.174 42.059 -1.004 0.000 0.901 269 L HN 0.144 nan 8.230 nan 0.000 0.433 270 M N -1.403 118.160 119.600 -0.062 0.000 2.159 270 M HA -0.240 4.240 4.480 0.001 0.000 0.263 270 M C 2.237 178.645 176.300 0.180 0.000 1.063 270 M CA 1.685 57.029 55.300 0.074 0.000 1.110 270 M CB -0.458 32.171 32.600 0.049 0.000 1.374 270 M HN 0.368 nan 8.290 nan 0.000 0.411 271 Q N 0.157 120.059 119.800 0.171 0.000 2.084 271 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 271 Q C 2.069 178.225 176.000 0.260 0.000 0.978 271 Q CA 1.469 57.420 55.803 0.246 0.000 0.844 271 Q CB -0.200 28.686 28.738 0.246 0.000 0.898 271 Q HN 0.618 nan 8.270 nan 0.000 0.426 272 Q N -0.438 119.487 119.800 0.209 0.000 2.050 272 Q HA -0.216 4.125 4.340 0.001 0.000 0.202 272 Q C 1.884 177.969 176.000 0.141 0.000 0.980 272 Q CA 1.557 57.477 55.803 0.195 0.000 0.840 272 Q CB -0.279 28.590 28.738 0.218 0.000 0.898 272 Q HN 0.374 nan 8.270 nan 0.000 0.424 273 Y N 0.622 120.931 120.300 0.015 0.000 2.145 273 Y HA -0.288 4.263 4.550 0.001 0.000 0.286 273 Y C 1.964 177.877 175.900 0.022 0.000 1.145 273 Y CA 1.445 59.523 58.100 -0.037 0.000 1.148 273 Y CB -0.591 37.818 38.460 -0.084 0.000 0.981 273 Y HN 0.146 nan 8.280 nan 0.000 0.507 274 F N 1.230 121.070 119.950 -0.184 0.000 2.095 274 F HA -0.256 4.272 4.527 0.001 0.000 0.298 274 F C 2.592 178.213 175.800 -0.298 0.000 1.104 274 F CA 2.409 60.249 58.000 -0.267 0.000 1.232 274 F CB -0.967 38.004 39.000 -0.049 0.000 0.987 274 F HN 0.245 nan 8.300 nan 0.000 0.475 275 Q N -0.332 119.297 119.800 -0.285 0.000 2.077 275 Q HA -0.254 4.087 4.340 0.001 0.000 0.206 275 Q C 2.375 178.149 176.000 -0.376 0.000 0.989 275 Q CA 2.663 58.300 55.803 -0.278 0.000 0.853 275 Q CB -0.598 28.191 28.738 0.085 0.000 0.907 275 Q HN 0.577 nan 8.270 nan 0.000 0.418 276 C N -0.190 118.946 119.300 -0.274 0.000 2.466 276 C HA 0.010 4.471 4.460 0.001 0.000 0.278 276 C C 2.846 177.619 174.990 -0.362 0.000 1.288 276 C CA 0.617 59.503 59.018 -0.220 0.000 1.722 276 C CB -1.261 26.431 27.740 -0.080 0.000 2.017 276 C HN 0.717 nan 8.230 nan 0.000 0.488 277 A N -0.557 121.916 122.820 -0.578 0.000 1.877 277 A HA -0.220 4.101 4.320 0.001 0.000 0.216 277 A C 2.158 179.383 177.584 -0.597 0.000 1.186 277 A CA 2.258 53.960 52.037 -0.559 0.000 0.620 277 A CB -1.171 17.335 19.000 -0.822 0.000 0.822 277 A HN 0.662 nan 8.150 nan 0.000 0.443 278 C N -0.678 118.044 119.300 -0.964 0.000 2.432 278 C HA -0.065 4.396 4.460 0.001 0.000 0.277 278 C C 3.288 177.672 174.990 -1.010 0.000 1.249 278 C CA 1.342 59.543 59.018 -1.362 0.000 1.725 278 C CB -1.292 24.840 27.740 -2.678 0.000 2.028 278 C HN 0.620 nan 8.230 nan 0.000 0.477 279 S N 0.629 115.874 115.700 -0.758 0.000 2.368 279 S HA -0.132 4.339 4.470 0.001 0.000 0.225 279 S C 1.918 176.257 174.600 -0.436 0.000 1.030 279 S CA 1.397 59.272 58.200 -0.540 0.000 0.999 279 S CB -0.385 62.492 63.200 -0.539 0.000 0.844 279 S HN 0.480 nan 8.310 nan 0.000 0.459 280 V N 2.085 121.824 119.914 -0.292 0.000 2.343 280 V HA -0.220 3.901 4.120 0.001 0.000 0.247 280 V C 2.663 178.685 176.094 -0.121 0.000 1.051 280 V CA 1.744 63.954 62.300 -0.150 0.000 1.036 280 V CB -1.194 30.599 31.823 -0.051 0.000 0.654 280 V HN 0.544 nan 8.190 nan 0.000 0.451 281 A N -0.128 122.596 122.820 -0.160 0.000 1.902 281 A HA -0.311 4.010 4.320 0.001 0.000 0.217 281 A C 2.042 179.605 177.584 -0.034 0.000 1.181 281 A CA 2.297 54.273 52.037 -0.101 0.000 0.623 281 A CB -0.697 18.209 19.000 -0.157 0.000 0.818 281 A HN 0.610 nan 8.150 nan 0.000 0.443 282 D N -0.406 119.992 120.400 -0.005 0.000 2.117 282 D HA -0.089 4.551 4.640 0.001 0.000 0.198 282 D C 1.734 178.111 176.300 0.130 0.000 0.982 282 D CA 1.201 55.302 54.000 0.169 0.000 0.828 282 D CB -0.193 40.900 40.800 0.488 0.000 0.967 282 D HN 0.476 nan 8.370 nan 0.000 0.464 283 I N 0.094 120.696 120.570 0.053 0.000 2.163 283 I HA -0.255 3.916 4.170 0.001 0.000 0.243 283 I C 2.298 178.440 176.117 0.042 0.000 1.085 283 I CA 0.788 62.116 61.300 0.046 0.000 1.347 283 I CB -0.183 37.797 38.000 -0.033 0.000 1.044 283 I HN 0.143 nan 8.210 nan 0.000 0.408 284 L N 0.033 121.269 121.223 0.021 0.000 2.093 284 L HA -0.191 4.150 4.340 0.001 0.000 0.208 284 L C 2.748 179.683 176.870 0.109 0.000 1.085 284 L CA 1.167 56.038 54.840 0.052 0.000 0.755 284 L CB -0.575 41.502 42.059 0.030 0.000 0.904 284 L HN 0.248 nan 8.230 nan 0.000 0.435 285 R N 0.546 121.094 120.500 0.079 0.000 2.075 285 R HA -0.194 4.147 4.340 0.001 0.000 0.232 285 R C 2.495 178.853 176.300 0.097 0.000 1.126 285 R CA 1.443 57.595 56.100 0.086 0.000 0.963 285 R CB -0.137 30.200 30.300 0.061 0.000 0.858 285 R HN 0.190 nan 8.270 nan 0.000 0.435 286 R N -0.747 119.796 120.500 0.071 0.000 2.073 286 R HA -0.221 4.120 4.340 0.001 0.000 0.234 286 R C 2.248 178.545 176.300 -0.005 0.000 1.134 286 R CA 2.141 58.251 56.100 0.016 0.000 0.952 286 R CB -0.470 29.823 30.300 -0.012 0.000 0.850 286 R HN 0.375 nan 8.270 nan 0.000 0.433 287 H N -0.269 118.763 119.070 -0.064 0.000 2.319 287 H HA -0.196 4.361 4.556 0.001 0.000 0.299 287 H C 2.155 177.422 175.328 -0.101 0.000 1.092 287 H CA 2.363 58.344 56.048 -0.111 0.000 1.302 287 H CB -0.351 29.358 29.762 -0.088 0.000 1.373 287 H HN 0.338 nan 8.280 nan 0.000 0.497 288 H N -0.106 118.917 119.070 -0.078 0.000 2.353 288 H HA -0.105 4.452 4.556 0.001 0.000 0.300 288 H C 2.061 177.301 175.328 -0.146 0.000 1.090 288 H CA 1.354 57.331 56.048 -0.119 0.000 1.327 288 H CB -0.115 29.629 29.762 -0.030 0.000 1.383 288 H HN 0.329 nan 8.280 nan 0.000 0.508 289 L N 1.021 122.182 121.223 -0.102 0.000 2.275 289 L HA -0.033 4.307 4.340 0.001 0.000 0.215 289 L C 2.381 179.119 176.870 -0.220 0.000 1.119 289 L CA 1.372 56.127 54.840 -0.142 0.000 0.790 289 L CB -1.291 40.738 42.059 -0.050 0.000 0.919 289 L HN 0.307 nan 8.230 nan 0.000 0.443 290 A N -1.319 121.343 122.820 -0.265 0.000 2.238 290 A HA 0.328 4.649 4.320 0.001 0.000 0.208 290 A C 1.670 179.049 177.584 -0.342 0.000 1.177 290 A CA 0.737 52.601 52.037 -0.288 0.000 0.804 290 A CB -0.395 18.415 19.000 -0.318 0.000 0.823 290 A HN 0.529 nan 8.150 nan 0.000 0.482 291 G N -0.552 108.015 108.800 -0.388 0.000 2.148 291 G HA2 -0.271 3.690 3.960 0.001 0.000 0.254 291 G HA3 -0.271 3.690 3.960 0.001 0.000 0.254 291 G C 0.274 174.929 174.900 -0.408 0.000 0.981 291 G CA 0.367 45.247 45.100 -0.367 0.000 0.670 291 G HN 0.676 nan 8.290 nan 0.000 0.528 292 R N -0.054 120.090 120.500 -0.593 0.000 2.528 292 R HA 0.578 4.918 4.340 0.001 0.000 0.271 292 R C 0.115 176.098 176.300 -0.527 0.000 1.056 292 R CA -0.670 55.005 56.100 -0.707 0.000 1.117 292 R CB 0.714 30.251 30.300 -1.271 0.000 1.085 292 R HN -0.014 nan 8.270 nan 0.000 0.530 293 K N 1.772 121.985 120.400 -0.311 0.000 2.118 293 K HA 0.091 4.412 4.320 0.001 0.000 0.267 293 K C 0.938 177.515 176.600 -0.038 0.000 0.991 293 K CA -0.597 55.581 56.287 -0.182 0.000 0.916 293 K CB 1.086 33.427 32.500 -0.266 0.000 1.041 293 K HN 0.302 nan 8.250 nan 0.000 0.455 294 L N 3.088 124.300 121.223 -0.018 0.000 2.079 294 L HA -0.209 4.132 4.340 0.001 0.000 0.210 294 L C 2.434 179.263 176.870 -0.068 0.000 1.081 294 L CA 1.942 56.759 54.840 -0.039 0.000 0.752 294 L CB -0.896 41.080 42.059 -0.138 0.000 0.896 294 L HN 0.790 nan 8.230 nan 0.000 0.433 295 H N -0.381 118.698 119.070 0.016 0.000 2.521 295 H HA -0.093 4.464 4.556 0.001 0.000 0.286 295 H C 1.063 176.403 175.328 0.020 0.000 1.034 295 H CA 1.182 57.232 56.048 0.002 0.000 1.278 295 H CB -0.277 29.492 29.762 0.011 0.000 1.386 295 H HN 0.676 nan 8.280 nan 0.000 0.567 296 E N 1.218 121.221 120.200 -0.329 0.000 2.419 296 E HA 0.086 4.436 4.350 0.001 0.000 0.190 296 E C 1.746 178.386 176.600 0.066 0.000 1.040 296 E CA -0.325 56.043 56.400 -0.053 0.000 0.900 296 E CB 0.044 29.730 29.700 -0.022 0.000 1.054 296 E HN 0.317 nan 8.360 nan 0.000 0.462 297 L N 1.085 122.214 121.223 -0.157 0.000 1.990 297 L HA -0.226 4.115 4.340 0.001 0.000 0.213 297 L C 2.382 179.136 176.870 -0.193 0.000 1.072 297 L CA 2.135 56.718 54.840 -0.428 0.000 0.755 297 L CB -0.552 41.225 42.059 -0.470 0.000 0.889 297 L HN 0.398 nan 8.230 nan 0.000 0.432 298 A N -0.948 121.768 122.820 -0.173 0.000 2.125 298 A HA -0.207 4.114 4.320 0.001 0.000 0.219 298 A C 1.674 179.159 177.584 -0.165 0.000 1.156 298 A CA 1.611 53.538 52.037 -0.183 0.000 0.671 298 A CB -0.434 18.440 19.000 -0.210 0.000 0.794 298 A HN 0.511 nan 8.150 nan 0.000 0.459 299 D N -2.099 118.219 120.400 -0.137 0.000 2.317 299 D HA -0.014 4.627 4.640 0.001 0.000 0.211 299 D C 0.674 176.708 176.300 -0.443 0.000 0.966 299 D CA 1.047 54.874 54.000 -0.289 0.000 0.876 299 D CB -0.012 40.577 40.800 -0.351 0.000 0.927 299 D HN 0.659 nan 8.370 nan 0.000 0.519 300 Y N -0.059 120.228 120.300 -0.021 0.000 2.430 300 Y HA 0.233 4.783 4.550 0.001 0.000 0.254 300 Y C 0.501 176.418 175.900 0.029 0.000 1.088 300 Y CA -0.064 58.054 58.100 0.030 0.000 1.267 300 Y CB 1.163 39.691 38.460 0.114 0.000 1.204 300 Y HN -0.287 nan 8.280 nan 0.000 0.515 301 E N 0.273 120.525 120.200 0.088 0.000 2.331 301 E HA 0.501 4.852 4.350 0.001 0.000 0.275 301 E C -1.514 175.068 176.600 -0.031 0.000 0.895 301 E CA -0.670 55.761 56.400 0.052 0.000 0.753 301 E CB 3.279 32.976 29.700 -0.005 0.000 1.216 301 E HN -0.157 nan 8.360 nan 0.000 0.434 302 V N 3.065 122.969 119.914 -0.017 0.000 2.735 302 V HA 0.579 4.700 4.120 0.001 0.000 0.310 302 V C -1.208 174.871 176.094 -0.024 0.000 1.061 302 V CA -0.657 61.644 62.300 0.002 0.000 0.913 302 V CB 1.656 33.543 31.823 0.106 0.000 1.005 302 V HN 0.598 nan 8.190 nan 0.000 0.428 303 I N 5.088 125.657 120.570 -0.002 0.000 2.410 303 I HA 0.422 4.592 4.170 0.001 0.000 0.286 303 I C -0.741 175.483 176.117 0.177 0.000 1.009 303 I CA -0.615 60.711 61.300 0.042 0.000 1.111 303 I CB 1.830 39.788 38.000 -0.070 0.000 1.262 303 I HN 0.584 nan 8.210 nan 0.000 0.443 304 Q N 6.794 126.677 119.800 0.139 0.000 2.322 304 Q HA 0.458 4.799 4.340 0.001 0.000 0.256 304 Q C -1.247 174.790 176.000 0.062 0.000 0.960 304 Q CA -0.065 55.828 55.803 0.150 0.000 0.934 304 Q CB 0.993 29.831 28.738 0.167 0.000 1.200 304 Q HN 0.560 nan 8.270 nan 0.000 0.435 305 L N 4.267 125.581 121.223 0.151 0.000 2.257 305 L HA 0.458 4.799 4.340 0.001 0.000 0.290 305 L C -0.183 176.795 176.870 0.179 0.000 1.044 305 L CA -0.562 54.377 54.840 0.164 0.000 0.810 305 L CB 0.835 43.010 42.059 0.193 0.000 1.193 305 L HN 0.532 nan 8.230 nan 0.000 0.425 306 N N 4.227 123.005 118.700 0.129 0.000 2.457 306 N HA 0.211 4.952 4.740 0.001 0.000 0.250 306 N C -0.491 175.171 175.510 0.253 0.000 0.982 306 N CA -0.295 52.881 53.050 0.209 0.000 0.941 306 N CB 1.355 39.872 38.487 0.050 0.000 1.120 306 N HN 0.607 nan 8.380 nan 0.000 0.505 307 D N -0.329 120.263 120.400 0.321 0.000 4.121 307 D HA -0.196 4.444 4.640 0.001 0.000 0.291 307 D C 1.027 177.469 176.300 0.236 0.000 2.247 307 D CA 1.518 55.666 54.000 0.246 0.000 1.125 307 D CB -0.254 40.531 40.800 -0.024 0.000 1.032 307 D HN 0.568 nan 8.370 nan 0.000 1.224 308 T N -3.596 110.965 114.554 0.011 0.000 3.100 308 T HA 0.067 4.417 4.350 0.001 0.000 0.253 308 T C 1.478 176.234 174.700 0.093 0.000 1.118 308 T CA 1.417 63.543 62.100 0.044 0.000 1.058 308 T CB -0.372 68.515 68.868 0.033 0.000 0.953 308 T HN 0.483 nan 8.240 nan 0.000 0.515 309 H N 2.900 122.116 119.070 0.244 0.000 2.321 309 H HA -0.027 4.530 4.556 0.001 0.000 0.295 309 H C -0.879 174.575 175.328 0.209 0.000 1.102 309 H CA 1.599 57.804 56.048 0.261 0.000 1.266 309 H CB -1.034 28.893 29.762 0.276 0.000 1.363 309 H HN 0.446 nan 8.280 nan 0.000 0.492 310 P HA 0.136 nan 4.420 nan 0.000 0.259 310 P C 0.433 177.767 177.300 0.056 0.000 1.530 310 P CA 0.290 63.488 63.100 0.163 0.000 1.022 310 P CB 0.552 32.350 31.700 0.163 0.000 1.514 311 T N 0.497 115.082 114.554 0.053 0.000 2.699 311 T HA -0.192 4.159 4.350 0.001 0.000 0.268 311 T C 1.545 176.193 174.700 -0.086 0.000 1.036 311 T CA 1.259 63.324 62.100 -0.057 0.000 1.147 311 T CB -0.776 68.093 68.868 0.001 0.000 0.862 311 T HN 0.092 nan 8.240 nan 0.000 0.446 312 I N 1.418 121.990 120.570 0.003 0.000 2.800 312 I HA -0.103 4.068 4.170 0.001 0.000 0.266 312 I C 2.304 178.426 176.117 0.008 0.000 1.249 312 I CA 0.410 61.715 61.300 0.009 0.000 1.458 312 I CB -0.467 37.542 38.000 0.016 0.000 1.093 312 I HN 0.194 nan 8.210 nan 0.000 0.466 313 A N 0.342 123.125 122.820 -0.061 0.000 1.978 313 A HA -0.199 4.122 4.320 0.001 0.000 0.220 313 A C 2.275 179.753 177.584 -0.176 0.000 1.170 313 A CA 1.950 53.950 52.037 -0.061 0.000 0.636 313 A CB -0.823 18.162 19.000 -0.025 0.000 0.810 313 A HN 0.513 nan 8.150 nan 0.000 0.448 314 I N 0.299 120.582 120.570 -0.478 0.000 2.113 314 I HA -0.147 4.024 4.170 0.001 0.000 0.238 314 I C -0.327 175.744 176.117 -0.076 0.000 1.070 314 I CA 1.541 62.528 61.300 -0.522 0.000 1.332 314 I CB -1.057 36.599 38.000 -0.573 0.000 1.044 314 I HN 0.242 nan 8.210 nan 0.000 0.402 315 P HA -0.187 nan 4.420 nan 0.000 0.220 315 P C 1.283 178.691 177.300 0.179 0.000 1.148 315 P CA 1.539 64.721 63.100 0.136 0.000 0.803 315 P CB 0.013 31.829 31.700 0.194 0.000 0.782 316 E N 0.339 120.702 120.200 0.272 0.000 2.051 316 E HA -0.174 4.177 4.350 0.001 0.000 0.192 316 E C 1.929 178.639 176.600 0.184 0.000 0.991 316 E CA 0.845 57.440 56.400 0.326 0.000 0.799 316 E CB -1.238 28.683 29.700 0.368 0.000 0.748 316 E HN 0.017 nan 8.360 nan 0.000 0.449 317 L N 0.222 121.548 121.223 0.171 0.000 2.056 317 L HA -0.043 4.298 4.340 0.001 0.000 0.207 317 L C 2.152 179.071 176.870 0.082 0.000 1.078 317 L CA 1.556 56.483 54.840 0.145 0.000 0.749 317 L CB -0.663 41.535 42.059 0.230 0.000 0.901 317 L HN 0.291 nan 8.230 nan 0.000 0.433 318 L N -0.686 120.570 121.223 0.054 0.000 2.012 318 L HA -0.264 4.076 4.340 0.001 0.000 0.210 318 L C 2.810 179.687 176.870 0.013 0.000 1.073 318 L CA 1.751 56.579 54.840 -0.019 0.000 0.748 318 L CB -0.641 41.384 42.059 -0.058 0.000 0.891 318 L HN 0.315 nan 8.230 nan 0.000 0.431 319 R N 0.015 120.525 120.500 0.017 0.000 2.096 319 R HA -0.181 4.159 4.340 0.001 0.000 0.240 319 R C 2.188 178.524 176.300 0.060 0.000 1.139 319 R CA 1.995 58.093 56.100 -0.002 0.000 0.952 319 R CB -0.275 29.948 30.300 -0.129 0.000 0.854 319 R HN 0.189 nan 8.270 nan 0.000 0.436 320 V N 1.156 121.125 119.914 0.091 0.000 2.295 320 V HA -0.242 3.879 4.120 0.001 0.000 0.246 320 V C 2.353 178.550 176.094 0.172 0.000 1.049 320 V CA 1.254 63.625 62.300 0.117 0.000 1.024 320 V CB -0.448 31.456 31.823 0.134 0.000 0.648 320 V HN 0.270 nan 8.190 nan 0.000 0.447 321 L N -0.705 120.611 121.223 0.155 0.000 2.046 321 L HA -0.099 4.241 4.340 0.001 0.000 0.208 321 L C 2.168 179.123 176.870 0.143 0.000 1.077 321 L CA 1.909 56.847 54.840 0.165 0.000 0.747 321 L CB -0.910 41.179 42.059 0.050 0.000 0.896 321 L HN 0.253 nan 8.230 nan 0.000 0.432 322 I N -0.902 119.725 120.570 0.095 0.000 2.277 322 I HA -0.197 3.973 4.170 0.001 0.000 0.243 322 I C 1.862 178.037 176.117 0.097 0.000 1.094 322 I CA 0.894 62.256 61.300 0.104 0.000 1.393 322 I CB -0.122 37.952 38.000 0.123 0.000 1.078 322 I HN 0.180 nan 8.210 nan 0.000 0.417 323 D N 0.350 120.797 120.400 0.079 0.000 2.216 323 D HA -0.078 4.563 4.640 0.001 0.000 0.208 323 D C 1.926 178.236 176.300 0.017 0.000 0.960 323 D CA 1.002 55.040 54.000 0.063 0.000 0.861 323 D CB 0.013 40.861 40.800 0.080 0.000 0.985 323 D HN 0.373 nan 8.370 nan 0.000 0.493 324 E N -0.633 119.547 120.200 -0.034 0.000 2.364 324 E HA 0.030 4.380 4.350 0.001 0.000 0.196 324 E C 0.916 177.311 176.600 -0.341 0.000 0.990 324 E CA 0.413 56.695 56.400 -0.197 0.000 0.886 324 E CB 0.374 29.909 29.700 -0.275 0.000 0.866 324 E HN 0.366 nan 8.360 nan 0.000 0.493 325 H N 0.009 119.101 119.070 0.036 0.000 2.893 325 H HA 0.176 4.733 4.556 0.001 0.000 0.270 325 H C -0.031 175.324 175.328 0.044 0.000 1.095 325 H CA 0.124 56.194 56.048 0.036 0.000 1.186 325 H CB 0.904 30.687 29.762 0.035 0.000 1.562 325 H HN 0.009 nan 8.280 nan 0.000 0.536 326 Q N 0.005 119.875 119.800 0.117 0.000 2.481 326 Q HA -0.188 4.153 4.340 0.001 0.000 0.272 326 Q C -0.120 175.946 176.000 0.111 0.000 1.157 326 Q CA 0.610 56.472 55.803 0.100 0.000 0.935 326 Q CB -1.776 27.010 28.738 0.080 0.000 1.338 326 Q HN 0.499 nan 8.270 nan 0.000 0.494 327 M N 0.026 119.699 119.600 0.123 0.000 2.228 327 M HA 0.241 4.721 4.480 0.001 0.000 0.326 327 M C 0.887 177.255 176.300 0.115 0.000 1.122 327 M CA 0.083 55.446 55.300 0.105 0.000 1.161 327 M CB 0.856 33.508 32.600 0.087 0.000 1.437 327 M HN 0.288 nan 8.290 nan 0.000 0.465 328 S N 1.069 116.839 115.700 0.117 0.000 2.593 328 S HA 0.019 4.489 4.470 0.001 0.000 0.269 328 S C 0.867 175.585 174.600 0.197 0.000 1.334 328 S CA -0.808 57.488 58.200 0.160 0.000 1.015 328 S CB 0.640 63.928 63.200 0.146 0.000 0.912 328 S HN 0.949 nan 8.310 nan 0.000 0.541 329 W N 1.841 123.196 121.300 0.092 0.000 2.302 329 W HA -0.235 4.426 4.660 0.001 0.000 0.320 329 W C 0.959 177.575 176.519 0.161 0.000 1.241 329 W CA 2.384 59.799 57.345 0.116 0.000 1.264 329 W CB -0.759 28.744 29.460 0.071 0.000 1.154 329 W HN 0.762 nan 8.180 nan 0.000 0.483 330 D N 0.271 120.873 120.400 0.336 0.000 2.117 330 D HA -0.180 4.461 4.640 0.001 0.000 0.197 330 D C 1.571 177.962 176.300 0.152 0.000 0.987 330 D CA 1.797 55.952 54.000 0.258 0.000 0.829 330 D CB -0.696 40.243 40.800 0.232 0.000 0.961 330 D HN 0.175 nan 8.370 nan 0.000 0.460 331 D N 0.189 120.654 120.400 0.108 0.000 2.183 331 D HA -0.030 4.611 4.640 0.001 0.000 0.203 331 D C 1.982 178.297 176.300 0.024 0.000 0.969 331 D CA 0.956 54.997 54.000 0.068 0.000 0.842 331 D CB -0.210 40.628 40.800 0.064 0.000 0.957 331 D HN 0.135 nan 8.370 nan 0.000 0.484 332 A N 0.664 123.473 122.820 -0.018 0.000 1.897 332 A HA -0.141 4.179 4.320 0.001 0.000 0.215 332 A C 2.095 179.602 177.584 -0.128 0.000 1.181 332 A CA 0.776 52.762 52.037 -0.084 0.000 0.620 332 A CB -1.084 17.838 19.000 -0.130 0.000 0.821 332 A HN 0.399 nan 8.150 nan 0.000 0.443 333 W N 0.878 121.961 121.300 -0.361 0.000 2.363 333 W HA -0.142 4.519 4.660 0.001 0.000 0.296 333 W C 2.181 178.628 176.519 -0.120 0.000 1.212 333 W CA 1.692 58.855 57.345 -0.304 0.000 1.260 333 W CB -0.175 29.079 29.460 -0.345 0.000 1.131 333 W HN 0.427 nan 8.180 nan 0.000 0.530 334 A N 0.589 123.429 122.820 0.033 0.000 1.972 334 A HA -0.166 4.155 4.320 0.001 0.000 0.219 334 A C 1.992 179.509 177.584 -0.111 0.000 1.169 334 A CA 1.755 53.790 52.037 -0.004 0.000 0.635 334 A CB -0.819 18.211 19.000 0.050 0.000 0.810 334 A HN 0.328 nan 8.150 nan 0.000 0.446 335 I N -0.209 120.287 120.570 -0.124 0.000 2.235 335 I HA -0.176 3.994 4.170 0.001 0.000 0.241 335 I C 2.887 178.864 176.117 -0.235 0.000 1.085 335 I CA 1.717 62.923 