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 1l6i_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.575 174.600 -0.042 0.000 1.055 1 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 1 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 2 Q N 1.683 121.453 119.800 -0.049 0.000 3.113 2 Q HA 0.028 4.369 4.340 0.001 0.000 0.355 2 Q C -2.060 173.968 176.000 0.046 0.000 1.078 2 Q CA -0.176 55.605 55.803 -0.038 0.000 1.197 2 Q CB -0.307 28.410 28.738 -0.035 0.000 0.954 2 Q HN 0.413 nan 8.270 nan 0.000 0.415 3 P HA 0.032 nan 4.420 nan 0.000 0.270 3 P C -0.804 176.752 177.300 0.426 0.000 1.223 3 P CA 0.051 63.276 63.100 0.208 0.000 0.785 3 P CB 0.560 32.374 31.700 0.189 0.000 0.923 4 I N 1.654 122.436 120.570 0.353 0.000 2.378 4 I HA 0.297 4.467 4.170 0.001 0.000 0.291 4 I C -0.065 176.061 176.117 0.015 0.000 0.992 4 I CA -0.545 60.897 61.300 0.237 0.000 1.154 4 I CB 0.519 38.579 38.000 0.099 0.000 1.315 4 I HN 0.212 nan 8.210 nan 0.000 0.448 5 F N 7.231 126.923 119.950 -0.430 0.000 2.412 5 F HA 0.383 4.911 4.527 0.001 0.000 0.348 5 F C 0.219 175.750 175.800 -0.449 0.000 1.102 5 F CA 0.090 57.518 58.000 -0.952 0.000 1.196 5 F CB 0.425 38.587 39.000 -1.398 0.000 1.144 5 F HN 0.480 nan 8.300 nan 0.000 0.541 6 N N 4.920 122.932 118.700 -1.145 0.000 2.410 6 N HA 0.075 4.816 4.740 0.001 0.000 0.287 6 N C -0.108 174.883 175.510 -0.865 0.000 1.044 6 N CA -0.335 52.318 53.050 -0.662 0.000 0.881 6 N CB 1.540 39.795 38.487 -0.387 0.000 1.405 6 N HN 0.852 nan 8.380 nan 0.000 0.490 7 D N 2.782 122.950 120.400 -0.388 0.000 2.144 7 D HA -0.147 4.493 4.640 0.001 0.000 0.199 7 D C 1.651 177.934 176.300 -0.030 0.000 0.984 7 D CA 1.404 55.351 54.000 -0.088 0.000 0.834 7 D CB 0.389 41.274 40.800 0.141 0.000 0.955 7 D HN 0.575 nan 8.370 nan 0.000 0.465 8 K N -0.028 120.328 120.400 -0.074 0.000 2.217 8 K HA -0.143 4.178 4.320 0.001 0.000 0.202 8 K C 2.084 178.636 176.600 -0.080 0.000 1.051 8 K CA 0.793 57.057 56.287 -0.040 0.000 0.952 8 K CB -0.013 32.460 32.500 -0.047 0.000 0.736 8 K HN 0.251 nan 8.250 nan 0.000 0.453 9 Q N -0.461 119.240 119.800 -0.165 0.000 2.079 9 Q HA -0.146 4.195 4.340 0.001 0.000 0.200 9 Q C 1.890 177.807 176.000 -0.138 0.000 0.974 9 Q CA 1.433 57.130 55.803 -0.177 0.000 0.840 9 Q CB -0.116 28.467 28.738 -0.257 0.000 0.898 9 Q HN 0.300 nan 8.270 nan 0.000 0.430 10 F N 1.510 121.272 119.950 -0.314 0.000 2.102 10 F HA -0.241 4.286 4.527 0.001 0.000 0.298 10 F C 2.189 177.970 175.800 -0.031 0.000 1.105 10 F CA 1.491 59.393 58.000 -0.163 0.000 1.239 10 F CB -0.086 38.864 39.000 -0.083 0.000 0.991 10 F HN 0.061 nan 8.300 nan 0.000 0.474 11 Q N 0.253 120.046 119.800 -0.011 0.000 2.084 11 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 11 Q C 2.116 178.051 176.000 -0.109 0.000 0.978 11 Q CA 1.900 57.691 55.803 -0.019 0.000 0.844 11 Q CB -0.658 28.165 28.738 0.142 0.000 0.898 11 Q HN 0.585 nan 8.270 nan 0.000 0.426 12 E N 0.852 120.983 120.200 -0.115 0.000 2.110 12 E HA -0.124 4.227 4.350 0.001 0.000 0.193 12 E C 1.925 178.378 176.600 -0.245 0.000 0.988 12 E CA 0.967 57.273 56.400 -0.155 0.000 0.804 12 E CB -0.041 29.581 29.700 -0.130 0.000 0.745 12 E HN 0.359 nan 8.360 nan 0.000 0.458 13 A N 0.753 123.410 122.820 -0.272 0.000 1.930 13 A HA -0.103 4.218 4.320 0.001 0.000 0.215 13 A C 2.084 179.427 177.584 -0.403 0.000 1.176 13 A CA 0.609 52.466 52.037 -0.299 0.000 0.632 13 A CB -0.407 18.450 19.000 -0.238 0.000 0.819 13 A HN 0.201 nan 8.150 nan 0.000 0.445 14 L N 0.920 121.844 121.223 -0.498 0.000 2.042 14 L HA -0.181 4.159 4.340 0.001 0.000 0.210 14 L C 2.814 179.389 176.870 -0.492 0.000 1.076 14 L CA 2.691 57.232 54.840 -0.499 0.000 0.749 14 L CB -0.577 41.136 42.059 -0.575 0.000 0.893 14 L HN 0.524 nan 8.230 nan 0.000 0.432 15 S N -1.225 114.178 115.700 -0.496 0.000 2.423 15 S HA -0.195 4.276 4.470 0.001 0.000 0.231 15 S C 2.168 176.041 174.600 -1.213 0.000 1.014 15 S CA 0.816 58.401 58.200 -1.025 0.000 0.965 15 S CB -0.530 62.386 63.200 -0.473 0.000 0.785 15 S HN 0.511 nan 8.310 nan 0.000 0.495 16 R N 0.464 120.532 120.500 -0.721 0.000 2.148 16 R HA 0.038 4.379 4.340 0.001 0.000 0.227 16 R C 2.586 178.512 176.300 -0.625 0.000 1.103 16 R CA 1.303 57.049 56.100 -0.591 0.000 0.983 16 R CB -0.129 29.930 30.300 -0.402 0.000 0.874 16 R HN 0.531 nan 8.270 nan 0.000 0.451 17 Q N -0.112 119.285 119.800 -0.672 0.000 2.020 17 Q HA -0.170 4.171 4.340 0.001 0.000 0.198 17 Q C 2.072 177.492 176.000 -0.966 0.000 0.974 17 Q CA 1.430 56.777 55.803 -0.760 0.000 0.829 17 Q CB -0.477 27.882 28.738 -0.632 0.000 0.894 17 Q HN 0.604 nan 8.270 nan 0.000 0.433 18 W N 1.202 122.115 121.300 -0.644 0.000 2.467 18 W HA -0.033 4.628 4.660 0.001 0.000 0.275 18 W C 1.319 177.647 176.519 -0.317 0.000 1.239 18 W CA 0.493 57.551 57.345 -0.480 0.000 1.266 18 W CB -0.635 28.621 29.460 -0.340 0.000 1.112 18 W HN 0.200 nan 8.180 nan 0.000 0.576 19 Q N 0.857 120.260 119.800 -0.663 0.000 2.119 19 Q HA -0.147 4.194 4.340 0.001 0.000 0.201 19 Q C 2.482 178.323 176.000 -0.264 0.000 0.972 19 Q CA 1.622 57.176 55.803 -0.415 0.000 0.847 19 Q CB -0.403 27.987 28.738 -0.579 0.000 0.903 19 Q HN 0.245 nan 8.270 nan 0.000 0.433 20 R N -0.167 120.106 120.500 -0.378 0.000 2.189 20 R HA -0.125 4.216 4.340 0.001 0.000 0.223 20 R C 0.877 177.124 176.300 -0.088 0.000 1.092 20 R CA 0.897 56.838 56.100 -0.264 0.000 0.989 20 R CB 0.179 30.279 30.300 -0.333 0.000 0.876 20 R HN 0.285 nan 8.270 nan 0.000 0.457 21 Y N -0.427 119.831 120.300 -0.069 0.000 2.529 21 Y HA 0.262 4.813 4.550 0.001 0.000 0.290 21 Y C 1.448 177.342 175.900 -0.010 0.000 1.177 21 Y CA 0.176 58.254 58.100 -0.037 0.000 1.305 21 Y CB -0.087 38.355 38.460 -0.030 0.000 1.047 21 Y HN 0.284 nan 8.280 nan 0.000 0.522 22 G N 0.651 109.525 108.800 0.123 0.000 2.198 22 G HA2 -0.260 3.701 3.960 0.001 0.000 0.257 22 G HA3 -0.260 3.701 3.960 0.001 0.000 0.257 22 G C -0.161 174.813 174.900 0.123 0.000 1.042 22 G CA 0.080 45.236 45.100 0.093 0.000 0.791 22 G HN 0.281 nan 8.290 nan 0.000 0.502 23 L N -0.720 120.621 121.223 0.197 0.000 2.352 23 L HA 0.454 4.795 4.340 0.001 0.000 0.269 23 L C 1.194 178.201 176.870 0.230 0.000 1.034 23 L CA -1.249 53.700 54.840 0.182 0.000 0.806 23 L CB 0.917 43.080 42.059 0.173 0.000 1.244 23 L HN -0.009 nan 8.230 nan 0.000 0.447 24 N N 0.002 118.745 118.700 0.072 0.000 2.424 24 N HA -0.004 4.737 4.740 0.001 0.000 0.178 24 N C 0.005 175.389 175.510 -0.210 0.000 1.060 24 N CA 0.352 53.431 53.050 0.048 0.000 0.901 24 N CB 0.384 38.871 38.487 0.000 0.000 0.979 24 N HN 0.688 nan 8.380 nan 0.000 0.451 25 S N -2.289 113.062 115.700 -0.582 0.000 2.615 25 S HA 0.609 5.080 4.470 0.001 0.000 0.268 25 S C 0.503 174.305 174.600 -1.330 0.000 1.146 25 S CA -0.320 57.105 58.200 -1.291 0.000 0.818 25 S CB 1.116 63.959 63.200 -0.595 0.000 1.111 25 S HN -0.008 nan 8.310 nan 0.000 0.465 26 A N 1.135 123.012 122.820 -1.572 0.000 1.940 26 A HA 0.244 4.565 4.320 0.001 0.000 0.219 26 A C 2.298 179.658 177.584 -0.373 0.000 1.176 26 A CA 2.183 53.611 52.037 -1.014 0.000 0.631 26 A CB -1.594 17.036 19.000 -0.618 0.000 0.814 26 A HN 1.762 nan 8.150 nan 0.000 0.446 27 A N -0.161 122.593 122.820 -0.111 0.000 2.019 27 A HA -0.163 4.158 4.320 0.001 0.000 0.219 27 A C 1.797 179.418 177.584 0.061 0.000 1.164 27 A CA 1.522 53.635 52.037 0.126 0.000 0.644 27 A CB -0.479 18.568 19.000 0.078 0.000 0.805 27 A HN 0.677 nan 8.150 nan 0.000 0.449 28 E N -0.641 119.503 120.200 -0.092 0.000 2.347 28 E HA -0.003 4.348 4.350 0.001 0.000 0.196 28 E C 0.376 176.959 176.600 -0.029 0.000 1.008 28 E CA -0.113 56.258 56.400 -0.049 0.000 0.852 28 E CB -0.181 29.475 29.700 -0.073 0.000 0.783 28 E HN 0.646 nan 8.360 nan 0.000 0.505 29 M N 1.631 121.160 119.600 -0.118 0.000 2.252 29 M HA -0.026 4.455 4.480 0.001 0.000 0.321 29 M C 0.785 177.124 176.300 0.065 0.000 1.070 29 M CA 0.362 55.577 55.300 -0.142 0.000 1.143 29 M CB 0.440 32.681 32.600 -0.599 0.000 1.498 29 M HN 0.007 nan 8.290 nan 0.000 0.445 30 T N -0.297 114.289 114.554 0.054 0.000 2.849 30 T HA 0.249 4.600 4.350 0.001 0.000 0.284 30 T C -2.077 172.783 174.700 0.266 0.000 1.004 30 T CA -1.670 60.510 62.100 0.134 0.000 1.021 30 T CB 0.540 69.442 68.868 0.058 0.000 1.013 30 T HN 0.390 nan 8.240 nan 0.000 0.527 31 P HA -0.147 nan 4.420 nan 0.000 0.216 31 P C 1.650 179.125 177.300 0.291 0.000 1.157 31 P CA 1.231 64.494 63.100 0.270 0.000 0.880 31 P CB 0.034 31.829 31.700 0.158 0.000 0.791 32 R N -0.320 120.298 120.500 0.197 0.000 2.090 32 R HA -0.116 4.224 4.340 0.001 0.000 0.228 32 R C 2.317 178.741 176.300 0.206 0.000 1.110 32 R CA 1.322 57.546 56.100 0.207 0.000 0.973 32 R CB -0.393 29.963 30.300 0.093 0.000 0.869 32 R HN 0.212 nan 8.270 nan 0.000 0.440 33 Q N -0.875 118.973 119.800 0.080 0.000 2.084 33 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 33 Q C 1.741 177.826 176.000 0.141 0.000 0.978 33 Q CA 1.949 57.733 55.803 -0.032 0.000 0.844 33 Q CB -0.218 28.392 28.738 -0.213 0.000 0.898 33 Q HN 0.448 nan 8.270 nan 0.000 0.426 34 W N -0.203 121.181 121.300 0.139 0.000 2.317 34 W HA -0.260 4.401 4.660 0.001 0.000 0.318 34 W C 2.116 178.716 176.519 0.134 0.000 1.227 34 W CA 1.049 58.469 57.345 0.125 0.000 1.269 34 W CB -0.488 29.041 29.460 0.114 0.000 1.155 34 W HN 0.345 nan 8.180 nan 0.000 0.484 35 W N 0.464 121.958 121.300 0.322 0.000 2.355 35 W HA -0.195 4.466 4.660 0.001 0.000 0.309 35 W C 2.025 178.629 176.519 0.142 0.000 1.206 35 W CA 2.066 59.540 57.345 0.214 0.000 1.284 35 W CB -0.830 28.735 29.460 0.174 0.000 1.145 35 W HN -0.209 nan 8.180 nan 0.000 0.502 36 L N 0.786 121.985 121.223 -0.040 0.000 2.012 36 L HA -0.246 4.095 4.340 0.001 0.000 0.210 36 L C 2.793 179.505 176.870 -0.263 0.000 1.073 36 L CA 1.776 56.431 54.840 -0.309 0.000 0.748 36 L CB -1.573 40.487 42.059 0.002 0.000 0.891 36 L HN 0.132 nan 8.230 nan 0.000 0.431 37 A N -0.213 122.571 122.820 -0.060 0.000 1.883 37 A HA -0.213 4.108 4.320 0.001 0.000 0.217 37 A C 2.424 179.883 177.584 -0.207 0.000 1.186 37 A CA 2.090 54.032 52.037 -0.157 0.000 0.624 37 A CB -1.088 17.805 19.000 -0.178 0.000 0.822 37 A HN 0.318 nan 8.150 nan 0.000 0.444 38 V N -0.934 118.927 119.914 -0.088 0.000 2.427 38 V HA -0.156 3.965 4.120 0.001 0.000 0.248 38 V C 2.185 178.202 176.094 -0.128 0.000 1.051 38 V CA 2.977 65.281 62.300 0.007 0.000 1.048 38 V CB -0.651 31.357 31.823 0.308 0.000 0.666 38 V HN 0.436 nan 8.190 nan 0.000 0.456 39 S N 0.062 115.509 115.700 -0.420 0.000 2.355 39 S HA -0.122 4.349 4.470 0.001 0.000 0.222 39 S C 1.882 175.960 174.600 -0.869 0.000 1.031 39 S CA 1.674 59.451 58.200 -0.704 0.000 0.993 39 S CB -0.363 62.193 63.200 -1.073 0.000 0.859 39 S HN 0.765 nan 8.310 nan 0.000 0.453 40 E N 1.386 121.190 120.200 -0.659 0.000 2.106 40 E HA -0.082 4.269 4.350 0.001 0.000 0.192 40 E C 2.366 178.732 176.600 -0.390 0.000 0.984 40 E CA 0.958 57.038 56.400 -0.532 0.000 0.806 40 E CB -0.278 29.195 29.700 -0.379 0.000 0.750 40 E HN 0.483 nan 8.360 nan 0.000 0.458 41 A N 1.466 124.100 122.820 -0.310 0.000 1.908 41 A HA -0.170 4.151 4.320 0.001 0.000 0.218 41 A C 2.261 179.807 177.584 -0.064 0.000 1.181 41 A CA 1.149 53.059 52.037 -0.212 0.000 0.627 41 A CB -0.635 18.194 19.000 -0.286 0.000 0.818 41 A HN 0.136 nan 8.150 nan 0.000 0.445 42 L N -1.073 120.125 121.223 -0.040 0.000 2.109 42 L HA -0.106 4.235 4.340 