61.300 -0.156 0.000 1.378 335 I CB -0.565 37.358 38.000 -0.128 0.000 1.076 335 I HN 0.489 nan 8.210 nan 0.000 0.415 336 T N -1.471 112.919 114.554 -0.274 0.000 2.833 336 T HA -0.146 4.204 4.350 0.001 0.000 0.269 336 T C 1.875 176.399 174.700 -0.293 0.000 1.054 336 T CA 1.388 63.339 62.100 -0.248 0.000 1.135 336 T CB -0.723 68.050 68.868 -0.157 0.000 0.869 336 T HN 0.416 nan 8.240 nan 0.000 0.466 337 S N 0.758 116.118 115.700 -0.567 0.000 2.522 337 S HA 0.139 4.609 4.470 0.001 0.000 0.227 337 S C 1.636 176.148 174.600 -0.146 0.000 0.986 337 S CA -0.041 57.841 58.200 -0.529 0.000 0.929 337 S CB -0.179 62.523 63.200 -0.829 0.000 0.769 337 S HN 0.291 nan 8.310 nan 0.000 0.529 338 K N 0.720 121.022 120.400 -0.163 0.000 2.358 338 K HA 0.314 4.634 4.320 0.001 0.000 0.200 338 K C 0.879 177.334 176.600 -0.240 0.000 1.030 338 K CA 0.333 56.493 56.287 -0.211 0.000 1.097 338 K CB 0.224 32.573 32.500 -0.251 0.000 0.862 338 K HN 0.384 nan 8.250 nan 0.000 0.534 339 T N -0.240 114.255 114.554 -0.099 0.000 3.018 339 T HA 0.244 4.595 4.350 0.001 0.000 0.246 339 T C -0.007 174.656 174.700 -0.061 0.000 1.026 339 T CA 0.113 62.090 62.100 -0.205 0.000 1.081 339 T CB 0.147 68.704 68.868 -0.518 0.000 0.970 339 T HN -0.102 nan 8.240 nan 0.000 0.475 340 F N 1.945 122.003 119.950 0.181 0.000 2.408 340 F HA 0.709 5.237 4.527 0.001 0.000 0.344 340 F C 0.413 176.134 175.800 -0.132 0.000 1.112 340 F CA -1.382 56.653 58.000 0.059 0.000 1.096 340 F CB 0.861 39.821 39.000 -0.067 0.000 1.129 340 F HN 0.005 nan 8.300 nan 0.000 0.486 341 A N 3.255 126.080 122.820 0.008 0.000 2.413 341 A HA 0.732 5.052 4.320 0.001 0.000 0.307 341 A C -2.189 175.420 177.584 0.041 0.000 1.087 341 A CA -0.647 51.208 52.037 -0.303 0.000 0.750 341 A CB 1.251 20.049 19.000 -0.336 0.000 1.296 341 A HN 0.678 nan 8.150 nan 0.000 0.423 342 Y N 0.670 120.887 120.300 -0.138 0.000 2.391 342 Y HA 0.653 5.204 4.550 0.001 0.000 0.341 342 Y C -0.577 175.331 175.900 0.013 0.000 0.965 342 Y CA -0.414 57.656 58.100 -0.050 0.000 1.067 342 Y CB 2.056 40.449 38.460 -0.112 0.000 1.199 342 Y HN 0.566 nan 8.280 nan 0.000 0.450 343 T N 6.862 121.157 114.554 -0.432 0.000 2.779 343 T HA 0.249 4.599 4.350 0.001 0.000 0.280 343 T C -0.870 173.340 174.700 -0.816 0.000 0.987 343 T CA -0.837 60.967 62.100 -0.493 0.000 0.966 343 T CB 0.450 69.200 68.868 -0.195 0.000 0.933 343 T HN 0.685 nan 8.240 nan 0.000 0.442 344 N N 1.910 120.213 118.700 -0.662 0.000 2.438 344 N HA 0.127 4.867 4.740 0.001 0.000 0.282 344 N C 0.002 175.460 175.510 -0.087 0.000 1.037 344 N CA -0.299 52.590 53.050 -0.268 0.000 0.942 344 N CB 0.720 39.229 38.487 0.036 0.000 1.136 344 N HN 0.679 nan 8.380 nan 0.000 0.481 345 H N 1.384 120.485 119.070 0.051 0.000 2.893 345 H HA 0.158 4.715 4.556 0.001 0.000 0.270 345 H C -0.227 175.028 175.328 -0.121 0.000 1.095 345 H CA 0.056 56.097 56.048 -0.012 0.000 1.186 345 H CB 1.109 30.876 29.762 0.009 0.000 1.562 345 H HN 0.577 nan 8.280 nan 0.000 0.536 346 T N -0.100 114.478 114.554 0.040 0.000 3.003 346 T HA 0.174 4.525 4.350 0.001 0.000 0.354 346 T C -0.096 174.621 174.700 0.028 0.000 1.651 346 T CA -0.600 61.462 62.100 -0.062 0.000 1.103 346 T CB 0.608 69.442 68.868 -0.058 0.000 1.450 346 T HN 0.076 nan 8.240 nan 0.000 0.484 347 L N 2.618 123.820 121.223 -0.035 0.000 2.592 347 L HA 0.325 4.665 4.340 0.001 0.000 0.227 347 L C 1.085 177.912 176.870 -0.072 0.000 1.127 347 L CA -0.136 54.686 54.840 -0.030 0.000 0.884 347 L CB -0.058 41.975 42.059 -0.042 0.000 1.065 347 L HN 0.491 nan 8.230 nan 0.000 0.457 348 M N 1.010 120.543 119.600 -0.112 0.000 2.249 348 M HA 0.055 4.535 4.480 0.001 0.000 0.340 348 M C -1.140 175.151 176.300 -0.015 0.000 1.166 348 M CA -1.752 53.508 55.300 -0.066 0.000 1.115 348 M CB 0.002 32.569 32.600 -0.055 0.000 1.606 348 M HN -0.221 nan 8.290 nan 0.000 0.448 349 P HA -0.161 nan 4.420 nan 0.000 0.218 349 P C 0.981 178.258 177.300 -0.037 0.000 1.149 349 P CA 1.288 64.376 63.100 -0.020 0.000 0.817 349 P CB -0.228 31.460 31.700 -0.020 0.000 0.785 350 E N 0.571 120.755 120.200 -0.026 0.000 2.267 350 E HA -0.143 4.208 4.350 0.001 0.000 0.197 350 E C 1.522 178.099 176.600 -0.039 0.000 0.998 350 E CA 1.543 57.913 56.400 -0.050 0.000 0.830 350 E CB -1.005 28.668 29.700 -0.044 0.000 0.751 350 E HN 0.215 nan 8.360 nan 0.000 0.491 351 A N 0.900 123.708 122.820 -0.020 0.000 2.308 351 A HA 0.280 4.600 4.320 0.001 0.000 0.217 351 A C 1.160 178.733 177.584 -0.018 0.000 1.216 351 A CA -0.263 51.755 52.037 -0.031 0.000 0.864 351 A CB 0.056 19.061 19.000 0.007 0.000 0.902 351 A HN 0.145 nan 8.150 nan 0.000 0.499 352 L N 1.587 122.801 121.223 -0.016 0.000 2.504 352 L HA 0.272 4.613 4.340 0.001 0.000 0.249 352 L C -0.576 176.246 176.870 -0.079 0.000 1.120 352 L CA -0.309 54.536 54.840 0.009 0.000 0.997 352 L CB 0.674 42.753 42.059 0.033 0.000 1.349 352 L HN 0.259 nan 8.230 nan 0.000 0.439 353 E N 2.236 122.360 120.200 -0.125 0.000 2.373 353 E HA 0.298 4.648 4.350 0.001 0.000 0.267 353 E C -0.334 176.026 176.600 -0.401 0.000 1.032 353 E CA -0.039 56.165 56.400 -0.328 0.000 0.889 353 E CB 0.981 30.471 29.700 -0.350 0.000 0.984 353 E HN 0.372 nan 8.360 nan 0.000 0.425 354 R N 2.516 122.672 120.500 -0.573 0.000 2.599 354 R HA 0.415 4.756 4.340 0.001 0.000 0.295 354 R C -1.252 174.699 176.300 -0.582 0.000 0.963 354 R CA -0.695 55.102 56.100 -0.506 0.000 0.883 354 R CB 1.373 31.406 30.300 -0.445 0.000 1.171 354 R HN 0.479 nan 8.270 nan 0.000 0.450 355 W N 1.355 122.613 121.300 -0.071 0.000 2.785 355 W HA 0.276 4.937 4.660 0.001 0.000 0.333 355 W C -0.488 176.027 176.519 -0.007 0.000 1.062 355 W CA -0.784 56.551 57.345 -0.016 0.000 1.233 355 W CB 1.498 30.959 29.460 0.002 0.000 1.413 355 W HN 0.325 nan 8.180 nan 0.000 0.489 356 D N 1.489 122.055 120.400 0.277 0.000 2.455 356 D HA -0.018 4.623 4.640 0.001 0.000 0.241 356 D C 1.186 177.593 176.300 0.178 0.000 1.138 356 D CA 0.195 54.306 54.000 0.185 0.000 0.877 356 D CB 1.698 42.603 40.800 0.175 0.000 1.187 356 D HN 0.122 nan 8.370 nan 0.000 0.451 357 V N 3.341 123.334 119.914 0.132 0.000 2.324 357 V HA -0.289 3.831 4.120 0.001 0.000 0.250 357 V C 2.424 178.571 176.094 0.089 0.000 1.060 357 V CA 1.984 64.348 62.300 0.106 0.000 1.042 357 V CB -0.411 31.467 31.823 0.091 0.000 0.650 357 V HN 0.652 nan 8.190 nan 0.000 0.450 358 K N -0.112 120.343 120.400 0.092 0.000 2.063 358 K HA -0.212 4.108 4.320 0.001 0.000 0.208 358 K C 2.220 178.880 176.600 0.099 0.000 1.048 358 K CA 1.830 58.166 56.287 0.083 0.000 0.928 358 K CB -0.220 32.327 32.500 0.077 0.000 0.713 358 K HN 0.467 nan 8.250 nan 0.000 0.442 359 L N 0.780 122.086 121.223 0.138 0.000 2.027 359 L HA -0.167 4.174 4.340 0.001 0.000 0.206 359 L C 2.123 179.009 176.870 0.027 0.000 1.074 359 L CA 1.097 56.018 54.840 0.135 0.000 0.745 359 L CB -0.153 42.027 42.059 0.201 0.000 0.898 359 L HN 0.026 nan 8.230 nan 0.000 0.433 360 V N 0.130 120.050 119.914 0.011 0.000 2.295 360 V HA -0.342 3.779 4.120 0.001 0.000 0.246 360 V C 2.547 178.604 176.094 -0.062 0.000 1.049 360 V CA 2.271 64.527 62.300 -0.074 0.000 1.024 360 V CB -0.715 31.085 31.823 -0.038 0.000 0.648 360 V HN 0.478 nan 8.190 nan 0.000 0.447 361 K N 0.314 120.708 120.400 -0.010 0.000 2.103 361 K HA -0.172 4.149 4.320 0.001 0.000 0.207 361 K C 2.132 178.729 176.600 -0.006 0.000 1.048 361 K CA 1.710 57.990 56.287 -0.011 0.000 0.930 361 K CB -0.597 31.914 32.500 0.018 0.000 0.716 361 K HN 0.515 nan 8.250 nan 0.000 0.444 362 G N 0.591 109.403 108.800 0.019 0.000 2.408 362 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 362 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 362 G C 1.396 176.315 174.900 0.031 0.000 1.150 362 G CA 0.554 45.678 45.100 0.041 0.000 0.776 362 G HN 0.208 nan 8.290 nan 0.000 0.542 363 L N -0.898 120.313 121.223 -0.019 0.000 2.202 363 L HA 0.352 4.693 4.340 0.001 0.000 0.205 363 L C 0.748 177.573 176.870 -0.076 0.000 1.083 363 L CA 0.462 55.279 54.840 -0.038 0.000 0.790 363 L CB 0.100 42.089 42.059 -0.117 0.000 0.942 363 L HN 0.051 nan 8.230 nan 0.000 0.452 364 L N 0.696 121.813 121.223 -0.176 0.000 2.551 364 L HA 0.237 4.577 4.340 0.001 0.000 0.248 364 L C -1.732 174.964 176.870 -0.290 0.000 1.509 364 L CA -0.922 53.723 54.840 -0.325 0.000 0.842 364 L CB 1.276 43.012 42.059 -0.538 0.000 1.087 364 L HN -0.176 nan 8.230 nan 0.000 0.512 365 P HA -0.174 nan 4.420 nan 0.000 0.218 365 P C 1.398 178.518 177.300 -0.301 0.000 1.149 365 P CA 1.016 63.992 63.100 -0.206 0.000 0.817 365 P CB 0.421 32.060 31.700 -0.101 0.000 0.785 366 R N -0.059 120.072 120.500 -0.615 0.000 2.090 366 R HA -0.108 4.233 4.340 0.001 0.000 0.228 366 R C 2.280 178.340 176.300 -0.400 0.000 1.110 366 R CA 1.578 57.362 56.100 -0.527 0.000 0.973 366 R CB -1.570 28.289 30.300 -0.735 0.000 0.869 366 R HN 0.223 nan 8.270 nan 0.000 0.440 367 H N -0.956 117.856 119.070 -0.430 0.000 2.353 367 H HA -0.054 4.503 4.556 0.001 0.000 0.300 367 H C 1.672 176.924 175.328 -0.127 0.000 1.090 367 H CA 1.924 57.827 56.048 -0.241 0.000 1.327 367 H CB -0.181 29.404 29.762 -0.295 0.000 1.383 367 H HN 0.123 nan 8.280 nan 0.000 0.508 368 M N 0.834 120.420 119.600 -0.023 0.000 2.159 368 M HA -0.196 4.285 4.480 0.001 0.000 0.263 368 M C 1.814 178.126 176.300 0.020 0.000 1.063 368 M CA 1.602 56.905 55.300 0.006 0.000 1.110 368 M CB -0.138 32.455 32.600 -0.013 0.000 1.374 368 M HN 0.246 nan 8.290 nan 0.000 0.411 369 Q N -0.419 119.372 119.800 -0.014 0.000 2.061 369 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 369 Q C 2.147 178.176 176.000 0.048 0.000 0.984 369 Q CA 2.036 57.842 55.803 0.005 0.000 0.846 369 Q CB -0.394 28.334 28.738 -0.017 0.000 0.902 369 Q HN 0.560 nan 8.270 nan 0.000 0.421 370 I N 0.399 121.014 120.570 0.074 0.000 2.226 370 I HA -0.285 3.886 4.170 0.001 0.000 0.245 370 I C 2.207 178.470 176.117 0.244 0.000 1.100 370 I CA 1.064 62.488 61.300 0.206 0.000 1.374 370 I CB -0.220 37.887 38.000 0.179 0.000 1.057 370 I HN 0.209 nan 8.210 nan 0.000 0.413 371 I N 0.730 121.404 120.570 0.175 0.000 2.208 371 I HA -0.318 3.853 4.170 0.001 0.000 0.245 371 I C 2.253 178.469 176.117 0.165 0.000 1.097 371 I CA 1.275 62.684 61.300 0.182 0.000 1.363 371 I CB -0.522 37.565 38.000 0.144 0.000 1.051 371 I HN 0.309 nan 8.210 nan 0.000 0.413 372 N N 0.599 119.369 118.700 0.118 0.000 2.104 372 N HA -0.239 4.502 4.740 0.001 0.000 0.190 372 N C 1.800 177.344 175.510 0.057 0.000 1.024 372 N CA 1.421 54.529 53.050 0.097 0.000 0.853 372 N CB -0.283 38.242 38.487 0.062 0.000 1.008 372 N HN 0.370 nan 8.380 nan 0.000 0.424 373 E N 0.980 121.178 120.200 -0.004 0.000 2.051 373 E HA -0.045 4.306 4.350 0.001 0.000 0.192 373 E C 2.008 178.516 176.600 -0.153 0.000 0.991 373 E CA 0.891 57.171 56.400 -0.200 0.000 0.799 373 E CB -0.297 29.120 29.700 -0.470 0.000 0.748 373 E HN 0.338 nan 8.360 nan 0.000 0.449 374 I N 0.738 121.368 120.570 0.099 0.000 2.163 374 I HA -0.314 3.857 4.170 0.001 0.000 0.243 374 I C 2.373 178.610 176.117 0.200 0.000 1.085 374 I CA 1.480 62.894 61.300 0.189 0.000 1.347 374 I CB -0.523 37.673 38.000 0.327 0.000 1.044 374 I HN 0.241 nan 8.210 nan 0.000 0.408 375 N N 0.524 119.372 118.700 0.247 0.000 2.036 375 N HA -0.192 4.549 4.740 0.001 0.000 0.195 375 N C 1.779 177.517 175.510 0.380 0.000 1.037 375 N CA 2.318 55.600 53.050 0.386 0.000 0.855 375 N CB -0.261 38.429 38.487 0.339 0.000 1.033 375 N HN 0.180 nan 8.380 nan 0.000 0.423 376 T N 0.199 114.856 114.554 0.171 0.000 2.708 376 T HA -0.061 4.289 4.350 0.001 0.000 0.266 376 T C 1.910 176.608 174.700 -0.003 0.000 1.037 376 T CA 1.101 63.231 62.100 0.049 0.000 1.146 376 T CB -0.157 68.691 68.868 -0.033 0.000 0.865 376 T HN 0.274 nan 8.240 nan 0.000 0.435 377 R N -0.160 120.320 120.500 -0.033 0.000 2.081 377 R HA -0.026 4.315 4.340 0.001 0.000 0.235 377 R C 2.179 178.550 176.300 0.118 0.000 1.131 377 R CA 1.216 57.285 56.100 -0.053 0.000 0.960 377 R CB -0.453 29.733 30.300 -0.190 0.000 0.856 377 R HN 0.302 nan 8.270 nan 0.000 0.436 378 F N 2.213 122.209 119.950 0.076 0.000 2.171 378 F HA -0.160 4.368 4.527 0.001 0.000 0.300 378 F C 2.134 178.060 175.800 0.210 0.000 1.090 378 F CA 1.367 59.503 58.000 0.225 0.000 1.293 378 F CB -0.260 38.967 39.000 0.379 0.000 1.013 378 F HN -0.181 nan 8.300 nan 0.000 0.486 379 K N -0.495 119.881 120.400 -0.041 0.000 2.160 379 K HA -0.180 4.141 4.320 0.001 0.000 0.206 379 K C 1.922 178.270 176.600 -0.420 0.000 1.047 379 K CA 1.865 57.761 56.287 -0.652 0.000 0.930 379 K CB -0.263 31.692 32.500 -0.910 0.000 0.720 379 K HN 0.272 nan 8.250 nan 0.000 0.450 380 T N 1.691 116.119 114.554 -0.209 0.000 2.622 380 T HA -0.196 4.155 4.350 0.001 0.000 0.266 380 T C 1.622 176.263 174.700 -0.100 0.000 1.047 380 T CA 1.539 63.557 62.100 -0.136 0.000 1.159 380 T CB -0.292 68.536 68.868 -0.067 0.000 0.863 380 T HN 0.213 nan 8.240 nan 0.000 0.422 381 L N 1.384 122.590 121.223 -0.029 0.000 2.131 381 L HA -0.014 4.326 4.340 0.001 0.000 0.210 381 L C 2.337 179.167 176.870 -0.067 0.000 1.092 381 L CA 1.381 56.232 54.840 0.019 0.000 0.759 381 L CB -0.641 41.555 42.059 0.229 0.000 0.903 381 L HN 0.094 nan 8.230 nan 0.000 0.435 382 V N -0.256 119.536 119.914 -0.203 0.000 2.427 382 V HA -0.221 3.900 4.120 0.001 0.000 0.248 382 V C 2.601 178.716 176.094 0.036 0.000 1.051 382 V CA 1.629 63.901 62.300 -0.048 0.000 1.048 382 V CB -0.635 31.136 31.823 -0.087 0.000 0.666 382 V HN 0.560 nan 8.190 nan 0.000 0.456 383 E N 1.295 121.430 120.200 -0.108 0.000 2.031 383 E HA -0.251 4.099 4.350 0.001 0.000 0.193 383 E C 2.241 178.806 176.600 -0.058 0.000 0.994 383 E CA 1.920 58.265 56.400 -0.091 0.000 0.800 383 E CB -0.435 29.165 29.700 -0.166 0.000 0.752 383 E HN 0.502 nan 8.360 nan 0.000 0.447 384 K N -0.772 119.581 120.400 -0.080 0.000 2.044 384 K HA -0.174 4.147 4.320 0.001 0.000 0.210 384 K C 1.950 178.465 176.600 -0.142 0.000 1.049 384 K CA 2.022 58.255 56.287 -0.089 0.000 0.927 384 K CB -0.363 32.091 32.500 -0.075 0.000 0.713 384 K HN 0.204 nan 8.250 nan 0.000 0.443 385 T N -0.583 113.849 114.554 -0.203 0.000 2.942 385 T HA -0.066 4.284 4.350 0.001 0.000 0.265 385 T C 0.124 174.474 174.700 -0.583 0.000 1.062 385 T CA 0.789 62.591 62.100 -0.496 0.000 1.139 385 T CB 0.021 68.419 68.868 -0.783 0.000 0.883 385 T HN 0.323 nan 8.240 nan 0.000 0.468 386 W N 2.071 123.327 121.300 -0.073 0.000 2.036 386 W HA 0.321 4.981 4.660 0.001 0.000 0.294 386 W C -3.155 173.327 176.519 -0.062 0.000 0.948 386 W CA -2.867 54.442 57.345 -0.061 0.000 1.774 386 W CB 0.029 29.456 29.460 -0.056 0.000 1.950 386 W HN 0.026 nan 8.180 nan 0.000 0.384 387 P HA -0.028 nan 4.420 nan 0.000 0.257 387 P C 1.125 178.451 177.300 0.044 0.000 1.162 387 P CA 2.189 65.307 63.100 0.031 0.000 0.762 387 P CB 0.372 32.071 31.700 -0.001 0.000 0.753 388 G N 2.823 111.633 108.800 0.016 0.000 2.257 388 G HA2 -0.293 3.668 3.960 0.001 0.000 0.267 388 G HA3 -0.293 3.668 3.960 0.001 0.000 0.267 388 G C 0.359 175.276 174.900 0.029 0.000 0.984 388 G CA 0.188 45.294 45.100 0.010 0.000 0.626 388 G HN 0.625 nan 8.290 nan 0.000 0.540 389 D N 1.110 121.546 120.400 0.059 0.000 2.346 389 D HA 0.273 4.913 4.640 0.001 0.000 0.267 389 D C 1.475 177.797 176.300 0.037 0.000 1.320 389 D CA -0.133 53.889 54.000 0.038 0.000 0.951 389 D CB 0.432 41.250 40.800 0.030 0.000 1.079 389 D HN 0.302 nan 8.370 nan 0.000 0.509 390 E N 2.967 123.192 120.200 0.041 0.000 2.285 390 E HA -0.086 4.265 4.350 0.001 0.000 0.194 390 E C 1.401 178.027 176.600 0.043 0.000 0.997 390 E CA 0.530 56.983 56.400 0.089 0.000 0.845 390 E CB 0.264 30.020 29.700 0.092 0.000 0.782 390 E HN 0.362 nan 8.360 nan 0.000 0.491 391 K N 0.125 120.506 120.400 -0.031 0.000 2.103 391 K HA -0.026 4.295 4.320 0.001 0.000 0.204 391 K C 2.060 178.548 176.600 -0.186 0.000 1.052 391 K CA 0.397 56.624 56.287 -0.100 0.000 0.945 391 K CB -0.270 32.170 32.500 -0.100 0.000 0.722 391 K HN -0.084 nan 8.250 nan 0.000 0.443 392 V N 0.252 120.038 119.914 -0.214 0.000 2.270 392 V HA -0.236 3.885 4.120 0.001 0.000 0.245 392 V C 1.894 177.831 176.094 -0.261 0.000 1.043 392 V CA 1.663 63.742 62.300 -0.368 0.000 1.014 392 V CB -0.518 30.931 31.823 -0.622 0.000 0.645 392 V HN 0.544 nan 8.190 nan 0.000 0.447 393 W N 1.200 122.332 121.300 -0.279 0.000 2.318 393 W HA -0.316 4.345 4.660 0.001 0.000 0.313 393 W C 2.384 178.725 176.519 -0.296 0.000 1.221 393 W CA 2.101 59.313 57.345 -0.222 0.000 1.266 393 W CB -0.299 29.087 29.460 -0.122 0.000 1.150 393 W HN 0.304 nan 8.180 nan 0.000 0.496 394 A N 0.502 123.028 122.820 -0.490 0.000 2.084 394 A HA -0.270 4.051 4.320 0.001 0.000 0.221 394 A C 2.011 179.113 177.584 -0.803 0.000 1.161 394 A CA 2.135 53.569 52.037 -1.005 0.000 0.653 394 A CB -0.798 17.827 19.000 -0.624 0.000 0.802 394 A HN 0.462 nan 8.150 nan 0.000 0.457 395 K N -0.788 119.288 120.400 -0.539 0.000 2.166 395 K HA 0.208 4.529 4.320 0.001 0.000 0.201 395 K C 1.406 177.765 176.600 -0.403 0.000 1.052 395 K CA 0.522 56.554 56.287 -0.424 0.000 0.969 395 K CB -0.060 32.233 32.500 -0.345 0.000 0.761 395 K HN 0.475 nan 8.250 nan 0.000 0.459 396 L N 0.850 121.818 121.223 -0.427 0.000 2.554 396 L HA 0.256 4.597 4.340 0.001 0.000 0.225 396 L C 0.771 177.585 176.870 -0.093 0.000 1.104 396 L CA -0.417 54.301 54.840 -0.204 0.000 0.866 396 L CB 0.142 42.131 42.059 -0.117 0.000 1.047 396 L HN 0.060 nan 8.230 nan 0.000 0.468 397 A N 0.244 122.628 122.820 -0.728 0.000 2.445 397 A HA 0.225 4.545 4.320 0.001 0.000 0.242 397 A C 1.238 178.672 177.584 -0.250 0.000 1.075 397 A CA -0.129 51.314 52.037 -0.989 0.000 0.777 397 A CB 0.788 18.831 19.000 -1.595 0.000 1.013 397 A HN -0.025 nan 8.150 nan 0.000 0.493 398 V N 1.809 121.744 119.914 0.034 0.000 2.535 398 V HA -0.028 4.092 4.120 0.001 0.000 0.246 398 V C 0.504 176.721 176.094 0.205 0.000 1.045 398 V CA 1.234 63.631 62.300 0.162 0.000 1.058 398 V CB -0.004 31.949 31.823 0.217 0.000 0.689 398 V HN 0.557 nan 8.190 nan 0.000 0.461 399 V N 1.174 121.199 119.914 0.185 0.000 2.487 399 V HA 0.562 4.683 4.120 0.001 0.000 0.298 399 V C -0.644 175.582 176.094 0.220 0.000 1.028 399 V CA -0.570 61.872 62.300 0.236 0.000 0.860 399 V CB 1.536 33.486 31.823 0.212 0.000 0.991 399 V HN 0.459 nan 8.190 nan 0.000 0.427 400 H N 3.593 122.734 119.070 0.118 0.000 3.079 400 H HA 0.230 4.786 4.556 0.001 0.000 0.356 400 H C -0.648 174.751 175.328 0.119 0.000 1.221 400 H CA -0.314 55.757 56.048 0.038 0.000 1.185 400 H CB 2.204 31.857 29.762 -0.182 0.000 1.882 400 H HN 0.700 nan 8.280 nan 0.000 0.543 401 D N 3.300 123.525 120.400 -0.292 0.000 2.689 401 D HA -0.186 4.455 4.640 0.001 0.000 0.237 401 D C -0.019 176.300 176.300 0.032 0.000 1.148 401 D CA 1.641 