0.001 0.000 0.207 42 L C 3.047 179.938 176.870 0.035 0.000 1.086 42 L CA 0.823 55.763 54.840 0.168 0.000 0.760 42 L CB -0.497 41.744 42.059 0.303 0.000 0.910 42 L HN 0.418 nan 8.230 nan 0.000 0.437 43 A N -0.170 122.406 122.820 -0.407 0.000 1.972 43 A HA -0.219 4.102 4.320 0.001 0.000 0.219 43 A C 2.195 179.747 177.584 -0.052 0.000 1.169 43 A CA 1.566 53.450 52.037 -0.255 0.000 0.635 43 A CB -0.365 18.322 19.000 -0.520 0.000 0.810 43 A HN 0.429 nan 8.150 nan 0.000 0.446 44 E N -0.825 119.323 120.200 -0.088 0.000 2.072 44 E HA -0.158 4.193 4.350 0.001 0.000 0.191 44 E C 2.076 178.694 176.600 0.030 0.000 0.985 44 E CA 1.373 57.743 56.400 -0.049 0.000 0.801 44 E CB -0.213 29.430 29.700 -0.094 0.000 0.750 44 E HN 0.684 nan 8.360 nan 0.000 0.452 45 M N 0.183 119.843 119.600 0.100 0.000 2.175 45 M HA -0.145 4.336 4.480 0.001 0.000 0.264 45 M C 2.374 178.834 176.300 0.266 0.000 1.063 45 M CA 0.832 56.250 55.300 0.197 0.000 1.119 45 M CB -0.128 32.666 32.600 0.324 0.000 1.377 45 M HN 0.115 nan 8.290 nan 0.000 0.415 46 L N 0.517 121.893 121.223 0.255 0.000 2.046 46 L HA -0.158 4.182 4.340 0.001 0.000 0.208 46 L C 2.295 179.238 176.870 0.122 0.000 1.077 46 L CA 1.914 56.856 54.840 0.170 0.000 0.747 46 L CB -0.329 41.829 42.059 0.164 0.000 0.896 46 L HN 0.137 nan 8.230 nan 0.000 0.432 47 R N -0.748 119.813 120.500 0.101 0.000 2.236 47 R HA 0.118 4.459 4.340 0.001 0.000 0.208 47 R C 1.904 178.238 176.300 0.058 0.000 1.036 47 R CA 0.692 56.834 56.100 0.071 0.000 1.001 47 R CB -0.342 29.987 30.300 0.049 0.000 0.896 47 R HN 0.436 nan 8.270 nan 0.000 0.464 48 A N 0.720 123.578 122.820 0.063 0.000 2.238 48 A HA 0.021 4.341 4.320 0.001 0.000 0.208 48 A C 0.425 178.049 177.584 0.067 0.000 1.177 48 A CA 0.223 52.288 52.037 0.048 0.000 0.804 48 A CB 0.146 19.162 19.000 0.028 0.000 0.823 48 A HN 0.076 nan 8.150 nan 0.000 0.482 49 Q N 0.806 120.662 119.800 0.093 0.000 2.299 49 Q HA 0.349 4.690 4.340 0.001 0.000 0.246 49 Q C -2.401 173.651 176.000 0.086 0.000 0.935 49 Q CA -1.820 54.041 55.803 0.097 0.000 0.887 49 Q CB 0.082 28.883 28.738 0.105 0.000 1.223 49 Q HN 0.207 nan 8.270 nan 0.000 0.439 50 P HA 0.047 nan 4.420 nan 0.000 0.269 50 P C -0.540 176.827 177.300 0.112 0.000 1.209 50 P CA -0.309 62.850 63.100 0.098 0.000 0.776 50 P CB 0.207 31.950 31.700 0.072 0.000 0.876 51 F N 2.370 122.321 119.950 0.000 0.000 2.543 51 F HA 0.340 4.867 4.527 0.001 0.000 0.375 51 F C 0.068 175.865 175.800 -0.005 0.000 1.075 51 F CA -0.395 57.602 58.000 -0.005 0.000 1.225 51 F CB 0.078 39.073 39.000 -0.008 0.000 1.099 51 F HN 0.365 nan 8.300 nan 0.000 0.561 52 A N 7.478 129.893 122.820 -0.674 0.000 2.260 52 A HA 0.458 4.779 4.320 0.001 0.000 0.314 52 A C -0.612 176.403 177.584 -0.949 0.000 1.257 52 A CA -0.978 50.724 52.037 -0.559 0.000 0.871 52 A CB 0.255 19.066 19.000 -0.315 0.000 1.166 52 A HN 0.809 nan 8.150 nan 0.000 0.522 53 K N 3.135 123.167 120.400 -0.613 0.000 2.270 53 K HA 0.556 4.877 4.320 0.001 0.000 0.276 53 K C -2.604 173.879 176.600 -0.195 0.000 1.023 53 K CA -1.164 54.889 56.287 -0.391 0.000 0.955 53 K CB 0.142 32.688 32.500 0.076 0.000 0.975 53 K HN 0.350 nan 8.250 nan 0.000 0.471 54 P HA 0.032 nan 4.420 nan 0.000 0.274 54 P C -0.571 176.732 177.300 0.006 0.000 1.256 54 P CA -0.785 62.295 63.100 -0.033 0.000 0.795 54 P CB 0.421 32.139 31.700 0.030 0.000 1.038 55 V N 0.499 120.418 119.914 0.007 0.000 2.720 55 V HA 0.134 4.255 4.120 0.001 0.000 0.307 55 V C 1.007 177.125 176.094 0.040 0.000 1.071 55 V CA 0.348 62.659 62.300 0.019 0.000 1.199 55 V CB -0.395 31.439 31.823 0.019 0.000 0.900 55 V HN 0.764 nan 8.190 nan 0.000 0.494 56 A N 4.036 126.879 122.820 0.039 0.000 2.313 56 A HA 0.441 4.762 4.320 0.001 0.000 0.261 56 A C 0.780 178.390 177.584 0.042 0.000 1.090 56 A CA -0.039 52.027 52.037 0.049 0.000 0.807 56 A CB -0.369 18.657 19.000 0.044 0.000 1.055 56 A HN 1.148 nan 8.150 nan 0.000 0.492 57 N N -0.731 117.997 118.700 0.046 0.000 2.705 57 N HA -0.211 4.530 4.740 0.001 0.000 0.255 57 N C -0.464 175.053 175.510 0.011 0.000 1.008 57 N CA 1.213 54.277 53.050 0.023 0.000 0.742 57 N CB -1.309 37.183 38.487 0.009 0.000 0.906 57 N HN 0.808 nan 8.380 nan 0.000 0.541 58 Q N -1.131 118.689 119.800 0.033 0.000 2.544 58 Q HA 0.542 4.882 4.340 0.001 0.000 0.291 58 Q C -0.792 175.237 176.000 0.049 0.000 1.068 58 Q CA -1.258 54.563 55.803 0.031 0.000 0.785 58 Q CB 1.729 30.499 28.738 0.052 0.000 1.481 58 Q HN 0.118 nan 8.270 nan 0.000 0.430 59 R N 0.465 120.991 120.500 0.045 0.000 2.543 59 R HA 0.195 4.535 4.340 0.001 0.000 0.277 59 R C -0.398 175.961 176.300 0.097 0.000 1.074 59 R CA -0.551 55.591 56.100 0.070 0.000 1.076 59 R CB 0.207 30.532 30.300 0.043 0.000 0.993 59 R HN 0.572 nan 8.270 nan 0.000 0.459 60 H N 1.097 120.188 119.070 0.034 0.000 2.764 60 H HA 0.131 4.688 4.556 0.001 0.000 0.341 60 H C -0.642 174.639 175.328 -0.078 0.000 1.072 60 H CA 0.000 56.049 56.048 0.002 0.000 1.444 60 H CB 0.703 30.491 29.762 0.044 0.000 1.458 60 H HN 0.173 nan 8.280 nan 0.000 0.572 61 V N 5.942 125.552 119.914 -0.507 0.000 2.481 61 V HA 0.174 4.294 4.120 0.001 0.000 0.286 61 V C -0.152 175.713 176.094 -0.380 0.000 1.042 61 V CA -0.741 61.226 62.300 -0.556 0.000 0.928 61 V CB 1.308 32.572 31.823 -0.932 0.000 0.986 61 V HN 0.858 nan 8.190 nan 0.000 0.462 62 N N 3.905 122.525 118.700 -0.133 0.000 2.569 62 N HA 0.244 4.985 4.740 0.001 0.000 0.254 62 N C -1.360 174.264 175.510 0.191 0.000 1.004 62 N CA -0.329 52.820 53.050 0.165 0.000 0.904 62 N CB 1.691 40.367 38.487 0.314 0.000 1.165 62 N HN 0.707 nan 8.380 nan 0.000 0.513 63 Y N 3.074 123.438 120.300 0.107 0.000 2.404 63 Y HA 0.411 4.962 4.550 0.001 0.000 0.344 63 Y C -0.082 176.051 175.900 0.388 0.000 0.970 63 Y CA -0.585 57.627 58.100 0.186 0.000 1.180 63 Y CB 0.529 39.077 38.460 0.148 0.000 1.138 63 Y HN 0.362 nan 8.280 nan 0.000 0.510 64 I N 5.398 126.022 120.570 0.090 0.000 2.321 64 I HA 0.334 4.505 4.170 0.001 0.000 0.291 64 I C -0.168 176.017 176.117 0.113 0.000 0.998 64 I CA -0.392 61.048 61.300 0.232 0.000 1.227 64 I CB 1.207 39.330 38.000 0.205 0.000 1.368 64 I HN 0.479 nan 8.210 nan 0.000 0.466 65 S N 5.807 121.640 115.700 0.221 0.000 2.546 65 S HA 0.424 4.895 4.470 0.001 0.000 0.272 65 S C 0.566 175.217 174.600 0.085 0.000 1.140 65 S CA -0.682 57.529 58.200 0.019 0.000 0.920 65 S CB 1.861 64.823 63.200 -0.396 0.000 1.083 65 S HN 0.645 nan 8.310 nan 0.000 0.476 66 M N 2.166 121.833 119.600 0.111 0.000 2.374 66 M HA -0.001 4.480 4.480 0.001 0.000 0.264 66 M C 0.388 176.736 176.300 0.080 0.000 1.067 66 M CA 1.236 56.600 55.300 0.107 0.000 1.103 66 M CB -0.441 32.126 32.600 -0.054 0.000 1.402 66 M HN 0.699 nan 8.290 nan 0.000 0.444 67 E N -0.625 119.515 120.200 -0.101 0.000 2.293 67 E HA 0.536 4.887 4.350 0.001 0.000 0.270 67 E C -1.354 175.013 176.600 -0.389 0.000 0.879 67 E CA -0.691 55.640 56.400 -0.115 0.000 0.756 67 E CB 1.522 31.155 29.700 -0.111 0.000 1.208 67 E HN -0.030 nan 8.360 nan 0.000 0.428 68 F N 2.131 122.119 119.950 0.063 0.000 2.902 68 F HA 0.238 4.766 4.527 0.001 0.000 0.368 68 F C -0.916 174.867 175.800 -0.027 0.000 1.202 68 F CA -0.769 57.251 58.000 0.033 0.000 1.109 68 F CB 1.596 40.618 39.000 0.036 0.000 1.418 68 F HN 0.415 nan 8.300 nan 0.000 0.527 69 L N 5.728 127.004 121.223 0.088 0.000 2.466 69 L HA 0.361 4.701 4.340 0.001 0.000 0.248 69 L C 1.249 178.131 176.870 0.020 0.000 1.240 69 L CA 0.268 55.115 54.840 0.012 0.000 1.180 69 L CB -0.426 41.628 42.059 -0.009 0.000 1.413 69 L HN 0.643 nan 8.230 nan 0.000 0.406 70 I N -0.704 119.862 120.570 -0.006 0.000 2.676 70 I HA 0.301 4.472 4.170 0.001 0.000 0.259 70 I C 1.277 177.343 176.117 -0.086 0.000 1.194 70 I CA 0.481 61.761 61.300 -0.034 0.000 1.473 70 I CB -0.829 37.130 38.000 -0.068 0.000 1.096 70 I HN 0.532 nan 8.210 nan 0.000 0.443 71 G N 1.646 110.379 108.800 -0.111 0.000 2.750 71 G HA2 -0.254 3.707 3.960 0.001 0.000 0.228 71 G HA3 -0.254 3.707 3.960 0.001 0.000 0.228 71 G C -0.311 174.533 174.900 -0.093 0.000 1.367 71 G CA -0.285 44.746 45.100 -0.114 0.000 0.871 71 G HN 0.551 nan 8.290 nan 0.000 0.560 72 R N -0.823 119.644 120.500 -0.054 0.000 2.623 72 R HA 0.341 4.681 4.340 0.001 0.000 0.271 72 R C 0.929 177.242 176.300 0.022 0.000 1.043 72 R CA -0.359 55.765 56.100 0.039 0.000 1.083 72 R CB 0.315 30.644 30.300 0.049 0.000 0.974 72 R HN 0.332 nan 8.270 nan 0.000 0.436 73 L N 1.546 122.835 121.223 0.110 0.000 2.577 73 L HA 0.057 4.397 4.340 0.001 0.000 0.225 73 L C 1.919 178.712 176.870 -0.129 0.000 1.053 73 L CA 1.345 56.128 54.840 -0.094 0.000 0.866 73 L CB -0.290 41.633 42.059 -0.227 0.000 1.132 73 L HN 0.693 nan 8.230 nan 0.000 0.486 74 T N -0.433 114.243 114.554 0.203 0.000 2.665 74 T HA -0.166 4.184 4.350 0.001 0.000 0.268 74 T C 1.723 176.560 174.700 0.229 0.000 1.035 74 T CA 1.665 63.989 62.100 0.372 0.000 1.151 74 T CB -0.550 68.706 68.868 0.647 0.000 0.862 74 T HN 0.474 nan 8.240 nan 0.000 0.438 75 G N 0.938 109.870 108.800 0.220 0.000 2.402 75 G HA2 -0.238 3.723 3.960 0.001 0.000 0.216 75 G HA3 -0.238 3.723 3.960 0.001 0.000 0.216 75 G C 1.491 176.481 174.900 0.150 0.000 1.162 75 G CA 1.031 46.281 45.100 0.250 0.000 0.777 75 G HN 0.546 nan 8.290 nan 0.000 0.539 76 N N 0.982 119.691 118.700 0.016 0.000 2.149 76 N HA -0.142 4.599 4.740 0.001 0.000 0.188 76 N C 2.006 177.455 175.510 -0.101 0.000 1.019 76 N CA 1.755 54.761 53.050 -0.072 0.000 0.857 76 N CB -0.131 38.271 38.487 -0.143 0.000 0.997 76 N HN 0.191 nan 8.380 nan 0.000 0.426 77 N N 0.205 118.801 118.700 -0.173 0.000 2.135 77 N HA -0.046 4.695 4.740 0.001 0.000 0.186 77 N C 1.700 177.124 175.510 -0.143 0.000 1.027 77 N CA 0.674 53.570 53.050 -0.256 0.000 0.849 77 N CB -0.491 37.667 38.487 -0.548 0.000 1.002 77 N HN 0.282 nan 8.380 nan 0.000 0.425 78 L N 0.924 122.151 121.223 0.007 0.000 1.997 78 L HA -0.201 4.140 4.340 0.001 0.000 0.216 78 L C 2.422 179.343 176.870 0.084 0.000 1.074 78 L CA 1.139 56.036 54.840 0.095 0.000 0.763 78 L CB -0.647 41.529 42.059 0.195 0.000 0.890 78 L HN 0.173 nan 8.230 nan 0.000 0.434 79 L N -0.086 121.214 121.223 0.129 0.000 2.043 79 L HA -0.274 4.066 4.340 0.001 0.000 0.212 79 L C 2.283 179.141 176.870 -0.020 0.000 1.075 79 L CA 1.731 56.609 54.840 0.063 0.000 0.752 79 L CB -0.325 41.749 42.059 0.025 0.000 0.891 79 L HN 0.327 nan 8.230 nan 0.000 0.432 80 N N -0.178 118.484 118.700 -0.064 0.000 2.188 80 N HA -0.126 4.615 4.740 0.001 0.000 0.184 80 N C 1.772 177.100 175.510 -0.304 0.000 1.018 80 N CA 1.334 54.310 53.050 -0.124 0.000 0.858 80 N CB -0.310 38.127 38.487 -0.084 0.000 0.989 80 N HN 0.362 nan 8.380 nan 0.000 0.426 81 L N -0.668 120.350 121.223 -0.342 0.000 2.376 81 L HA 0.074 4.414 4.340 0.001 0.000 0.219 81 L C 0.958 177.640 176.870 -0.314 0.000 1.133 81 L CA 0.515 55.037 54.840 -0.530 0.000 0.816 81 L CB -0.538 40.870 42.059 -1.084 0.000 0.933 81 L HN 0.274 nan 8.230 nan 0.000 0.449 82 G N -1.292 107.424 108.800 -0.140 0.000 2.198 82 G HA2 -0.251 3.709 3.960 0.001 0.000 0.257 82 G HA3 -0.251 3.709 3.960 0.001 0.000 0.257 82 G C 0.034 175.101 174.900 0.278 0.000 1.042 82 G CA 0.096 45.215 45.100 0.031 0.000 0.791 82 G HN 0.384 nan 8.290 nan 0.000 0.502 83 W N -1.441 119.831 121.300 -0.047 0.000 2.998 83 W HA 0.377 5.038 4.660 0.001 0.000 0.336 83 W C 1.702 178.080 176.519 -0.234 0.000 1.112 83 W CA -0.665 56.584 