55.591 54.000 -0.084 0.000 0.656 401 D CB -0.838 40.009 40.800 0.078 0.000 1.050 401 D HN 0.792 nan 8.370 nan 0.000 0.426 402 K N -1.636 118.779 120.400 0.024 0.000 3.020 402 K HA -0.277 4.044 4.320 0.001 0.000 0.266 402 K C 0.130 176.784 176.600 0.091 0.000 1.067 402 K CA 1.151 57.473 56.287 0.058 0.000 0.780 402 K CB -1.054 31.470 32.500 0.040 0.000 1.220 402 K HN 0.560 nan 8.250 nan 0.000 0.483 403 Q N 0.152 120.028 119.800 0.127 0.000 2.397 403 Q HA 0.462 4.803 4.340 0.001 0.000 0.275 403 Q C -0.620 175.469 176.000 0.149 0.000 1.090 403 Q CA -0.941 54.919 55.803 0.096 0.000 0.809 403 Q CB 2.866 31.596 28.738 -0.012 0.000 1.362 403 Q HN -0.018 nan 8.270 nan 0.000 0.431 404 V N 2.291 122.271 119.914 0.111 0.000 2.432 404 V HA 0.179 4.300 4.120 0.001 0.000 0.275 404 V C -0.213 175.893 176.094 0.021 0.000 1.043 404 V CA -0.494 61.906 62.300 0.167 0.000 0.925 404 V CB 0.866 32.815 31.823 0.210 0.000 0.985 404 V HN 0.652 nan 8.190 nan 0.000 0.466 405 H N 6.390 125.520 119.070 0.100 0.000 2.724 405 H HA 0.241 4.797 4.556 0.001 0.000 0.278 405 H C 0.499 175.869 175.328 0.070 0.000 1.159 405 H CA -0.675 55.415 56.048 0.071 0.000 1.254 405 H CB 1.377 31.179 29.762 0.067 0.000 1.412 405 H HN 0.550 nan 8.280 nan 0.000 0.488 406 M N 1.453 121.110 119.600 0.095 0.000 2.159 406 M HA -0.098 4.382 4.480 0.001 0.000 0.263 406 M C 2.404 178.695 176.300 -0.015 0.000 1.063 406 M CA 0.929 56.275 55.300 0.076 0.000 1.110 406 M CB -0.973 31.696 32.600 0.115 0.000 1.374 406 M HN 0.612 nan 8.290 nan 0.000 0.411 407 A N 0.813 123.652 122.820 0.031 0.000 1.933 407 A HA -0.177 4.144 4.320 0.001 0.000 0.218 407 A C 2.016 179.553 177.584 -0.077 0.000 1.175 407 A CA 1.787 53.817 52.037 -0.011 0.000 0.628 407 A CB -0.762 18.422 19.000 0.306 0.000 0.814 407 A HN 0.461 nan 8.150 nan 0.000 0.444 408 N N -0.186 118.576 118.700 0.104 0.000 2.166 408 N HA -0.136 4.604 4.740 0.001 0.000 0.186 408 N C 1.516 176.937 175.510 -0.149 0.000 1.019 408 N CA 1.416 54.504 53.050 0.064 0.000 0.856 408 N CB -0.546 38.095 38.487 0.256 0.000 0.993 408 N HN 0.435 nan 8.380 nan 0.000 0.426 409 L N 0.602 121.775 121.223 -0.082 0.000 2.093 409 L HA -0.050 4.291 4.340 0.001 0.000 0.208 409 L C 1.960 178.684 176.870 -0.244 0.000 1.085 409 L CA 1.417 56.197 54.840 -0.101 0.000 0.755 409 L CB -0.854 41.200 42.059 -0.008 0.000 0.904 409 L HN 0.135 nan 8.230 nan 0.000 0.435 410 C N -1.726 117.341 119.300 -0.389 0.000 2.429 410 C HA -0.128 4.333 4.460 0.001 0.000 0.277 410 C C 2.926 177.591 174.990 -0.543 0.000 1.262 410 C CA 1.058 59.745 59.018 -0.552 0.000 1.733 410 C CB -0.992 26.099 27.740 -1.082 0.000 2.010 410 C HN 0.577 nan 8.230 nan 0.000 0.483 411 V N 0.229 119.756 119.914 -0.646 0.000 2.453 411 V HA -0.076 4.045 4.120 0.001 0.000 0.247 411 V C 2.181 177.902 176.094 -0.623 0.000 1.048 411 V CA 2.132 64.025 62.300 -0.678 0.000 1.049 411 V CB -0.292 30.947 31.823 -0.975 0.000 0.672 411 V HN 0.410 nan 8.190 nan 0.000 0.457 412 V N 0.983 120.562 119.914 -0.558 0.000 2.548 412 V HA 0.041 4.161 4.120 0.001 0.000 0.249 412 V C 2.567 178.529 176.094 -0.220 0.000 1.055 412 V CA 1.860 63.876 62.300 -0.474 0.000 1.065 412 V CB -0.645 30.901 31.823 -0.462 0.000 0.681 412 V HN 0.652 nan 8.190 nan 0.000 0.462 413 G N -0.824 107.858 108.800 -0.196 0.000 2.838 413 G HA2 0.317 4.278 3.960 0.001 0.000 0.210 413 G HA3 0.317 4.278 3.960 0.001 0.000 0.210 413 G C 0.676 175.390 174.900 -0.309 0.000 1.153 413 G CA 0.666 45.650 45.100 -0.194 0.000 0.778 413 G HN 0.603 nan 8.290 nan 0.000 0.539 414 G N -0.459 108.174 108.800 -0.279 0.000 2.753 414 G HA2 0.462 4.422 3.960 0.001 0.000 0.285 414 G HA3 0.462 4.422 3.960 0.001 0.000 0.285 414 G C 0.236 175.020 174.900 -0.194 0.000 1.344 414 G CA -0.481 44.508 45.100 -0.185 0.000 1.050 414 G HN 0.275 nan 8.290 nan 0.000 0.532 415 F N -1.897 117.971 119.950 -0.138 0.000 2.706 415 F HA 0.757 5.285 4.527 0.001 0.000 0.308 415 F C 0.412 176.163 175.800 -0.082 0.000 1.095 415 F CA -0.473 57.443 58.000 -0.140 0.000 1.244 415 F CB 0.266 39.212 39.000 -0.090 0.000 1.063 415 F HN 0.553 nan 8.300 nan 0.000 0.582 416 A N 0.452 122.850 122.820 -0.703 0.000 2.574 416 A HA 0.783 5.103 4.320 0.001 0.000 0.297 416 A C -1.694 175.697 177.584 -0.322 0.000 1.062 416 A CA -0.690 51.095 52.037 -0.420 0.000 0.686 416 A CB 1.646 20.366 19.000 -0.465 0.000 1.285 416 A HN 0.067 nan 8.150 nan 0.000 0.403 417 V N 3.136 122.921 119.914 -0.214 0.000 2.808 417 V HA 0.624 4.744 4.120 0.001 0.000 0.308 417 V C -1.061 175.019 176.094 -0.023 0.000 1.099 417 V CA -0.711 61.481 62.300 -0.180 0.000 0.920 417 V CB 2.137 33.714 31.823 -0.410 0.000 1.014 417 V HN 1.107 nan 8.190 nan 0.000 0.425 418 N N 2.510 121.191 118.700 -0.032 0.000 2.329 418 N HA 0.621 5.362 4.740 0.001 0.000 0.282 418 N C -0.440 175.056 175.510 -0.022 0.000 1.198 418 N CA -0.320 52.743 53.050 0.022 0.000 0.790 418 N CB 2.747 41.220 38.487 -0.022 0.000 1.579 418 N HN 0.704 nan 8.380 nan 0.000 0.475 419 G N -0.910 107.899 108.800 0.015 0.000 2.613 419 G HA2 0.480 4.441 3.960 0.001 0.000 0.303 419 G HA3 0.480 4.441 3.960 0.001 0.000 0.303 419 G C 0.538 175.535 174.900 0.160 0.000 1.312 419 G CA -0.406 44.743 45.100 0.081 0.000 1.036 419 G HN 0.738 nan 8.290 nan 0.000 0.513 420 V N -3.981 116.135 119.914 0.337 0.000 3.276 420 V HA 0.718 4.838 4.120 0.001 0.000 0.319 420 V C 0.398 176.581 176.094 0.149 0.000 1.427 420 V CA 0.287 62.685 62.300 0.165 0.000 1.102 420 V CB -0.638 31.237 31.823 0.087 0.000 1.020 420 V HN 1.440 nan 8.190 nan 0.000 0.456 421 A N -0.590 122.332 122.820 0.170 0.000 2.599 421 A HA 0.858 5.178 4.320 0.001 0.000 0.294 421 A C 0.793 178.443 177.584 0.110 0.000 1.055 421 A CA 0.026 52.140 52.037 0.128 0.000 0.683 421 A CB 0.834 19.898 19.000 0.106 0.000 1.278 421 A HN 0.976 nan 8.150 nan 0.000 0.412 422 A N 0.494 123.359 122.820 0.075 0.000 1.892 422 A HA -0.075 4.246 4.320 0.001 0.000 0.218 422 A C 1.924 179.528 177.584 0.034 0.000 1.188 422 A CA 1.972 54.035 52.037 0.043 0.000 0.631 422 A CB -0.728 18.291 19.000 0.033 0.000 0.822 422 A HN 1.332 nan 8.150 nan 0.000 0.447 423 L N -1.237 120.014 121.223 0.047 0.000 2.017 423 L HA -0.217 4.123 4.340 0.001 0.000 0.208 423 L C 2.686 179.581 176.870 0.042 0.000 1.073 423 L CA 2.380 57.239 54.840 0.031 0.000 0.745 423 L CB -0.645 41.432 42.059 0.030 0.000 0.894 423 L HN 0.736 nan 8.230 nan 0.000 0.432 424 H N -0.898 118.158 119.070 -0.023 0.000 2.321 424 H HA -0.158 4.399 4.556 0.001 0.000 0.300 424 H C 2.189 177.503 175.328 -0.025 0.000 1.087 424 H CA 1.720 57.749 56.048 -0.032 0.000 1.319 424 H CB 0.311 30.059 29.762 -0.025 0.000 1.379 424 H HN 0.330 nan 8.280 nan 0.000 0.501 425 S N 0.066 115.694 115.700 -0.120 0.000 2.400 425 S HA -0.172 4.299 4.470 0.001 0.000 0.232 425 S C 1.737 176.249 174.600 -0.146 0.000 1.025 425 S CA 1.552 59.658 58.200 -0.156 0.000 0.993 425 S CB -0.320 62.865 63.200 -0.025 0.000 0.808 425 S HN 0.609 nan 8.310 nan 0.000 0.478 426 D N 1.084 121.417 120.400 -0.112 0.000 2.117 426 D HA -0.050 4.591 4.640 0.001 0.000 0.198 426 D C 1.801 178.006 176.300 -0.158 0.000 0.982 426 D CA 0.888 54.814 54.000 -0.123 0.000 0.828 426 D CB -0.144 40.610 40.800 -0.078 0.000 0.967 426 D HN 0.308 nan 8.370 nan 0.000 0.464 427 L N -0.198 120.932 121.223 -0.154 0.000 2.141 427 L HA -0.091 4.250 4.340 0.001 0.000 0.209 427 L C 2.501 179.242 176.870 -0.214 0.000 1.094 427 L CA 0.293 55.037 54.840 -0.160 0.000 0.763 427 L CB -0.302 41.689 42.059 -0.114 0.000 0.908 427 L HN 0.074 nan 8.230 nan 0.000 0.437 428 V N -0.546 119.201 119.914 -0.278 0.000 2.332 428 V HA -0.257 3.863 4.120 0.001 0.000 0.248 428 V C 2.366 178.381 176.094 -0.131 0.000 1.055 428 V CA 1.619 63.787 62.300 -0.220 0.000 1.038 428 V CB -0.154 31.576 31.823 -0.154 0.000 0.651 428 V HN 0.200 nan 8.190 nan 0.000 0.450 429 V N -0.807 118.978 119.914 -0.216 0.000 2.407 429 V HA -0.162 3.959 4.120 0.001 0.000 0.245 429 V C 2.345 178.253 176.094 -0.309 0.000 1.041 429 V CA 1.762 63.812 62.300 -0.417 0.000 1.040 429 V CB -0.473 30.934 31.823 -0.695 0.000 0.671 429 V HN 0.497 nan 8.190 nan 0.000 0.455 430 K N -0.450 119.809 120.400 -0.235 0.000 2.076 430 K HA -0.090 4.231 4.320 0.001 0.000 0.204 430 K C 1.572 178.091 176.600 -0.135 0.000 1.051 430 K CA 1.543 57.731 56.287 -0.165 0.000 0.949 430 K CB -0.027 32.393 32.500 -0.132 0.000 0.726 430 K HN 0.417 nan 8.250 nan 0.000 0.443 431 D N -0.383 119.926 120.400 -0.151 0.000 2.514 431 D HA -0.024 4.616 4.640 0.001 0.000 0.249 431 D C 1.547 177.736 176.300 -0.185 0.000 1.036 431 D CA 0.238 54.151 54.000 -0.145 0.000 0.911 431 D CB 0.085 40.803 40.800 -0.137 0.000 1.145 431 D HN -0.052 nan 8.370 nan 0.000 0.495 432 L N -0.692 120.369 121.223 -0.270 0.000 2.102 432 L HA 0.178 4.519 4.340 0.001 0.000 0.202 432 L C 0.165 176.757 176.870 -0.465 0.000 1.076 432 L CA 1.513 56.061 54.840 -0.486 0.000 0.761 432 L CB 0.012 41.620 42.059 -0.753 0.000 0.921 432 L HN -0.161 nan 8.230 nan 0.000 0.444 433 F N -0.245 119.746 119.950 0.068 0.000 2.749 433 F HA 0.412 4.940 4.527 0.001 0.000 0.380 433 F C -1.728 174.083 175.800 0.019 0.000 1.365 433 F CA -2.356 55.749 58.000 0.176 0.000 1.186 433 F CB -0.432 38.858 39.000 0.484 0.000 1.080 433 F HN 0.014 nan 8.300 nan 0.000 0.513 434 P HA -0.156 nan 4.420 nan 0.000 0.216 434 P C 1.128 178.464 177.300 0.060 0.000 1.150 434 P CA 1.627 64.729 63.100 0.004 0.000 0.837 434 P CB 0.429 32.102 31.700 -0.045 0.000 0.786 435 E N -1.351 118.836 120.200 -0.022 0.000 2.107 435 E HA -0.150 4.201 4.350 0.001 0.000 0.191 435 E C 1.969 178.630 176.600 0.102 0.000 0.982 435 E CA 1.037 57.407 56.400 -0.050 0.000 0.809 435 E CB -1.047 28.425 29.700 -0.381 0.000 0.756 435 E HN 0.310 nan 8.360 nan 0.000 0.459 436 Y N 0.037 120.481 120.300 0.239 0.000 2.293 436 Y HA -0.139 4.411 4.550 0.001 0.000 0.291 436 Y C 2.357 178.475 175.900 0.364 0.000 1.137 436 Y CA 1.229 59.513 58.100 0.306 0.000 1.202 436 Y CB -0.462 38.336 38.460 0.563 0.000 0.990 436 Y HN 0.310 nan 8.280 nan 0.000 0.537 437 H N -0.039 119.159 119.070 0.213 0.000 2.389 437 H HA -0.155 4.402 4.556 0.001 0.000 0.299 437 H C 1.893 177.269 175.328 0.080 0.000 1.081 437 H CA 1.524 57.538 56.048 -0.055 0.000 1.345 437 H CB 0.193 29.680 29.762 -0.459 0.000 1.393 437 H HN 0.396 nan 8.280 nan 0.000 0.520 438 Q N 0.318 120.160 119.800 0.069 0.000 2.061 438 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 438 Q C 2.722 178.690 176.000 -0.053 0.000 0.984 438 Q CA 1.765 57.578 55.803 0.017 0.000 0.846 438 Q CB 0.116 28.960 28.738 0.178 0.000 0.902 438 Q HN 0.477 nan 8.270 nan 0.000 0.421 439 L N -1.344 119.834 121.223 -0.074 0.000 2.056 439 L HA -0.114 4.227 4.340 0.001 0.000 0.207 439 L C 0.624 177.330 176.870 -0.274 0.000 1.078 439 L CA 0.563 55.179 54.840 -0.374 0.000 0.749 439 L CB -0.077 41.407 42.059 -0.958 0.000 0.901 439 L HN 0.345 nan 8.230 nan 0.000 0.433 440 W N -0.609 120.839 121.300 0.247 0.000 2.104 440 W HA 0.310 4.971 4.660 0.001 0.000 0.291 440 W C -2.062 174.594 176.519 0.228 0.000 0.936 440 W CA -2.133 55.345 57.345 0.222 0.000 1.856 440 W CB -0.408 29.202 29.460 0.249 0.000 2.036 440 W HN -0.058 nan 8.180 nan 0.000 0.393 441 P HA -0.236 nan 4.420 nan 0.000 0.215 441 P C 1.355 178.787 177.300 0.221 0.000 1.163 441 P CA 2.076 65.147 63.100 -0.049 0.000 0.894 441 P CB 0.345 31.984 31.700 -0.101 0.000 0.791 442 N N -0.467 118.347 118.700 0.191 0.000 2.550 442 N HA -0.109 4.631 4.740 0.001 0.000 0.186 442 N C 1.483 177.040 175.510 0.077 0.000 1.110 442 N CA 0.684 53.814 53.050 0.134 0.000 0.912 442 N CB -0.494 38.072 38.487 0.132 0.000 0.968 442 N HN 0.433 nan 8.380 nan 0.000 0.448 443 K N -0.130 120.360 120.400 0.149 0.000 2.418 443 K HA 0.026 4.346 4.320 0.001 0.000 0.195 443 K C -0.374 176.029 176.600 -0.328 0.000 1.035 443 K CA 0.211 56.475 56.287 -0.038 0.000 1.003 443 K CB 0.071 32.522 32.500 -0.082 0.000 0.793 443 K HN -0.141 nan 8.250 nan 0.000 0.494 444 F N 1.934 121.781 119.950 -0.171 0.000 2.404 444 F HA 0.380 4.908 4.527 0.001 0.000 0.339 444 F C 0.578 176.064 175.800 -0.523 0.000 1.105 444 F CA -0.556 57.342 58.000 -0.169 0.000 1.087 444 F CB 1.001 40.054 39.000 0.088 0.000 1.143 444 F HN 0.014 nan 8.300 nan 0.000 0.491 445 H N 0.915 120.075 119.070 0.149 0.000 2.960 445 H HA 0.305 4.862 4.556 0.001 0.000 0.338 445 H C -1.241 174.085 175.328 -0.004 0.000 1.261 445 H CA -1.056 55.017 56.048 0.041 0.000 1.136 445 H CB 2.353 32.081 29.762 -0.057 0.000 1.875 445 H HN 0.498 nan 8.280 nan 0.000 0.550 446 N N 0.720 119.476 118.700 0.094 0.000 2.284 446 N HA 0.361 5.102 4.740 0.001 0.000 0.300 446 N C -1.673 173.771 175.510 -0.110 0.000 1.047 446 N CA -0.363 52.688 53.050 0.002 0.000 0.821 446 N CB 2.211 40.703 38.487 0.008 0.000 1.337 446 N HN 0.190 nan 8.380 nan 0.000 0.482 447 V N 2.440 122.249 119.914 -0.175 0.000 2.462 447 V HA 0.203 4.324 4.120 0.001 0.000 0.288 447 V C 0.006 176.061 176.094 -0.064 0.000 1.020 447 V CA -0.668 61.456 62.300 -0.293 0.000 0.857 447 V CB 1.385 32.697 31.823 -0.852 0.000 1.013 447 V HN 0.669 nan 8.190 nan 0.000 0.431 448 T N 4.692 119.249 114.554 0.004 0.000 2.916 448 T HA 0.133 4.484 4.350 0.001 0.000 0.303 448 T C 0.596 175.424 174.700 0.214 0.000 1.025 448 T CA 0.069 62.236 62.100 0.112 0.000 1.142 448 T CB 0.139 69.072 68.868 0.108 0.000 0.947 448 T HN 0.613 nan 8.240 nan 0.000 0.544 449 N N 1.101 119.957 118.700 0.261 0.000 2.307 449 N HA 0.415 5.156 4.740 0.001 0.000 0.230 449 N C 0.473 176.190 175.510 0.347 0.000 1.297 449 N CA 0.315 53.562 53.050 0.329 0.000 0.884 449 N CB 0.450 39.057 38.487 0.201 0.000 1.115 449 N HN 0.865 nan 8.380 nan 0.000 0.436 450 G N -1.209 107.817 108.800 0.377 0.000 2.682 450 G HA2 0.648 4.609 3.960 0.001 0.000 0.290 450 G HA3 0.648 4.609 3.960 0.001 0.000 0.290 450 G C -1.356 173.708 174.900 0.274 0.000 1.425 450 G CA -0.645 44.664 45.100 0.349 0.000 0.807 450 G HN 0.570 nan 8.290 nan 0.000 0.482 451 I N -2.497 118.222 120.570 0.248 0.000 2.865 451 I HA 0.765 4.935 4.170 0.001 0.000 0.302 451 I C -0.161 176.140 176.117 0.308 0.000 1.140 451 I CA -0.950 60.489 61.300 0.232 0.000 1.021 451 I CB 2.336 40.384 38.000 0.081 0.000 1.233 451 I HN 0.482 nan 8.210 nan 0.000 0.427 452 T N 4.210 118.998 114.554 0.390 0.000 2.794 452 T HA 0.456 4.806 4.350 0.001 0.000 0.296 452 T C -1.712 173.145 174.700 0.262 0.000 0.949 452 T CA -1.583 60.676 62.100 0.265 0.000 1.101 452 T CB 0.785 69.754 68.868 0.167 0.000 0.905 452 T HN 0.615 nan 8.240 nan 0.000 0.516 453 P HA 0.074 nan 4.420 nan 0.000 0.234 453 P C 1.136 178.481 177.300 0.075 0.000 1.167 453 P CA 0.325 63.544 63.100 0.198 0.000 0.763 453 P CB 0.276 32.102 31.700 0.211 0.000 0.835 454 R N 0.009 120.473 120.500 -0.059 0.000 2.056 454 R HA 0.021 4.362 4.340 0.001 0.000 0.227 454 R C 2.561 178.779 176.300 -0.137 0.000 1.149 454 R CA 1.479 57.490 56.100 -0.148 0.000 0.937 454 R CB -1.124 29.087 30.300 -0.148 0.000 0.835 454 R HN 0.039 nan 8.270 nan 0.000 0.430 455 R N -0.797 119.562 120.500 -0.235 0.000 2.066 455 R HA -0.118 4.223 4.340 0.001 0.000 0.232 455 R C 1.432 177.437 176.300 -0.490 0.000 1.131 455 R CA 1.702 57.513 56.100 -0.482 0.000 0.955 455 R CB -0.245 29.547 30.300 -0.847 0.000 0.851 455 R HN 0.286 nan 8.270 nan 0.000 0.432 456 W N -0.448 120.868 121.300 0.026 0.000 3.180 456 W HA 0.226 4.887 4.660 0.001 0.000 0.254 456 W C 1.229 177.778 176.519 0.050 0.000 1.318 456 W CA -0.228 57.138 57.345 0.034 0.000 1.608 456 W CB 0.352 29.836 29.460 0.040 0.000 1.124 456 W HN 0.139 nan 8.180 nan 0.000 0.694 457 I N -1.941 118.759 120.570 0.218 0.000 3.814 457 I HA -0.028 4.143 4.170 0.001 0.000 0.264 457 I C 2.183 178.404 176.117 0.174 0.000 1.145 457 I CA -0.079 61.339 61.300 0.197 0.000 1.375 457 I CB -0.223 37.922 38.000 0.242 0.000 1.638 457 I HN -0.382 nan 8.210 nan 0.000 0.432 458 K N 1.176 121.702 120.400 0.210 0.000 2.026 458 K HA -0.243 4.078 4.320 0.001 0.000 0.208 458 K C 2.124 178.726 176.600 0.003 0.000 1.048 458 K CA 2.001 58.375 56.287 0.145 0.000 0.929 458 K CB 0.047 32.556 32.500 0.016 0.000 0.713 458 K HN 0.243 nan 8.250 nan 0.000 0.439 459 Q N 0.008 119.769 119.800 -0.064 0.000 2.089 459 Q HA -0.129 4.212 4.340 0.001 0.000 0.195 459 Q C 2.344 178.279 176.000 -0.109 0.000 0.963 459 Q CA 1.630 57.356 55.803 -0.128 0.000 0.834 459 Q CB 0.070 28.702 28.738 -0.177 0.000 0.906 459 Q HN 0.606 nan 8.270 nan 0.000 0.452 460 C N -0.163 119.086 119.300 -0.085 0.000 2.514 460 C HA 0.260 4.720 4.460 0.001 0.000 0.271 460 C C 1.040 176.021 174.990 -0.015 0.000 1.399 460 C CA -0.290 58.699 59.018 -0.050 0.000 1.765 460 C CB -0.607 27.129 27.740 -0.006 0.000 1.893 460 C HN 0.321 nan 8.230 nan 0.000 0.531 461 N N 1.214 119.913 118.700 -0.002 0.000 2.723 461 N HA 0.301 5.041 4.740 0.001 0.000 0.290 461 N C -1.875 173.623 175.510 -0.020 0.000 1.882 461 N CA -1.665 51.376 53.050 -0.015 0.000 0.851 461 N CB 0.733 39.215 38.487 -0.009 0.000 1.234 461 N HN 0.239 nan 8.380 nan 0.000 0.491 462 P HA -0.059 nan 4.420 nan 0.000 0.218 462 P C 1.040 178.326 177.300 -0.024 0.000 1.149 462 P CA 0.797 63.880 63.100 -0.028 0.000 0.817 462 P CB 0.386 32.046 31.700 -0.066 0.000 0.785 463 A N -0.248 122.543 122.820 -0.049 0.000 1.930 463 A HA -0.123 4.198 4.320 0.001 0.000 0.217 463 A C 2.161 179.687 177.584 -0.096 0.000 1.175 463 A CA 1.224 53.221 52.037 -0.068 0.000 0.627 463 A CB -1.536 17.414 19.000 -0.084 0.000 0.815 463 A HN 0.168 nan 8.150 nan 0.000 0.443 464 L N -0.216 120.936 121.223 -0.117 0.000 2.056 464 L HA 0.020 4.361 4.340 0.001 0.000 0.207 464 L C 2.608 179.403 176.870 -0.125 0.000 1.078 464 L CA 2.057 56.798 54.840 -0.165 0.000 0.749 464 L CB -0.791 41.150 42.059 -0.196 0.000 0.901 464 L HN 0.317 nan 8.230 nan 0.000 0.433 465 A N -0.411 122.394 122.820 -0.026 0.000 1.933 465 A HA -0.114 4.206 4.320 0.001 0.000 0.218 465 A C 2.438 180.121 177.584 0.165 0.000 1.175 465 A CA 1.791 53.911 52.037 0.138 0.000 0.628 465 A CB -1.102 18.101 19.000 0.337 0.000 0.814 465 A HN 0.573 nan 8.150 nan 0.000 0.444 466 A N -0.655 122.209 122.820 0.073 0.000 1.930 466 A HA 0.030 4.351 4.320 0.001 0.000 0.217 466 A C 2.093 179.689 177.584 0.020 0.000 1.175 466 A CA 1.572 53.647 52.037 0.065 0.000 0.627 466 A CB -0.556 18.459 19.000 0.024 0.000 0.815 466 A HN 0.644 nan 8.150 nan 0.000 0.443 467 L N -0.083 121.109 121.223 -0.052 0.000 2.042 467 L HA -0.133 4.208 4.340 0.001 0.000 0.210 467 L C 2.275 179.100 176.870 -0.076 0.000 1.076 467 L CA 1.673 56.457 54.840 -0.094 0.000 0.749 467 L CB -0.451 41.495 42.059 -0.189 0.000 0.893 467 L HN 0.414 nan 8.230 nan 0.000 0.432 468 