57.345 -0.160 0.000 1.682 83 W CB -0.826 28.576 29.460 -0.096 0.000 1.065 83 W HN 0.346 nan 8.180 nan 0.000 0.570 84 Y N 2.114 122.431 120.300 0.029 0.000 2.040 84 Y HA -0.405 4.146 4.550 0.001 0.000 0.275 84 Y C 2.766 178.603 175.900 -0.105 0.000 1.171 84 Y CA 3.104 61.184 58.100 -0.033 0.000 1.123 84 Y CB -0.655 37.800 38.460 -0.008 0.000 0.963 84 Y HN 0.017 nan 8.280 nan 0.000 0.493 85 Q N 0.223 120.111 119.800 0.146 0.000 2.124 85 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 85 Q C 1.716 177.626 176.000 -0.151 0.000 0.977 85 Q CA 2.134 57.960 55.803 0.038 0.000 0.850 85 Q CB -0.334 28.432 28.738 0.047 0.000 0.901 85 Q HN 0.476 nan 8.270 nan 0.000 0.429 86 D N -0.825 119.396 120.400 -0.299 0.000 2.097 86 D HA -0.124 4.516 4.640 0.001 0.000 0.195 86 D C 1.871 177.743 176.300 -0.714 0.000 0.989 86 D CA 1.491 55.169 54.000 -0.536 0.000 0.827 86 D CB -0.102 40.137 40.800 -0.935 0.000 0.966 86 D HN 0.191 nan 8.370 nan 0.000 0.456 87 V N 0.839 120.239 119.914 -0.858 0.000 2.358 87 V HA -0.232 3.889 4.120 0.001 0.000 0.246 87 V C 2.594 178.431 176.094 -0.429 0.000 1.047 87 V CA 1.507 63.342 62.300 -0.775 0.000 1.035 87 V CB -0.516 30.929 31.823 -0.629 0.000 0.658 87 V HN 0.188 nan 8.190 nan 0.000 0.452 88 Q N -0.256 119.333 119.800 -0.352 0.000 2.096 88 Q HA -0.263 4.077 4.340 0.001 0.000 0.204 88 Q C 1.912 177.845 176.000 -0.113 0.000 0.982 88 Q CA 2.085 57.765 55.803 -0.205 0.000 0.850 88 Q CB -0.071 28.591 28.738 -0.126 0.000 0.901 88 Q HN 0.638 nan 8.270 nan 0.000 0.422 89 D N -0.703 119.624 120.400 -0.122 0.000 2.149 89 D HA -0.062 4.578 4.640 0.001 0.000 0.201 89 D C 1.876 178.172 176.300 -0.006 0.000 0.972 89 D CA 0.912 54.879 54.000 -0.056 0.000 0.835 89 D CB -0.114 40.652 40.800 -0.057 0.000 0.966 89 D HN 0.099 nan 8.370 nan 0.000 0.476 90 S N 0.140 115.827 115.700 -0.022 0.000 2.423 90 S HA 0.022 4.493 4.470 0.001 0.000 0.231 90 S C 1.988 176.774 174.600 0.309 0.000 1.014 90 S CA 0.294 58.583 58.200 0.148 0.000 0.965 90 S CB 0.059 63.356 63.200 0.161 0.000 0.785 90 S HN 0.243 nan 8.310 nan 0.000 0.495 91 L N 0.599 121.947 121.223 0.208 0.000 2.418 91 L HA 0.101 4.442 4.340 0.001 0.000 0.218 91 L C 2.146 179.135 176.870 0.199 0.000 1.125 91 L CA 0.583 55.602 54.840 0.299 0.000 0.835 91 L CB -0.190 41.939 42.059 0.116 0.000 0.953 91 L HN 0.173 nan 8.230 nan 0.000 0.454 92 K N 0.559 121.016 120.400 0.094 0.000 2.103 92 K HA -0.139 4.182 4.320 0.001 0.000 0.207 92 K C 1.988 178.602 176.600 0.023 0.000 1.048 92 K CA 1.376 57.684 56.287 0.035 0.000 0.930 92 K CB -0.166 32.342 32.500 0.012 0.000 0.716 92 K HN 0.277 nan 8.250 nan 0.000 0.444 93 A N -0.327 122.498 122.820 0.007 0.000 2.239 93 A HA -0.089 4.231 4.320 0.001 0.000 0.209 93 A C 0.857 178.299 177.584 -0.238 0.000 1.171 93 A CA 0.926 52.881 52.037 -0.137 0.000 0.768 93 A CB -0.279 18.578 19.000 -0.238 0.000 0.790 93 A HN 0.322 nan 8.150 nan 0.000 0.478 94 Y N -1.097 119.226 120.300 0.038 0.000 2.500 94 Y HA 0.169 4.720 4.550 0.001 0.000 0.246 94 Y C 0.005 175.867 175.900 -0.064 0.000 1.146 94 Y CA -0.378 57.751 58.100 0.048 0.000 1.230 94 Y CB 0.737 39.277 38.460 0.133 0.000 1.214 94 Y HN 0.353 nan 8.280 nan 0.000 0.526 95 D N 0.445 120.869 120.400 0.039 0.000 2.914 95 D HA -0.132 4.508 4.640 0.001 0.000 0.226 95 D C -0.824 175.402 176.300 -0.124 0.000 1.112 95 D CA 0.510 54.492 54.000 -0.031 0.000 0.778 95 D CB -1.226 39.564 40.800 -0.016 0.000 1.095 95 D HN 0.122 nan 8.370 nan 0.000 0.436 96 I N 1.178 121.652 120.570 -0.159 0.000 2.362 96 I HA 0.195 4.366 4.170 0.001 0.000 0.289 96 I C 0.733 176.766 176.117 -0.141 0.000 0.994 96 I CA -0.656 60.472 61.300 -0.286 0.000 1.158 96 I CB 1.391 39.059 38.000 -0.554 0.000 1.315 96 I HN -0.097 nan 8.210 nan 0.000 0.451 97 N N 4.822 123.457 118.700 -0.109 0.000 2.406 97 N HA 0.117 4.857 4.740 0.001 0.000 0.251 97 N C 1.059 176.546 175.510 -0.038 0.000 1.069 97 N CA -0.430 52.590 53.050 -0.050 0.000 0.947 97 N CB 0.831 39.303 38.487 -0.024 0.000 1.111 97 N HN 0.510 nan 8.380 nan 0.000 0.497 98 L N 3.662 124.863 121.223 -0.038 0.000 1.997 98 L HA -0.226 4.115 4.340 0.001 0.000 0.216 98 L C 1.847 178.740 176.870 0.037 0.000 1.074 98 L CA 2.046 56.864 54.840 -0.038 0.000 0.763 98 L CB -1.199 40.765 42.059 -0.157 0.000 0.890 98 L HN 0.679 nan 8.230 nan 0.000 0.434 99 T N -0.491 114.112 114.554 0.081 0.000 2.699 99 T HA -0.201 4.150 4.350 0.001 0.000 0.268 99 T C 1.482 176.236 174.700 0.091 0.000 1.036 99 T CA 1.721 63.895 62.100 0.123 0.000 1.147 99 T CB -0.379 68.555 68.868 0.110 0.000 0.862 99 T HN 0.424 nan 8.240 nan 0.000 0.446 100 D N 0.580 121.017 120.400 0.062 0.000 2.117 100 D HA -0.004 4.637 4.640 0.001 0.000 0.198 100 D C 1.976 178.318 176.300 0.070 0.000 0.982 100 D CA 0.375 54.407 54.000 0.054 0.000 0.828 100 D CB -0.526 40.290 40.800 0.028 0.000 0.967 100 D HN 0.158 nan 8.370 nan 0.000 0.464 101 L N 0.684 121.956 121.223 0.081 0.000 2.042 101 L HA -0.112 4.229 4.340 0.001 0.000 0.210 101 L C 1.999 179.015 176.870 0.243 0.000 1.076 101 L CA 1.415 56.349 54.840 0.157 0.000 0.749 101 L CB -0.555 41.590 42.059 0.143 0.000 0.893 101 L HN 0.043 nan 8.230 nan 0.000 0.432 102 L N -0.729 120.620 121.223 0.211 0.000 2.191 102 L HA -0.148 4.193 4.340 0.001 0.000 0.212 102 L C 2.236 179.134 176.870 0.047 0.000 1.103 102 L CA 0.886 55.860 54.840 0.223 0.000 0.769 102 L CB -0.677 41.508 42.059 0.209 0.000 0.908 102 L HN 0.332 nan 8.230 nan 0.000 0.438 103 E N -0.009 120.209 120.200 0.030 0.000 2.478 103 E HA -0.130 4.220 4.350 0.001 0.000 0.198 103 E C 1.555 178.100 176.600 -0.092 0.000 1.046 103 E CA 0.307 56.697 56.400 -0.017 0.000 0.870 103 E CB 0.053 29.774 29.700 0.034 0.000 0.818 103 E HN 0.472 nan 8.360 nan 0.000 0.527 104 E N 1.100 121.205 120.200 -0.158 0.000 2.338 104 E HA -0.097 4.254 4.350 0.001 0.000 0.197 104 E C 0.646 176.938 176.600 -0.512 0.000 1.007 104 E CA 0.312 56.573 56.400 -0.231 0.000 0.849 104 E CB -0.061 29.577 29.700 -0.103 0.000 0.774 104 E HN 0.373 nan 8.360 nan 0.000 0.506 105 E N 1.022 120.745 120.200 -0.795 0.000 2.299 105 E HA 0.089 4.439 4.350 0.001 0.000 0.272 105 E C -0.427 176.018 176.600 -0.258 0.000 1.043 105 E CA -0.201 55.707 56.400 -0.819 0.000 0.895 105 E CB 0.379 29.676 29.700 -0.671 0.000 1.011 105 E HN -0.020 nan 8.360 nan 0.000 0.432 106 I N 4.854 125.361 120.570 -0.105 0.000 2.416 106 I HA -0.002 4.168 4.170 0.001 0.000 0.288 106 I C 0.053 176.178 176.117 0.014 0.000 1.051 106 I CA -0.449 60.863 61.300 0.019 0.000 1.375 106 I CB 0.680 38.762 38.000 0.136 0.000 1.407 106 I HN 0.504 nan 8.210 nan 0.000 0.516 107 D N 8.687 129.055 120.400 -0.053 0.000 2.472 107 D HA 0.079 4.719 4.640 0.001 0.000 0.237 107 D C -2.243 173.873 176.300 -0.305 0.000 1.141 107 D CA -0.946 52.977 54.000 -0.128 0.000 0.875 107 D CB 0.012 40.719 40.800 -0.155 0.000 1.192 107 D HN 0.206 nan 8.370 nan 0.000 0.450 108 P HA 0.103 nan 4.420 nan 0.000 0.265 108 P C -0.812 175.798 177.300 -1.150 0.000 1.193 108 P CA 0.075 62.300 63.100 -1.458 0.000 0.765 108 P CB 0.542 31.428 31.700 -1.358 0.000 0.823 109 A N 4.243 126.161 122.820 -1.504 0.000 3.016 109 A HA 0.270 4.591 4.320 0.001 0.000 0.303 109 A C 0.520 177.900 177.584 -0.341 0.000 1.507 109 A CA -0.098 51.572 52.037 -0.611 0.000 1.196 109 A CB -1.018 17.796 19.000 -0.309 0.000 1.169 109 A HN 0.584 nan 8.150 nan 0.000 0.544 110 L N 0.772 121.839 121.223 -0.260 0.000 2.858 110 L HA 0.380 4.721 4.340 0.001 0.000 0.251 110 L C 1.025 177.935 176.870 0.066 0.000 1.149 110 L CA 0.230 55.087 54.840 0.029 0.000 0.955 110 L CB 0.644 42.692 42.059 -0.018 0.000 1.289 110 L HN 0.655 nan 8.230 nan 0.000 0.542 111 G N -1.075 107.687 108.800 -0.063 0.000 2.788 111 G HA2 0.270 4.231 3.960 0.001 0.000 0.293 111 G HA3 0.270 4.231 3.960 0.001 0.000 0.293 111 G C -0.481 174.360 174.900 -0.099 0.000 1.392 111 G CA -0.080 44.976 45.100 -0.074 0.000 0.810 111 G HN -0.137 nan 8.290 nan 0.000 0.508 112 N N -2.235 116.442 118.700 -0.039 0.000 2.575 112 N HA 0.290 5.030 4.740 0.001 0.000 0.258 112 N C 0.758 176.294 175.510 0.044 0.000 1.019 112 N CA 1.352 54.413 53.050 0.018 0.000 0.909 112 N CB 0.751 39.342 38.487 0.174 0.000 1.728 112 N HN 0.979 nan 8.380 nan 0.000 0.604 113 G N -1.252 107.584 108.800 0.060 0.000 2.976 113 G HA2 0.408 4.369 3.960 0.001 0.000 0.276 113 G HA3 0.408 4.369 3.960 0.001 0.000 0.276 113 G C 0.569 175.482 174.900 0.021 0.000 1.207 113 G CA 0.124 45.258 45.100 0.057 0.000 0.803 113 G HN 0.213 nan 8.290 nan 0.000 0.572 114 G N -0.179 108.633 108.800 0.020 0.000 2.475 114 G HA2 -0.091 3.870 3.960 0.001 0.000 0.220 114 G HA3 -0.091 3.870 3.960 0.001 0.000 0.220 114 G C 1.763 176.628 174.900 -0.058 0.000 1.125 114 G CA 1.655 46.745 45.100 -0.016 0.000 0.755 114 G HN 0.618 nan 8.290 nan 0.000 0.565 115 L N 1.388 122.567 121.223 -0.073 0.000 2.027 115 L HA 0.193 4.534 4.340 0.001 0.000 0.206 115 L C 2.718 179.493 176.870 -0.158 0.000 1.074 115 L CA 2.483 57.219 54.840 -0.174 0.000 0.745 115 L CB -1.012 40.922 42.059 -0.207 0.000 0.898 115 L HN 0.118 nan 8.230 nan 0.000 0.433 116 G N -1.112 107.628 108.800 -0.101 0.000 2.422 116 G HA2 -0.289 3.672 3.960 0.001 0.000 0.218 116 G HA3 -0.289 3.672 3.960 0.001 0.000 0.218 116 G C 1.742 176.597 174.900 -0.075 0.000 1.140 116 G CA 0.695 45.717 45.100 -0.130 0.000 0.775 116 G HN 0.354 nan 8.290 nan 0.000 0.545 117 R N -0.201 120.273 120.500 -0.042 0.000 2.115 117 R HA 0.127 4.468 4.340 0.001 0.000 0.226 117 R C 2.284 178.560 176.300 -0.039 0.000 1.100 117 R CA 0.744 56.848 56.100 0.007 0.000 0.980 117 R CB -0.689 29.638 30.300 0.044 0.000 0.875 117 R HN 0.348 nan 8.270 nan 0.000 0.445 118 L N -0.029 121.096 121.223 -0.165 0.000 2.027 118 L HA 0.068 4.409 4.340 0.001 0.000 0.206 118 L C 2.090 178.659 176.870 -0.503 0.000 1.074 118 L CA 2.120 56.710 54.840 -0.416 0.000 0.745 118 L CB -0.926 40.861 42.059 -0.455 0.000 0.898 118 L HN 0.226 nan 8.230 nan 0.000 0.433 119 A N -0.410 122.260 122.820 -0.249 0.000 1.917 119 A HA -0.233 4.088 4.320 0.001 0.000 0.219 119 A C 2.435 180.110 177.584 0.153 0.000 1.182 119 A CA 2.216 54.223 52.037 -0.050 0.000 0.633 119 A CB -1.252 17.632 19.000 -0.193 0.000 0.819 119 A HN 0.596 nan 8.150 nan 0.000 0.448 120 A N -1.165 121.754 122.820 0.164 0.000 1.873 120 A HA -0.144 4.177 4.320 0.001 0.000 0.215 120 A C 2.339 180.003 177.584 0.134 0.000 1.186 120 A CA 1.604 53.759 52.037 0.196 0.000 0.616 120 A CB -1.320 17.771 19.000 0.152 0.000 0.823 120 A HN 0.608 nan 8.150 nan 0.000 0.442 121 C N -1.288 118.088 119.300 0.127 0.000 2.413 121 C HA -0.118 4.343 4.460 0.001 0.000 0.276 121 C C 2.465 177.641 174.990 0.310 0.000 1.236 121 C CA 0.866 60.004 59.018 0.201 0.000 1.735 121 C CB -1.634 26.238 27.740 0.220 0.000 2.031 121 C HN 0.612 nan 8.230 nan 0.000 0.474 122 F N 0.952 120.907 119.950 0.008 0.000 2.134 122 F HA -0.070 4.458 4.527 0.001 0.000 0.299 122 F C 2.274 178.016 175.800 -0.095 0.000 1.097 122 F CA 0.946 58.901 58.000 -0.074 0.000 1.264 122 F CB -1.474 37.363 39.000 -0.271 0.000 1.001 122 F HN 0.213 nan 8.300 nan 0.000 0.479 123 L N -0.337 120.960 121.223 0.122 0.000 2.017 123 L HA -0.238 4.103 4.340 0.001 0.000 0.208 123 L C 2.430 179.308 176.870 0.014 0.000 1.073 123 L CA 1.925 56.780 54.840 0.025 0.000 0.745 123 L CB -0.753 41.311 42.059 0.009 0.000 0.894 123 L HN 0.174 nan 8.230 nan 0.000 0.432 124 D N -0.226 120.198 120.400 0.041 0.000 2.123 124 D HA -0.170 4.470 4.640 0.001 0.000 0.196 124 D C 2.043 178.356 176.300 0.022 0.000 0.992 124 D CA 1.628 55.636 54.000 0.013 0.000 0.833 124 D CB 0.331 41.136 40.800 0.008 0.000 0.954 124 D HN 0.217 nan 8.370 nan 0.000 0.455 125 S N 0.124 115.859 115.700 0.058 0.000 2.356 125 S HA -0.143 4.327 4.470 0.001 0.000 0.223 125 S C 2.193 176.801 174.600 0.013 0.000 1.032 125 S CA 1.180 59.404 58.200 0.040 0.000 1.005 125 S CB -0.220 63.017 63.200 0.061 0.000 0.867 125 S HN 0.360 nan 8.310 nan 0.000 0.449 126 M N 1.133 120.734 119.600 0.001 0.000 2.108 126 M HA -0.154 4.327 4.480 0.001 0.000 0.261 126 M C 2.487 178.768 176.300 -0.031 0.000 1.066 126 M CA 1.584 56.873 55.300 -0.018 0.000 1.107 126 M CB -0.658 31.907 32.600 -0.059 0.000 1.356 126 M HN 0.402 nan 8.290 nan 0.000 0.406 127 A N -0.364 122.433 122.820 -0.038 0.000 1.933 127 A HA -0.132 4.188 4.320 0.001 0.000 0.218 127 A C 2.211 179.775 177.584 -0.034 0.000 1.175 127 A CA 2.130 54.138 52.037 -0.048 0.000 0.628 127 A CB -1.024 17.941 19.000 -0.058 0.000 0.814 127 A HN 0.439 nan 8.150 nan 0.000 0.444 128 T N -0.309 114.239 114.554 -0.010 0.000 2.821 128 T HA -0.058 4.293 4.350 0.001 0.000 0.267 128 T C 1.596 176.300 174.700 0.006 0.000 1.046 128 T CA 1.689 63.797 62.100 0.012 0.000 1.139 128 T CB -0.352 68.534 68.868 0.031 0.000 0.871 128 T HN 0.609 nan 8.240 nan 0.000 0.454 129 V N -0.715 119.200 119.914 0.002 0.000 3.499 129 V HA 0.563 4.684 4.120 0.001 0.000 0.308 129 V C 1.366 177.458 176.094 -0.003 0.000 1.319 129 V CA 0.075 62.377 62.300 0.003 0.000 1.194 129 V CB -1.053 30.776 31.823 0.011 0.000 1.072 129 V HN 0.483 nan 8.190 nan 0.000 0.426 130 G N 0.826 109.615 108.800 -0.018 0.000 2.225 130 G HA2 -0.352 3.609 3.960 0.001 0.000 0.267 130 G HA3 -0.352 3.609 3.960 0.001 0.000 0.267 130 G C 0.141 175.035 174.900 -0.010 0.000 1.024 130 G CA 0.689 45.773 45.100 -0.027 0.000 0.784 130 G HN 0.985 nan 8.290 nan 0.000 0.507 131 Q N 0.997 120.793 119.800 -0.008 0.000 2.344 131 Q HA 0.563 4.904 4.340 0.001 0.000 0.253 131 Q C 0.641 176.606 176.000 -0.058 0.000 1.050 131 Q CA 0.199 55.998 55.803 -0.006 0.000 0.912 131 Q CB 0.599 29.348 28.738 0.019 0.000 1.258 131 Q HN 0.377 nan 8.270 nan 0.000 0.443 132 S N 3.096 118.779 115.700 -0.029 0.000 2.575 132 S HA 0.477 4.948 4.470 0.001 0.000 0.295 132 S C -0.834 173.542 174.600 -0.372 0.000 1.267 132 S CA 0.527 58.707 58.200 -0.033 0.000 1.074 132 S CB -0.409 62.908 63.200 0.196 0.000 0.829 132 S HN 0.786 nan 8.310 nan 0.000 0.497 133 A N 4.220 126.737 122.820 -0.505 0.000 2.608 133 A HA 0.694 5.015 4.320 0.001 0.000 0.292 133 A C -0.733 176.612 177.584 -0.398 0.000 1.066 133 A CA -0.776 50.847 52.037 -0.691 0.000 0.676 133 A CB 1.688 20.456 19.000 -0.386 0.000 1.277 133 A HN 0.637 nan 8.150 nan 0.000 0.413 134 T N 0.740 115.121 114.554 -0.288 0.000 2.881 134 T HA 0.636 4.987 4.350 0.001 0.000 0.290 134 T C 0.198 174.731 174.700 -0.278 0.000 1.000 134 T CA 0.108 62.064 62.100 -0.241 0.000 0.978 134 T CB 1.710 70.435 68.868 -0.238 0.000 0.997 134 T HN 1.350 nan 8.240 nan 0.000 0.443 135 G N 1.505 110.115 108.800 -0.316 0.000 2.372 135 G HA2 0.541 4.501 3.960 0.001 0.000 0.283 135 G HA3 0.541 4.501 3.960 0.001 0.000 0.283 135 G C -1.443 173.237 174.900 -0.366 0.000 1.177 135 G CA -0.218 44.748 45.100 -0.223 0.000 0.842 135 G HN 0.621 nan 8.290 nan 0.000 0.503 136 Y N 1.114 121.510 120.300 0.160 0.000 2.338 136 Y HA 0.585 5.136 4.550 0.001 0.000 0.328 136 Y C 0.770 176.928 175.900 0.429 0.000 0.965 136 Y CA -0.240 57.984 58.100 0.206 0.000 1.208 136 Y CB 2.161 40.798 38.460 0.295 0.000 1.132 136 Y HN 0.821 nan 8.280 nan 0.000 0.469 137 G N 2.061 111.123 108.800 0.437 0.000 3.135 137 G HA2 0.707 4.668 3.960 0.001 0.000 0.278 137 G HA3 0.707 4.668 3.960 0.001 0.000 0.278 137 G C -1.742 173.329 174.900 0.285 0.000 1.302 137 G CA -0.982 44.419 45.100 0.501 0.000 0.880 137 G HN 0.376 nan 8.290 nan 0.000 0.574 138 L N 0.466 121.734 121.223 0.076 0.000 2.329 138 L HA 0.401 4.742 4.340 0.001 0.000 0.279 138 L C 0.082 176.767 176.870 -0.309 0.000 1.014 138 L CA -0.588 54.162 54.840 -0.152 0.000 0.814 138 L CB 2.098 43.884 42.059 -0.455 0.000 1.257 138 L HN 0.592 nan 8.230 nan 0.000 0.424 139 N N 2.390 121.037 118.700 -0.089 0.000 3.124 139 N HA 0.114 4.855 4.740 0.001 0.000 0.284 139 N C -1.052 174.453 175.510 -0.008 0.000 1.209 139 N CA -0.524 52.524 53.050 -0.003 0.000 1.149 139 N CB 0.131 38.602 38.487 -0.026 0.000 1.434 139 N HN 0.334 nan 8.380 nan 0.000 0.529 140 Y N 0.985 121.406 120.300 0.203 0.000 2.632 140 Y HA -0.099 4.452 4.550 0.001 0.000 0.329 140 Y C 1.768 177.791 175.900 0.206 0.000 1.174 140 Y CA 0.090 58.285 58.100 0.160 0.000 1.469 140 Y CB 0.463 39.001 38.460 0.131 0.000 1.242 140 Y HN 0.453 nan 8.280 nan 0.000 0.540 141 Q N 2.074 121.943 119.800 0.115 0.000 2.084 141 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 141 Q C 0.063 175.933 176.000 -0.217 0.000 0.978 141 Q CA 1.761 57.403 55.803 -0.269 0.000 0.844 141 Q CB 0.040 28.393 28.738 -0.642 0.000 0.898 141 Q HN 0.863 nan 8.270 nan 0.000 0.426 142 Y N -1.230 119.228 120.300 0.264 0.000 2.707 142 Y HA 0.367 4.918 4.550 0.001 0.000 0.249 142 Y C 0.843 176.847 175.900 0.174 0.000 1.166 142 Y CA -0.024 58.208 58.100 0.220 0.000 1.184 142 Y CB 0.816 39.352 38.460 0.127 0.000 1.240 142 Y HN 0.275 nan 8.280 nan 0.000 0.547 143 G N 1.020 109.987 108.800 0.279 0.000 2.564 143 G HA2 -0.388 3.573 3.960 0.001 0.000 0.273 143 G HA3 -0.388 3.573 3.960 0.001 0.000 0.273 143 G C 0.688 175.566 174.900 -0.036 0.000 1.242 143 G CA 0.579 45.711 45.100 0.053 0.000 0.951 143 G HN 0.321 nan 8.290 nan 0.000 0.564 144 L N -0.094 121.085 121.223 -0.073 0.000 2.062 144 L HA 0.626 4.966 4.340 0.001 0.000 0.202 144 L C 0.907 177.907 176.870 0.216 0.000 1.079 144 L CA 2.752 57.588 54.840 -0.006 0.000 0.755 144 L CB -0.146 41.853 42.059 -0.100 0.000 0.913 144 L HN 1.437 nan 8.230 nan 0.000 0.445 145 F N -3.025 116.931 119.950 0.011 0.000 2.822 145 F HA 0.310 4.837 4.527 0.001 0.000 0.323 145 F C -0.721 175.083 175.800 0.005 0.000 1.133 145 F CA -1.465 56.543 58.000 0.013 0.000 0.941 145 F CB 0.285 39.286 39.000 0.002 0.000 1.263 145 F HN -0.153 nan 8.300 nan 0.000 0.451 146 R N 2.677 123.290 120.500 0.188 0.000 2.234 146 R HA 0.323 4.664 4.340 0.001 0.000 0.324 146 R C -0.631 175.789 176.300 0.200 0.000 1.054 146 R CA -0.377 55.773 56.100 0.082 0.000 0.912 146 R CB 1.095 31.439 30.300 0.073 0.000 1.030 146 R HN 0.878 nan 8.270 nan 0.000 0.455 147 Q N 2.939 122.772 119.800 0.056 0.000 2.243 147 Q HA 0.296 4.637 4.340 0.001 0.000 0.252 147 Q C -1.237 174.656 176.000 -0.177 0.000 0.909 147 Q CA -0.399 55.448 55.803 0.072 0.000 0.922 147 Q CB 1.304 30.043 28.738 0.002 0.000 1.215 147 Q HN 0.807 nan 8.270 nan 0.000 0.427 148 S N 2.316 117.871 115.700 -0.241 0.000 2.651 148 S HA 0.724 5.195 4.470 0.001 0.000 0.279 148 S C -1.284 173.092 174.600 -0.373 0.000 1.148 148 S CA -0.778 57.217 58.200 -0.342 0.000 0.837 148 S CB 0.996 64.123 63.200 -0.122 0.000 1.138 148 S HN 0.404 nan 8.310 nan 0.000 0.478 149 F N 0.378 120.298 119.950 -0.049 0.000 2.507 149 F HA 0.735 5.263 4.527 0.001 0.000 0.325 149 F C -0.453 175.328 175.800 -0.032 0.000 1.116 149 F CA -1.309 56.652 58.000 -0.065 0.000 0.930 149 F CB 2.144 41.083 39.000 -0.103 0.000 1.146 149 F HN 0.477 nan 8.300 nan 0.000 0.447 150 V N 2.983 123.002 119.914 0.174 0.000 2.482 150 V HA 0.280 4.400 4.120 0.001 0.000 0.295 150 V C -0.726 175.416 176.094 0.080 0.000 1.026 150 V CA -1.199 61.156 62.300 0.091 0.000 0.856 150 V CB 1.587 33.438 31.823 0.045 0.000 1.001 150 V HN 0.798 nan 8.190 nan 0.000 0.424 151 D N 4.289 124.737 120.400 0.080 0.000 2.701 151 D HA -0.215 4.426 4.640 0.001 0.000 0.235 151 D C 1.321 177.716 176.300 0.158 0.000 1.155 151 D CA 1.620 55.678 54.000 0.096 0.000 0.649 151 D CB -0.947 39.899 40.800 0.076 0.000 1.050 151 D HN 1.461 nan 8.370 nan 0.000 0.425 152 G N -0.724 108.141 108.800 0.109 0.000 2.179 152 G HA2 -0.360 3.600 3.960 0.001 0.000 0.260 152 G HA3 -0.360 3.600 3.960 0.001 0.000 0.260 152 G C 0.303 175.254 174.900 0.086 0.000 0.977 152 G CA 0.832 45.974 45.100 0.071 0.000 0.641 152 G HN 0.495 nan 8.290 nan 0.000 0.533 153 K N 0.189 120.643 120.400 0.090 0.000 2.156 153 K HA 0.495 4.816 4.320 0.001 0.000 0.254 153 K C 0.346 177.046 176.600 0.166 0.000 0.950 153 K CA -0.702 55.609 56.287 0.040 0.000 0.849 153 K CB 1.544 33.972 32.500 -0.119 0.000 1.100 153 K HN 0.272 nan 8.250 nan 0.000 0.434 154 Q N 1.987 121.891 119.800 0.173 0.000 2.311 154 Q HA 0.136 4.477 4.340 0.001 0.000 0.272 154 Q C -1.128 174.902 176.000 0.050 0.000 1.012 154 Q CA -0.122 55.804 55.803 0.205 0.000 0.891 154 Q CB 0.696 29.523 28.738 0.148 0.000 1.201 154 Q HN 0.271 nan 8.270 nan 0.000 0.391 155 V N 4.207 124.130 119.914 0.016 0.000 2.555 155 V HA 0.304 4.425 4.120 0.001 0.000 0.302 155 V C -0.986 175.055 176.094 -0.090 0.000 1.038 155 V CA -0.769 61.501 62.300 -0.049 0.000 0.887 155 V CB 2.072 33.880 31.823 -0.023 0.000 0.991 155 V HN 0.864 nan 8.190 nan 0.000 0.434 156 E N 2.795 122.876 120.200 -0.198 0.000 2.156 156 E HA 0.757 5.108 4.350 0.001 0.000 0.279 156 E C -0.263 176.297 176.600 -0.067 0.000 0.965 156 E CA -0.125 56.108 56.400 -0.278 0.000 0.789 156 E CB 1.876 31.135 29.700 -0.735 0.000 1.098 156 E HN 0.890 nan 8.360 nan 0.000 0.397 157 A N 3.664 126.527 122.820 0.071 0.000 2.486 157 A HA 0.784 5.104 4.320 0.001 0.000 0.289 157 A C -2.625 174.999 177.584 0.066 0.000 1.176 157 A CA -1.974 50.080 52.037 0.029 0.000 0.757 157 A CB 0.943 19.954 19.000 0.018 0.000 1.337 157 A HN 0.428 nan 8.150 nan 0.000 0.423 158 P HA 0.204 nan 4.420 nan 0.000 0.271 158 P C -1.074 176.291 177.300 0.107 0.000 1.216 158 P CA 0.247 63.327 63.100 -0.034 0.000 0.771 158 P CB 0.485 31.963 31.700 -0.370 0.000 0.864 159 D N 2.164 122.692 120.400 0.214 0.000 2.631 159 D HA 0.032 4.673 4.640 0.001 0.000 0.227 159 D C -0.504 175.995 176.300 0.333 0.000 1.146 159 D CA -0.183 53.940 54.000 0.203 0.000 1.009 159 D CB -0.685 40.191 40.800 0.126 0.000 1.057 159 D HN 0.150 nan 8.370 nan 0.000 0.509 160 D N 2.156 122.734 120.400 0.297 0.000 2.371 160 D HA -0.054 4.586 4.640 0.001 0.000 0.256 160 D C 0.474 176.819 176.300 0.075 0.000 1.193 160 D CA -0.346 53.791 54.000 0.230 0.000 0.881 160 D CB 0.339 41.212 40.800 0.122 0.000 1.143 160 D HN 0.456 nan 8.370 nan 0.000 0.473 161 W N 4.720 125.922 121.300 -0.163 0.000 2.599 161 W HA 0.211 4.872 4.660 0.002 0.000 0.396 161 W C -0.521 175.958 176.519 -0.066 0.000 0.944 161 W CA -0.532 56.735 57.345 -0.130 0.000 2.042 161 W CB -1.309 28.129 29.460 -0.037 0.000 1.184 161 W HN 0.448 nan 8.180 nan 0.000 0.604 162 H N 0.945 119.911 119.070 -0.174 0.000 2.748 162 H HA -0.214 4.342 4.556 0.001 0.000 0.322 162 H C 1.749 176.802 175.328 -0.459 0.000 1.208 162 H CA 1.353 57.283 56.048 -0.196 0.000 1.151 162 H CB -1.723 28.061 29.762 0.037 0.000 1.505 162 H HN 0.414 nan 8.280 nan 0.000 0.429 163 R N 1.119 121.044 120.500 -0.959 0.000 2.091 163 R HA -0.153 4.188 4.340 0.001 0.000 0.238 163 R C 2.121 178.143 176.300 -0.463 0.000 1.136 163 R CA 2.106 57.452 56.100 -1.257 0.000 0.959 163 R CB -0.007 29.524 30.300 -1.281 0.000 0.856 163 R HN 0.424 nan 8.270 nan 0.000 