L N -0.925 120.212 121.223 -0.143 0.000 2.017 468 L HA -0.217 4.124 4.340 0.001 0.000 0.208 468 L C 2.319 179.165 176.870 -0.039 0.000 1.073 468 L CA 1.379 56.050 54.840 -0.283 0.000 0.745 468 L CB -0.920 40.575 42.059 -0.940 0.000 0.894 468 L HN 0.263 nan 8.230 nan 0.000 0.432 469 D N 0.201 120.727 120.400 0.209 0.000 2.116 469 D HA -0.238 4.403 4.640 0.001 0.000 0.193 469 D C 2.122 178.515 176.300 0.155 0.000 0.998 469 D CA 1.399 55.589 54.000 0.317 0.000 0.836 469 D CB -0.047 40.911 40.800 0.263 0.000 0.951 469 D HN 0.231 nan 8.370 nan 0.000 0.449 470 K N 0.231 120.679 120.400 0.080 0.000 2.057 470 K HA -0.032 4.288 4.320 0.001 0.000 0.206 470 K C 1.856 178.472 176.600 0.026 0.000 1.050 470 K CA 1.168 57.484 56.287 0.048 0.000 0.935 470 K CB 0.162 32.673 32.500 0.018 0.000 0.715 470 K HN -0.060 nan 8.250 nan 0.000 0.439 471 S N 0.368 116.040 115.700 -0.047 0.000 2.501 471 S HA 0.152 4.623 4.470 0.001 0.000 0.220 471 S C 0.448 175.049 174.600 0.002 0.000 0.997 471 S CA 0.084 58.178 58.200 -0.176 0.000 0.919 471 S CB 0.116 62.971 63.200 -0.575 0.000 0.778 471 S HN 0.141 nan 8.310 nan 0.000 0.523 472 L N 1.457 122.719 121.223 0.064 0.000 2.331 472 L HA 0.395 4.736 4.340 0.001 0.000 0.275 472 L C 1.428 178.388 176.870 0.151 0.000 1.022 472 L CA -0.509 54.411 54.840 0.134 0.000 0.812 472 L CB 1.246 43.399 42.059 0.157 0.000 1.257 472 L HN 0.002 nan 8.230 nan 0.000 0.435 473 Q N 1.690 121.572 119.800 0.137 0.000 2.172 473 Q HA 0.014 4.354 4.340 0.001 0.000 0.200 473 Q C -0.044 176.024 176.000 0.113 0.000 0.964 473 Q CA 1.187 57.057 55.803 0.112 0.000 0.855 473 Q CB 0.485 29.277 28.738 0.090 0.000 0.918 473 Q HN 0.538 nan 8.270 nan 0.000 0.444 474 K N 0.832 121.311 120.400 0.132 0.000 2.295 474 K HA 0.196 4.517 4.320 0.001 0.000 0.239 474 K C -0.825 175.864 176.600 0.149 0.000 0.991 474 K CA -0.739 55.617 56.287 0.115 0.000 0.845 474 K CB 1.459 34.016 32.500 0.094 0.000 1.197 474 K HN -0.082 nan 8.250 nan 0.000 0.441 475 E N 1.750 121.995 120.200 0.076 0.000 2.452 475 E HA -0.113 4.237 4.350 0.001 0.000 0.261 475 E C -0.008 176.592 176.600 -0.001 0.000 0.987 475 E CA 0.421 56.806 56.400 -0.024 0.000 0.926 475 E CB 0.313 29.985 29.700 -0.046 0.000 0.934 475 E HN 0.628 nan 8.360 nan 0.000 0.452 476 W N 3.446 124.756 121.300 0.017 0.000 2.865 476 W HA 0.396 5.057 4.660 0.001 0.000 0.300 476 W C 0.915 177.398 176.519 -0.060 0.000 1.096 476 W CA 0.309 57.651 57.345 -0.005 0.000 1.524 476 W CB -0.610 28.855 29.460 0.009 0.000 0.991 476 W HN 0.579 nan 8.180 nan 0.000 0.571 477 A N 3.000 125.190 122.820 -1.049 0.000 1.972 477 A HA -0.240 4.081 4.320 0.001 0.000 0.219 477 A C 1.448 178.645 177.584 -0.646 0.000 1.169 477 A CA 1.939 53.311 52.037 -1.108 0.000 0.635 477 A CB -0.994 17.055 19.000 -1.584 0.000 0.810 477 A HN 0.385 nan 8.150 nan 0.000 0.446 478 N N -1.333 117.116 118.700 -0.418 0.000 2.401 478 N HA 0.204 4.945 4.740 0.001 0.000 0.264 478 N C -0.894 174.581 175.510 -0.058 0.000 1.238 478 N CA 0.148 53.085 53.050 -0.189 0.000 0.889 478 N CB 0.476 38.925 38.487 -0.064 0.000 1.196 478 N HN 0.148 nan 8.380 nan 0.000 0.511 479 D N 0.200 120.589 120.400 -0.018 0.000 3.449 479 D HA 0.069 4.709 4.640 0.001 0.000 0.262 479 D C 0.184 176.551 176.300 0.112 0.000 1.343 479 D CA -0.387 53.639 54.000 0.044 0.000 0.787 479 D CB 0.012 40.838 40.800 0.043 0.000 1.412 479 D HN -0.011 nan 8.370 nan 0.000 0.652 480 L N 0.875 122.169 121.223 0.119 0.000 2.362 480 L HA 0.026 4.367 4.340 0.001 0.000 0.219 480 L C 1.432 178.375 176.870 0.121 0.000 1.134 480 L CA 1.463 56.408 54.840 0.175 0.000 0.807 480 L CB -0.058 42.097 42.059 0.160 0.000 0.927 480 L HN 0.203 nan 8.230 nan 0.000 0.447 481 D N -0.734 119.710 120.400 0.074 0.000 2.311 481 D HA -0.184 4.457 4.640 0.001 0.000 0.212 481 D C 1.843 178.179 176.300 0.061 0.000 0.972 481 D CA 0.629 54.655 54.000 0.043 0.000 0.887 481 D CB 0.113 40.925 40.800 0.019 0.000 0.915 481 D HN 0.450 nan 8.370 nan 0.000 0.497 482 Q N -0.071 119.791 119.800 0.103 0.000 2.364 482 Q HA -0.061 4.280 4.340 0.001 0.000 0.207 482 Q C 2.032 178.087 176.000 0.092 0.000 0.970 482 Q CA 0.196 56.067 55.803 0.113 0.000 0.888 482 Q CB -0.082 28.764 28.738 0.179 0.000 0.951 482 Q HN 0.291 nan 8.270 nan 0.000 0.469 483 L N 0.255 121.525 121.223 0.077 0.000 2.265 483 L HA -0.138 4.202 4.340 0.001 0.000 0.215 483 L C 2.067 178.947 176.870 0.017 0.000 1.117 483 L CA 0.855 55.708 54.840 0.021 0.000 0.782 483 L CB -0.745 41.318 42.059 0.008 0.000 0.914 483 L HN 0.174 nan 8.230 nan 0.000 0.441 484 I N -0.353 120.230 120.570 0.021 0.000 2.567 484 I HA -0.235 3.936 4.170 0.001 0.000 0.257 484 I C 1.983 178.102 176.117 0.002 0.000 1.184 484 I CA 1.089 62.391 61.300 0.004 0.000 1.451 484 I CB -0.374 37.624 38.000 -0.003 0.000 1.089 484 I HN 0.315 nan 8.210 nan 0.000 0.441 485 N N 0.215 118.931 118.700 0.026 0.000 2.573 485 N HA -0.056 4.684 4.740 0.001 0.000 0.187 485 N C 1.690 177.255 175.510 0.091 0.000 1.107 485 N CA 0.816 53.891 53.050 0.041 0.000 0.918 485 N CB -0.090 38.441 38.487 0.073 0.000 0.966 485 N HN 0.436 nan 8.380 nan 0.000 0.448 486 L N 0.766 122.031 121.223 0.070 0.000 2.395 486 L HA -0.027 4.313 4.340 0.001 0.000 0.218 486 L C 2.010 178.882 176.870 0.004 0.000 1.130 486 L CA 0.478 55.377 54.840 0.099 0.000 0.826 486 L CB -0.179 41.866 42.059 -0.022 0.000 0.941 486 L HN 0.107 nan 8.230 nan 0.000 0.451 487 E N 1.068 121.237 120.200 -0.051 0.000 2.086 487 E HA -0.311 4.039 4.350 0.001 0.000 0.200 487 E C 2.024 178.531 176.600 -0.156 0.000 1.012 487 E CA 2.098 58.440 56.400 -0.098 0.000 0.812 487 E CB -0.071 29.578 29.700 -0.084 0.000 0.743 487 E HN 0.582 nan 8.360 nan 0.000 0.453 488 K N -0.046 120.218 120.400 -0.227 0.000 2.209 488 K HA -0.122 4.199 4.320 0.001 0.000 0.204 488 K C 1.643 178.002 176.600 -0.402 0.000 1.048 488 K CA 1.340 57.431 56.287 -0.327 0.000 0.940 488 K CB -0.301 31.938 32.500 -0.435 0.000 0.729 488 K HN 0.045 nan 8.250 nan 0.000 0.451 489 F N 1.722 121.443 119.950 -0.381 0.000 2.604 489 F HA 0.093 4.620 4.527 0.001 0.000 0.298 489 F C 2.331 177.872 175.800 -0.431 0.000 1.131 489 F CA 0.551 58.202 58.000 -0.583 0.000 1.457 489 F CB -0.194 37.980 39.000 -1.376 0.000 1.095 489 F HN 0.112 nan 8.300 nan 0.000 0.574 490 A N -0.577 122.151 122.820 -0.153 0.000 2.209 490 A HA -0.097 4.224 4.320 0.001 0.000 0.212 490 A C 1.388 178.949 177.584 -0.037 0.000 1.158 490 A CA 1.456 53.449 52.037 -0.074 0.000 0.742 490 A CB -0.475 18.464 19.000 -0.101 0.000 0.790 490 A HN 0.204 nan 8.150 nan 0.000 0.472 491 D N -0.785 119.579 120.400 -0.060 0.000 2.389 491 D HA 0.095 4.736 4.640 0.001 0.000 0.206 491 D C -0.236 176.058 176.300 -0.010 0.000 1.055 491 D CA 0.152 54.125 54.000 -0.046 0.000 0.856 491 D CB 0.089 40.840 40.800 -0.082 0.000 0.957 491 D HN 0.468 nan 8.370 nan 0.000 0.509 492 D N 0.071 120.488 120.400 0.028 0.000 2.347 492 D HA 0.371 5.011 4.640 0.001 0.000 0.235 492 D C 1.196 177.588 176.300 0.153 0.000 1.149 492 D CA -0.304 53.754 54.000 0.097 0.000 0.850 492 D CB 1.249 42.157 40.800 0.181 0.000 1.061 492 D HN -0.062 nan 8.370 nan 0.000 0.487 493 A N 4.749 127.630 122.820 0.101 0.000 1.978 493 A HA -0.202 4.119 4.320 0.001 0.000 0.220 493 A C 1.999 179.650 177.584 0.111 0.000 1.170 493 A CA 1.383 53.476 52.037 0.094 0.000 0.636 493 A CB -0.407 18.626 19.000 0.055 0.000 0.810 493 A HN 0.649 nan 8.150 nan 0.000 0.448 494 K N -1.517 118.957 120.400 0.124 0.000 2.025 494 K HA -0.145 4.176 4.320 0.001 0.000 0.207 494 K C 1.812 178.493 176.600 0.135 0.000 1.049 494 K CA 1.524 57.877 56.287 0.109 0.000 0.933 494 K CB -0.345 32.219 32.500 0.107 0.000 0.714 494 K HN 0.388 nan 8.250 nan 0.000 0.438 495 F N 2.012 122.006 119.950 0.074 0.000 2.091 495 F HA -0.214 4.314 4.527 0.001 0.000 0.299 495 F C 2.189 178.031 175.800 0.070 0.000 1.103 495 F CA 1.616 59.654 58.000 0.065 0.000 1.228 495 F CB -0.025 39.046 39.000 0.118 0.000 0.984 495 F HN -0.017 nan 8.300 nan 0.000 0.477 496 R N -0.168 120.486 120.500 0.255 0.000 2.105 496 R HA -0.224 4.116 4.340 0.001 0.000 0.239 496 R C 2.363 178.704 176.300 0.068 0.000 1.135 496 R CA 1.711 57.904 56.100 0.156 0.000 0.967 496 R CB -0.730 29.649 30.300 0.133 0.000 0.861 496 R HN 0.492 nan 8.270 nan 0.000 0.442 497 Q N 0.998 120.822 119.800 0.041 0.000 2.050 497 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 497 Q C 1.984 177.961 176.000 -0.038 0.000 0.980 497 Q CA 1.557 57.365 55.803 0.008 0.000 0.840 497 Q CB 0.100 28.843 28.738 0.008 0.000 0.898 497 Q HN 0.451 nan 8.270 nan 0.000 0.424 498 Q N -0.832 118.910 119.800 -0.096 0.000 2.084 498 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 498 Q C 1.866 177.751 176.000 -0.191 0.000 0.978 498 Q CA 1.666 57.370 55.803 -0.165 0.000 0.844 498 Q CB -0.251 28.339 28.738 -0.247 0.000 0.898 498 Q HN 0.463 nan 8.270 nan 0.000 0.426 499 Y N 1.233 121.302 120.300 -0.385 0.000 2.200 499 Y HA -0.209 4.342 4.550 0.001 0.000 0.290 499 Y C 2.475 178.286 175.900 -0.149 0.000 1.137 499 Y CA 1.644 59.548 58.100 -0.327 0.000 1.163 499 Y CB 0.026 38.282 38.460 -0.339 0.000 0.988 499 Y HN -0.089 nan 8.280 nan 0.000 0.518 500 R N 0.366 120.926 120.500 0.099 0.000 2.092 500 R HA -0.157 4.184 4.340 0.001 0.000 0.231 500 R C 1.998 178.271 176.300 -0.045 0.000 1.119 500 R CA 1.826 57.965 56.100 0.064 0.000 0.970 500 R CB -0.214 30.131 30.300 0.074 0.000 0.864 500 R HN 0.442 nan 8.270 nan 0.000 0.440 501 E N 0.247 120.406 120.200 -0.068 0.000 2.110 501 E HA -0.173 4.178 4.350 0.001 0.000 0.193 501 E C 1.958 178.490 176.600 -0.113 0.000 0.988 501 E CA 1.367 57.718 56.400 -0.082 0.000 0.804 501 E CB -0.039 29.617 29.700 -0.074 0.000 0.745 501 E HN 0.392 nan 8.360 nan 0.000 0.458 502 I N 0.905 121.376 120.570 -0.166 0.000 2.179 502 I HA -0.275 3.896 4.170 0.001 0.000 0.242 502 I C 2.393 178.401 176.117 -0.182 0.000 1.088 502 I CA 0.943 62.127 61.300 -0.193 0.000 1.357 502 I CB -0.113 37.718 38.000 -0.280 0.000 1.051 502 I HN -0.012 nan 8.210 nan 0.000 0.409 503 K N 0.832 121.106 120.400 -0.210 0.000 2.032 503 K HA -0.226 4.095 4.320 0.001 0.000 0.209 503 K C 2.139 178.667 176.600 -0.120 0.000 1.048 503 K CA 1.702 57.900 56.287 -0.147 0.000 0.927 503 K CB -0.274 32.175 32.500 -0.086 0.000 0.712 503 K HN 0.201 nan 8.250 nan 0.000 0.441 504 Q N -0.322 119.410 119.800 -0.113 0.000 2.124 504 Q HA -0.042 4.298 4.340 0.001 0.000 0.202 504 Q C 2.120 178.061 176.000 -0.098 0.000 0.977 504 Q CA 1.531 57.261 55.803 -0.122 0.000 0.850 504 Q CB -0.374 28.303 28.738 -0.101 0.000 0.901 504 Q HN 0.459 nan 8.270 nan 0.000 0.429 505 A N 1.540 124.312 122.820 -0.080 0.000 1.969 505 A HA -0.179 4.141 4.320 0.001 0.000 0.218 505 A C 1.826 179.388 177.584 -0.037 0.000 1.169 505 A CA 1.359 53.364 52.037 -0.053 0.000 0.635 505 A CB -0.337 18.632 19.000 -0.052 0.000 0.810 505 A HN 0.290 nan 8.150 nan 0.000 0.445 506 N N 0.149 118.819 118.700 -0.051 0.000 2.188 506 N HA -0.103 4.638 4.740 0.001 0.000 0.184 506 N C 1.555 177.078 175.510 0.022 0.000 1.018 506 N CA 1.424 54.463 53.050 -0.019 0.000 0.858 506 N CB -0.312 38.154 38.487 -0.034 0.000 0.989 506 N HN 0.564 nan 8.380 nan 0.000 0.426 507 K N 0.319 120.696 120.400 -0.038 0.000 2.148 507 K HA 0.014 4.335 4.320 0.001 0.000 0.204 507 K C 1.899 178.562 176.600 0.105 0.000 1.050 507 K CA 0.558 56.822 56.287 -0.037 0.000 0.942 507 K CB 0.004 32.188 32.500 -0.527 0.000 0.724 507 K HN -0.048 nan 8.250 nan 0.000 0.446 508 V N 1.363 121.297 119.914 0.033 0.000 2.427 508 V HA -0.206 3.915 4.120 0.001 0.000 0.248 508 V C 2.166 178.322 176.094 0.103 0.000 1.051 508 V CA 1.556 63.898 62.300 0.070 0.000 1.048 508 V CB -0.400 31.439 31.823 0.026 0.000 0.666 508 V HN 0.269 nan 8.190 nan 0.000 0.456 509 R N -0.558 119.993 120.500 0.085 0.000 2.092 509 R HA -0.124 4.217 4.340 0.001 0.000 0.231 509 R C 2.222 178.612 176.300 0.150 0.000 1.119 509 R CA 1.378 57.534 56.100 0.094 0.000 0.970 509 R CB -0.486 29.846 30.300 0.053 0.000 0.864 509 R HN 0.386 nan 8.270 nan 0.000 0.440 510 L N 0.826 122.158 121.223 0.183 0.000 2.093 510 L HA -0.025 4.316 4.340 0.001 0.000 0.208 510 L C 2.225 179.254 176.870 0.265 0.000 1.085 510 L CA 1.745 56.730 54.840 0.241 0.000 0.755 510 L CB -0.606 41.621 42.059 0.280 0.000 0.904 510 L HN 0.086 nan 8.230 nan 0.000 0.435 511 A N -0.503 122.471 122.820 0.257 0.000 1.908 511 A HA -0.256 4.064 4.320 0.001 0.000 0.218 511 A C 2.139 179.813 177.584 0.149 0.000 1.181 511 A CA 2.010 54.163 52.037 0.193 0.000 0.627 511 A CB -0.639 18.488 19.000 0.212 0.000 0.818 511 A HN 0.643 nan 8.150 nan 0.000 0.445 512 E N -1.540 118.755 120.200 0.159 0.000 2.072 512 E HA -0.147 4.204 4.350 0.001 0.000 0.191 512 E C 1.765 178.467 176.600 0.171 0.000 0.985 512 E CA 1.244 57.726 56.400 0.136 0.000 0.801 512 E CB -0.283 29.494 29.700 0.128 0.000 0.750 512 E HN 0.692 nan 8.360 nan 0.000 0.452 513 F N 1.183 121.168 119.950 0.058 0.000 2.134 513 F HA -0.189 4.339 4.527 0.001 0.000 0.299 513 F C 2.048 177.881 175.800 0.054 0.000 1.097 513 F CA 0.977 59.011 58.000 0.057 0.000 1.264 513 F CB -0.163 38.877 39.000 0.066 0.000 1.001 513 F HN -0.202 nan 8.300 nan 0.000 0.479 514 V N 0.757 120.724 119.914 0.089 0.000 2.427 514 V HA -0.299 3.821 4.120 0.001 0.000 0.248 514 V C 2.446 178.504 176.094 -0.060 0.000 1.051 514 V CA 2.211 64.494 62.300 -0.028 0.000 1.048 514 V CB -0.734 31.107 31.823 0.029 0.000 0.666 514 V HN 0.350 nan 8.190 nan 0.000 0.456 515 K N 0.643 121.036 120.400 -0.011 0.000 2.057 515 K HA -0.169 4.152 4.320 0.001 0.000 0.207 515 K C 2.101 178.676 176.600 -0.041 0.000 1.049 515 K CA 1.986 58.267 56.287 -0.011 0.000 0.931 515 K CB -0.255 32.257 32.500 0.019 0.000 0.714 515 K HN 0.431 nan 8.250 nan 0.000 0.440 516 V N -0.556 119.318 119.914 -0.066 0.000 2.453 516 V HA -0.068 4.052 4.120 0.001 0.000 0.247 516 V C 1.952 177.963 176.094 -0.138 0.000 1.048 516 V CA 1.120 63.371 62.300 -0.081 0.000 1.049 516 V CB -0.471 31.317 31.823 -0.057 0.000 0.672 516 V HN 0.243 nan 8.190 nan 0.000 0.457 517 R N 1.218 121.563 120.500 -0.258 0.000 2.193 517 R HA 0.064 4.405 4.340 0.001 0.000 0.213 517 R C 2.083 178.315 176.300 -0.114 0.000 1.055 517 R CA 1.583 57.530 56.100 -0.255 0.000 0.995 517 R CB -0.434 29.592 30.300 -0.455 0.000 0.893 517 R HN 0.833 nan 8.270 nan 0.000 0.459 518 T N -6.057 108.452 114.554 -0.074 0.000 3.046 518 T HA 0.212 4.562 4.350 0.001 0.000 0.270 518 T C 1.241 175.940 174.700 -0.002 0.000 0.920 518 T CA 0.635 62.729 62.100 -0.011 0.000 0.874 518 T CB 0.898 69.779 68.868 0.023 0.000 1.214 518 T HN 0.255 nan 8.240 nan 0.000 0.536 519 G N 1.800 110.592 108.800 -0.014 0.000 2.179 519 G HA2 -0.213 3.747 3.960 0.001 0.000 0.260 519 G HA3 -0.213 3.747 3.960 0.001 0.000 0.260 519 G C 0.011 174.913 174.900 0.003 0.000 0.977 519 G CA 0.260 45.359 45.100 -0.003 0.000 0.641 519 G HN 0.702 nan 8.290 nan 0.000 0.533 520 I N 0.924 121.496 120.570 0.003 0.000 2.428 520 I HA 0.352 4.522 4.170 0.001 0.000 0.289 520 I C 0.608 176.727 176.117 0.004 0.000 1.019 520 I CA -0.358 60.944 61.300 0.004 0.000 1.351 520 I CB 1.413 39.416 38.000 0.004 0.000 1.412 520 I HN 0.169 nan 8.210 nan 0.000 0.513 521 E N 7.127 127.331 120.200 0.007 0.000 2.115 521 E HA 0.425 4.776 4.350 0.001 0.000 0.282 521 E C -0.913 175.695 176.600 0.014 0.000 0.987 521 E CA -0.604 55.806 56.400 0.017 0.000 0.797 521 E CB 0.939 30.652 29.700 0.020 0.000 1.086 521 E HN 0.488 nan 8.360 nan 0.000 0.397 522 I N 1.371 121.953 120.570 0.019 0.000 2.562 522 I HA 0.511 4.682 4.170 0.001 0.000 0.301 522 I C -0.430 175.748 176.117 0.101 0.000 1.003 522 I CA -1.201 60.108 61.300 0.016 0.000 1.127 522 I CB 1.703 39.644 38.000 -0.098 0.000 1.304 522 I HN 0.294 nan 8.210 nan 0.000 0.446 523 N N 6.142 124.914 118.700 0.120 0.000 2.408 523 N HA 0.372 5.113 4.740 0.001 0.000 0.257 523 N C -1.998 173.658 175.510 0.244 0.000 1.064 523 N CA -2.301 50.833 53.050 0.140 0.000 0.952 523 N CB 1.049 39.584 38.487 0.080 0.000 1.093 523 N HN 0.397 nan 8.380 nan 0.000 0.490 524 P HA -0.002 nan 4.420 nan 0.000 0.242 524 P C 0.366 177.588 177.300 -0.131 0.000 1.197 524 P CA 0.664 63.761 63.100 -0.005 0.000 0.765 524 P CB 0.367 32.056 31.700 -0.019 0.000 0.936 525 Q N -0.836 118.946 119.800 -0.030 0.000 2.398 525 Q HA 0.175 4.515 4.340 0.001 0.000 0.204 525 Q C 1.040 177.016 176.000 -0.039 0.000 0.932 525 Q CA 0.129 55.907 55.803 -0.041 0.000 0.916 525 Q CB -0.017 28.714 28.738 -0.011 0.000 1.024 525 Q HN 0.183 nan 8.270 nan 0.000 0.504 526 A N 1.066 123.884 122.820 -0.004 0.000 2.313 526 A HA 0.336 4.657 4.320 0.001 0.000 0.261 526 A C 0.171 177.666 177.584 -0.148 0.000 1.090 526 A CA -0.463 51.554 52.037 -0.034 0.000 0.807 526 A CB 0.178 19.207 19.000 0.049 0.000 1.055 526 A HN 0.240 nan 8.150 nan 0.000 0.492 527 I N 1.338 121.694 120.570 -0.356 0.000 2.533 527 I HA 0.026 4.197 4.170 0.001 0.000 0.284 527 I C -0.698 175.365 176.117 -0.091 0.000 1.109 527 I CA 0.216 61.197 61.300 -0.531 0.000 1.412 527 I CB 0.089 37.625 38.000 -0.773 0.000 1.396 527 I HN 0.350 nan 8.210 nan 0.000 0.543 528 F N 5.139 124.905 119.950 -0.306 0.000 2.390 528 F HA 0.198 4.726 4.527 0.001 0.000 0.361 528 F C 0.603 176.237 175.800 -0.278 0.000 1.124 528 F CA -0.924 56.930 58.000 -0.244 0.000 1.149 528 F CB 0.126 39.051 39.000 -0.126 0.000 1.160 528 F HN 0.377 nan 8.300 nan 0.000 0.501 529 D N 5.645 125.877 120.400 -0.280 0.000 2.392 529 D HA 0.358 4.998 4.640 0.001 0.000 0.228 529 D C -0.595 175.520 176.300 -0.308 0.000 1.074 529 D CA -0.083 53.690 54.000 -0.379 0.000 0.838 529 D CB 0.779 41.062 40.800 -0.862 0.000 1.067 529 D HN 0.342 nan 8.370 nan 0.000 0.511 530 I N 2.921 123.376 120.570 -0.192 0.000 2.436 530 I HA 0.229 4.400 4.170 0.001 0.000 0.289 530 I C -0.095 175.882 176.117 -0.233 0.000 1.010 530 I CA -0.718 60.451 61.300 -0.219 0.000 1.098 530 I CB 2.291 40.221 38.000 -0.117 0.000 1.266 530 I HN 0.196 nan 8.210 nan 0.000 0.434 531 Q N 7.964 127.542 119.800 -0.370 0.000 2.454 531 Q HA 0.530 4.870 4.340 0.001 0.000 0.255 531 Q C -1.322 174.490 176.000 -0.313 0.000 1.034 531 Q CA -0.531 55.083 55.803 -0.315 0.000 0.736 531 Q CB 1.350 29.880 28.738 -0.345 0.000 1.210 531 Q HN 0.709 nan 8.270 nan 0.000 0.500 532 I N 1.887 122.284 120.570 -0.290 0.000 2.418 532 I HA 0.708 4.879 4.170 0.001 0.000 0.287 532 I C -1.079 174.837 176.117 -0.335 0.000 1.008 532 I CA -0.659 60.355 61.300 -0.476 0.000 1.104 532 I CB 1.250 38.923 38.000 -0.546 0.000 1.264 532 I HN 0.526 nan 8.210 nan 0.000 0.438 533 K N 3.724 123.929 120.400 -0.324 0.000 3.191 533 K HA 0.320 4.640 4.320 0.001 0.000 0.325 533 K C -1.452 175.143 176.600 -0.009 0.000 