0.437 164 S N -0.052 115.420 115.700 -0.379 0.000 2.447 164 S HA -0.027 4.444 4.470 0.001 0.000 0.233 164 S C 1.228 175.811 174.600 -0.028 0.000 1.006 164 S CA 0.937 58.963 58.200 -0.291 0.000 0.957 164 S CB -0.075 62.982 63.200 -0.238 0.000 0.773 164 S HN 0.382 nan 8.310 nan 0.000 0.507 165 N N 0.150 118.883 118.700 0.056 0.000 2.230 165 N HA 0.172 4.913 4.740 0.001 0.000 0.202 165 N C -0.681 174.973 175.510 0.241 0.000 1.119 165 N CA -0.172 52.967 53.050 0.149 0.000 0.851 165 N CB -0.042 38.516 38.487 0.117 0.000 0.990 165 N HN 0.516 nan 8.380 nan 0.000 0.497 166 Y N 3.835 124.264 120.300 0.215 0.000 2.650 166 Y HA 0.098 4.648 4.550 0.001 0.000 0.331 166 Y C -1.278 174.735 175.900 0.188 0.000 1.165 166 Y CA -1.524 56.734 58.100 0.263 0.000 1.473 166 Y CB 0.968 39.580 38.460 0.253 0.000 1.224 166 Y HN 0.070 nan 8.280 nan 0.000 0.533 167 P HA -0.113 nan 4.420 nan 0.000 0.229 167 P C 0.554 177.502 177.300 -0.588 0.000 1.160 167 P CA 1.288 64.080 63.100 -0.512 0.000 0.777 167 P CB -0.000 31.227 31.700 -0.788 0.000 0.814 168 W N -1.574 119.462 121.300 -0.439 0.000 2.905 168 W HA 0.154 4.815 4.660 0.001 0.000 0.251 168 W C 0.768 177.320 176.519 0.053 0.000 1.305 168 W CA -0.410 56.838 57.345 -0.161 0.000 1.465 168 W CB -0.606 28.792 29.460 -0.103 0.000 1.122 168 W HN -0.246 nan 8.180 nan 0.000 0.659 169 F N 1.735 121.907 119.950 0.370 0.000 2.485 169 F HA 0.195 4.723 4.527 0.001 0.000 0.327 169 F C 1.025 176.960 175.800 0.226 0.000 1.203 169 F CA -0.621 57.614 58.000 0.392 0.000 1.295 169 F CB 0.320 39.658 39.000 0.563 0.000 1.191 169 F HN -0.196 nan 8.300 nan 0.000 0.588 170 R N 1.486 122.258 120.500 0.453 0.000 2.584 170 R HA 0.453 4.793 4.340 0.001 0.000 0.276 170 R C -2.262 173.966 176.300 -0.121 0.000 1.046 170 R CA -0.817 55.358 56.100 0.125 0.000 0.906 170 R CB 1.400 31.746 30.300 0.076 0.000 1.215 170 R HN 0.717 nan 8.270 nan 0.000 0.449 171 H N 2.380 121.170 119.070 -0.467 0.000 2.646 171 H HA 0.370 4.927 4.556 0.001 0.000 0.328 171 H C -1.574 173.490 175.328 -0.440 0.000 0.998 171 H CA -0.778 54.807 56.048 -0.772 0.000 1.225 171 H CB 1.450 30.272 29.762 -1.566 0.000 1.457 171 H HN 0.675 nan 8.280 nan 0.000 0.505 172 N N 3.629 121.905 118.700 -0.706 0.000 2.558 172 N HA 0.059 4.800 4.740 0.001 0.000 0.242 172 N C 0.747 175.888 175.510 -0.614 0.000 0.979 172 N CA -0.343 52.374 53.050 -0.554 0.000 0.931 172 N CB 0.731 39.051 38.487 -0.280 0.000 1.122 172 N HN 0.903 nan 8.380 nan 0.000 0.508 173 E N 2.521 122.304 120.200 -0.695 0.000 2.267 173 E HA -0.204 4.147 4.350 0.001 0.000 0.197 173 E C 1.109 177.621 176.600 -0.147 0.000 0.998 173 E CA 1.309 57.483 56.400 -0.376 0.000 0.830 173 E CB -0.090 29.468 29.700 -0.236 0.000 0.751 173 E HN 0.512 nan 8.360 nan 0.000 0.491 174 A N 1.196 123.926 122.820 -0.150 0.000 2.168 174 A HA 0.037 4.358 4.320 0.001 0.000 0.215 174 A C 1.991 179.559 177.584 -0.028 0.000 1.152 174 A CA 0.551 52.543 52.037 -0.075 0.000 0.716 174 A CB -0.335 18.620 19.000 -0.075 0.000 0.794 174 A HN 0.311 nan 8.150 nan 0.000 0.465 175 L N 0.018 121.229 121.223 -0.021 0.000 2.611 175 L HA 0.096 4.436 4.340 0.001 0.000 0.229 175 L C -0.368 176.610 176.870 0.180 0.000 1.137 175 L CA -0.517 54.371 54.840 0.079 0.000 0.901 175 L CB -0.362 41.742 42.059 0.075 0.000 1.098 175 L HN 0.141 nan 8.230 nan 0.000 0.456 176 D N 0.775 121.254 120.400 0.132 0.000 2.378 176 D HA 0.191 4.832 4.640 0.001 0.000 0.238 176 D C -0.053 176.300 176.300 0.088 0.000 1.180 176 D CA 0.422 54.523 54.000 0.169 0.000 0.895 176 D CB 1.908 42.776 40.800 0.113 0.000 1.192 176 D HN -0.152 nan 8.370 nan 0.000 0.438 177 V N 0.453 120.384 119.914 0.028 0.000 2.841 177 V HA 0.332 4.453 4.120 0.001 0.000 0.310 177 V C -1.419 174.620 176.094 -0.093 0.000 1.090 177 V CA -0.817 61.432 62.300 -0.085 0.000 0.930 177 V CB 2.123 33.806 31.823 -0.233 0.000 1.014 177 V HN 0.315 nan 8.190 nan 0.000 0.425 178 Q N 3.666 123.411 119.800 -0.092 0.000 2.256 178 Q HA 0.594 4.935 4.340 0.001 0.000 0.254 178 Q C -0.972 174.979 176.000 -0.082 0.000 0.916 178 Q CA -0.365 55.385 55.803 -0.089 0.000 0.932 178 Q CB 2.050 30.730 28.738 -0.097 0.000 1.207 178 Q HN 0.692 nan 8.270 nan 0.000 0.426 179 V N 1.523 121.412 119.914 -0.042 0.000 2.483 179 V HA 0.510 4.631 4.120 0.001 0.000 0.297 179 V C 0.343 176.494 176.094 0.096 0.000 1.027 179 V CA -0.828 61.489 62.300 0.028 0.000 0.855 179 V CB 1.860 33.698 31.823 0.024 0.000 0.995 179 V HN 0.866 nan 8.190 nan 0.000 0.424 180 G N 3.554 112.421 108.800 0.111 0.000 2.448 180 G HA2 0.693 4.654 3.960 0.001 0.000 0.285 180 G HA3 0.693 4.654 3.960 0.001 0.000 0.285 180 G C -1.063 174.035 174.900 0.330 0.000 1.176 180 G CA -0.259 44.841 45.100 -0.000 0.000 0.852 180 G HN 0.644 nan 8.290 nan 0.000 0.530 181 I N -0.113 120.637 120.570 0.299 0.000 2.802 181 I HA 0.640 4.811 4.170 0.001 0.000 0.298 181 I C 0.622 176.963 176.117 0.372 0.000 1.176 181 I CA 0.753 62.309 61.300 0.428 0.000 1.025 181 I CB 1.910 40.154 38.000 0.407 0.000 1.243 181 I HN 1.285 nan 8.210 nan 0.000 0.424 182 G N 3.732 112.749 108.800 0.362 0.000 2.569 182 G HA2 0.291 4.252 3.960 0.001 0.000 0.259 182 G HA3 0.291 4.252 3.960 0.001 0.000 0.259 182 G C 0.571 175.685 174.900 0.358 0.000 1.263 182 G CA -0.130 45.135 45.100 0.275 0.000 0.928 182 G HN 2.261 nan 8.290 nan 0.000 0.572 183 G N -0.877 108.066 108.800 0.237 0.000 2.525 183 G HA2 0.339 4.299 3.960 0.001 0.000 0.248 183 G HA3 0.339 4.299 3.960 0.001 0.000 0.248 183 G C 0.007 175.055 174.900 0.245 0.000 1.238 183 G CA 1.588 46.821 45.100 0.222 0.000 0.926 183 G HN 2.441 nan 8.290 nan 0.000 0.574 184 K N -1.969 118.593 120.400 0.270 0.000 2.533 184 K HA 0.749 5.070 4.320 0.001 0.000 0.272 184 K C -1.026 175.763 176.600 0.315 0.000 0.985 184 K CA -1.065 55.360 56.287 0.231 0.000 0.876 184 K CB 2.117 34.699 32.500 0.136 0.000 1.452 184 K HN 0.803 nan 8.250 nan 0.000 0.439 185 V N 1.664 121.703 119.914 0.207 0.000 2.481 185 V HA 0.276 4.397 4.120 0.001 0.000 0.286 185 V C 0.511 176.674 176.094 0.115 0.000 1.042 185 V CA -0.510 61.896 62.300 0.176 0.000 0.928 185 V CB 1.238 33.113 31.823 0.087 0.000 0.986 185 V HN 1.018 nan 8.190 nan 0.000 0.462 186 T N 1.675 116.292 114.554 0.104 0.000 2.770 186 T HA 0.295 4.646 4.350 0.001 0.000 0.281 186 T C 1.065 175.798 174.700 0.056 0.000 0.981 186 T CA -0.622 61.521 62.100 0.072 0.000 0.955 186 T CB 0.779 69.684 68.868 0.063 0.000 1.060 186 T HN 0.417 nan 8.240 nan 0.000 0.531 187 K N 0.874 121.300 120.400 0.043 0.000 2.097 187 K HA -0.085 4.236 4.320 0.001 0.000 0.206 187 K C 1.657 178.276 176.600 0.033 0.000 1.049 187 K CA 1.592 57.899 56.287 0.034 0.000 0.933 187 K CB -0.647 31.870 32.500 0.028 0.000 0.717 187 K HN 0.869 nan 8.250 nan 0.000 0.442 188 D N -1.403 119.018 120.400 0.037 0.000 2.340 188 D HA 0.057 4.698 4.640 0.001 0.000 0.220 188 D C 0.859 177.185 176.300 0.043 0.000 1.039 188 D CA 0.681 54.702 54.000 0.035 0.000 0.866 188 D CB 0.042 40.862 40.800 0.032 0.000 0.913 188 D HN 0.206 nan 8.370 nan 0.000 0.523 189 G N 0.202 109.033 108.800 0.052 0.000 2.131 189 G HA2 -0.251 3.710 3.960 0.001 0.000 0.201 189 G HA3 -0.251 3.710 3.960 0.001 0.000 0.201 189 G C -0.045 174.907 174.900 0.087 0.000 1.000 189 G CA -0.471 44.666 45.100 0.062 0.000 0.680 189 G HN 0.406 nan 8.290 nan 0.000 0.514 190 R N -1.010 119.550 120.500 0.100 0.000 2.407 190 R HA 0.483 4.824 4.340 0.001 0.000 0.303 190 R C -0.479 175.948 176.300 0.211 0.000 0.981 190 R CA -0.873 55.303 56.100 0.127 0.000 0.905 190 R CB 1.039 31.388 30.300 0.081 0.000 1.099 190 R HN 0.185 nan 8.270 nan 0.000 0.459 191 W N 3.809 125.117 121.300 0.015 0.000 2.331 191 W HA 0.191 4.852 4.660 0.001 0.000 0.306 191 W C -0.813 175.723 176.519 0.027 0.000 1.162 191 W CA -0.987 56.371 57.345 0.021 0.000 1.232 191 W CB 0.767 30.239 29.460 0.019 0.000 1.235 191 W HN 0.503 nan 8.180 nan 0.000 0.479 192 E N 8.163 128.370 120.200 0.012 0.000 2.183 192 E HA 0.231 4.582 4.350 0.001 0.000 0.250 192 E C -2.188 174.265 176.600 -0.245 0.000 0.901 192 E CA -1.893 54.412 56.400 -0.159 0.000 0.741 192 E CB 1.184 30.877 29.700 -0.012 0.000 1.182 192 E HN 0.105 nan 8.360 nan 0.000 0.425 193 P HA -0.039 nan 4.420 nan 0.000 0.272 193 P C 0.260 177.510 177.300 -0.083 0.000 1.223 193 P CA 0.033 62.902 63.100 -0.385 0.000 0.784 193 P CB 0.735 32.063 31.700 -0.621 0.000 0.923 194 E N 1.004 121.247 120.200 0.072 0.000 2.364 194 E HA 0.074 4.424 4.350 0.001 0.000 0.196 194 E C -0.296 176.444 176.600 0.234 0.000 0.990 194 E CA 0.200 56.676 56.400 0.127 0.000 0.886 194 E CB 0.073 29.860 29.700 0.144 0.000 0.866 194 E HN 0.314 nan 8.360 nan 0.000 0.493 195 F N 1.399 121.377 119.950 0.047 0.000 2.565 195 F HA 0.435 4.963 4.527 0.001 0.000 0.313 195 F C -1.271 174.564 175.800 0.059 0.000 1.091 195 F CA -0.663 57.388 58.000 0.085 0.000 0.915 195 F CB 2.545 41.609 39.000 0.106 0.000 1.208 195 F HN -0.292 nan 8.300 nan 0.000 0.453 196 T N 6.780 121.068 114.554 -0.443 0.000 2.809 196 T HA 0.574 4.925 4.350 0.001 0.000 0.284 196 T C -0.303 174.030 174.700 -0.611 0.000 0.992 196 T CA -0.363 61.506 62.100 -0.386 0.000 0.957 196 T CB 0.853 69.546 68.868 -0.293 0.000 0.942 196 T HN 0.368 nan 8.240 nan 0.000 0.439 197 I N 2.352 122.750 120.570 -0.286 0.000 2.437 197 I HA 0.347 4.518 4.170 0.001 0.000 0.298 197 I C 0.384 176.435 176.117 -0.110 0.000 0.984 197 I CA -0.648 60.536 61.300 -0.194 0.000 1.214 197 I CB 1.675 39.714 38.000 0.065 0.000 1.365 197 I HN 0.466 nan 8.210 nan 0.000 0.469 198 T N 4.266 118.758 114.554 -0.104 0.000 2.756 198 T HA 0.404 4.755 4.350 0.001 0.000 0.290 198 T C 0.208 175.010 174.700 0.169 0.000 0.985 198 T CA -0.558 61.536 62.100 -0.011 0.000 0.955 198 T CB 1.115 69.939 68.868 -0.074 0.000 0.930 198 T HN 0.789 nan 8.240 nan 0.000 0.451 199 G N 2.803 111.749 108.800 0.243 0.000 2.338 199 G HA2 0.509 4.470 3.960 0.001 0.000 0.298 199 G HA3 0.509 4.470 3.960 0.001 0.000 0.298 199 G C -0.615 174.540 174.900 0.424 0.000 1.140 199 G CA -0.534 44.833 45.100 0.445 0.000 0.860 199 G HN 0.612 nan 8.290 nan 0.000 0.470 200 Q N 0.092 120.200 119.800 0.514 0.000 2.274 200 Q HA 0.572 4.913 4.340 0.001 0.000 0.260 200 Q C -0.252 176.016 176.000 0.446 0.000 0.974 200 Q CA -0.784 55.266 55.803 0.412 0.000 0.876 200 Q CB 2.508 31.364 28.738 0.196 0.000 1.297 200 Q HN 0.648 nan 8.270 nan 0.000 0.446 201 A N 2.188 125.115 122.820 0.178 0.000 2.269 201 A HA 0.372 4.692 4.320 0.001 0.000 0.302 201 A C -1.515 175.884 177.584 -0.308 0.000 1.266 201 A CA -0.339 51.543 52.037 -0.259 0.000 0.894 201 A CB -0.014 18.734 19.000 -0.420 0.000 1.147 201 A HN 0.665 nan 8.150 nan 0.000 0.537 202 W N 2.455 123.604 121.300 -0.253 0.000 2.278 202 W HA 0.392 5.053 4.660 0.001 0.000 0.317 202 W C -0.903 175.593 176.519 -0.039 0.000 1.030 202 W CA -0.318 56.848 57.345 -0.299 0.000 1.334 202 W CB 1.306 30.321 29.460 -0.741 0.000 1.215 202 W HN 0.561 nan 8.180 nan 0.000 0.405 203 D N 3.576 124.089 120.400 0.188 0.000 2.210 203 D HA 0.472 5.112 4.640 0.001 0.000 0.249 203 D C -0.348 176.203 176.300 0.417 0.000 1.078 203 D CA -0.211 53.912 54.000 0.206 0.000 0.875 203 D CB 1.597 42.425 40.800 0.047 0.000 1.175 203 D HN 0.169 nan 8.370 nan 0.000 0.440 204 L N 3.026 124.402 121.223 0.254 0.000 2.362 204 L HA 0.452 4.793 4.340 0.001 0.000 0.271 204 L C -2.433 174.474 176.870 0.061 