1.105 533 K CA -1.137 55.109 56.287 -0.069 0.000 0.843 533 K CB 0.643 33.093 32.500 -0.084 0.000 1.452 533 K HN 0.639 nan 8.250 nan 0.000 0.393 534 R N 0.487 121.020 120.500 0.055 0.000 2.698 534 R HA 0.079 4.420 4.340 0.001 0.000 0.266 534 R C 0.010 176.324 176.300 0.023 0.000 1.026 534 R CA -0.681 55.466 56.100 0.079 0.000 1.102 534 R CB 0.120 30.479 30.300 0.098 0.000 0.978 534 R HN 0.372 nan 8.270 nan 0.000 0.436 535 L N 4.465 125.716 121.223 0.045 0.000 2.325 535 L HA 0.155 4.495 4.340 0.001 0.000 0.284 535 L C -0.535 176.275 176.870 -0.101 0.000 1.089 535 L CA 0.637 55.455 54.840 -0.038 0.000 0.836 535 L CB -0.148 41.897 42.059 -0.024 0.000 1.184 535 L HN 0.599 nan 8.230 nan 0.000 0.444 536 H N 3.361 122.286 119.070 -0.243 0.000 2.974 536 H HA 0.161 4.717 4.556 0.001 0.000 0.366 536 H C 0.351 175.499 175.328 -0.301 0.000 1.155 536 H CA -0.364 55.555 56.048 -0.216 0.000 1.186 536 H CB 1.672 31.284 29.762 -0.250 0.000 1.799 536 H HN 0.699 nan 8.280 nan 0.000 0.541 537 E N 2.239 122.454 120.200 0.025 0.000 2.130 537 E HA -0.247 4.104 4.350 0.001 0.000 0.196 537 E C 1.272 177.727 176.600 -0.241 0.000 0.998 537 E CA 1.937 58.294 56.400 -0.072 0.000 0.806 537 E CB 0.020 29.744 29.700 0.040 0.000 0.738 537 E HN 0.601 nan 8.360 nan 0.000 0.459 538 Y N 0.007 120.058 120.300 -0.415 0.000 2.373 538 Y HA 0.023 4.574 4.550 0.001 0.000 0.293 538 Y C 1.543 177.305 175.900 -0.230 0.000 1.129 538 Y CA 0.762 58.458 58.100 -0.674 0.000 1.226 538 Y CB -0.162 37.917 38.460 -0.635 0.000 1.000 538 Y HN -0.191 nan 8.280 nan 0.000 0.549 539 K N 0.781 120.766 120.400 -0.692 0.000 2.365 539 K HA 0.027 4.347 4.320 0.001 0.000 0.199 539 K C 0.167 176.686 176.600 -0.136 0.000 1.045 539 K CA 0.709 56.738 56.287 -0.430 0.000 0.962 539 K CB -0.099 32.115 32.500 -0.477 0.000 0.759 539 K HN 0.267 nan 8.250 nan 0.000 0.469 540 R N 0.262 120.748 120.500 -0.023 0.000 3.336 540 R HA -0.230 4.110 4.340 0.001 0.000 0.260 540 R C 0.287 176.678 176.300 0.153 0.000 1.032 540 R CA 0.234 56.418 56.100 0.139 0.000 0.693 540 R CB -1.998 28.298 30.300 -0.006 0.000 1.134 540 R HN 0.302 nan 8.270 nan 0.000 0.433 541 Q N 0.017 119.907 119.800 0.150 0.000 2.248 541 Q HA -0.188 4.153 4.340 0.001 0.000 0.208 541 Q C 2.069 178.188 176.000 0.198 0.000 0.984 541 Q CA 2.009 57.912 55.803 0.167 0.000 0.875 541 Q CB -0.199 28.576 28.738 0.062 0.000 0.910 541 Q HN 0.706 nan 8.270 nan 0.000 0.433 542 H N -0.927 118.127 119.070 -0.027 0.000 2.462 542 H HA -0.047 4.510 4.556 0.001 0.000 0.292 542 H C 1.838 177.186 175.328 0.033 0.000 1.049 542 H CA 0.908 56.940 56.048 -0.028 0.000 1.334 542 H CB -0.671 29.071 29.762 -0.034 0.000 1.404 542 H HN 0.254 nan 8.280 nan 0.000 0.544 543 L N 1.509 122.693 121.223 -0.066 0.000 2.056 543 L HA -0.085 4.255 4.340 0.001 0.000 0.207 543 L C 2.177 179.145 176.870 0.165 0.000 1.078 543 L CA 1.954 56.791 54.840 -0.006 0.000 0.749 543 L CB -1.188 40.794 42.059 -0.127 0.000 0.901 543 L HN 0.388 nan 8.230 nan 0.000 0.433 544 N N -1.024 117.768 118.700 0.153 0.000 2.069 544 N HA -0.271 4.470 4.740 0.001 0.000 0.191 544 N C 1.976 177.608 175.510 0.202 0.000 1.031 544 N CA 1.517 54.738 53.050 0.286 0.000 0.852 544 N CB -0.203 38.451 38.487 0.278 0.000 1.018 544 N HN 0.354 nan 8.380 nan 0.000 0.423 545 L N 1.310 122.610 121.223 0.128 0.000 2.012 545 L HA -0.117 4.224 4.340 0.001 0.000 0.210 545 L C 1.975 178.831 176.870 -0.023 0.000 1.073 545 L CA 1.424 56.246 54.840 -0.029 0.000 0.748 545 L CB -0.610 41.374 42.059 -0.126 0.000 0.891 545 L HN 0.303 nan 8.230 nan 0.000 0.431 546 L N -1.072 120.202 121.223 0.086 0.000 2.042 546 L HA -0.296 4.045 4.340 0.001 0.000 0.210 546 L C 2.713 179.769 176.870 0.310 0.000 1.076 546 L CA 1.873 56.809 54.840 0.160 0.000 0.749 546 L CB -1.074 41.092 42.059 0.179 0.000 0.893 546 L HN 0.537 nan 8.230 nan 0.000 0.432 547 H N 0.531 119.746 119.070 0.241 0.000 2.389 547 H HA -0.128 4.428 4.556 0.001 0.000 0.299 547 H C 2.348 177.608 175.328 -0.113 0.000 1.081 547 H CA 1.554 57.639 56.048 0.062 0.000 1.345 547 H CB 0.215 29.917 29.762 -0.100 0.000 1.393 547 H HN 0.294 nan 8.280 nan 0.000 0.520 548 I N 0.778 121.097 120.570 -0.419 0.000 2.179 548 I HA -0.310 3.861 4.170 0.001 0.000 0.242 548 I C 2.593 178.530 176.117 -0.299 0.000 1.088 548 I CA 0.890 61.815 61.300 -0.625 0.000 1.357 548 I CB -0.221 37.380 38.000 -0.666 0.000 1.051 548 I HN 0.230 nan 8.210 nan 0.000 0.409 549 L N 0.441 121.573 121.223 -0.151 0.000 2.083 549 L HA -0.214 4.127 4.340 0.001 0.000 0.209 549 L C 2.830 179.721 176.870 0.036 0.000 1.083 549 L CA 1.356 56.192 54.840 -0.006 0.000 0.752 549 L CB -0.703 41.347 42.059 -0.016 0.000 0.899 549 L HN 0.249 nan 8.230 nan 0.000 0.433 550 A N -0.085 122.751 122.820 0.026 0.000 1.902 550 A HA -0.181 4.140 4.320 0.001 0.000 0.217 550 A C 2.280 179.851 177.584 -0.023 0.000 1.181 550 A CA 1.436 53.511 52.037 0.063 0.000 0.623 550 A CB -0.707 18.409 19.000 0.194 0.000 0.818 550 A HN 0.344 nan 8.150 nan 0.000 0.443 551 L N -1.870 119.261 121.223 -0.153 0.000 2.046 551 L HA -0.205 4.136 4.340 0.001 0.000 0.208 551 L C 2.631 179.518 176.870 0.028 0.000 1.077 551 L CA 1.760 56.529 54.840 -0.117 0.000 0.747 551 L CB -0.523 41.401 42.059 -0.225 0.000 0.896 551 L HN 0.607 nan 8.230 nan 0.000 0.432 552 Y N 1.095 121.326 120.300 -0.116 0.000 2.145 552 Y HA -0.305 4.245 4.550 0.001 0.000 0.286 552 Y C 2.635 178.520 175.900 -0.024 0.000 1.145 552 Y CA 1.737 59.802 58.100 -0.060 0.000 1.148 552 Y CB -0.426 38.000 38.460 -0.058 0.000 0.981 552 Y HN 0.064 nan 8.280 nan 0.000 0.507 553 K N 0.393 120.744 120.400 -0.082 0.000 2.063 553 K HA -0.271 4.050 4.320 0.001 0.000 0.208 553 K C 2.232 178.780 176.600 -0.088 0.000 1.048 553 K CA 1.910 58.099 56.287 -0.163 0.000 0.928 553 K CB -0.348 32.107 32.500 -0.075 0.000 0.713 553 K HN 0.511 nan 8.250 nan 0.000 0.442 554 E N 0.956 121.139 120.200 -0.028 0.000 2.085 554 E HA -0.201 4.150 4.350 0.001 0.000 0.194 554 E C 2.091 178.686 176.600 -0.009 0.000 0.994 554 E CA 1.644 58.036 56.400 -0.013 0.000 0.801 554 E CB -0.229 29.470 29.700 -0.001 0.000 0.743 554 E HN 0.590 nan 8.360 nan 0.000 0.453 555 I N -1.931 118.647 120.570 0.013 0.000 2.439 555 I HA -0.137 4.034 4.170 0.001 0.000 0.251 555 I C 2.215 178.339 176.117 0.010 0.000 1.139 555 I CA 0.830 62.148 61.300 0.031 0.000 1.438 555 I CB -0.374 37.670 38.000 0.072 0.000 1.085 555 I HN -0.027 nan 8.210 nan 0.000 0.427 556 R N 1.338 121.813 120.500 -0.041 0.000 2.081 556 R HA -0.087 4.254 4.340 0.001 0.000 0.235 556 R C 1.755 178.017 176.300 -0.064 0.000 1.131 556 R CA 1.747 57.799 56.100 -0.081 0.000 0.960 556 R CB -0.227 29.935 30.300 -0.230 0.000 0.856 556 R HN 0.554 nan 8.270 nan 0.000 0.436 557 E N -0.129 120.032 120.200 -0.065 0.000 2.489 557 E HA -0.000 4.351 4.350 0.001 0.000 0.193 557 E C -0.297 176.288 176.600 -0.026 0.000 1.057 557 E CA -0.041 56.331 56.400 -0.047 0.000 0.866 557 E CB 0.274 29.944 29.700 -0.050 0.000 0.916 557 E HN 0.063 nan 8.360 nan 0.000 0.500 558 N N 0.099 118.788 118.700 -0.017 0.000 2.793 558 N HA 0.058 4.798 4.740 0.001 0.000 0.251 558 N C -2.348 173.162 175.510 -0.001 0.000 1.308 558 N CA -1.500 51.545 53.050 -0.008 0.000 0.781 558 N CB 1.070 39.554 38.487 -0.005 0.000 1.439 558 N HN -0.228 nan 8.380 nan 0.000 0.562 559 P HA -0.126 nan 4.420 nan 0.000 0.223 559 P C 0.301 177.605 177.300 0.007 0.000 1.144 559 P CA 1.096 64.199 63.100 0.006 0.000 0.783 559 P CB 0.572 32.274 31.700 0.005 0.000 0.771 560 Q N -0.585 119.217 119.800 0.004 0.000 2.246 560 Q HA 0.330 4.671 4.340 0.001 0.000 0.202 560 Q C 0.530 176.533 176.000 0.005 0.000 0.883 560 Q CA -0.261 55.545 55.803 0.004 0.000 0.952 560 Q CB -0.288 28.451 28.738 0.003 0.000 1.078 560 Q HN 0.135 nan 8.270 nan 0.000 0.493 561 A N 1.301 124.124 122.820 0.005 0.000 2.540 561 A HA -0.057 4.263 4.320 0.001 0.000 0.264 561 A C 0.077 177.664 177.584 0.005 0.000 1.080 561 A CA -0.047 51.993 52.037 0.005 0.000 0.776 561 A CB -0.082 18.922 19.000 0.006 0.000 1.011 561 A HN 0.154 nan 8.150 nan 0.000 0.514 562 D N 2.405 122.808 120.400 0.004 0.000 2.606 562 D HA 0.047 4.688 4.640 0.001 0.000 0.234 562 D C -0.054 176.247 176.300 0.002 0.000 1.140 562 D CA 0.506 54.509 54.000 0.004 0.000 1.182 562 D CB -0.265 40.538 40.800 0.006 0.000 1.130 562 D HN 0.309 nan 8.370 nan 0.000 0.485 563 R N 0.928 121.428 120.500 -0.001 0.000 2.621 563 R HA 0.333 4.673 4.340 0.001 0.000 0.292 563 R C -0.678 175.612 176.300 -0.016 0.000 0.969 563 R CA -1.052 55.043 56.100 -0.008 0.000 0.887 563 R CB 1.583 31.880 30.300 -0.005 0.000 1.180 563 R HN 0.108 nan 8.270 nan 0.000 0.450 564 V N 2.588 122.480 119.914 -0.036 0.000 2.649 564 V HA 0.448 4.569 4.120 0.001 0.000 0.292 564 V C -2.078 173.968 176.094 -0.080 0.000 1.055 564 V CA -1.830 60.437 62.300 -0.055 0.000 1.023 564 V CB 1.006 32.793 31.823 -0.061 0.000 0.992 564 V HN 0.549 nan 8.190 nan 0.000 0.480 565 P HA 0.251 nan 4.420 nan 0.000 0.265 565 P C -0.855 176.374 177.300 -0.118 0.000 1.187 565 P CA 0.331 63.396 63.100 -0.058 0.000 0.766 565 P CB 0.257 31.937 31.700 -0.032 0.000 0.820 566 R N 1.006 121.448 120.500 -0.096 0.000 2.771 566 R HA 0.644 4.985 4.340 0.001 0.000 0.274 566 R C -1.492 174.715 176.300 -0.155 0.000 0.987 566 R CA -1.079 54.899 56.100 -0.204 0.000 0.908 566 R CB 2.124 32.244 30.300 -0.300 0.000 1.213 566 R HN 0.153 nan 8.270 nan 0.000 0.468 567 V N 3.072 122.835 119.914 -0.253 0.000 2.407 567 V HA 0.393 4.514 4.120 0.001 0.000 0.291 567 V C -0.904 174.945 176.094 -0.409 0.000 1.018 567 V CA -0.666 61.489 62.300 -0.241 0.000 0.842 567 V CB 1.233 32.845 31.823 -0.352 0.000 0.996 567 V HN 0.519 nan 8.190 nan 0.000 0.426 568 F N 5.534 125.373 119.950 -0.185 0.000 2.411 568 F HA 0.560 5.088 4.527 0.001 0.000 0.355 568 F C 0.093 175.729 175.800 -0.273 0.000 1.117 568 F CA -0.269 57.585 58.000 -0.242 0.000 1.139 568 F CB 1.017 39.904 39.000 -0.189 0.000 1.120 568 F HN 0.238 nan 8.300 nan 0.000 0.493 569 L N 4.571 125.631 121.223 -0.273 0.000 2.322 569 L HA 0.536 4.877 4.340 0.001 0.000 0.281 569 L C -0.859 175.762 176.870 -0.414 0.000 1.014 569 L CA -0.392 54.313 54.840 -0.225 0.000 0.815 569 L CB 1.125 43.063 42.059 -0.203 0.000 1.247 569 L HN 0.395 nan 8.230 nan 0.000 0.421 570 F N 0.544 120.356 119.950 -0.231 0.000 2.546 570 F HA 0.789 5.317 4.527 0.001 0.000 0.320 570 F C 0.600 176.196 175.800 -0.340 0.000 1.076 570 F CA -0.740 56.981 58.000 -0.464 0.000 0.928 570 F CB 2.354 40.720 39.000 -1.057 0.000 1.189 570 F HN 0.372 nan 8.300 nan 0.000 0.465 571 G N 1.066 109.758 108.800 -0.180 0.000 2.739 571 G HA2 0.738 4.699 3.960 0.001 0.000 0.291 571 G HA3 0.738 4.699 3.960 0.001 0.000 0.291 571 G C -1.928 172.862 174.900 -0.183 0.000 1.478 571 G CA -0.808 44.200 45.100 -0.153 0.000 1.062 571 G HN 0.971 nan 8.290 nan 0.000 0.532 572 A N 2.439 125.438 122.820 0.297 0.000 2.572 572 A HA 0.696 5.016 4.320 0.001 0.000 0.303 572 A C -0.851 176.983 177.584 0.417 0.000 1.059 572 A CA -0.813 51.401 52.037 0.295 0.000 0.788 572 A CB 1.216 20.342 19.000 0.210 0.000 1.282 572 A HN 0.591 nan 8.150 nan 0.000 0.397 573 K N 0.892 121.466 120.400 0.290 0.000 2.156 573 K HA 0.778 5.099 4.320 0.001 0.000 0.254 573 K C -0.129 176.633 176.600 0.269 0.000 0.950 573 K CA -0.443 56.014 56.287 0.283 0.000 0.849 573 K CB 2.417 34.947 32.500 0.051 0.000 1.100 573 K HN 0.960 nan 8.250 nan 0.000 0.434 574 A N 1.461 124.485 122.820 0.340 0.000 2.317 574 A HA 0.643 4.963 4.320 0.001 0.000 0.327 574 A C -0.282 177.497 177.584 0.324 0.000 1.178 574 A CA -0.677 51.480 52.037 0.200 0.000 0.817 574 A CB 0.949 19.985 19.000 0.060 0.000 1.189 574 A HN 0.801 nan 8.150 nan 0.000 0.489 575 A N 3.811 126.799 122.820 0.280 0.000 2.555 575 A HA 0.435 4.755 4.320 0.001 0.000 0.233 575 A C -1.089 176.605 177.584 0.183 0.000 1.060 575 A CA -0.490 51.719 52.037 0.287 0.000 0.759 575 A CB -0.255 18.869 19.000 0.206 0.000 0.995 575 A HN 0.637 nan 8.150 nan 0.000 0.506 576 P HA -0.092 nan 4.420 nan 0.000 0.220 576 P C 1.145 178.399 177.300 -0.077 0.000 1.148 576 P CA 1.916 65.000 63.100 -0.027 0.000 0.803 576 P CB 0.043 31.730 31.700 -0.022 0.000 0.782 577 G N -2.514 106.211 108.800 -0.125 0.000 3.189 577 G HA2 -0.091 3.870 3.960 0.001 0.000 0.225 577 G HA3 -0.091 3.870 3.960 0.001 0.000 0.225 577 G C -0.159 174.371 174.900 -0.616 0.000 1.159 577 G CA -0.020 44.846 45.100 -0.390 0.000 0.763 577 G HN 0.139 nan 8.290 nan 0.000 0.549 578 Y N 2.351 122.397 120.300 -0.424 0.000 2.724 578 Y HA 0.381 4.932 4.550 0.001 0.000 0.332 578 Y C 0.655 176.415 175.900 -0.233 0.000 1.276 578 Y CA -2.468 55.442 58.100 -0.318 0.000 1.597 578 Y CB -0.458 37.893 38.460 -0.181 0.000 1.584 578 Y HN 0.235 nan 8.280 nan 0.000 0.478 579 Y N 1.789 122.225 120.300 0.227 0.000 2.224 579 Y HA -0.252 4.299 4.550 0.001 0.000 0.289 579 Y C 2.124 178.062 175.900 0.063 0.000 1.146 579 Y CA 1.225 59.386 58.100 0.102 0.000 1.182 579 Y CB -0.840 37.664 38.460 0.072 0.000 0.983 579 Y HN 0.488 nan 8.280 nan 0.000 0.524 580 L N 0.570 121.945 121.223 0.253 0.000 2.046 580 L HA -0.126 4.215 4.340 0.001 0.000 0.208 580 L C 2.346 179.125 176.870 -0.150 0.000 1.077 580 L CA 1.999 56.897 54.840 0.097 0.000 0.747 580 L CB -1.167 40.995 42.059 0.173 0.000 0.896 580 L HN 0.126 nan 8.230 nan 0.000 0.432 581 A N -0.479 122.034 122.820 -0.513 0.000 1.902 581 A HA -0.240 4.081 4.320 0.001 0.000 0.217 581 A C 2.315 179.750 177.584 -0.248 0.000 1.181 581 A CA 2.012 53.654 52.037 -0.659 0.000 0.623 581 A CB -0.556 17.725 19.000 -1.199 0.000 0.818 581 A HN 0.550 nan 8.150 nan 0.000 0.443 582 K N -0.312 120.021 120.400 -0.111 0.000 2.147 582 K HA -0.138 4.183 4.320 0.001 0.000 0.205 582 K C 1.978 178.610 176.600 0.054 0.000 1.049 582 K CA 1.246 57.533 56.287 0.001 0.000 0.936 582 K CB -0.249 32.278 32.500 0.046 0.000 0.722 582 K HN 0.616 nan 8.250 nan 0.000 0.446 583 N N 1.095 119.839 118.700 0.073 0.000 2.188 583 N HA -0.112 4.628 4.740 0.001 0.000 0.184 583 N C 1.788 177.388 175.510 0.151 0.000 1.018 583 N CA 0.752 53.912 53.050 0.183 0.000 0.858 583 N CB 0.090 38.682 38.487 0.175 0.000 0.989 583 N HN 0.116 nan 8.380 nan 0.000 0.426 584 I N 1.129 121.692 120.570 -0.012 0.000 2.226 584 I HA -0.265 3.905 4.170 0.001 0.000 0.245 584 I C 2.211 178.279 176.117 -0.082 0.000 1.100 584 I CA 0.894 62.134 61.300 -0.101 0.000 1.374 584 I CB -0.182 37.684 38.000 -0.222 0.000 1.057 584 I HN 0.145 nan 8.210 nan 0.000 0.413 585 I N 0.043 120.605 120.570 -0.012 0.000 2.163 585 I HA -0.345 3.826 4.170 0.001 0.000 0.243 585 I C 2.529 178.626 176.117 -0.033 0.000 1.085 585 I CA 1.484 62.794 61.300 0.017 0.000 1.347 585 I CB -0.404 37.602 38.000 0.010 0.000 1.044 585 I HN 0.188 nan 8.210 nan 0.000 0.408 586 F N 1.944 121.827 119.950 -0.112 0.000 2.095 586 F HA -0.259 4.268 4.527 0.001 0.000 0.298 586 F C 2.450 178.227 175.800 -0.038 0.000 1.104 586 F CA 1.361 59.332 58.000 -0.047 0.000 1.232 586 F CB -0.773 38.281 39.000 0.090 0.000 0.987 586 F HN 0.029 nan 8.300 nan 0.000 0.475 587 A N 0.794 123.489 122.820 -0.209 0.000 1.877 587 A HA -0.163 4.157 4.320 0.001 0.000 0.216 587 A C 2.408 179.625 177.584 -0.612 0.000 1.186 587 A CA 1.980 53.539 52.037 -0.796 0.000 0.620 587 A CB -1.253 17.218 19.000 -0.882 0.000 0.822 587 A HN 0.474 nan 8.150 nan 0.000 0.443 588 I N 0.041 120.354 120.570 -0.428 0.000 2.118 588 I HA -0.320 3.851 4.170 0.001 0.000 0.241 588 I C 2.260 178.176 176.117 -0.335 0.000 1.070 588 I CA 1.545 62.588 61.300 -0.428 0.000 1.327 588 I CB -0.538 37.153 38.000 -0.516 0.000 1.034 588 I HN 0.333 nan 8.210 nan 0.000 0.405 589 N N 0.688 119.218 118.700 -0.284 0.000 2.142 589 N HA -0.137 4.604 4.740 0.001 0.000 0.186 589 N C 1.806 177.186 175.510 -0.215 0.000 1.023 589 N CA 1.074 53.970 53.050 -0.257 0.000 0.852 589 N CB -0.166 38.103 38.487 -0.363 0.000 0.998 589 N HN 0.240 nan 8.380 nan 0.000 0.424 590 K N 0.826 121.063 120.400 -0.271 0.000 2.057 590 K HA 0.024 4.345 4.320 0.001 0.000 0.206 590 K C 2.104 178.606 176.600 -0.163 0.000 1.050 590 K CA 0.373 56.545 56.287 -0.191 0.000 0.935 590 K CB -0.784 31.587 32.500 -0.216 0.000 0.715 590 K HN 0.026 nan 8.250 nan 0.000 0.439 591 V N 1.580 121.266 119.914 -0.381 0.000 2.343 591 V HA -0.221 3.900 4.120 0.001 0.000 0.247 591 V C 2.433 178.348 176.094 -0.299 0.000 1.051 591 V CA 1.875 63.851 62.300 -0.540 0.000 1.036 591 V CB -0.773 30.584 31.823 -0.777 0.000 0.654 591 V HN 0.271 nan 8.190 nan 0.000 0.451 592 A N -0.206 122.470 122.820 -0.240 0.000 1.908 592 A HA -0.277 4.044 4.320 0.001 0.000 0.218 592 A C 2.009 179.528 177.584 -0.108 0.000 1.181 592 A CA 2.100 54.042 52.037 -0.158 0.000 0.627 592 A CB -0.668 18.273 19.000 -0.098 0.000 0.818 592 A HN 0.526 nan 8.150 nan 0.000 0.445 593 D N -0.388 119.966 120.400 -0.077 0.000 2.123 593 D HA -0.111 4.530 4.640 0.001 0.000 0.196 593 D C 2.072 178.366 176.300 -0.011 0.000 0.992 593 D CA 1.464 55.447 54.000 -0.029 0.000 0.833 593 D CB -0.318 40.478 40.800 -0.007 0.000 0.954 593 D HN 0.228 nan 8.370 nan 0.000 0.455 594 V N 1.047 120.974 119.914 0.023 0.000 2.270 594 V HA -0.181 3.940 4.120 0.001 0.000 0.245 594 V C 2.553 178.618 176.094 -0.050 0.000 1.043 594 V CA 0.996 63.338 62.300 0.070 0.000 1.014 594 V CB -0.295 31.697 31.823 0.280 0.000 0.645 594 V HN 0.189 nan 8.190 nan 0.000 0.447 595 I N 0.816 121.251 120.570 -0.226 0.000 2.208 595 I HA -0.239 3.932 4.170 0.001 0.000 0.245 595 I C 2.164 178.153 176.117 -0.212 0.000 1.097 595 I CA 1.510 62.538 61.300 -0.452 0.000 1.363 595 I CB -0.563 37.092 38.000 -0.577 0.000 1.051 595 I HN 0.376 nan 8.210 nan 0.000 0.413 596 N N 0.942 119.566 118.700 -0.126 0.000 2.453 596 N HA -0.099 4.642 4.740 0.001 0.000 0.183 596 N C 0.945 176.432 175.510 -0.037 0.000 1.041 596 N CA 0.858 53.867 53.050 -0.069 0.000 0.900 596 N CB -0.281 38.180 38.487 -0.043 0.000 0.961 596 N HN 0.433 nan 8.380 nan 0.000 0.443 597 N N 0.340 119.023 118.700 -0.027 0.000 2.200 597 N HA -0.027 4.714 4.740 0.001 0.000 0.224 597 N C -0.723 174.796 175.510 0.016 0.000 1.179 597 N CA -0.065 52.984 53.050 -0.001 0.000 0.877 597 N CB 0.802 39.292 38.487 0.007 0.000 1.072 597 N HN 0.107 nan 8.380 nan 0.000 0.519 598 D N 2.262 122.673 120.400 0.019 0.000 2.380 598 D HA 0.138 4.779 4.640 0.001 0.000 0.230 598 D C -1.388 174.944 176.300 0.054 0.000 1.154 598 D CA -1.953 52.085 54.000 0.064 0.000 0.859 598 D CB 1.694 42.578 40.800 0.140 0.000 1.045 598 D HN 0.049 nan 8.370 nan 0.000 0.495 599 P HA -0.143 nan 4.420 nan 0.000 0.225 599 P C 1.477 178.802 177.300 0.042 0.000 1.148 599 P CA -0.003 63.117 63.100 0.034 0.000 0.779 599 P CB 0.547 32.263 31.700 0.027 0.000 0.780 600 L N -0.618 120.641 121.223 0.060 0.000 2.376 600 L HA -0.035 4.306 4.340 0.001 0.000 0.219 600 L C 2.224 179.138 176.870 0.074 0.000 1.133 600 L CA 1.224 56.101 54.840 0.062 0.000 0.816 600 L CB -1.092 41.011 42.059 0.073 0.000 0.933 600 L HN -0.137 nan 8.230 nan 0.000 0.449 601 V N -1.527 118.438 119.914 0.084 0.000 2.581 601 V HA 0.349 4.470 4.120 0.001 0.000 0.240 601 V C 1.852 177.969 176.094 0.038 0.000 1.054 601 V CA 0.765 63.110 62.300 0.075 0.000 1.076 601 V CB -0.565 31.299 31.823 0.069 0.000 0.748 601 V HN 0.505 nan 8.190 nan 0.000 0.474 602 G N 0.970 109.785 108.800 0.026 0.000 2.634 602 G HA2 -0.384 3.577 3.960 0.001 0.000 0.309 602 G HA3 -0.384 3.577 3.960 0.001 0.000 0.309 602 G C 0.419 175.326 174.900 0.011 0.000 1.265 602 G CA 0.668 45.777 45.100 0.016 0.000 0.998 602 G HN 0.385 nan 8.290 nan 0.000 0.551 603 D N 0.919 121.327 120.400 0.013 0.000 2.352 603 D HA 0.115 4.756 4.640 0.001 0.000 0.232 603 D C 2.271 178.577 176.300 0.011 0.000 1.055 603 D CA 0.508 54.516 54.000 0.013 0.000 0.891 603 D CB 0.059 40.869 40.800 0.017 0.000 0.897 603 D HN 0.517 nan 8.370 nan 0.000 0.529 604 K N -0.423 119.985 120.400 0.014 0.000 2.155 604 K HA 0.076 4.397 4.320 0.001 0.000 0.203 604 K C 0.649 177.259 176.600 0.016 0.000 1.052 604 K CA 0.604 56.900 56.287 0.015 0.000 0.948 604 K CB 0.970 33.487 32.500 0.028 0.000 0.728 604 K HN 0.084 nan 8.250 nan 0.000 0.448 605 L N 0.866 122.096 121.223 0.012 0.000 2.543 605 L HA 0.308 4.649 4.340 0.001 0.000 0.265 605 L C -1.629 175.236 176.870 -0.008 0.000 0.945 605 L CA -0.697 54.156 54.840 0.021 0.000 0.869 605 L CB 1.823 43.885 42.059 0.004 0.000 1.294 605 L HN -0.127 nan 8.230 nan 0.000 0.405 606 K N 3.140 123.550 120.400 0.018 0.000 2.477 606 K HA 0.688 5.008 4.320 0.001 0.000 0.255 606 K C -1.442 175.183 176.600 0.043 0.000 0.952 606 K CA -0.676 55.606 56.287 -0.008 0.000 0.826 606 K CB 2.966 35.450 32.500 -0.028 0.000 1.331 606 K HN 0.272 nan 8.250 nan 0.000 0.437 607 V N 1.904 121.830 119.914 0.020 0.000 2.447 607 V HA 0.343 4.464 4.120 0.001 0.000 0.292 607 V C -0.716 175.430 176.094 0.086 0.000 1.021 607 V CA -0.936 61.417 62.300 0.087 0.000 0.850 607 V CB 1.895 33.740 31.823 0.038 0.000 1.005 607 V HN 0.412 nan 8.190 nan 0.000 0.426 608 V N 5.616 125.600 119.914 0.116 0.000 2.357 608 V HA 0.453 4.573 4.120 0.001 0.000 0.284 608 V C -0.687 175.570 176.094 0.271 0.000 1.018 608 V CA -0.515 61.865 62.300 0.134 0.000 0.841 608 V CB 1.679 33.530 31.823 0.048 0.000 0.991 608 V HN 0.681 nan 8.190 nan 0.000 0.437 609 F N 6.255 126.288 119.950 0.138 0.000 2.313 609 F HA 0.585 5.113 4.527 0.001 0.000 0.369 609 F C -0.193 175.783 175.800 0.294 0.000 1.109 609 F CA -1.538 56.582 58.000 0.200 0.000 1.132 609 F CB 0.896 39.883 39.000 -0.023 0.000 1.291 609 F HN 0.311 nan 8.300 nan 0.000 0.496 610 L N 8.585 130.176 121.223 0.614 0.000 2.410 610 L HA 0.278 4.619 4.340 0.001 0.000 0.273 610 L C -1.853 175.294 176.870 0.460 0.000 1.144 610 L CA -1.433 53.663 54.840 0.427 0.000 0.863 610 L CB 0.198 42.463 42.059 0.343 0.000 1.140 610 L HN 0.434 nan 8.230 nan 0.000 0.463 611 P HA 0.037 nan 4.420 nan 0.000 0.275 611 P C -0.392 176.908 177.300 0.000 0.000 1.228 611 P CA -0.074 62.935 63.100 -0.152 0.000 0.786 611 P CB 0.880 32.342 31.700 -0.396 0.000 0.927 612 D N -0.048 120.342 120.400 -0.016 0.000 2.767 612 D HA -0.225 4.416 4.640 0.001 0.000 0.239 612 D C -0.745 175.638 176.300 0.138 0.000 1.103 612 D CA 0.456 54.477 54.000 0.035 0.000 0.710 612 D CB -2.082 38.715 40.800 -0.006 0.000 1.084 612 D HN 0.349 nan 8.370 nan 0.000 0.435 613 Y N 0.783 121.141 120.300 0.097 0.000 2.811 613 Y HA 0.259 4.810 4.550 0.001 0.000 0.334 613 Y C 0.910 176.845 175.900 0.059 0.000 1.247 613 Y CA 0.304 58.477 58.100 0.121 0.000 1.526 613 Y CB 0.157 38.709 38.460 0.153 0.000 1.284 613 Y HN 0.460 nan 8.280 nan 0.000 0.586 614 C N 2.857 121.833 119.300 -0.541 0.000 3.284 614 C HA 0.410 4.870 4.460 0.001 0.000 0.348 614 C C 0.937 175.672 174.990 -0.425 0.000 1.448 614 C CA -0.466 58.295 59.018 -0.429 0.000 1.223 614 C CB 0.455 28.088 27.740 -0.178 0.000 1.588 614 C HN 0.631 nan 8.230 nan 0.000 0.451 615 V N 1.485 121.270 119.914 -0.214 0.000 2.343 615 V HA -0.150 3.971 4.120 0.001 0.000 0.247 615 V C 2.661 178.733 176.094 -0.037 0.000 1.051 615 V CA 2.992 65.264 62.300 -0.047 0.000 1.036 615 V CB -0.926 30.884 31.823 -0.022 0.000 0.654 615 V HN 0.952 nan 8.190 nan 0.000 0.451 616 S N 0.084 115.739 115.700 -0.074 0.000 2.370 616 S HA -0.193 4.278 4.470 0.001 0.000 0.226 616 S C 2.215 176.767 174.600 -0.081 0.000 1.033 616 S CA 1.494 59.653 58.200 -0.067 0.000 1.011 616 S CB -0.478 62.701 63.200 -0.035 0.000 0.852 616 S HN 0.668 nan 8.310 nan 0.000 0.457 617 A N 1.590 124.401 122.820 -0.016 0.000 1.873 617 A HA 0.127 4.448 4.320 0.001 0.000 0.215 617 A C 2.383 180.027 177.584 0.099 0.000 1.186 617 A CA 1.685 53.758 52.037 0.060 0.000 0.616 617 A CB -1.184 17.998 19.000 0.303 0.000 0.823 617 A HN 0.515 nan 8.150 nan 0.000 0.442 618 A N -0.050 122.859 122.820 0.148 0.000 1.948 618 A HA -0.238 4.083 4.320 0.001 0.000 0.220 618 A C 1.873 179.636 177.584 0.298 0.000 1.177 618 A CA 1.823 54.045 52.037 0.309 0.000 0.636 618 A CB -0.617 18.562 19.000 0.299 0.000 0.815 618 A HN 0.662 nan 8.150 nan 0.000 0.449 619 E N -0.590 119.731 120.200 0.202 0.000 2.268 619 E HA -0.143 4.208 4.350 0.001 0.000 0.195 619 E C 1.777 178.381 176.600 0.006 0.000 0.995 619 E CA 0.948 57.414 56.400 0.110 0.000 0.836 619 E CB -0.003 29.652 29.700 -0.075 0.000 0.763 619 E HN 0.504 nan 8.360 nan 0.000 0.491 620 K N 0.134 120.471 120.400 -0.105 0.000 2.202 620 K HA 0.043 4.363 4.320 0.001 0.000 0.201 620 K C 2.164 178.746 176.600 -0.030 0.000 1.051 620 K CA 0.347 56.525 56.287 -0.182 0.000 0.977 620 K CB 0.111 32.242 32.500 -0.614 0.000 0.792 620 K HN 0.137 nan 8.250 nan 0.000 0.469 621 L N 0.802 122.052 121.223 0.045 0.000 2.072 621 L HA -0.059 4.282 4.340 0.001 0.000 0.205 621 L C 2.395 179.330 176.870 0.108 0.000 1.079 621 L CA 0.894 55.800 54.840 0.109 0.000 0.752 621 L CB -0.357 41.790 42.059 0.147 0.000 0.906 621 L HN 0.023 nan 8.230 nan 0.000 0.436 622 I N -0.118 120.524 120.570 0.120 0.000 2.226 622 I HA -0.198 3.973 4.170 0.001 0.000 0.245 622 I C -0.453 175.717 176.117 0.088 0.000 1.100 622 I CA 1.361 62.721 61.300 0.101 0.000 1.374 622 I CB -1.119 36.954 38.000 0.121 0.000 1.057 622 I HN 0.191 nan 8.210 nan 0.000 0.413 623 P HA -0.095 nan 4.420 nan 0.000 0.226 623 P C 0.868 178.190 177.300 0.037 0.000 1.153 623 P CA 1.140 64.266 63.100 0.043 0.000 0.777 623 P CB 0.067 31.782 31.700 0.024 0.000 0.794 624 A N -1.125 121.744 122.820 0.081 0.000 2.308 624 A HA 0.491 4.811 4.320 0.001 0.000 0.217 624 A C 1.137 178.811 177.584 0.151 0.000 1.216 624 A CA 0.018 52.122 52.037 0.112 0.000 0.864 624 A CB -0.664 18.469 19.000 0.223 0.000 0.902 624 A HN 0.182 nan 8.150 nan 0.000 0.499 625 A N 0.026 122.923 122.820 0.130 0.000 2.425 625 A HA 0.423 4.744 4.320 0.001 0.000 0.249 625 A C 0.457 178.134 177.584 0.154 0.000 1.084 625 A CA 0.023 52.144 52.037 0.139 0.000 0.781 625 A CB 0.278 19.329 19.000 0.086 0.000 1.019 625 A HN 0.301 nan 8.150 nan 0.000 0.490 626 D N 0.375 120.878 120.400 0.172 0.000 2.369 626 D HA 0.122 4.763 4.640 0.001 0.000 0.231 626 D C 0.120 176.628 176.300 0.347 0.000 0.967 626 D CA 0.938 55.118 54.000 0.301 0.000 0.905 626 D CB 0.186 41.064 40.800 0.130 0.000 1.044 626 D HN 0.348 nan 8.370 nan 0.000 0.487 627 I N 1.249 121.916 120.570 0.163 0.000 2.378 627 I HA 0.138 4.309 4.170 0.001 0.000 0.291 627 I C 0.071 176.214 176.117 0.044 0.000 0.992 627 I CA -0.608 60.761 61.300 0.115 0.000 1.154 627 I CB 1.459 39.460 38.000 0.002 0.000 1.315 627 I HN -0.218 nan 8.210 nan 0.000 0.448 628 S N 6.880 122.614 115.700 0.056 0.000 2.422 628 S HA 0.315 4.786 4.470 0.001 0.000 0.308 628 S C -0.170 174.446 174.600 0.027 0.000 1.097 628 S CA -0.602 57.607 58.200 0.015 0.000 1.099 628 S CB 0.440 63.643 63.200 0.006 0.000 0.976 628 S HN 0.420 nan 8.310 nan 0.000 0.471 629 E N 4.056 124.254 120.200 -0.003 0.000 2.129 629 E HA 0.190 4.541 4.350 0.001 0.000 0.283 629 E C -0.419 176.186 176.600 0.007 0.000 1.080 629 E CA -0.224 56.194 56.400 0.029 0.000 0.867 629 E CB 0.884 30.578 29.700 -0.010 0.000 1.056 629 E HN 0.631 nan 8.360 nan 0.000 0.404 630 Q N 2.880 122.710 119.800 0.049 0.000 3.122 630 Q HA 0.249 4.589 4.340 0.001 0.000 0.282 630 Q C 0.624 176.641 176.000 0.029 0.000 0.947 630 Q CA -0.103 55.706 55.803 0.010 0.000 0.812 630 Q CB 0.282 29.015 28.738 -0.007 0.000 1.333 630 Q HN 0.613 nan 8.270 nan 0.000 0.430 631 I N -1.701 118.876 120.570 0.013 0.000 3.816 631 I HA 0.262 4.432 4.170 0.001 0.000 0.334 631 I C 0.520 176.620 176.117 -0.029 0.000 1.551 631 I CA -0.600 60.713 61.300 0.021 0.000 1.153 631 I CB 0.351 38.326 38.000 -0.041 0.000 1.197 631 I HN 0.016 nan 8.210 nan 0.000 0.439 632 S N 0.535 116.223 115.700 -0.021 0.000 2.573 632 S HA 0.164 4.635 4.470 0.001 0.000 0.277 632 S C 0.558 175.177 174.600 0.030 0.000 1.346 632 S CA -0.236 57.985 58.200 0.034 0.000 1.034 632 S CB 0.384 63.664 63.200 0.133 0.000 0.879 632 S HN 0.379 nan 8.310 nan 0.000 0.528 633 T N 2.881 117.494 114.554 0.099 0.000 2.871 633 T HA 0.356 4.707 4.350 0.001 0.000 0.296 633 T C 0.730 175.450 174.700 0.034 0.000 0.998 633 T CA 0.353 62.503 62.100 0.084 0.000 1.162 633 T CB -0.190 68.810 68.868 0.219 0.000 0.947 633 T HN 1.006 nan 8.240 nan 0.000 0.536 634 A N 3.003 125.806 122.820 -0.028 0.000 2.566 634 A HA 0.473 4.794 4.320 0.001 0.000 0.245 634 A C 1.639 179.204 177.584 -0.032 0.000 1.056 634 A CA 0.286 52.296 52.037 -0.045 0.000 0.757 634 A CB -0.753 18.209 19.000 -0.064 0.000 0.979 634 A HN 1.587 nan 8.150 nan 0.000 0.508 635 G N 1.989 110.769 108.800 -0.033 0.000 2.213 635 G HA2 -0.195 3.766 3.960 0.001 0.000 0.226 635 G HA3 -0.195 3.766 3.960 0.001 0.000 0.226 635 G C 0.908 175.771 174.900 -0.061 0.000 0.992 635 G CA 0.519 45.597 45.100 -0.038 0.000 0.632 635 G HN 0.651 nan 8.290 nan 0.000 0.511 636 K N 0.215 120.564 120.400 -0.084 0.000 2.335 636 K HA 0.226 4.547 4.320 0.001 0.000 0.195 636 K C 0.713 177.052 176.600 -0.436 0.000 1.058 636 K CA 0.388 56.518 56.287 -0.261 0.000 0.988 636 K CB 0.445 32.810 32.500 -0.226 0.000 0.880 636 K HN 0.424 nan 8.250 nan 0.000 0.513 637 E N 1.189 121.308 120.200 -0.135 0.000 2.105 637 E HA 0.285 4.636 4.350 0.001 0.000 0.285 637 E C 0.600 177.129 176.600 -0.119 0.000 1.055 637 E CA -0.128 56.258 56.400 -0.024 0.000 0.843 637 E CB 1.221 30.988 29.700 0.112 0.000 1.067 637 E HN 0.144 nan 8.360 nan 0.000 0.398 638 A N 3.452 126.129 122.820 -0.238 0.000 1.877 638 A HA -0.127 4.193 4.320 0.001 0.000 0.216 638 A C 1.914 179.356 177.584 -0.237 0.000 1.186 638 A CA 1.974 53.726 52.037 -0.476 0.000 0.620 638 A CB -0.213 18.241 19.000 -0.911 0.000 0.822 638 A HN 0.617 nan 8.150 nan 0.000 0.443 639 S N -3.778 111.849 115.700 -0.122 0.000 4.193 639 S HA 0.457 4.928 4.470 0.001 0.000 0.211 639 S C 0.650 175.233 174.600 -0.030 0.000 1.162 639 S CA 1.453 59.629 58.200 -0.039 0.000 1.039 639 S CB -0.086 63.117 63.200 0.004 0.000 1.371 639 S HN 2.259 nan 8.310 nan 0.000 0.550 640 G N 0.223 109.008 108.800 -0.026 0.000 2.719 640 G HA2 0.018 3.979 3.960 0.001 0.000 0.686 640 G HA3 0.018 3.979 3.960 0.001 0.000 0.686 640 G C 0.220 175.083 174.900 -0.061 0.000 1.201 640 G CA 0.448 45.523 45.100 -0.041 0.000 0.768 640 G HN 1.389 nan 8.290 nan 0.000 0.629 641 T N -2.127 112.372 114.554 -0.092 0.000 3.051 641 T HA 0.368 4.719 4.350 0.001 0.000 0.254 641 T C 2.411 176.989 174.700 -0.203 0.000 0.916 641 T CA 1.293 63.317 62.100 -0.127 0.000 0.894 641 T CB 0.202 69.000 68.868 -0.117 0.000 1.251 641 T HN 1.951 nan 8.240 nan 0.000 0.517 642 G N 3.450 112.135 108.800 -0.192 0.000 2.469 642 G HA2 -0.319 3.642 3.960 0.001 0.000 0.220 642 G HA3 -0.319 3.642 3.960 0.001 0.000 0.220 642 G C 1.549 176.338 174.900 -0.186 0.000 1.136 642 G CA 1.454 46.424 45.100 -0.217 0.000 0.759 642 G HN 0.702 nan 8.290 nan 0.000 0.562 643 N N 0.942 119.546 118.700 -0.161 0.000 2.094 643 N HA -0.170 4.571 4.740 0.001 0.000 0.191 643 N C 2.009 177.392 175.510 -0.211 0.000 1.023 643 N CA 1.949 54.901 53.050 -0.163 0.000 0.857 643 N CB -0.701 37.690 38.487 -0.160 0.000 1.013 643 N HN 0.421 nan 8.380 nan 0.000 0.426 644 M N 0.279 119.724 119.600 -0.257 0.000 2.123 644 M HA 0.009 4.490 4.480 0.001 0.000 0.263 644 M C 2.091 178.299 176.300 -0.155 0.000 1.069 644 M CA 1.480 56.614 55.300 -0.277 0.000 1.133 644 M CB -0.156 32.307 32.600 -0.229 0.000 1.356 644 M HN 0.069 nan 8.290 nan 0.000 0.415 645 K N 0.543 120.827 120.400 -0.194 0.000 2.032 645 K HA -0.127 4.194 4.320 0.001 0.000 0.209 645 K C 1.860 178.416 176.600 -0.073 0.000 1.048 645 K CA 1.297 57.485 56.287 -0.165 0.000 0.927 645 K CB -0.441 31.812 32.500 -0.411 0.000 0.712 645 K HN 0.252 nan 8.250 nan 0.000 0.441 646 L N 0.549 121.716 121.223 -0.093 0.000 2.046 646 L HA -0.196 4.144 4.340 0.001 0.000 0.208 646 L C 2.582 179.443 176.870 -0.015 0.000 1.077 646 L CA 1.199 56.016 54.840 -0.039 0.000 0.747 646 L CB -0.512 41.519 42.059 -0.046 0.000 0.896 646 L HN 0.241 nan 8.230 nan 0.000 0.432 647 A N -0.115 122.676 122.820 -0.047 0.000 1.877 647 A HA -0.159 4.162 4.320 0.001 0.000 0.216 647 A C 2.231 179.826 177.584 0.017 0.000 1.186 647 A CA 1.383 53.402 52.037 -0.031 0.000 0.620 647 A CB -0.724 18.221 19.000 -0.092 0.000 0.822 647 A HN 0.351 nan 8.150 nan 0.000 0.443 648 L N -0.171 121.068 121.223 0.027 0.000 2.191 648 L HA -0.136 4.205 4.340 0.001 0.000 0.212 648 L C 1.549 178.460 176.870 0.068 0.000 1.103 648 L CA 0.896 55.775 54.840 0.065 0.000 0.769 648 L CB -0.352 41.761 42.059 0.089 0.000 0.908 648 L HN 0.406 nan 8.230 nan 0.000 0.438 649 N N -0.106 118.628 118.700 0.057 0.000 2.322 649 N HA 0.049 4.789 4.740 0.001 0.000 0.194 649 N C 1.070 176.608 175.510 0.046 0.000 1.126 649 N CA 0.922 53.995 53.050 0.039 0.000 0.845 649 N CB 0.916 39.430 38.487 0.044 0.000 0.976 649 N HN 0.401 nan 8.380 nan 0.000 0.475 650 G N 0.148 109.016 108.800 0.112 0.000 2.134 650 G HA2 -0.191 3.770 3.960 0.001 0.000 0.209 650 G HA3 -0.191 3.770 3.960 0.001 0.000 0.209 650 G C 0.066 175.056 174.900 0.150 0.000 0.993 650 G CA 0.053 45.268 45.100 0.192 0.000 0.669 650 G HN 0.518 nan 8.290 nan 0.000 0.519 651 A N -0.064 122.816 122.820 0.099 0.000 2.293 651 A HA 0.841 5.162 4.320 0.001 0.000 0.302 651 A C 0.491 178.098 177.584 0.039 0.000 1.119 651 A CA -0.448 51.659 52.037 0.116 0.000 0.823 651 A CB 0.700 19.759 19.000 0.099 0.000 1.097 651 A HN 0.771 nan 8.150 nan 0.000 0.491 652 L N 1.213 122.450 121.223 0.023 0.000 2.334 652 L HA 0.376 4.716 4.340 0.001 0.000 0.277 652 L C 0.270 177.207 176.870 0.111 0.000 1.075 652 L CA -0.379 54.442 54.840 -0.032 0.000 0.804 652 L CB 1.443 43.389 42.059 -0.190 0.000 1.174 652 L HN 0.665 nan 8.230 nan 0.000 0.438 653 T N 2.018 116.635 114.554 0.105 0.000 2.799 653 T HA 0.353 4.703 4.350 0.001 0.000 0.286 653 T C -0.111 174.747 174.700 0.264 0.000 0.973 653 T CA -0.356 61.822 62.100 0.130 0.000 1.035 653 T CB 1.603 70.501 68.868 0.051 0.000 0.932 653 T HN 0.208 nan 8.240 nan 0.000 0.469 654 V N 3.542 123.601 119.914 0.242 0.000 2.311 654 V HA 0.753 4.873 4.120 0.001 0.000 0.275 654 V C 0.623 176.944 176.094 0.378 0.000 1.022 654 V CA -0.284 62.206 62.300 0.317 0.000 0.830 654 V CB 0.859 32.787 31.823 0.175 0.000 1.012 654 V HN 1.072 nan 8.190 nan 0.000 0.452 655 G N 2.881 111.928 108.800 0.412 0.000 2.684 655 G HA2 0.694 4.654 3.960 0.001 0.000 0.290 655 G HA3 0.694 4.654 3.960 0.001 0.000 0.290 655 G C -0.466 174.338 174.900 -0.160 0.000 1.425 655 G CA -0.237 44.995 45.100 0.220 0.000 0.822 655 G HN 0.605 nan 8.290 nan 0.000 0.482 656 T N -1.402 112.934 114.554 -0.364 0.000 2.881 656 T HA 0.527 4.878 4.350 0.001 0.000 0.278 656 T C 0.559 175.118 174.700 -0.235 0.000 0.982 656 T CA -0.712 61.077 62.100 -0.519 0.000 0.989 656 T CB 1.368 69.958 68.868 -0.463 0.000 1.058 656 T HN 0.336 nan 8.240 nan 0.000 0.529 657 L N 1.975 123.079 121.223 -0.199 0.000 2.391 657 L HA 0.321 4.661 4.340 0.001 0.000 0.249 657 L C -0.248 176.574 176.870 -0.080 0.000 1.308 657 L CA 0.149 54.925 54.840 -0.107 0.000 1.209 657 L CB -0.846 41.162 42.059 -0.086 0.000 1.401 657 L HN 0.743 nan 8.230 nan 0.000 0.416 658 D N 0.438 120.797 120.400 -0.069 0.000 2.661 658 D HA 0.572 5.213 4.640 0.001 0.000 0.228 658 D C 0.449 176.732 176.300 -0.028 0.000 1.210 658 D CA 0.752 54.725 54.000 -0.045 0.000 0.826 658 D CB 2.075 42.845 40.800 -0.050 0.000 1.542 658 D HN 0.358 nan 8.370 nan 0.000 0.447 659 G N 1.536 110.330 108.800 -0.011 0.000 2.614 659 G HA2 -0.203 3.758 3.960 0.001 0.000 0.303 659 G HA3 -0.203 3.758 3.960 0.001 0.000 0.303 659 G C 0.983 175.888 174.900 0.009 0.000 1.270 659 G CA 1.121 46.218 45.100 -0.004 0.000 0.988 659 G HN 1.169 nan 8.290 nan 0.000 0.551 660 A N -0.343 122.474 122.820 -0.004 0.000 2.208 660 A HA 0.192 4.513 4.320 0.001 0.000 0.209 660 A C 2.048 179.602 177.584 -0.051 0.000 1.161 660 A CA 1.604 53.644 52.037 0.006 0.000 0.782 660 A CB -0.370 18.625 19.000 -0.008 0.000 0.816 660 A HN 0.602 nan 8.150 nan 0.000 0.477 661 N N 0.481 119.143 118.700 -0.064 0.000 2.137 661 N HA -0.181 4.560 4.740 0.001 0.000 0.190 661 N C 1.840 177.329 175.510 -0.035 0.000 1.017 661 N CA 1.715 54.724 53.050 -0.069 0.000 0.859 661 N CB -0.604 37.847 38.487 -0.059 0.000 1.002 661 N HN 0.529 nan 8.380 nan 0.000 0.428 662 V N -0.205 119.703 119.914 -0.010 0.000 2.379 662 V HA -0.103 4.018 4.120 0.001 0.000 0.245 662 V C 1.729 177.851 176.094 0.047 0.000 1.044 662 V CA 1.568 63.873 62.300 0.007 0.000 1.036 662 V CB -0.429 31.397 31.823 0.005 0.000 0.664 662 V HN 0.151 nan 8.190 nan 0.000 0.453 663 E N 0.235 120.493 120.200 0.097 0.000 2.150 663 E HA -0.089 4.262 4.350 0.001 0.000 0.193 663 E C 2.119 178.898 176.600 0.298 0.000 0.985 663 E CA 1.784 58.306 56.400 0.203 0.000 0.814 663 E CB -0.239 29.647 29.700 0.310 0.000 0.752 663 E HN 0.704 nan 8.360 nan 0.000 0.466 664 I N 0.843 121.503 120.570 0.150 0.000 2.202 664 I HA -0.249 3.922 4.170 0.001 0.000 0.242 664 I C 2.497 178.649 176.117 0.057 0.000 1.091 664 I CA 0.828 62.158 61.300 0.050 0.000 1.368 664 I CB -0.269 37.592 38.000 -0.231 0.000 1.058 664 I HN 0.095 nan 8.210 nan 0.000 0.410 665 A N 0.419 123.248 122.820 0.015 0.000 1.873 665 A HA -0.321 4.000 4.320 0.001 0.000 0.218 665 A C 2.311 179.902 177.584 0.011 0.000 1.193 665 A CA 2.247 54.283 52.037 -0.001 0.000 0.629 665 A CB -0.844 18.147 19.000 -0.015 0.000 0.826 665 A HN 0.524 nan 8.150 