0.000 1.002 204 L CA -2.017 52.933 54.840 0.184 0.000 0.818 204 L CB 2.563 44.668 42.059 0.076 0.000 1.298 204 L HN 0.100 nan 8.230 nan 0.000 0.420 205 P HA 0.211 nan 4.420 nan 0.000 0.290 205 P C -0.925 176.315 177.300 -0.101 0.000 1.276 205 P CA -0.445 62.650 63.100 -0.008 0.000 0.808 205 P CB 1.470 33.195 31.700 0.042 0.000 0.966 206 V N 4.443 124.295 119.914 -0.104 0.000 2.334 206 V HA 0.147 4.268 4.120 0.001 0.000 0.267 206 V C 0.367 176.387 176.094 -0.122 0.000 1.040 206 V CA -0.610 61.615 62.300 -0.125 0.000 0.866 206 V CB 1.284 33.041 31.823 -0.110 0.000 1.019 206 V HN 0.264 nan 8.190 nan 0.000 0.468 207 V N 5.080 124.901 119.914 -0.155 0.000 2.385 207 V HA 0.501 4.622 4.120 0.001 0.000 0.269 207 V C 1.089 177.111 176.094 -0.120 0.000 1.043 207 V CA -0.129 62.076 62.300 -0.159 0.000 0.906 207 V CB 1.229 32.918 31.823 -0.223 0.000 0.995 207 V HN 0.916 nan 8.190 nan 0.000 0.467 208 G N 3.038 111.776 108.800 -0.103 0.000 2.539 208 G HA2 0.255 4.216 3.960 0.001 0.000 0.258 208 G HA3 0.255 4.216 3.960 0.001 0.000 0.258 208 G C -0.762 174.105 174.900 -0.055 0.000 1.202 208 G CA -0.339 44.727 45.100 -0.056 0.000 0.851 208 G HN 0.670 nan 8.290 nan 0.000 0.556 209 Y N 2.371 122.598 120.300 -0.122 0.000 2.584 209 Y HA 0.213 4.764 4.550 0.001 0.000 0.351 209 Y C 1.250 177.077 175.900 -0.121 0.000 1.030 209 Y CA -0.403 57.620 58.100 -0.130 0.000 1.332 209 Y CB 0.153 38.536 38.460 -0.128 0.000 1.148 209 Y HN 0.638 nan 8.280 nan 0.000 0.528 210 R N 2.725 122.860 120.500 -0.608 0.000 3.758 210 R HA -0.268 4.073 4.340 0.001 0.000 0.299 210 R C -0.154 176.002 176.300 -0.240 0.000 1.182 210 R CA 1.130 56.938 56.100 -0.486 0.000 0.809 210 R CB -2.571 27.316 30.300 -0.688 0.000 1.249 210 R HN 0.869 nan 8.270 nan 0.000 0.497 211 N N -1.929 116.663 118.700 -0.180 0.000 2.143 211 N HA 0.141 4.882 4.740 0.001 0.000 0.222 211 N C 1.009 176.440 175.510 -0.131 0.000 1.264 211 N CA 0.621 53.596 53.050 -0.124 0.000 0.897 211 N CB 0.486 38.919 38.487 -0.090 0.000 1.092 211 N HN 0.303 nan 8.380 nan 0.000 0.516 212 G N -0.035 108.676 108.800 -0.149 0.000 2.155 212 G HA2 -0.261 3.699 3.960 0.001 0.000 0.257 212 G HA3 -0.261 3.699 3.960 0.001 0.000 0.257 212 G C -0.323 174.474 174.900 -0.171 0.000 0.983 212 G CA 0.527 45.540 45.100 -0.144 0.000 0.676 212 G HN 0.314 nan 8.290 nan 0.000 0.528 213 V N 0.478 120.292 119.914 -0.168 0.000 2.607 213 V HA 0.730 4.851 4.120 0.001 0.000 0.289 213 V C 0.603 176.618 176.094 -0.131 0.000 1.053 213 V CA 0.355 62.549 62.300 -0.176 0.000 0.996 213 V CB 1.558 33.296 31.823 -0.142 0.000 0.995 213 V HN 1.473 nan 8.190 nan 0.000 0.476 214 A N 5.460 128.219 122.820 -0.102 0.000 2.466 214 A HA 0.738 5.059 4.320 0.001 0.000 0.284 214 A C -0.765 176.812 177.584 -0.012 0.000 1.049 214 A CA -0.686 51.316 52.037 -0.058 0.000 0.760 214 A CB 1.362 20.341 19.000 -0.035 0.000 1.274 214 A HN 0.852 nan 8.150 nan 0.000 0.412 215 Q N 1.712 121.497 119.800 -0.025 0.000 2.456 215 Q HA 0.785 5.126 4.340 0.001 0.000 0.284 215 Q C -3.096 172.873 176.000 -0.050 0.000 1.061 215 Q CA -2.248 53.551 55.803 -0.006 0.000 0.799 215 Q CB 2.577 31.320 28.738 0.008 0.000 1.445 215 Q HN 0.363 nan 8.270 nan 0.000 0.411 216 P HA 0.217 nan 4.420 nan 0.000 0.281 216 P C -1.243 175.936 177.300 -0.202 0.000 1.249 216 P CA -0.690 62.344 63.100 -0.110 0.000 0.810 216 P CB 0.647 32.281 31.700 -0.111 0.000 1.008 217 L N 2.723 123.817 121.223 -0.214 0.000 2.277 217 L HA 0.464 4.805 4.340 0.001 0.000 0.284 217 L C -0.005 176.698 176.870 -0.280 0.000 1.028 217 L CA -0.651 53.976 54.840 -0.355 0.000 0.835 217 L CB 0.263 42.093 42.059 -0.381 0.000 1.215 217 L HN 0.253 nan 8.230 nan 0.000 0.425 218 R N 5.416 125.681 120.500 -0.391 0.000 2.205 218 R HA 0.518 4.858 4.340 0.001 0.000 0.342 218 R C -1.383 174.681 176.300 -0.394 0.000 1.058 218 R CA -0.329 55.525 56.100 -0.409 0.000 0.904 218 R CB 0.202 30.166 30.300 -0.560 0.000 1.089 218 R HN 0.772 nan 8.270 nan 0.000 0.471 219 L N 5.630 126.732 121.223 -0.202 0.000 2.265 219 L HA 0.392 4.733 4.340 0.001 0.000 0.289 219 L C -0.547 176.296 176.870 -0.046 0.000 1.033 219 L CA -0.729 54.072 54.840 -0.066 0.000 0.814 219 L CB 0.895 43.032 42.059 0.130 0.000 1.203 219 L HN 0.537 nan 8.230 nan 0.000 0.423 220 W N 2.988 124.386 121.300 0.163 0.000 2.238 220 W HA 0.385 5.046 4.660 0.001 0.000 0.321 220 W C 0.342 177.041 176.519 0.300 0.000 1.293 220 W CA -0.142 57.326 57.345 0.205 0.000 1.204 220 W CB 0.511 29.974 29.460 0.004 0.000 1.167 220 W HN 0.431 nan 8.180 nan 0.000 0.553 221 Q N 2.211 122.358 119.800 0.580 0.000 2.333 221 Q HA 0.654 4.995 4.340 0.001 0.000 0.267 221 Q C -0.707 175.487 176.000 0.323 0.000 1.012 221 Q CA -0.742 55.239 55.803 0.295 0.000 0.824 221 Q CB 1.637 30.385 28.738 0.016 0.000 1.290 221 Q HN 0.606 nan 8.270 nan 0.000 0.449 222 A N 2.531 125.336 122.820 -0.025 0.000 2.328 222 A HA 0.675 4.996 4.320 0.001 0.000 0.284 222 A C -0.267 177.280 177.584 -0.062 0.000 1.160 222 A CA 0.008 51.878 52.037 -0.278 0.000 0.818 222 A CB 0.642 19.212 19.000 -0.716 0.000 1.087 222 A HN 0.781 nan 8.150 nan 0.000 0.504 223 T N -0.685 113.872 114.554 0.005 0.000 2.841 223 T HA 0.602 4.953 4.350 0.001 0.000 0.296 223 T C -1.008 173.708 174.700 0.027 0.000 1.166 223 T CA -0.651 61.473 62.100 0.040 0.000 1.007 223 T CB 1.563 70.462 68.868 0.052 0.000 1.253 223 T HN 0.742 nan 8.240 nan 0.000 0.511 224 H N -0.224 118.845 119.070 -0.002 0.000 2.600 224 H HA 0.654 5.211 4.556 0.001 0.000 0.357 224 H C 0.952 176.232 175.328 -0.081 0.000 1.106 224 H CA -0.064 55.955 56.048 -0.048 0.000 1.193 224 H CB 2.094 31.861 29.762 0.007 0.000 1.594 224 H HN 0.894 nan 8.280 nan 0.000 0.526 225 A N 4.049 126.720 122.820 -0.248 0.000 2.019 225 A HA -0.122 4.199 4.320 0.001 0.000 0.219 225 A C 0.351 177.718 177.584 -0.361 0.000 1.164 225 A CA 1.141 53.019 52.037 -0.266 0.000 0.644 225 A CB -0.094 18.667 19.000 -0.397 0.000 0.805 225 A HN 0.679 nan 8.150 nan 0.000 0.449 226 H N -1.417 117.980 119.070 0.546 0.000 2.448 226 H HA 0.220 4.776 4.556 0.001 0.000 0.237 226 H C -2.218 173.157 175.328 0.079 0.000 1.391 226 H CA -1.598 54.587 56.048 0.229 0.000 1.477 226 H CB 0.668 30.510 29.762 0.135 0.000 1.520 226 H HN 0.311 nan 8.280 nan 0.000 0.502 227 P HA -0.072 nan 4.420 nan 0.000 0.225 227 P C 0.157 177.580 177.300 0.205 0.000 1.156 227 P CA 0.720 63.921 63.100 0.168 0.000 0.787 227 P CB 0.448 32.263 31.700 0.191 0.000 0.802 228 F N 0.666 120.657 119.950 0.067 0.000 2.540 228 F HA 0.482 5.010 4.527 0.001 0.000 0.317 228 F C -1.054 174.782 175.800 0.060 0.000 1.104 228 F CA -1.369 56.667 58.000 0.061 0.000 0.913 228 F CB 1.711 40.732 39.000 0.034 0.000 1.170 228 F HN -0.359 nan 8.300 nan 0.000 0.450 229 D N 6.571 126.581 120.400 -0.650 0.000 2.441 229 D HA 0.107 4.747 4.640 0.001 0.000 0.231 229 D C 0.558 176.435 176.300 -0.705 0.000 1.073 229 D CA -0.275 53.445 54.000 -0.467 0.000 0.850 229 D CB 1.609 42.260 40.800 -0.248 0.000 1.062 229 D HN 0.770 nan 8.370 nan 0.000 0.524 230 L N 4.145 125.110 121.223 -0.430 0.000 2.201 230 L HA -0.069 4.272 4.340 0.001 0.000 0.212 230 L C 1.831 178.680 176.870 -0.035 0.000 1.105 230 L CA 1.695 56.426 54.840 -0.182 0.000 0.775 230 L CB -0.385 41.722 42.059 0.080 0.000 0.913 230 L HN 0.357 nan 8.230 nan 0.000 0.440 231 T N -0.254 114.262 114.554 -0.063 0.000 2.674 231 T HA -0.203 4.148 4.350 0.001 0.000 0.265 231 T C 1.868 176.548 174.700 -0.033 0.000 1.039 231 T CA 1.899 63.982 62.100 -0.027 0.000 1.150 231 T CB -0.165 68.680 68.868 -0.038 0.000 0.864 231 T HN 0.362 nan 8.240 nan 0.000 0.427 232 K N 0.148 120.502 120.400 -0.077 0.000 2.057 232 K HA -0.059 4.262 4.320 0.001 0.000 0.207 232 K C 2.046 178.597 176.600 -0.081 0.000 1.049 232 K CA 1.223 57.456 56.287 -0.091 0.000 0.931 232 K CB -0.429 32.008 32.500 -0.105 0.000 0.714 232 K HN 0.242 nan 8.250 nan 0.000 0.440 233 F N 2.720 122.568 119.950 -0.170 0.000 2.091 233 F HA -0.255 4.272 4.527 0.001 0.000 0.299 233 F C 1.832 177.654 175.800 0.038 0.000 1.103 233 F CA 1.555 59.553 58.000 -0.003 0.000 1.228 233 F CB -0.132 38.934 39.000 0.110 0.000 0.984 233 F HN 0.053 nan 8.300 nan 0.000 0.477 234 N N 0.183 119.038 118.700 0.258 0.000 2.512 234 N HA -0.106 4.635 4.740 0.001 0.000 0.183 234 N C 0.722 176.231 175.510 -0.000 0.000 1.073 234 N CA 0.957 54.112 53.050 0.174 0.000 0.911 234 N CB -0.409 38.183 38.487 0.174 0.000 0.964 234 N HN 0.351 nan 8.380 nan 0.000 0.447 235 D N -0.624 119.724 120.400 -0.087 0.000 2.328 235 D HA 0.157 4.798 4.640 0.001 0.000 0.226 235 D C 1.160 177.283 176.300 -0.295 0.000 1.066 235 D CA 0.212 54.127 54.000 -0.142 0.000 0.861 235 D CB -0.022 40.705 40.800 -0.121 0.000 0.912 235 D HN 0.267 nan 8.370 nan 0.000 0.521 236 G N 1.264 109.751 108.800 -0.522 0.000 2.159 236 G HA2 -0.249 3.712 3.960 0.001 0.000 0.256 236 G HA3 -0.249 3.712 3.960 0.001 0.000 0.256 236 G C 0.078 174.169 174.900 -1.348 0.000 0.977 236 G CA -0.231 44.213 45.100 -1.093 0.000 0.652 236 G HN 0.214 nan 8.290 nan 0.000 0.531 237 D N 0.427 120.347 120.400 -0.800 0.000 2.741 237 D HA 0.464 5.105 4.640 0.001 0.000 0.233 237 D C 1.566 177.630 176.300 -0.393 0.000 1.160 237 D CA -0.662 53.038 54.000 -0.500 0.000 1.003 237 D CB -0.519 40.133 40.800 -0.247 0.000 1.064 237 D HN 0.202 nan 8.370 nan 0.000 0.503 238 F N 0.268 120.121 119.950 -0.161 0.000 2.126 238 F HA -0.171 4.357 4.527 0.001 0.000 0.299 238 F C 2.108 177.950 175.800 0.071 0.000 1.096 238 F CA 0.404 58.343 58.000 -0.102 0.000 1.255 238 F CB -0.667 38.232 39.000 -0.169 0.000 0.997 238 F HN 0.258 nan 8.300 nan 0.000 0.479 239 L N 0.485 121.818 121.223 0.184 0.000 2.044 239 L HA -0.059 4.281 4.340 0.001 0.000 0.205 239 L C 2.403 179.335 176.870 0.104 0.000 1.075 239 L CA 1.661 56.589 54.840 0.146 0.000 0.747 239 L CB -0.597 41.520 42.059 0.096 0.000 0.903 239 L HN -0.039 nan 8.230 nan 0.000 0.435 240 R N -0.391 120.134 120.500 0.042 0.000 2.152 240 R HA -0.043 4.298 4.340 0.001 0.000 0.232 240 R C 2.154 178.464 176.300 0.017 0.000 1.117 240 R CA 0.896 57.006 56.100 0.016 0.000 0.981 240 R CB -0.548 29.738 30.300 -0.023 0.000 0.870 240 R HN 0.533 nan 8.270 nan 0.000 0.451 241 A N 1.278 124.119 122.820 0.035 0.000 2.131 241 A HA -0.162 4.158 4.320 0.001 0.000 0.220 241 A C 1.436 179.048 177.584 0.047 0.000 1.158 241 A CA 1.338 53.367 52.037 -0.013 0.000 0.665 241 A CB -0.074 18.983 19.000 0.095 0.000 0.795 241 A HN 0.215 nan 8.150 nan 0.000 0.460 242 E N -1.110 119.185 120.200 0.159 0.000 2.481 242 E HA -0.022 4.328 4.350 0.001 0.000 0.198 242 E C 1.662 178.333 176.600 0.118 0.000 1.027 242 E CA 0.327 56.842 56.400 0.192 0.000 0.900 242 E CB 0.011 29.847 29.700 0.226 0.000 0.993 242 E HN 0.711 nan 8.360 nan 0.000 0.482 243 Q N 1.973 121.815 119.800 0.070 0.000 2.082 243 Q HA -0.284 4.057 4.340 0.001 0.000 0.211 243 Q C 2.124 178.154 176.000 0.050 0.000 1.002 243 Q CA 2.332 58.161 55.803 0.042 0.000 0.868 243 Q CB -0.181 28.564 28.738 0.011 0.000 0.931 243 Q HN 0.310 nan 8.270 nan 0.000 0.414 244 Q N -1.436 118.391 119.800 0.045 0.000 2.096 244 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 244 Q C 1.894 177.979 176.000 0.142 0.000 0.982 244 Q CA 1.678 57.519 55.803 0.063 0.000 0.850 244 Q CB -0.637 28.049 28.738 -0.086 0.000 0.901 244 Q HN 0.555 nan 8.270 nan 0.000 0.422 245 G N 0.932 109.808 