nan 0.000 0.447 666 E N -0.625 119.594 120.200 0.032 0.000 2.130 666 E HA -0.253 4.097 4.350 0.001 0.000 0.196 666 E C 1.804 178.423 176.600 0.031 0.000 0.998 666 E CA 1.454 57.870 56.400 0.027 0.000 0.806 666 E CB -0.030 29.691 29.700 0.034 0.000 0.738 666 E HN 0.394 nan 8.360 nan 0.000 0.459 667 K N 0.113 120.556 120.400 0.073 0.000 2.076 667 K HA -0.061 4.259 4.320 0.001 0.000 0.204 667 K C 2.256 178.878 176.600 0.038 0.000 1.051 667 K CA 1.245 57.572 56.287 0.067 0.000 0.949 667 K CB -0.136 32.449 32.500 0.142 0.000 0.726 667 K HN 0.292 nan 8.250 nan 0.000 0.443 668 V N -2.334 117.599 119.914 0.032 0.000 3.235 668 V HA 0.279 4.400 4.120 0.001 0.000 0.259 668 V C 0.732 176.799 176.094 -0.044 0.000 1.133 668 V CA 0.586 62.881 62.300 -0.009 0.000 1.128 668 V CB -0.713 31.093 31.823 -0.028 0.000 0.757 668 V HN 0.323 nan 8.190 nan 0.000 0.469 669 G N 1.528 110.304 108.800 -0.041 0.000 2.788 669 G HA2 -0.133 3.828 3.960 0.001 0.000 0.686 669 G HA3 -0.133 3.828 3.960 0.001 0.000 0.686 669 G C 0.097 174.947 174.900 -0.083 0.000 1.147 669 G CA 0.054 45.119 45.100 -0.058 0.000 0.755 669 G HN 0.757 nan 8.290 nan 0.000 0.634 670 E N 0.453 120.608 120.200 -0.076 0.000 2.204 670 E HA -0.176 4.175 4.350 0.001 0.000 0.195 670 E C 1.730 178.247 176.600 -0.138 0.000 0.990 670 E CA 1.499 57.845 56.400 -0.090 0.000 0.821 670 E CB -0.088 29.576 29.700 -0.061 0.000 0.750 670 E HN 0.668 nan 8.360 nan 0.000 0.477 671 E N 1.048 121.168 120.200 -0.134 0.000 2.478 671 E HA -0.073 4.278 4.350 0.001 0.000 0.198 671 E C 0.484 176.932 176.600 -0.252 0.000 1.046 671 E CA 0.368 56.667 56.400 -0.167 0.000 0.870 671 E CB -0.210 29.420 29.700 -0.117 0.000 0.818 671 E HN 0.308 nan 8.360 nan 0.000 0.527 672 N N 0.502 119.052 118.700 -0.250 0.000 2.351 672 N HA 0.309 5.049 4.740 0.001 0.000 0.254 672 N C -0.475 174.828 175.510 -0.346 0.000 1.241 672 N CA -0.038 52.834 53.050 -0.297 0.000 0.883 672 N CB 1.486 39.852 38.487 -0.201 0.000 1.202 672 N HN 0.197 nan 8.380 nan 0.000 0.512 673 I N -0.594 119.721 120.570 -0.425 0.000 2.908 673 I HA 0.343 4.514 4.170 0.001 0.000 0.300 673 I C -1.535 174.326 176.117 -0.427 0.000 1.385 673 I CA -0.763 60.328 61.300 -0.347 0.000 1.004 673 I CB 1.834 39.749 38.000 -0.142 0.000 1.309 673 I HN -0.241 nan 8.210 nan 0.000 0.449 674 F N 7.414 127.374 119.950 0.016 0.000 2.300 674 F HA 0.432 4.960 4.527 0.001 0.000 0.364 674 F C 0.033 175.918 175.800 0.141 0.000 1.090 674 F CA -0.547 57.492 58.000 0.065 0.000 1.200 674 F CB 0.439 39.477 39.000 0.064 0.000 1.493 674 F HN 0.043 nan 8.300 nan 0.000 0.518 675 I N 3.935 124.630 120.570 0.208 0.000 2.428 675 I HA 0.327 4.498 4.170 0.001 0.000 0.289 675 I C -0.081 176.177 176.117 0.234 0.000 1.019 675 I CA -0.555 60.842 61.300 0.162 0.000 1.351 675 I CB 0.693 38.715 38.000 0.036 0.000 1.412 675 I HN 0.388 nan 8.210 nan 0.000 0.513 676 F N 2.813 122.792 119.950 0.048 0.000 2.711 676 F HA 0.854 5.381 4.527 0.001 0.000 0.313 676 F C 0.007 175.805 175.800 -0.003 0.000 1.141 676 F CA -0.445 57.574 58.000 0.031 0.000 0.941 676 F CB 1.074 40.114 39.000 0.067 0.000 1.349 676 F HN 0.792 nan 8.300 nan 0.000 0.464 677 G N 0.493 109.294 108.800 0.002 0.000 2.760 677 G HA2 -0.041 3.919 3.960 0.001 0.000 0.246 677 G HA3 -0.041 3.919 3.960 0.001 0.000 0.246 677 G C -1.327 173.438 174.900 -0.226 0.000 1.359 677 G CA -0.564 44.459 45.100 -0.129 0.000 0.861 677 G HN 1.195 nan 8.290 nan 0.000 0.541 678 H N 0.914 119.939 119.070 -0.075 0.000 2.764 678 H HA 0.394 4.950 4.556 0.001 0.000 0.341 678 H C 1.434 176.702 175.328 -0.100 0.000 1.072 678 H CA 0.802 56.809 56.048 -0.069 0.000 1.444 678 H CB 0.649 30.359 29.762 -0.085 0.000 1.458 678 H HN 0.906 nan 8.280 nan 0.000 0.572 679 T N -1.337 113.240 114.554 0.038 0.000 2.726 679 T HA 0.072 4.422 4.350 0.001 0.000 0.294 679 T C 1.802 176.497 174.700 -0.008 0.000 1.013 679 T CA -0.758 61.338 62.100 -0.008 0.000 0.996 679 T CB 0.506 69.371 68.868 -0.005 0.000 1.016 679 T HN 0.277 nan 8.240 nan 0.000 0.529 680 V N 1.420 121.317 119.914 -0.027 0.000 2.332 680 V HA -0.145 3.976 4.120 0.001 0.000 0.248 680 V C 2.763 178.835 176.094 -0.036 0.000 1.055 680 V CA 2.184 64.463 62.300 -0.036 0.000 1.038 680 V CB -1.218 30.583 31.823 -0.036 0.000 0.651 680 V HN 0.866 nan 8.190 nan 0.000 0.450 681 E N 0.097 120.282 120.200 -0.024 0.000 2.110 681 E HA -0.219 4.131 4.350 0.001 0.000 0.193 681 E C 2.286 178.876 176.600 -0.017 0.000 0.988 681 E CA 1.204 57.592 56.400 -0.021 0.000 0.804 681 E CB -0.313 29.381 29.700 -0.011 0.000 0.745 681 E HN 0.677 nan 8.360 nan 0.000 0.458 682 Q N -0.058 119.745 119.800 0.005 0.000 2.119 682 Q HA -0.075 4.266 4.340 0.001 0.000 0.201 682 Q C 2.217 178.173 176.000 -0.074 0.000 0.972 682 Q CA 1.165 56.981 55.803 0.022 0.000 0.847 682 Q CB 0.037 28.863 28.738 0.147 0.000 0.903 682 Q HN 0.167 nan 8.270 nan 0.000 0.433 683 V N 1.329 121.184 119.914 -0.098 0.000 2.358 683 V HA -0.256 3.865 4.120 0.001 0.000 0.246 683 V C 1.983 177.978 176.094 -0.165 0.000 1.047 683 V CA 1.766 63.951 62.300 -0.192 0.000 1.035 683 V CB -0.375 31.359 31.823 -0.150 0.000 0.658 683 V HN 0.280 nan 8.190 nan 0.000 0.452 684 K N 0.246 120.584 120.400 -0.104 0.000 2.097 684 K HA -0.094 4.226 4.320 0.001 0.000 0.206 684 K C 2.318 178.874 176.600 -0.074 0.000 1.049 684 K CA 1.397 57.633 56.287 -0.086 0.000 0.933 684 K CB -0.406 32.056 32.500 -0.064 0.000 0.717 684 K HN 0.472 nan 8.250 nan 0.000 0.442 685 A N 1.455 124.239 122.820 -0.060 0.000 1.877 685 A HA -0.161 4.159 4.320 0.001 0.000 0.216 685 A C 2.136 179.697 177.584 -0.038 0.000 1.186 685 A CA 1.327 53.344 52.037 -0.034 0.000 0.620 685 A CB -0.599 18.395 19.000 -0.009 0.000 0.822 685 A HN 0.172 nan 8.150 nan 0.000 0.443 686 I N -0.364 120.152 120.570 -0.090 0.000 2.163 686 I HA -0.268 3.903 4.170 0.001 0.000 0.243 686 I C 2.359 178.439 176.117 -0.061 0.000 1.085 686 I CA 1.212 62.456 61.300 -0.093 0.000 1.347 686 I CB -0.233 37.589 38.000 -0.297 0.000 1.044 686 I HN 0.300 nan 8.210 nan 0.000 0.408 687 L N 0.085 121.235 121.223 -0.122 0.000 2.141 687 L HA -0.169 4.172 4.340 0.001 0.000 0.209 687 L C 2.671 179.536 176.870 -0.009 0.000 1.094 687 L CA 1.126 55.929 54.840 -0.061 0.000 0.763 687 L CB -0.568 41.427 42.059 -0.106 0.000 0.908 687 L HN 0.246 nan 8.230 nan 0.000 0.437 688 A N -0.400 122.408 122.820 -0.020 0.000 1.970 688 A HA -0.162 4.159 4.320 0.001 0.000 0.216 688 A C 2.338 179.931 177.584 0.014 0.000 1.170 688 A CA 1.031 53.063 52.037 -0.008 0.000 0.645 688 A CB -0.254 18.736 19.000 -0.017 0.000 0.816 688 A HN 0.242 nan 8.150 nan 0.000 0.447 689 K N -0.250 120.166 120.400 0.028 0.000 2.432 689 K HA 0.111 4.432 4.320 0.001 0.000 0.196 689 K C 0.354 176.994 176.600 0.067 0.000 1.038 689 K CA 0.808 57.123 56.287 0.046 0.000 0.986 689 K CB -0.359 32.176 32.500 0.059 0.000 0.782 689 K HN 0.816 nan 8.250 nan 0.000 0.485 690 G N 1.665 110.513 108.800 0.080 0.000 2.780 690 G HA2 -0.251 3.709 3.960 0.001 0.000 0.364 690 G HA3 -0.251 3.709 3.960 0.001 0.000 0.364 690 G C -1.133 173.873 174.900 0.176 0.000 1.045 690 G CA -0.372 44.789 45.100 0.100 0.000 1.202 690 G HN 0.295 nan 8.290 nan 0.000 0.534 691 Y N 2.503 122.818 120.300 0.026 0.000 2.436 691 Y HA 0.529 5.080 4.550 0.001 0.000 0.336 691 Y C 0.049 175.988 175.900 0.065 0.000 1.049 691 Y CA -1.042 57.084 58.100 0.043 0.000 1.294 691 Y CB 1.538 39.975 38.460 -0.038 0.000 1.179 691 Y HN 0.421 nan 8.280 nan 0.000 0.520 692 D N 9.417 129.733 120.400 -0.139 0.000 2.462 692 D HA 0.276 4.917 4.640 0.001 0.000 0.249 692 D C -1.978 174.112 176.300 -0.349 0.000 1.117 692 D CA -2.489 51.376 54.000 -0.225 0.000 0.900 692 D CB 1.444 42.235 40.800 -0.014 0.000 1.039 692 D HN 0.333 nan 8.370 nan 0.000 0.516 693 P HA -0.159 nan 4.420 nan 0.000 0.218 693 P C 1.523 178.787 177.300 -0.060 0.000 1.148 693 P CA 0.538 63.340 63.100 -0.496 0.000 0.822 693 P CB 0.524 31.974 31.700 -0.417 0.000 0.784 694 V N 0.921 120.803 119.914 -0.053 0.000 2.407 694 V HA -0.211 3.910 4.120 0.001 0.000 0.248 694 V C 2.822 178.951 176.094 0.058 0.000 1.055 694 V CA 1.889 64.197 62.300 0.013 0.000 1.049 694 V CB -1.284 30.539 31.823 0.000 0.000 0.662 694 V HN 0.137 nan 8.190 nan 0.000 0.455 695 K N -1.044 119.398 120.400 0.071 0.000 2.057 695 K HA -0.224 4.097 4.320 0.001 0.000 0.207 695 K C 1.965 178.613 176.600 0.080 0.000 1.049 695 K CA 2.029 58.350 56.287 0.056 0.000 0.931 695 K CB -0.232 32.287 32.500 0.032 0.000 0.714 695 K HN 0.525 nan 8.250 nan 0.000 0.440 696 W N 1.140 122.445 121.300 0.008 0.000 2.381 696 W HA -0.052 4.609 4.660 0.001 0.000 0.301 696 W C 2.406 178.951 176.519 0.043 0.000 1.205 696 W CA 1.262 58.647 57.345 0.067 0.000 1.285 696 W CB -0.404 29.137 29.460 0.135 0.000 1.133 696 W HN 0.137 nan 8.180 nan 0.000 0.521 697 R N 1.014 121.660 120.500 0.244 0.000 2.103 697 R HA -0.209 4.132 4.340 0.001 0.000 0.234 697 R C 2.092 178.435 176.300 0.071 0.000 1.132 697 R CA 1.829 57.995 56.100 0.110 0.000 0.925 697 R CB -0.470 29.861 30.300 0.051 0.000 0.842 697 R HN -0.100 nan 8.270 nan 0.000 0.430 698 K N 0.604 121.036 120.400 0.054 0.000 2.152 698 K HA -0.112 4.209 4.320 0.001 0.000 0.206 698 K C 1.861 178.475 176.600 0.024 0.000 1.048 698 K CA 1.095 57.398 56.287 0.028 0.000 0.933 698 K CB -0.079 32.431 32.500 0.016 0.000 0.721 698 K HN 0.190 nan 8.250 nan 0.000 0.447 699 K N 0.941 121.356 120.400 0.025 0.000 2.432 699 K HA -0.019 4.302 4.320 0.001 0.000 0.196 699 K C 0.265 176.892 176.600 0.046 0.000 1.038 699 K CA 0.277 56.569 56.287 0.008 0.000 0.986 699 K CB 0.053 32.522 32.500 -0.051 0.000 0.782 699 K HN 0.137 nan 8.250 nan 0.000 0.485 700 D N 0.989 121.439 120.400 0.084 0.000 2.441 700 D HA 0.078 4.718 4.640 0.001 0.000 0.231 700 D C 0.574 176.924 176.300 0.082 0.000 1.073 700 D CA -0.156 53.916 54.000 0.119 0.000 0.850 700 D CB 1.033 41.962 40.800 0.215 0.000 1.062 700 D HN -0.277 nan 8.370 nan 0.000 0.524 701 K N 2.204 122.649 120.400 0.074 0.000 2.063 701 K HA -0.065 4.256 4.320 0.001 0.000 0.208 701 K C 1.819 178.451 176.600 0.053 0.000 1.048 701 K CA 0.831 57.148 56.287 0.050 0.000 0.928 701 K CB -0.287 32.238 32.500 0.042 0.000 0.713 701 K HN 0.309 nan 8.250 nan 0.000 0.442 702 V N 1.656 121.630 119.914 0.101 0.000 2.379 702 V HA -0.194 3.927 4.120 0.001 0.000 0.245 702 V C 2.365 178.483 176.094 0.041 0.000 1.044 702 V CA 1.142 63.511 62.300 0.115 0.000 1.036 702 V CB -0.456 31.497 31.823 0.217 0.000 0.664 702 V HN 0.143 nan 8.190 nan 0.000 0.453 703 L N 0.896 122.105 121.223 -0.023 0.000 2.046 703 L HA -0.182 4.159 4.340 0.001 0.000 0.208 703 L C 2.068 178.817 176.870 -0.202 0.000 1.077 703 L CA 2.526 57.133 54.840 -0.388 0.000 0.747 703 L CB -0.936 40.839 42.059 -0.474 0.000 0.896 703 L HN 0.413 nan 8.230 nan 0.000 0.432 704 D N -0.607 119.746 120.400 -0.079 0.000 2.117 704 D HA -0.157 4.483 4.640 0.001 0.000 0.197 704 D C 2.091 178.372 176.300 -0.032 0.000 0.987 704 D CA 1.395 55.369 54.000 -0.043 0.000 0.829 704 D CB -0.014 40.780 40.800 -0.009 0.000 0.961 704 D HN 0.460 nan 8.370 nan 0.000 0.460 705 A N -0.264 122.544 122.820 -0.021 0.000 1.930 705 A HA -0.068 4.253 4.320 0.001 0.000 0.217 705 A C 2.483 180.062 177.584 -0.009 0.000 1.175 705 A CA 1.230 53.260 52.037 -0.011 0.000 0.627 705 A CB -0.706 18.292 19.000 -0.004 0.000 0.815 705 A HN 0.227 nan 8.150 nan 0.000 0.443 706 V N -0.121 119.778 119.914 -0.025 0.000 2.453 706 V HA -0.172 3.949 4.120 0.001 0.000 0.247 706 V C 2.482 178.568 176.094 -0.014 0.000 1.048 706 V CA 1.717 64.009 62.300 -0.013 0.000 1.049 706 V CB -0.414 31.390 31.823 -0.032 0.000 0.672 706 V HN 0.586 nan 8.190 nan 0.000 0.457 707 L N -0.760 120.435 121.223 -0.046 0.000 2.109 707 L HA -0.151 4.190 4.340 0.001 0.000 0.207 707 L C 2.500 179.379 176.870 0.015 0.000 1.086 707 L CA 1.493 56.319 54.840 -0.023 0.000 0.760 707 L CB -0.523 41.513 42.059 -0.039 0.000 0.910 707 L HN 0.243 nan 8.230 nan 0.000 0.437 708 K N 0.043 120.448 120.400 0.008 0.000 2.147 708 K HA -0.189 4.132 4.320 0.001 0.000 0.205 708 K C 1.960 178.579 176.600 0.032 0.000 1.049 708 K CA 1.291 57.587 56.287 0.016 0.000 0.936 708 K CB -0.054 32.447 32.500 0.001 0.000 0.722 708 K HN 0.360 nan 8.250 nan 0.000 0.446 709 E N 0.772 121.003 120.200 0.051 0.000 2.051 709 E HA -0.179 4.172 4.350 0.001 0.000 0.192 709 E C 1.962 178.665 176.600 0.172 0.000 0.991 709 E CA 1.011 57.466 56.400 0.091 0.000 0.799 709 E CB -0.092 29.715 29.700 0.179 0.000 0.748 709 E HN 0.239 nan 8.360 nan 0.000 0.449 710 L N 0.751 122.083 121.223 0.183 0.000 2.201 710 L HA -0.163 4.177 4.340 0.001 0.000 0.212 710 L C 1.987 179.004 176.870 0.245 0.000 1.105 710 L CA 1.023 56.010 54.840 0.245 0.000 0.775 710 L CB -0.162 41.958 42.059 0.102 0.000 0.913 710 L HN 0.105 nan 8.230 nan 0.000 0.440 711 E N -0.783 119.490 120.200 0.122 0.000 2.385 711 E HA -0.091 4.260 4.350 0.001 0.000 0.194 711 E C 2.176 178.785 176.600 0.015 0.000 1.013 711 E CA 0.895 57.334 56.400 0.065 0.000 0.866 711 E CB 0.162 29.885 29.700 0.039 0.000 0.832 711 E HN 0.450 nan 8.360 nan 0.000 0.500 712 S N -0.665 115.045 115.700 0.018 0.000 2.489 712 S HA 0.076 4.547 4.470 0.001 0.000 0.228 712 S C 1.759 176.324 174.600 -0.058 0.000 0.995 712 S CA 0.641 58.823 58.200 -0.030 0.000 0.934 712 S CB 0.285 63.461 63.200 -0.040 0.000 0.771 712 S HN 0.346 nan 8.310 nan 0.000 0.522 713 G N 1.770 110.549 108.800 -0.036 0.000 2.194 713 G HA2 -0.331 3.630 3.960 0.001 0.000 0.236 713 G HA3 -0.331 3.630 3.960 0.001 0.000 0.236 713 G C 0.766 175.626 174.900 -0.067 0.000 0.987 713 G CA 0.508 45.568 45.100 -0.067 0.000 0.635 713 G HN 0.581 nan 8.290 nan 0.000 0.520 714 K N -0.405 119.925 120.400 -0.116 0.000 2.127 714 K HA -0.112 4.209 4.320 0.001 0.000 0.208 714 K C 1.604 177.976 176.600 -0.381 0.000 1.047 714 K CA 1.966 58.075 56.287 -0.297 0.000 0.927 714 K CB -0.214 31.999 32.500 -0.478 0.000 0.716 714 K HN 0.533 nan 8.250 nan 0.000 0.450 715 Y N -0.421 119.927 120.300 0.079 0.000 2.467 715 Y HA 0.138 4.689 4.550 0.001 0.000 0.250 715 Y C 0.797 176.742 175.900 0.075 0.000 1.155 715 Y CA 0.041 58.190 58.100 0.082 0.000 1.249 715 Y CB 0.994 39.500 38.460 0.076 0.000 1.146 715 Y HN 0.109 nan 8.280 nan 0.000 0.524 716 S N -1.818 113.944 115.700 0.103 0.000 2.901 716 S HA 0.207 4.678 4.470 0.001 0.000 0.248 716 S C -0.222 174.358 174.600 -0.034 0.000 1.021 716 S CA -0.310 57.879 58.200 -0.020 0.000 1.090 716 S CB -0.137 62.913 63.200 -0.251 0.000 1.039 716 S HN 0.229 nan 8.310 nan 0.000 0.514 717 D N 1.181 121.569 120.400 -0.019 0.000 2.772 717 D HA -0.155 4.486 4.640 0.001 0.000 0.233 717 D C 1.183 177.457 176.300 -0.044 0.000 1.143 717 D CA 1.909 55.895 54.000 -0.025 0.000 0.700 717 D CB -1.523 39.275 40.800 -0.004 0.000 1.076 717 D HN 1.381 nan 8.370 nan 0.000 0.430 718 G N 0.009 108.771 108.800 -0.063 0.000 2.176 718 G HA2 -0.319 3.642 3.960 0.001 0.000 0.253 718 G HA3 -0.319 3.642 3.960 0.001 0.000 0.253 718 G C -0.020 174.819 174.900 -0.100 0.000 0.979 718 G CA 0.350 45.405 45.100 -0.076 0.000 0.641 718 G HN 0.678 nan 8.290 nan 0.000 0.530 719 D N 0.782 121.116 120.400 -0.110 0.000 2.374 719 D HA 0.397 5.037 4.640 0.001 0.000 0.240 719 D C 1.479 177.651 176.300 -0.213 0.000 1.229 719 D CA -0.280 53.635 54.000 -0.142 0.000 0.895 719 D CB 0.375 41.110 40.800 -0.108 0.000 1.046 719 D HN 0.352 nan 8.370 nan 0.000 0.498 720 K N 2.084 122.311 120.400 -0.289 0.000 2.439 720 K HA -0.078 4.243 4.320 0.001 0.000 0.197 720 K C 0.664 177.059 176.600 -0.342 0.000 1.041 720 K CA 0.617 56.708 56.287 -0.326 0.000 0.970 720 K CB 0.231 32.502 32.500 -0.383 0.000 0.773 720 K HN 0.529 nan 8.250 nan 0.000 0.479 721 H N -0.777 118.230 119.070 -0.105 0.000 2.549 721 H HA 0.241 4.797 4.556 0.001 0.000 0.279 721 H C 1.622 176.853 175.328 -0.161 0.000 1.018 721 H CA 0.195 56.183 56.048 -0.101 0.000 1.175 721 H CB 0.340 30.069 29.762 -0.055 0.000 1.485 721 H HN 0.163 nan 8.280 nan 0.000 0.543 722 A N 0.757 123.428 122.820 -0.247 0.000 1.908 722 A HA -0.154 4.166 4.320 0.001 0.000 0.218 722 A C 0.937 178.289 177.584 -0.387 0.000 1.181 722 A CA 1.260 53.042 52.037 -0.425 0.000 0.627 722 A CB -0.595 17.841 19.000 -0.939 0.000 0.818 722 A HN 0.185 nan 8.150 nan 0.000 0.445 723 F N -0.184 119.820 119.950 0.090 0.000 2.772 723 F HA 0.249 4.776 4.527 0.001 0.000 0.302 723 F C 0.946 176.743 175.800 -0.005 0.000 1.136 723 F CA -1.137 56.894 58.000 0.052 0.000 1.322 723 F CB -0.208 38.787 39.000 -0.008 0.000 0.967 723 F HN 0.052 nan 8.300 nan 0.000 0.513 724 D N 0.725 121.157 120.400 0.054 0.000 2.133 724 D HA -0.194 4.446 4.640 0.001 0.000 0.195 724 D C 2.005 178.232 176.300 -0.120 0.000 0.997 724 D CA 1.558 55.474 54.000 -0.139 0.000 0.840 724 D CB 0.020 40.762 40.800 -0.097 0.000 0.947 724 D HN 0.402 nan 8.370 nan 0.000 0.452 725 Q N -0.384 119.456 119.800 0.066 0.000 2.084 725 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 725 Q C 2.256 178.331 176.000 0.127 0.000 0.978 725 Q CA 1.060 56.941 55.803 0.131 0.000 0.844 725 Q CB -0.167 28.659 28.738 0.146 0.000 0.898 725 Q HN 0.341 nan 8.270 nan 0.000 0.426 726 M N 0.169 119.839 119.600 0.115 0.000 2.132 726 M HA -0.155 4.326 4.480 0.001 0.000 0.263 726 M C 1.448 177.822 176.300 0.125 0.000 1.065 726 M CA 1.150 56.512 55.300 0.103 0.000 1.122 726 M CB 0.153 32.799 32.600 0.077 0.000 1.365 726 M HN 0.195 nan 8.290 nan 0.000 0.411 727 L N -0.085 121.181 121.223 0.073 0.000 2.093 727 L HA -0.179 4.161 4.340 0.001 0.000 0.208 727 L C 2.525 179.439 176.870 0.072 0.000 1.085 727 L CA 1.717 56.582 54.840 0.042 0.000 0.755 727 L CB -1.893 40.157 42.059 -0.016 0.000 0.904 727 L HN 0.368 nan 8.230 nan 0.000 0.435 728 H N -0.797 118.339 119.070 0.110 0.000 2.389 728 H HA -0.047 4.510 4.556 0.001 0.000 0.299 728 H C 2.433 177.818 175.328 0.096 0.000 1.081 728 H CA 1.426 57.527 56.048 0.088 0.000 1.345 728 H CB -0.357 29.451 29.762 0.077 0.000 1.393 728 H HN 0.403 nan 8.280 nan 0.000 0.520 729 S N 1.021 116.867 115.700 0.243 0.000 2.400 729 S HA -0.121 4.350 4.470 0.001 0.000 0.232 729 S C 1.936 176.658 174.600 0.203 0.000 1.025 729 S CA 1.441 59.772 58.200 0.219 0.000 0.993 729 S CB -0.760 62.581 63.200 0.235 0.000 0.808 729 S HN 0.595 nan 8.310 nan 0.000 0.478 730 I N -1.478 119.205 120.570 0.188 0.000 3.928 730 I HA 0.535 4.706 4.170 0.001 0.000 0.335 730 I C 0.989 177.157 176.117 0.086 0.000 1.325 730 I CA -0.431 60.956 61.300 0.145 0.000 1.107 730 I CB -0.284 37.796 38.000 0.133 0.000 1.014 730 I HN 0.271 nan 8.210 nan 0.000 0.400 731 G N 1.240 110.100 108.800 0.101 0.000 2.890 731 G HA2 0.212 4.173 3.960 0.001 0.000 0.189 731 G HA3 0.212 4.173 3.960 0.001 0.000 0.189 731 G C 0.429 175.357 174.900 0.046 0.000 1.342 731 G CA -0.267 44.877 45.100 0.073 0.000 1.026 731 G HN -0.010 nan 8.290 nan 0.000 0.579 732 K N -0.441 119.986 120.400 0.044 0.000 2.097 732 K HA -0.078 4.243 4.320 0.001 0.000 0.206 732 K C 2.583 179.191 176.600 0.012 0.000 1.049 732 K CA 1.779 58.074 56.287 0.013 0.000 0.933 732 K CB -0.340 32.169 32.500 0.014 0.000 0.717 732 K HN 0.384 nan 8.250 nan 0.000 0.442 733 Q N -1.112 118.704 119.800 0.027 0.000 2.079 733 Q HA 0.047 4.387 4.340 0.001 0.000 0.200 733 Q C 2.144 178.154 176.000 0.017 0.000 0.974 733 Q CA 1.805 57.598 55.803 -0.017 0.000 0.840 733 Q CB -0.708 27.958 28.738 -0.120 0.000 0.898 733 Q HN 0.437 nan 8.270 nan 0.000 0.430 734 G N -1.328 107.511 108.800 0.066 0.000 2.595 734 G HA2 0.283 4.244 3.960 0.001 0.000 0.213 734 G HA3 0.283 4.244 3.960 0.001 0.000 0.213 734 G C 1.011 175.945 174.900 0.058 0.000 1.141 734 G CA 0.315 45.464 45.100 0.081 0.000 0.806 734 G HN 0.577 nan 8.290 nan 0.000 0.530 735 G N 0.196 109.020 108.800 0.038 0.000 2.179 735 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 735 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 735 G C 0.335 175.270 174.900 0.059 0.000 0.977 735 G CA 0.895 46.004 45.100 0.015 0.000 0.641 735 G HN 1.102 nan 8.290 nan 0.000 0.533 736 D N -0.748 119.711 120.400 0.098 0.000 2.735 736 D HA -0.137 4.503 4.640 0.001 0.000 0.235 736 D C -0.286 176.114 176.300 0.167 0.000 1.175 736 D CA 1.180 55.283 54.000 0.173 0.000 0.683 736 D CB -0.402 40.511 40.800 0.189 0.000 1.008 736 D HN 0.395 nan 8.370 nan 0.000 0.416 737 P HA -0.127 nan 4.420 nan 0.000 0.225 737 P C 0.836 177.872 177.300 -0.440 0.000 1.148 737 P CA 1.048 63.997 63.100 -0.253 0.000 0.779 737 P CB -0.090 31.341 31.700 -0.447 0.000 0.780 738 Y N -0.949 119.412 120.300 0.101 0.000 2.468 738 Y HA 0.271 4.822 4.550 0.001 0.000 0.268 738 Y C 1.310 177.201 175.900 -0.015 0.000 1.177 738 Y CA -0.430 57.710 58.100 0.066 0.000 1.265 738 Y CB -0.333 38.223 38.460 0.160 0.000 1.103 738 Y HN -0.284 nan 8.280 nan 0.000 0.522 739 L N -0.837 120.402 121.223 0.027 0.000 3.717 739 L HA -0.330 4.011 4.340 0.001 0.000 0.411 739 L C 1.018 177.877 176.870 -0.018 0.000 1.233 739 L CA -0.107 54.660 54.840 -0.121 0.000 0.917 739 L CB -2.263 39.593 42.059 -0.337 0.000 1.902 739 L HN 0.143 nan 8.230 nan 0.000 0.894 740 V N -0.637 119.301 119.914 0.040 0.000 2.343 740 V HA -0.313 3.808 4.120 0.001 0.000 0.247 740 V C 2.466 178.604 176.094 0.073 0.000 1.051 740 V CA 2.485 64.783 62.300 -0.003 0.000 1.036 740 V CB -0.248 31.490 31.823 -0.143 0.000 0.654 740 V HN 0.479 nan 8.190 nan 0.000 0.451 741 M N -0.067 119.578 119.600 0.076 0.000 2.132 741 M HA -0.081 4.400 4.480 0.001 0.000 0.263 741 M C 2.429 178.784 176.300 0.092 0.000 1.065 741 M CA 2.168 57.534 55.300 0.110 0.000 1.122 741 M CB -1.516 31.148 32.600 0.108 0.000 1.365 741 M HN 0.395 nan 8.290 nan 0.000 0.411 742 A N -0.112 122.575 122.820 -0.221 0.000 2.019 742 A HA -0.156 4.165 4.320 0.001 0.000 0.219 742 A C 1.729 179.304 177.584 -0.016 0.000 1.164 742 A CA 1.781 53.406 52.037 -0.687 0.000 0.644 742 A CB -0.473 17.876 19.000 -1.085 0.000 0.805 742 A HN 0.406 nan 8.150 nan 0.000 0.449 743 D N -2.354 118.128 120.400 0.138 0.000 2.379 743 D HA 0.118 4.759 4.640 0.001 0.000 0.208 743 D C 1.204 177.702 176.300 0.329 0.000 1.065 743 D CA -0.133 54.030 54.000 0.272 0.000 0.848 743 D CB -0.117 40.831 40.800 0.247 0.000 0.949 743 D HN 0.383 nan 8.370 nan 0.000 0.509 744 F N 2.398 122.458 119.950 0.184 0.000 2.065 744 F HA -0.261 4.267 4.527 0.001 0.000 0.298 744 F C 2.142 178.055 175.800 0.189 0.000 1.112 744 F CA 1.981 60.098 58.000 0.195 0.000 1.212 744 F CB -0.211 38.889 39.000 0.167 0.000 0.975 744 F HN -0.029 nan 8.300 nan 0.000 0.476 745 A N 0.292 123.255 122.820 0.238 0.000 1.908 745 A HA -0.083 4.237 4.320 0.001 0.000 0.218 745 A C 2.383 179.956 177.584 -0.018 0.000 1.181 745 A CA 2.007 54.096 52.037 0.086 0.000 0.627 745 A CB -1.622 17.534 19.000 0.260 0.000 0.818 745 A HN 0.556 nan 8.150 nan 0.000 0.445 746 A N -1.836 121.038 122.820 0.089 0.000 1.969 746 A HA -0.023 4.297 4.320 0.001 0.000 0.218 746 A C 2.115 179.674 177.584 -0.043 0.000 1.169 746 A CA 1.570 53.659 52.037 0.088 0.000 0.635 746 A CB -0.697 18.422 19.000 0.198 0.000 0.810 746 A HN 0.681 nan 8.150 nan 0.000 0.445 747 Y N 0.843 120.930 120.300 -0.354 0.000 2.145 747 Y HA -0.164 4.386 4.550 0.001 0.000 0.286 747 Y C 2.363 177.807 175.900 -0.759 0.000 1.145 747 Y CA 1.623 59.161 58.100 -0.937 0.000 1.148 747 Y CB -0.687 37.301 38.460 -0.785 0.000 0.981 747 Y HN 0.059 nan 8.280 nan 0.000 0.507 748 V N 0.735 120.206 119.914 -0.738 0.000 2.332 748 V HA -0.307 3.814 4.120 0.001 0.000 0.248 748 V C 2.411 178.227 176.094 -0.463 0.000 1.055 748 V CA 2.311 64.175 62.300 -0.726 0.000 1.038 748 V CB -0.797 30.680 31.823 -0.577 0.000 0.651 748 V HN 0.382 nan 8.190 nan 0.000 0.450 749 E N 0.954 120.975 120.200 -0.298 0.000 2.051 749 E HA -0.195 4.156 4.350 0.001 0.000 0.192 749 E C 2.127 178.622 176.600 -0.175 0.000 0.991 749 E CA 1.866 58.167 56.400 -0.166 0.000 0.799 749 E CB -0.623 29.035 29.700 -0.070 0.000 0.748 749 E HN 0.489 nan 8.360 nan 0.000 0.449 750 A N 0.599 123.290 122.820 -0.214 0.000 1.908 750 A HA -0.234 4.087 4.320 0.001 0.000 0.218 750 A C 2.183 179.566 177.584 -0.335 0.000 1.181 750 A CA 1.780 53.723 52.037 -0.157 0.000 0.627 750 A CB -0.610 18.314 19.000 -0.126 0.000 0.818 750 A HN 0.308 nan 8.150 nan 0.000 0.445 751 Q N -0.280 119.197 119.800 -0.539 0.000 2.224 751 Q HA -0.116 4.224 4.340 0.001 0.000 0.203 751 Q C 1.884 177.694 176.000 -0.318 0.000 0.970 751 Q CA 1.390 56.862 55.803 -0.552 0.000 0.865 751 Q CB -0.214 28.006 28.738 -0.863 0.000 0.922 751 Q HN 0.733 nan 8.270 nan 0.000 0.445 752 K N 0.528 120.791 120.400 -0.228 0.000 2.097 752 K HA -0.132 4.189 4.320 0.001 0.000 0.205 752 K C 2.066 178.623 176.600 -0.072 0.000 1.050 752 K CA 0.926 57.146 56.287 -0.112 0.000 0.938 752 K CB 0.020 32.478 32.500 -0.071 0.000 0.718 752 K HN 0.257 nan 8.250 nan 0.000 0.442 753 Q N 0.401 120.164 119.800 -0.061 0.000 2.224 753 Q HA -0.100 4.241 4.340 0.001 0.000 0.203 753 Q C 2.054 178.082 176.000 0.047 0.000 0.970 753 Q CA 0.852 56.702 55.803 0.078 0.000 0.865 753 Q CB 0.004 28.887 28.738 0.242 0.000 0.922 753 Q HN 0.092 nan 8.270 nan 0.000 0.445 754 V N 1.448 121.178 119.914 -0.306 0.000 2.295 754 V HA -0.269 3.851 4.120 0.001 0.000 0.246 754 V C 1.270 177.370 176.094 0.010 0.000 1.049 754 V CA 2.166 64.245 62.300 -0.368 0.000 1.024 754 V CB -0.488 31.024 31.823 -0.517 0.000 0.648 754 V HN 0.334 nan 8.190 nan 0.000 0.447 755 D N -0.035 120.338 120.400 -0.046 0.000 2.123 755 D HA -0.164 4.477 4.640 0.001 0.000 0.196 755 D C 2.066 178.418 176.300 0.087 0.000 0.992 755 D CA 1.391 55.392 54.000 0.001 0.000 0.833 755 D CB -0.400 40.388 40.800 -0.020 0.000 0.954 755 D HN 0.302 nan 8.370 nan 0.000 0.455 756 V N 0.405 120.384 119.914 0.108 0.000 2.307 756 V HA -0.181 3.940 4.120 0.001 0.000 0.245 756 V C 2.282 178.488 176.094 0.187 0.000 1.045 756 V CA 1.036 63.410 62.300 0.124 0.000 1.024 756 V CB -0.417 31.478 31.823 0.121 0.000 0.651 756 V HN 0.165 nan 8.190 nan 0.000 0.449 757 L N -0.868 120.544 121.223 0.315 0.000 2.056 757 L HA -0.167 4.174 4.340 0.001 0.000 0.207 757 L C 2.269 179.425 176.870 0.476 0.000 1.078 757 L CA 1.979 57.085 54.840 0.444 0.000 0.749 757 L CB -0.847 41.617 42.059 0.676 0.000 0.901 757 L HN 0.428 nan 8.230 nan 0.000 0.433 758 Y N 0.084 120.502 120.300 0.195 0.000 2.274 758 Y HA -0.202 4.349 4.550 0.001 0.000 0.290 758 Y C 2.630 178.426 175.900 -0.173 0.000 1.145 758 Y CA 1.506 59.423 58.100 -0.304 0.000 1.203 758 Y CB -0.073 37.991 38.460 -0.660 0.000 0.984 758 Y HN 0.130 nan 8.280 nan 0.000 0.533 759 R N -0.359 120.153 120.500 0.019 0.000 2.120 759 R HA -0.136 4.205 4.340 0.001 0.000 0.234 759 R C 0.299 176.571 176.300 -0.048 0.000 1.123 759 R CA 1.228 57.313 56.100 -0.025 0.000 0.975 759 R CB -0.363 29.953 30.300 0.027 0.000 0.866 759 R HN 0.190 nan 8.270 nan 0.000 0.446 760 D N 0.985 121.393 120.400 0.014 0.000 2.494 760 D HA 0.001 4.642 4.640 0.001 0.000 0.217 760 D C 0.822 177.138 176.300 0.027 0.000 1.153 760 D CA 0.021 54.038 54.000 0.027 0.000 0.954 760 D CB 0.754 41.597 40.800 0.072 0.000 1.034 760 D HN -0.031 nan 8.370 nan 0.000 0.518 761 Q N 1.650 121.415 119.800 -0.059 0.000 2.181 761 Q HA -0.198 4.142 4.340 0.001 0.000 0.205 761 Q C 1.479 177.510 176.000 0.051 0.000 0.980 761 Q CA 0.974 56.741 55.803 -0.060 0.000 0.862 761 Q CB 0.131 28.776 28.738 -0.155 0.000 0.905 761 Q HN 0.704 nan 8.270 nan 0.000 0.429 762 E N -0.065 120.159 120.200 0.040 0.000 2.107 762 E HA -0.109 4.242 4.350 0.001 0.000 0.191 762 E C 1.819 178.456 176.600 0.062 0.000 0.982 762 E CA 0.822 57.251 56.400 0.047 0.000 0.809 762 E CB 0.066 29.782 29.700 0.028 0.000 0.756 762 E HN 0.261 nan 8.360 nan 0.000 0.459 763 A N 1.809 124.675 122.820 0.077 0.000 1.898 763 A HA -0.177 4.144 4.320 0.001 0.000 0.216 763 A C 2.017 179.656 177.584 0.092 0.000 1.181 763 A CA 1.145 53.225 52.037 0.072 0.000 0.620 763 A CB -1.186 17.864 19.000 0.084 0.000 0.819 763 A HN 0.704 nan 8.150 nan 0.000 0.442 764 W N 1.026 122.316 121.300 -0.016 0.000 2.378 764 W HA -0.145 4.516 4.660 0.001 0.000 0.313 764 W C 1.888 178.412 176.519 0.009 0.000 1.197 764 W CA 2.275 59.625 57.345 0.009 0.000 1.304 764 W CB -0.777 28.655 29.460 -0.046 0.000 1.148 764 W HN 0.355 nan 8.180 nan 0.000 0.494 765 T N 1.084 115.782 114.554 0.241 0.000 2.788 765 T HA -0.174 4.177 4.350 0.001 0.000 0.268 765 T C 1.876 176.542 174.700 -0.057 0.000 1.044 765 T CA 1.663 63.846 62.100 0.138 0.000 1.139 765 T CB -0.291 68.674 68.868 0.162 0.000 0.867 765 T HN 0.138 nan 8.240 nan 0.000 0.454 766 R N 0.919 121.394 120.500 -0.041 0.000 2.096 766 R HA -0.083 4.257 4.340 0.001 0.000 0.240 766 R C 2.814 179.022 176.300 -0.155 0.000 1.139 766 R CA 1.515 57.560 56.100 -0.091 0.000 0.952 766 R CB -0.549 29.716 30.300 -0.058 0.000 0.854 766 R HN 0.373 nan 8.270 nan 0.000 0.436 767 A N 0.984 123.691 122.820 -0.187 0.000 1.908 767 A HA -0.150 4.170 4.320 0.001 0.000 0.218 767 A C 2.352 179.776 177.584 -0.266 0.000 1.181 767 A CA 1.807 53.692 52.037 -0.254 0.000 0.627 767 A CB -0.681 18.108 19.000 -0.352 0.000 0.818 767 A HN 0.444 nan 8.150 nan 0.000 0.445 768 A N -0.123 122.522 122.820 -0.292 0.000 1.873 768 A HA -0.061 4.260 4.320 0.001 0.000 0.215 768 A C 2.117 179.604 177.584 -0.163 0.000 1.186 768 A CA 1.472 53.410 52.037 -0.166 0.000 0.616 768 A CB -0.613 18.393 19.000 0.010 0.000 0.823 768 A HN 0.486 nan 8.150 nan 0.000 0.442 769 I N -0.237 120.099 120.570 -0.389 0.000 2.208 769 I HA -0.275 3.896 4.170 0.001 0.000 0.245 769 I C 2.235 178.245 176.117 -0.178 0.000 1.097 769 I CA 1.155 62.184 61.300 -0.452 0.000 1.363 769 I CB -0.291 37.440 38.000 -0.448 0.000 1.051 769 I HN 0.289 nan 8.210 nan 0.000 0.413 770 L N 0.115 121.247 121.223 -0.152 0.000 2.201 770 L HA -0.183 4.157 4.340 0.001 0.000 0.212 770 L C 2.240 179.073 176.870 -0.062 0.000 1.105 770 L CA 1.069 55.849 54.840 -0.101 0.000 0.775 770 L CB -0.703 41.292 42.059 -0.106 0.000 0.913 770 L HN 0.344 nan 8.230 nan 0.000 0.440 771 N N -0.637 118.024 118.700 -0.064 0.000 2.142 771 N HA -0.135 4.606 4.740 0.001 0.000 0.186 771 N C 1.739 177.265 175.510 0.026 0.000 1.023 771 N CA 1.833 54.869 53.050 -0.024 0.000 0.852 771 N CB -0.007 38.455 38.487 -0.040 0.000 0.998 771 N HN 0.291 nan 8.380 nan 0.000 0.424 772 T N 1.165 115.743 114.554 0.041 0.000 2.708 772 T HA -0.067 4.284 4.350 0.001 0.000 0.266 772 T C 1.999 176.724 174.700 0.042 0.000 1.037 772 T CA 1.313 63.456 62.100 0.072 0.000 1.146 772 T CB -0.229 68.725 68.868 0.143 0.000 0.865 772 T HN 0.308 nan 8.240 nan 0.000 0.435 773 A N 1.168 123.995 122.820 0.012 0.000 1.969 773 A HA 0.008 4.329 4.320 0.001 0.000 0.218 773 A C 2.214 179.806 177.584 0.013 0.000 1.169 773 A CA 1.086 53.122 52.037 -0.001 0.000 0.635 773 A CB -0.274 18.708 19.000 -0.030 0.000 0.810 773 A HN 0.379 nan 8.150 nan 0.000 0.445 774 R N -1.954 118.561 120.500 0.025 0.000 2.362 774 R HA 0.162 4.503 4.340 0.001 0.000 0.227 774 R C 0.351 176.706 176.300 0.092 0.000 0.905 774 R CA 0.082 56.203 56.100 0.035 0.000 1.067 774 R CB -0.038 30.274 30.300 0.020 0.000 1.078 774 R HN 0.453 nan 8.270 nan 0.000 0.516 775 C N 0.244 119.630 119.300 0.144 0.000 2.688 775 C HA 0.209 4.670 4.460 0.001 0.000 0.297 775 C C 2.140 177.259 174.990 0.214 0.000 1.308 775 C CA -0.494 58.712 59.018 0.313 0.000 1.726 775 C CB -0.546 27.410 27.740 0.361 0.000 1.982 775 C HN 0.661 nan 8.230 nan 0.000 0.604 776 G N 1.976 110.818 108.800 0.070 0.000 2.450 776 G HA2 -0.306 3.654 3.960 0.001 0.000 0.220 776 G HA3 -0.306 3.654 3.960 0.001 0.000 0.220 776 G C 1.603 176.474 174.900 -0.048 0.000 1.130 776 G CA 1.230 46.355 45.100 0.041 0.000 0.760 776 G HN 0.706 nan 8.290 nan 0.000 0.557 777 M N -1.348 118.107 119.600 -0.241 0.000 2.539 777 M HA 0.232 4.713 4.480 0.001 0.000 0.261 777 M C 1.215 177.245 176.300 -0.451 0.000 1.069 777 M CA 1.196 56.250 55.300 -0.409 0.000 1.081 777 M CB -0.364 31.875 32.600 -0.602 0.000 1.412 777 M HN 0.032 nan 8.290 nan 0.000 0.482 778 F N 0.921 120.902 119.950 0.052 0.000 2.773 778 F HA 0.301 4.828 4.527 0.001 0.000 0.304 778 F C 1.402 177.258 175.800 0.093 0.000 1.129 778 F CA -0.335 57.704 58.000 0.065 0.000 1.378 778 F CB -0.587 38.441 39.000 0.047 0.000 1.095 778 F HN 0.138 nan 8.300 nan 0.000 0.565 779 S N 0.302 116.107 115.700 0.175 0.000 2.549 779 S HA 0.026 4.497 4.470 0.001 0.000 0.283 779 S C 1.565 176.270 174.600 0.175 0.000 1.320 779 S CA 0.096 58.398 58.200 0.169 0.000 1.058 779 S CB 0.614 63.882 63.200 0.112 0.000 0.882 779 S HN 0.384 nan 8.310 nan 0.000 0.498 780 S N 3.267 119.101 115.700 0.225 0.000 2.474 780 S HA -0.095 4.375 4.470 0.001 0.000 0.235 780 S C 1.016 175.684 174.600 0.114 0.000 0.997 780 S CA 0.880 59.245 58.200 0.276 0.000 0.949 780 S CB -0.360 63.099 63.200 0.431 0.000 0.766 780 S HN 0.793 nan 8.310 nan 0.000 0.517 781 D N 1.818 122.267 120.400 0.081 0.000 2.144 781 D HA -0.080 4.561 4.640 0.001 0.000 0.199 781 D C 2.088 178.390 176.300 0.003 0.000 0.984 781 D CA 0.795 54.812 54.000 0.029 0.000 0.834 781 D CB -0.339 40.476 40.800 0.024 0.000 0.955 781 D HN 0.290 nan 8.370 nan 0.000 0.465 782 R N 1.041 121.548 120.500 0.012 0.000 2.075 782 R HA -0.043 4.298 4.340 0.001 0.000 0.232 782 R C 2.011 178.289 176.300 -0.037 0.000 1.126 782 R CA 0.897 56.985 56.100 -0.020 0.000 0.963 782 R CB -0.337 29.943 30.300 -0.034 0.000 0.858 782 R HN 0.041 nan 8.270 nan 0.000 0.435 783 S N 1.388 117.089 115.700 0.001 0.000 2.365 783 S HA -0.144 4.327 4.470 0.001 0.000 0.225 783 S C 2.015 176.539 174.600 -0.125 0.000 1.039 783 S CA 1.329 59.518 58.200 -0.019 0.000 1.033 783 S CB -0.232 63.037 63.200 0.115 0.000 0.887 783 S HN 0.216 nan 8.310 nan 0.000 0.447 784 I N 1.781 122.233 120.570 -0.197 0.000 2.163 784 I HA -0.128 4.043 4.170 0.001 0.000 0.243 784 I C 2.389 178.458 176.117 -0.080 0.000 1.085 784 I CA 1.379 62.585 61.300 -0.157 0.000 1.347 784 I CB -1.263 36.691 38.000 -0.076 0.000 1.044 784 I HN 0.193 nan 8.210 nan 0.000 0.408 785 R N 0.973 121.437 120.500 -0.061 0.000 2.105 785 R HA -0.156 4.184 4.340 0.001 0.000 0.239 785 R C 1.813 178.050 176.300 -0.105 0.000 1.135 785 R CA 1.173 57.242 56.100 -0.051 0.000 0.967 785 R CB -1.048 29.228 30.300 -0.040 0.000 0.861 785 R HN 0.419 nan 8.270 nan 0.000 0.442 786 D N -0.323 119.982 120.400 -0.157 0.000 2.097 786 D HA -0.141 4.499 4.640 0.001 0.000 0.195 786 D C 1.993 178.065 176.300 -0.381 0.000 0.989 786 D CA 1.131 54.986 54.000 -0.242 0.000 0.827 786 D CB -0.430 40.206 40.800 -0.273 0.000 0.966 786 D HN 0.218 nan 8.370 nan 0.000 0.456 787 Y N 1.495 121.464 120.300 -0.551 0.000 2.165 787 Y HA -0.188 4.363 4.550 0.001 0.000 0.286 787 Y C 2.619 178.048 175.900 -0.784 0.000 1.155 787 Y CA 1.322 58.823 58.100 -0.999 0.000 1.164 787 Y CB -0.278 36.979 38.460 -2.005 0.000 0.978 787 Y HN 0.065 nan 8.280 nan 0.000 0.513 788 Q N -0.824 118.836 119.800 -0.234 0.000 2.050 788 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 788 Q C 2.573 178.568 176.000 -0.009 0.000 0.980 788 Q CA 1.438 57.273 55.803 0.052 0.000 0.840 788 Q CB -0.375 28.432 28.738 0.114 0.000 0.898 788 Q HN 0.520 nan 8.270 nan 0.000 0.424 789 A N 1.030 123.806 122.820 -0.074 0.000 1.929 789 A HA -0.123 4.197 4.320 0.001 0.000 0.216 789 A C 1.935 179.471 177.584 -0.081 0.000 1.176 789 A CA 1.079 53.082 52.037 -0.057 0.000 0.628 789 A CB -0.165 18.799 19.000 -0.059 0.000 0.816 789 A HN 0.182 nan 8.150 nan 0.000 0.444 790 R N -1.400 118.996 120.500 -0.174 0.000 2.189 790 R HA 0.352 4.693 4.340 0.001 0.000 0.203 790 R C 1.140 177.271 176.300 -0.283 0.000 1.012 790 R CA 1.101 57.060 56.100 -0.235 0.000 1.015 790 R CB 0.065 30.156 30.300 -0.348 0.000 0.938 790 R HN 0.542 nan 8.270 nan 0.000 0.472 791 I N -2.589 117.861 120.570 -0.200 0.000 3.680 791 I HA 0.017 4.188 4.170 0.001 0.000 0.261 791 I C 1.281 177.582 176.117 0.306 0.000 1.121 791 I CA -0.187 61.122 61.300 0.016 0.000 1.429 791 I CB -0.275 37.634 38.000 -0.152 0.000 1.719 791 I HN 0.027 nan 8.210 nan 0.000 0.413 792 W N 2.336 123.738 121.300 0.170 0.000 2.355 792 W HA -0.088 4.573 4.660 0.001 0.000 0.309 792 W C 1.979 178.531 176.519 0.056 0.000 1.206 792 W CA 0.771 58.201 57.345 0.141 0.000 1.284 792 W CB -0.834 28.695 29.460 0.114 0.000 1.145 792 W HN 0.233 nan 8.180 nan 0.000 0.502 793 Q N -0.795 119.157 119.800 0.255 0.000 2.220 793 Q HA 0.342 4.683 4.340 0.001 0.000 0.205 793 Q C 0.557 176.588 176.000 0.050 0.000 0.865 793 Q CA 0.021 55.898 55.803 0.123 0.000 0.960 793 Q CB -0.275 28.528 28.738 0.108 0.000 1.097 793 Q HN 0.016 nan 8.270 nan 0.000 0.493 794 A N 1.371 124.221 122.820 0.049 0.000 2.346 794 A HA 0.334 4.654 4.320 0.001 0.000 0.252 794 A C 0.298 177.865 177.584 -0.028 0.000 1.089 794 A CA -0.354 51.693 52.037 0.015 0.000 0.797 794 A CB 0.385 19.407 19.000 0.037 0.000 1.047 794 A HN 0.087 nan 8.150 nan 0.000 0.494 795 K N 0.827 121.214 120.400 -0.023 0.000 2.270 795 K HA 0.273 4.594 4.320 0.001 0.000 0.276 795 K C 0.127 176.686 176.600 -0.069 0.000 1.023 795 K CA 0.122 56.382 56.287 -0.047 0.000 0.955 795 K CB 0.504 32.992 32.500 -0.020 0.000 0.975 795 K HN 0.666 nan 8.250 nan 0.000 0.471 796 R N 0.000 120.429 120.500 -0.119 0.000 2.786 796 R HA 0.000 4.341 4.340 0.001 0.000 0.208 796 R CA 0.000 56.006 56.100 -0.156 0.000 0.921 796 R CB 0.000 30.132 30.300 -0.279 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535