108.800 0.126 0.000 2.459 245 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 245 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 245 G C 1.373 176.374 174.900 0.169 0.000 1.183 245 G CA 1.035 46.240 45.100 0.175 0.000 0.776 245 G HN 0.397 nan 8.290 nan 0.000 0.552 246 I N 1.054 121.700 120.570 0.127 0.000 2.335 246 I HA -0.194 3.977 4.170 0.001 0.000 0.251 246 I C 2.396 178.562 176.117 0.083 0.000 1.129 246 I CA 0.783 62.142 61.300 0.098 0.000 1.402 246 I CB -0.224 37.825 38.000 0.081 0.000 1.069 246 I HN 0.079 nan 8.210 nan 0.000 0.424 247 N N 0.871 119.619 118.700 0.081 0.000 2.289 247 N HA -0.100 4.641 4.740 0.001 0.000 0.184 247 N C 1.776 177.344 175.510 0.096 0.000 1.016 247 N CA 1.470 54.507 53.050 -0.022 0.000 0.872 247 N CB -0.129 38.182 38.487 -0.294 0.000 0.973 247 N HN 0.393 nan 8.380 nan 0.000 0.433 248 A N 0.742 123.741 122.820 0.299 0.000 1.911 248 A HA 0.034 4.354 4.320 0.001 0.000 0.212 248 A C 1.886 179.510 177.584 0.066 0.000 1.189 248 A CA 0.733 52.943 52.037 0.288 0.000 0.639 248 A CB -0.215 18.984 19.000 0.333 0.000 0.839 248 A HN 0.228 nan 8.150 nan 0.000 0.449 249 E N 0.238 120.479 120.200 0.068 0.000 2.427 249 E HA -0.118 4.233 4.350 0.001 0.000 0.196 249 E C 1.671 178.279 176.600 0.013 0.000 1.028 249 E CA 0.948 57.357 56.400 0.016 0.000 0.864 249 E CB -0.038 29.685 29.700 0.038 0.000 0.813 249 E HN 0.808 nan 8.360 nan 0.000 0.514 250 K N 0.759 121.176 120.400 0.028 0.000 2.366 250 K HA -0.037 4.284 4.320 0.001 0.000 0.198 250 K C 1.745 178.370 176.600 0.041 0.000 1.044 250 K CA 0.600 56.915 56.287 0.046 0.000 0.973 250 K CB -0.006 32.518 32.500 0.040 0.000 0.767 250 K HN 0.116 nan 8.250 nan 0.000 0.475 251 L N 1.873 123.084 121.223 -0.020 0.000 2.201 251 L HA -0.063 4.278 4.340 0.001 0.000 0.212 251 L C 1.305 178.202 176.870 0.046 0.000 1.105 251 L CA 1.487 56.309 54.840 -0.030 0.000 0.775 251 L CB -0.533 41.390 42.059 -0.226 0.000 0.913 251 L HN 0.438 nan 8.230 nan 0.000 0.440 252 T N -5.009 109.555 114.554 0.015 0.000 3.308 252 T HA 0.206 4.557 4.350 0.001 0.000 0.270 252 T C 1.148 175.947 174.700 0.166 0.000 0.992 252 T CA -0.577 61.581 62.100 0.097 0.000 0.931 252 T CB 0.439 69.306 68.868 -0.002 0.000 1.142 252 T HN -0.003 nan 8.240 nan 0.000 0.525 253 K N 0.882 121.405 120.400 0.205 0.000 2.099 253 K HA 0.268 4.589 4.320 0.001 0.000 0.203 253 K C 0.525 177.321 176.600 0.327 0.000 1.047 253 K CA 0.585 57.024 56.287 0.254 0.000 0.963 253 K CB 0.334 32.995 32.500 0.269 0.000 0.759 253 K HN 0.315 nan 8.250 nan 0.000 0.451 254 V N 2.367 122.436 119.914 0.259 0.000 2.709 254 V HA 0.284 4.404 4.120 0.001 0.000 0.308 254 V C -0.440 175.543 176.094 -0.185 0.000 1.062 254 V CA -0.950 61.406 62.300 0.094 0.000 0.901 254 V CB 2.664 34.547 31.823 0.099 0.000 1.003 254 V HN 0.131 nan 8.190 nan 0.000 0.425 255 L N 5.500 126.357 121.223 -0.610 0.000 2.305 255 L HA 0.414 4.755 4.340 0.001 0.000 0.281 255 L C -0.440 176.202 176.870 -0.379 0.000 1.085 255 L CA -0.162 54.047 54.840 -1.052 0.000 0.813 255 L CB 0.269 41.542 42.059 -1.310 0.000 1.157 255 L HN 0.910 nan 8.230 nan 0.000 0.436 256 Y N 2.688 122.890 120.300 -0.164 0.000 3.037 256 Y HA -0.173 4.377 4.550 0.001 0.000 0.204 256 Y C -1.896 174.001 175.900 -0.004 0.000 1.275 256 Y CA -0.534 57.536 58.100 -0.050 0.000 1.066 256 Y CB -2.424 36.014 38.460 -0.035 0.000 1.305 256 Y HN 0.506 nan 8.280 nan 0.000 0.499 257 P HA -0.047 nan 4.420 nan 0.000 0.268 257 P C 0.622 177.977 177.300 0.092 0.000 1.208 257 P CA -0.125 63.036 63.100 0.103 0.000 0.777 257 P CB 0.740 32.493 31.700 0.088 0.000 0.875 258 N N 2.472 121.207 118.700 0.057 0.000 2.301 258 N HA -0.121 4.619 4.740 0.001 0.000 0.267 258 N C 0.269 175.801 175.510 0.036 0.000 1.304 258 N CA 0.561 53.629 53.050 0.030 0.000 0.851 258 N CB -0.030 38.464 38.487 0.011 0.000 1.070 258 N HN 0.390 nan 8.380 nan 0.000 0.483 259 D N 1.764 122.179 120.400 0.025 0.000 2.559 259 D HA 0.058 4.699 4.640 0.001 0.000 0.234 259 D C 0.375 176.689 176.300 0.022 0.000 1.226 259 D CA -0.188 53.834 54.000 0.035 0.000 0.830 259 D CB -0.930 39.901 40.800 0.051 0.000 1.028 259 D HN 0.471 nan 8.370 nan 0.000 0.492 260 N N -0.067 118.641 118.700 0.013 0.000 2.396 260 N HA 0.028 4.769 4.740 0.001 0.000 0.180 260 N C 0.600 176.148 175.510 0.064 0.000 1.028 260 N CA 0.430 53.493 53.050 0.022 0.000 0.893 260 N CB 0.338 38.834 38.487 0.015 0.000 0.967 260 N HN 0.244 nan 8.380 nan 0.000 0.440 261 A N -0.079 122.788 122.820 0.079 0.000 2.322 261 A HA 0.332 4.653 4.320 0.001 0.000 0.327 261 A C 0.431 178.106 177.584 0.152 0.000 1.134 261 A CA -0.656 51.455 52.037 0.123 0.000 0.831 261 A CB 0.598 19.665 19.000 0.111 0.000 1.288 261 A HN 0.145 nan 8.150 nan 0.000 0.472 262 F N 0.455 120.437 119.950 0.053 0.000 2.095 262 F HA -0.165 4.362 4.527 0.001 0.000 0.298 262 F C 1.877 177.720 175.800 0.073 0.000 1.104 262 F CA 2.628 60.666 58.000 0.065 0.000 1.232 262 F CB -0.064 38.967 39.000 0.052 0.000 0.987 262 F HN 0.791 nan 8.300 nan 0.000 0.475 263 E N -0.325 119.829 120.200 -0.076 0.000 2.204 263 E HA -0.116 4.235 4.350 0.001 0.000 0.195 263 E C 2.416 178.922 176.600 -0.156 0.000 0.990 263 E CA 0.780 57.064 56.400 -0.194 0.000 0.821 263 E CB -0.551 29.145 29.700 -0.005 0.000 0.750 263 E HN 0.608 nan 8.360 nan 0.000 0.477 264 G N 1.239 110.002 108.800 -0.063 0.000 2.430 264 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 264 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 264 G C 1.430 176.340 174.900 0.015 0.000 1.146 264 G CA 0.152 45.249 45.100 -0.005 0.000 0.793 264 G HN 0.065 nan 8.290 nan 0.000 0.537 265 K N 0.272 120.671 120.400 -0.002 0.000 2.025 265 K HA -0.022 4.298 4.320 0.001 0.000 0.207 265 K C 2.390 179.054 176.600 0.106 0.000 1.049 265 K CA 1.214 57.584 56.287 0.137 0.000 0.933 265 K CB -0.111 32.484 32.500 0.157 0.000 0.714 265 K HN 0.203 nan 8.250 nan 0.000 0.438 266 K N 1.118 121.400 120.400 -0.196 0.000 2.097 266 K HA -0.167 4.153 4.320 0.001 0.000 0.206 266 K C 2.144 178.664 176.600 -0.134 0.000 1.049 266 K CA 0.940 57.075 56.287 -0.253 0.000 0.933 266 K CB -0.087 32.108 32.500 -0.508 0.000 0.717 266 K HN 0.004 nan 8.250 nan 0.000 0.442 267 L N 1.537 122.713 121.223 -0.078 0.000 2.017 267 L HA -0.160 4.181 4.340 0.001 0.000 0.208 267 L C 2.047 178.948 176.870 0.053 0.000 1.073 267 L CA 1.616 56.450 54.840 -0.010 0.000 0.745 267 L CB -0.437 41.627 42.059 0.007 0.000 0.894 267 L HN 0.107 nan 8.230 nan 0.000 0.432 268 R N -0.429 120.139 120.500 0.113 0.000 2.091 268 R HA -0.161 4.180 4.340 0.001 0.000 0.238 268 R C 2.230 178.601 176.300 0.117 0.000 1.136 268 R CA 1.657 57.874 56.100 0.195 0.000 0.959 268 R CB -1.283 29.224 30.300 0.345 0.000 0.856 268 R HN 0.368 nan 8.270 nan 0.000 0.437 269 L N 1.016 122.171 121.223 -0.113 0.000 2.046 269 L HA -0.062 4.279 4.340 0.001 0.000 0.208 269 L C 2.348 179.131 176.870 -0.146 0.000 1.077 269 L CA 1.560 56.142 54.840 -0.430 0.000 0.747 269 L CB -0.362 41.093 42.059 -1.007 0.000 0.896 269 L HN 0.099 nan 8.230 nan 0.000 0.432 270 M N -1.494 118.070 119.600 -0.060 0.000 2.159 270 M HA -0.248 4.232 4.480 0.001 0.000 0.263 270 M C 2.229 178.625 176.300 0.160 0.000 1.063 270 M CA 1.616 56.959 55.300 0.070 0.000 1.110 270 M CB -0.288 32.343 32.600 0.052 0.000 1.374 270 M HN 0.372 nan 8.290 nan 0.000 0.411 271 Q N -0.022 119.864 119.800 0.144 0.000 2.050 271 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 271 Q C 2.036 178.176 176.000 0.234 0.000 0.980 271 Q CA 1.542 57.473 55.803 0.214 0.000 0.840 271 Q CB -0.216 28.655 28.738 0.222 0.000 0.898 271 Q HN 0.598 nan 8.270 nan 0.000 0.424 272 Q N -0.359 119.552 119.800 0.185 0.000 2.077 272 Q HA -0.243 4.097 4.340 0.001 0.000 0.206 272 Q C 1.915 177.976 176.000 0.102 0.000 0.989 272 Q CA 1.857 57.759 55.803 0.166 0.000 0.853 272 Q CB -0.361 28.486 28.738 0.181 0.000 0.907 272 Q HN 0.398 nan 8.270 nan 0.000 0.418 273 Y N 0.623 120.919 120.300 -0.008 0.000 2.114 273 Y HA -0.297 4.254 4.550 0.001 0.000 0.284 273 Y C 2.003 177.900 175.900 -0.004 0.000 1.143 273 Y CA 1.545 59.609 58.100 -0.061 0.000 1.135 273 Y CB -0.662 37.721 38.460 -0.129 0.000 0.980 273 Y HN 0.137 nan 8.280 nan 0.000 0.499 274 F N 1.389 121.174 119.950 -0.275 0.000 2.065 274 F HA -0.326 4.202 4.527 0.001 0.000 0.298 274 F C 2.653 178.246 175.800 -0.345 0.000 1.112 274 F CA 2.605 60.413 58.000 -0.321 0.000 1.212 274 F CB -1.053 37.898 39.000 -0.081 0.000 0.975 274 F HN 0.276 nan 8.300 nan 0.000 0.476 275 Q N -0.535 119.129 119.800 -0.225 0.000 2.096 275 Q HA -0.245 4.096 4.340 0.001 0.000 0.204 275 Q C 2.352 178.144 176.000 -0.347 0.000 0.982 275 Q CA 2.474 58.135 55.803 -0.237 0.000 0.850 275 Q CB -0.535 28.264 28.738 0.102 0.000 0.901 275 Q HN 0.586 nan 8.270 nan 0.000 0.422 276 C N -0.331 118.806 119.300 -0.273 0.000 2.486 276 C HA 0.086 4.546 4.460 0.001 0.000 0.279 276 C C 2.825 177.598 174.990 -0.361 0.000 1.302 276 C CA 0.494 59.378 59.018 -0.224 0.000 1.720 276 C CB -1.139 26.551 27.740 -0.083 0.000 2.030 276 C HN 0.710 nan 8.230 nan 0.000 0.490 277 A N -0.153 122.325 122.820 -0.570 0.000 1.908 277 A HA -0.246 4.074 4.320 0.001 0.000 0.218 277 A C 2.108 179.324 177.584 -0.612 0.000 1.181 277 A CA 2.406 54.105 52.037 -0.564 0.000 0.627 277 A CB -1.094 17.407 19.000 -0.832 0.000 0.818 277 A HN 0.698 nan 8.150 nan 0.000 0.445 278 C N -0.656 118.051 119.300 -0.987 0.000 2.446 278 C HA -0.019 4.442 4.460 0.001 0.000 0.277 278 C C 3.186 177.566 174.990 -1.017 0.000 1.275 278 C CA 0.986 59.155 59.018 -1.415 0.000 1.727 278 C CB -1.352 24.723 27.740 -2.774 0.000 2.010 278 C HN 0.604 nan 8.230 nan 0.000 0.486 279 S N 1.244 116.524 115.700 -0.700 0.000 2.355 279 S HA -0.122 4.349 4.470 0.001 0.000 0.222 279 S C 1.985 176.344 174.600 -0.402 0.000 1.031 279 S CA 1.409 59.314 58.200 -0.491 0.000 0.993 279 S CB -0.493 62.365 63.200 -0.571 0.000 0.859 279 S HN 0.476 nan 8.310 nan 0.000 0.453 280 V N 2.322 122.069 119.914 -0.278 0.000 2.287 280 V HA -0.249 3.872 4.120 0.001 0.000 0.248 280 V C 2.730 178.755 176.094 -0.116 0.000 1.053 280 V CA 1.821 64.036 62.300 -0.141 0.000 1.027 280 V CB -1.287 30.505 31.823 -0.051 0.000 0.646 280 V HN 0.552 nan 8.190 nan 0.000 0.447 281 A N -0.149 122.576 122.820 -0.158 0.000 1.908 281 A HA -0.334 3.986 4.320 0.001 0.000 0.218 281 A C 2.034 179.602 177.584 -0.027 0.000 1.181 281 A CA 2.434 54.411 52.037 -0.100 0.000 0.627 281 A CB -0.770 18.131 19.000 -0.164 0.000 0.818 281 A HN 0.628 nan 8.150 nan 0.000 0.445 282 D N -0.351 120.052 120.400 0.003 0.000 2.084 282 D HA -0.125 4.516 4.640 0.001 0.000 0.194 282 D C 1.742 178.126 176.300 0.139 0.000 0.990 282 D CA 1.539 55.644 54.000 0.175 0.000 0.826 282 D CB -0.234 40.852 40.800 0.476 0.000 0.971 282 D HN 0.458 nan 8.370 nan 0.000 0.453 283 I N 0.198 120.817 120.570 0.083 0.000 2.151 283 I HA -0.290 3.881 4.170 0.001 0.000 0.243 283 I C 2.361 178.505 176.117 0.045 0.000 1.080 283 I CA 0.871 62.215 61.300 0.073 0.000 1.339 283 I CB -0.267 37.733 38.000 -0.001 0.000 1.039 283 I HN 0.165 nan 8.210 nan 0.000 0.409 284 L N -0.010 121.223 121.223 0.017 0.000 2.131 284 L HA -0.200 4.141 4.340 0.001 0.000 0.210 284 L C 2.739 179.670 176.870 0.101 0.000 1.092 284 L CA 1.200 56.063 54.840 0.038 0.000 0.759 284 L CB -0.570 41.499 42.059 0.017 0.000 0.903 284 L HN 0.260 nan 8.230 nan 0.000 0.435 285 R N 0.428 120.977 120.500 0.081 0.000 2.073 285 R HA -0.158 4.183 4.340 0.001 0.000 0.229 285 R C 2.504 178.864 176.300 0.099 0.000 1.120 285 R CA 1.171 57.326 56.100 0.092 0.000 0.967 285 R CB -0.121 30.220 30.300 0.069 0.000 0.862 285 R HN 0.176 nan 8.270 nan 0.000 0.436 286 R N -0.760 119.784 120.500 0.074 0.000 2.096 286 R HA -0.198 4.142 4.340 0.001 0.000 0.235 286 R C 2.097 178.397 176.300 0.000 0.000 1.127 286 R CA 2.019 58.130 56.100 0.018 0.000 0.968 286 R CB -0.324 29.969 30.300 -0.012 0.000 0.861 286 R HN 0.378 nan 8.270 nan 0.000 0.440 287 H N -0.582 118.450 119.070 -0.063 0.000 2.357 287 H HA -0.145 4.412 4.556 0.001 0.000 0.301 287 H C 2.168 177.432 175.328 -0.107 0.000 1.082 287 H CA 2.163 58.142 56.048 -0.116 0.000 1.342 287 H CB -0.207 29.498 29.762 -0.095 0.000 1.389 287 H HN 0.283 nan 8.280 nan 0.000 0.511 288 H N 0.167 119.219 119.070 -0.029 0.000 2.321 288 H HA -0.109 4.448 4.556 0.001 0.000 0.300 288 H C 2.065 177.323 175.328 -0.118 0.000 1.087 288 H CA 1.403 57.403 56.048 -0.079 0.000 1.319 288 H CB -0.136 29.620 29.762 -0.010 0.000 1.379 288 H HN 0.323 nan 8.280 nan 0.000 0.501 289 L N 0.984 122.146 121.223 -0.102 0.000 2.261 289 L HA -0.096 4.245 4.340 0.001 0.000 0.216 289 L C 2.350 179.085 176.870 -0.225 0.000 1.114 289 L CA 1.340 56.087 54.840 -0.156 0.000 0.777 289 L CB -1.208 40.813 42.059 -0.063 0.000 0.910 289 L HN 0.317 nan 8.230 nan 0.000 0.440 290 A N -1.241 121.419 122.820 -0.267 0.000 2.278 290 A HA 0.331 4.652 4.320 0.001 0.000 0.212 290 A C 1.704 179.084 177.584 -0.340 0.000 1.213 290 A CA 0.690 52.551 52.037 -0.293 0.000 0.840 290 A CB -0.379 18.421 19.000 -0.333 0.000 0.866 290 A HN 0.512 nan 8.150 nan 0.000 0.489 291 G N -0.415 108.164 108.800 -0.370 0.000 2.155 291 G HA2 -0.301 3.660 3.960 0.001 0.000 0.257 291 G HA3 -0.301 3.660 3.960 0.001 0.000 0.257 291 G C 0.374 175.051 174.900 -0.372 0.000 0.983 291 G CA 0.608 45.502 45.100 -0.343 0.000 0.676 291 G HN 0.678 nan 8.290 nan 0.000 0.528 292 R N -0.206 119.966 120.500 -0.547 0.000 2.543 292 R HA 0.582 4.923 4.340 0.001 0.000 0.268 292 R C 0.255 176.288 176.300 -0.445 0.000 1.067 292 R CA -0.555 55.150 56.100 -0.659 0.000 1.142 292 R CB 0.586 30.111 30.300 -1.292 0.000 1.110 292 R HN -0.008 nan 8.270 nan 0.000 0.549 293 K N 1.510 121.748 120.400 -0.271 0.000 2.098 293 K HA 0.112 4.433 4.320 0.001 0.000 0.258 293 K C 0.858 177.438 176.600 -0.033 0.000 0.973 293 K CA -0.609 55.600 56.287 -0.129 0.000 0.898 293 K CB 1.243 33.654 32.500 -0.149 0.000 1.057 293 K HN 0.269 nan 8.250 nan 0.000 0.447 294 L N 3.027 124.238 121.223 -0.020 0.000 2.017 294 L HA -0.190 4.150 4.340 0.001 0.000 0.208 294 L C 2.433 179.242 176.870 -0.100 0.000 1.073 294 L CA 1.985 56.792 54.840 -0.055 0.000 0.745 294 L CB -0.950 41.037 42.059 -0.121 0.000 0.894 294 L HN 0.799 nan 8.230 nan 0.000 0.432 295 H N -0.031 119.042 119.070 0.005 0.000 2.541 295 H HA -0.131 4.426 4.556 0.001 0.000 0.289 295 H C 1.005 176.349 175.328 0.027 0.000 1.054 295 H CA 1.281 57.330 56.048 0.003 0.000 1.250 295 H CB -0.438 29.332 29.762 0.014 0.000 1.369 295 H HN 0.701 nan 8.280 nan 0.000 0.578 296 E N 0.828 120.754 120.200 -0.457 0.000 2.451 296 E HA 0.125 4.476 4.350 0.001 0.000 0.194 296 E C 1.779 178.410 176.600 0.051 0.000 1.027 296 E CA -0.342 55.975 56.400 -0.138 0.000 0.914 296 E CB 0.003 29.638 29.700 -0.108 0.000 1.054 296 E HN 0.298 nan 8.360 nan 0.000 0.461 297 L N 1.151 122.287 121.223 -0.145 0.000 1.997 297 L HA -0.260 4.081 4.340 0.001 0.000 0.216 297 L C 2.455 179.239 176.870 -0.143 0.000 1.074 297 L CA 2.062 56.688 54.840 -0.355 0.000 0.763 297 L CB -0.467 41.329 42.059 -0.438 0.000 0.890 297 L HN 0.410 nan 8.230 nan 0.000 0.434 298 A N -0.927 121.806 122.820 -0.145 0.000 2.178 298 A HA -0.211 4.110 4.320 0.001 0.000 0.218 298 A C 1.637 179.144 177.584 -0.128 0.000 1.157 298 A CA 1.694 53.637 52.037 -0.157 0.000 0.689 298 A CB -0.452 18.429 19.000 -0.198 0.000 0.787 298 A HN 0.529 nan 8.150 nan 0.000 0.465 299 D N -2.087 118.265 120.400 -0.079 0.000 2.323 299 D HA -0.009 4.632 4.640 0.001 0.000 0.209 299 D C 0.695 176.814 176.300 -0.302 0.000 0.973 299 D CA 1.037 54.920 54.000 -0.195 0.000 0.874 299 D CB -0.038 40.618 40.800 -0.239 0.000 0.930 299 D HN 0.681 nan 8.370 nan 0.000 0.521 300 Y N -0.025 120.277 120.300 0.002 0.000 2.430 300 Y HA 0.210 4.761 4.550 0.001 0.000 0.254 300 Y C 0.476 176.404 175.900 0.046 0.000 1.088 300 Y CA -0.104 58.027 58.100 0.053 0.000 1.267 300 Y CB 1.155 39.703 38.460 0.147 0.000 1.204 300 Y HN -0.295 nan 8.280 nan 0.000 0.515 301 E N 0.689 120.956 120.200 0.113 0.000 2.272 301 E HA 0.437 4.787 4.350 0.001 0.000 0.269 301 E C -1.392 175.193 176.600 -0.026 0.000 0.877 301 E CA -0.612 55.819 56.400 0.052 0.000 0.755 301 E CB 3.170 32.858 29.700 -0.020 0.000 1.192 301 E HN -0.138 nan 8.360 nan 0.000 0.422 302 V N 4.034 123.938 119.914 -0.015 0.000 2.604 302 V HA 0.559 4.680 4.120 0.001 0.000 0.305 302 V C -0.932 175.134 176.094 -0.047 0.000 1.043 302 V CA -0.645 61.656 62.300 0.001 0.000 0.888 302 V CB 1.335 33.227 31.823 0.116 0.000 0.995 302 V HN 0.590 nan 8.190 nan 0.000 0.429 303 I N 5.586 126.128 120.570 -0.047 0.000 2.382 303 I HA 0.430 4.601 4.170 0.001 0.000 0.286 303 I C -0.568 175.624 176.117 0.124 0.000 1.002 303 I CA -0.520 60.770 61.300 -0.016 0.000 1.135 303 I CB 1.798 39.705 38.000 -0.155 0.000 1.288 303 I HN 0.598 nan 8.210 nan 0.000 0.448 304 Q N 6.970 126.832 119.800 0.102 0.000 2.331 304 Q HA 0.488 4.829 4.340 0.001 0.000 0.257 304 Q C -1.346 174.684 176.000 0.051 0.000 0.957 304 Q CA -0.145 55.738 55.803 0.133 0.000 0.923 304 Q CB 1.011 29.858 28.738 0.182 0.000 1.212 304 Q HN 0.567 nan 8.270 nan 0.000 0.443 305 L N 4.092 125.399 121.223 0.139 0.000 2.264 305 L HA 0.468 4.809 4.340 0.001 0.000 0.289 305 L C -0.092 176.889 176.870 0.186 0.000 1.044 305 L CA -0.575 54.358 54.840 0.155 0.000 0.807 305 L CB 0.913 43.090 42.059 0.197 0.000 1.192 305 L HN 0.546 nan 8.230 nan 0.000 0.425 306 N N 4.259 123.041 118.700 0.136 0.000 2.457 306 N HA 0.173 4.913 4.740 0.001 0.000 0.250 306 N C -0.459 175.205 175.510 0.257 0.000 0.982 306 N CA -0.229 52.965 53.050 0.240 0.000 0.941 306 N CB 1.211 39.767 38.487 0.114 0.000 1.120 306 N HN 0.653 nan 8.380 nan 0.000 0.505 307 D N -0.114 120.515 120.400 0.382 0.000 3.582 307 D HA -0.206 4.435 4.640 0.001 0.000 0.258 307 D C 1.098 177.534 176.300 0.227 0.000 1.930 307 D CA 1.670 55.852 54.000 0.304 0.000 1.144 307 D CB -0.263 40.547 40.800 0.017 0.000 0.858 307 D HN 0.558 nan 8.370 nan 0.000 1.045 308 T N -3.584 110.960 114.554 -0.017 0.000 3.081 308 T HA 0.095 4.446 4.350 0.001 0.000 0.250 308 T C 1.504 176.223 174.700 0.032 0.000 1.100 308 T CA 1.364 63.458 62.100 -0.009 0.000 1.038 308 T CB -0.363 68.507 68.868 0.004 0.000 0.962 308 T HN 0.486 nan 8.240 nan 0.000 0.516 309 H N 3.002 122.202 119.070 0.216 0.000 2.325 309 H HA -0.040 4.517 4.556 0.001 0.000 0.293 309 H C -0.909 174.525 175.328 0.177 0.000 1.106 309 H CA 1.772 57.957 56.048 0.229 0.000 1.247 309 H CB -1.160 28.748 29.762 0.245 0.000 1.359 309 H HN 0.446 nan 8.280 nan 0.000 0.488 310 P HA 0.125 nan 4.420 nan 0.000 0.254 310 P C 0.289 177.612 177.300 0.038 0.000 1.620 310 P CA 0.322 63.506 63.100 0.140 0.000 1.050 310 P CB 0.465 32.255 31.700 0.151 0.000 1.539 311 T N 0.136 114.702 114.554 0.020 0.000 2.759 311 T HA -0.141 4.210 4.350 0.001 0.000 0.269 311 T C 1.535 176.172 174.700 -0.106 0.000 1.042 311 T CA 1.054 63.104 62.100 -0.083 0.000 1.140 311 T CB -0.589 68.255 68.868 -0.041 0.000 0.864 311 T HN 0.084 nan 8.240 nan 0.000 0.455 312 I N 1.491 122.046 120.570 -0.025 0.000 2.614 312 I HA -0.005 4.166 4.170 0.001 0.000 0.258 312 I C 2.384 178.501 176.117 -0.000 0.000 1.189 312 I CA 0.350 61.644 61.300 -0.011 0.000 1.462 312 I CB -0.487 37.510 38.000 -0.004 0.000 1.092 312 I HN 0.177 nan 8.210 nan 0.000 0.442 313 A N 0.351 123.146 122.820 -0.041 0.000 2.032 313 A HA -0.223 4.097 4.320 0.001 0.000 0.221 313 A C 2.279 179.732 177.584 -0.218 0.000 1.165 313 A CA 1.989 54.003 52.037 -0.037 0.000 0.645 313 A CB -0.933 18.098 19.000 0.051 0.000 0.807 313 A HN 0.522 nan 8.150 nan 0.000 0.453 314 I N 0.168 120.423 120.570 -0.524 0.000 2.133 314 I HA -0.140 4.031 4.170 0.001 0.000 0.238 314 I C -0.457 175.550 176.117 -0.184 0.000 1.074 314 I CA 1.466 62.351 61.300 -0.690 0.000 1.342 314 I CB -0.887 36.711 38.000 -0.669 0.000 1.053 314 I HN 0.227 nan 8.210 nan 0.000 0.404 315 P HA -0.163 nan 4.420 nan 0.000 0.226 315 P C 1.176 178.533 177.300 0.095 0.000 1.153 315 P CA 1.338 64.476 63.100 0.064 0.000 0.777 315 P CB 0.012 31.788 31.700 0.126 0.000 0.794 316 E N 0.119 120.433 120.200 0.190 0.000 2.107 316 E HA -0.125 4.225 4.350 0.001 0.000 0.191 316 E C 1.826 178.516 176.600 0.151 0.000 0.982 316 E CA 0.629 57.190 56.400 0.269 0.000 0.809 316 E CB -1.158 28.747 29.700 0.341 0.000 0.756 316 E HN 0.013 nan 8.360 nan 0.000 0.459 317 L N 0.275 121.583 121.223 0.142 0.000 2.027 317 L HA 0.009 4.350 4.340 0.001 0.000 0.206 317 L C 2.147 179.062 176.870 0.074 0.000 1.074 317 L CA 1.518 56.438 54.840 0.133 0.000 0.745 317 L CB -0.666 41.537 42.059 0.240 0.000 0.898 317 L HN 0.276 nan 8.230 nan 0.000 0.433 318 L N -0.572 120.674 121.223 0.038 0.000 2.013 318 L HA -0.291 4.050 4.340 0.001 0.000 0.212 318 L C 2.812 179.687 176.870 0.007 0.000 1.073 318 L CA 1.853 56.677 54.840 -0.026 0.000 0.753 318 L CB -0.668 41.346 42.059 -0.076 0.000 0.890 318 L HN 0.339 nan 8.230 nan 0.000 0.432 319 R N 0.084 120.584 120.500 -0.001 0.000 2.094 319 R HA -0.196 4.145 4.340 0.001 0.000 0.239 319 R C 2.186 178.519 176.300 0.054 0.000 1.137 319 R CA 2.208 58.302 56.100 -0.011 0.000 0.943 319 R CB -0.361 29.855 30.300 -0.141 0.000 0.850 319 R HN 0.191 nan 8.270 nan 0.000 0.433 320 V N 1.158 121.121 119.914 0.083 0.000 2.332 320 V HA -0.252 3.869 4.120 0.001 0.000 0.248 320 V C 2.333 178.529 176.094 0.170 0.000 1.055 320 V CA 1.383 63.749 62.300 0.111 0.000 1.038 320 V CB -0.456 31.445 31.823 0.130 0.000 0.651 320 V HN 0.279 nan 8.190 nan 0.000 0.450 321 L N -0.856 120.466 121.223 0.165 0.000 2.109 321 L HA -0.024 4.317 4.340 0.001 0.000 0.207 321 L C 2.120 179.083 176.870 0.155 0.000 1.086 321 L CA 1.697 56.656 54.840 0.198 0.000 0.760 321 L CB -0.775 41.327 42.059 0.071 0.000 0.910 321 L HN 0.251 nan 8.230 nan 0.000 0.437 322 I N -0.700 119.932 120.570 0.103 0.000 2.277 322 I HA -0.213 3.958 4.170 0.001 0.000 0.243 322 I C 1.831 178.005 176.117 0.096 0.000 1.094 322 I CA 1.019 62.384 61.300 0.109 0.000 1.393 322 I CB -0.240 37.837 38.000 0.129 0.000 1.078 322 I HN 0.192 nan 8.210 nan 0.000 0.417 323 D N 0.519 120.964 120.400 0.076 0.000 2.183 323 D HA -0.094 4.546 4.640 0.001 0.000 0.205 323 D C 1.895 178.198 176.300 0.006 0.000 0.962 323 D CA 1.017 55.051 54.000 0.056 0.000 0.849 323 D CB -0.136 40.709 40.800 0.075 0.000 0.978 323 D HN 0.405 nan 8.370 nan 0.000 0.488 324 E N -0.511 119.657 120.200 -0.054 0.000 2.415 324 E HA 0.025 4.376 4.350 0.001 0.000 0.197 324 E C 0.713 177.083 176.600 -0.383 0.000 1.007 324 E CA 0.406 56.664 56.400 -0.236 0.000 0.890 324 E CB 0.356 29.860 29.700 -0.326 0.000 0.891 324 E HN 0.401 nan 8.360 nan 0.000 0.496 325 H N 0.060 119.149 119.070 0.032 0.000 2.785 325 H HA 0.176 4.733 4.556 0.001 0.000 0.268 325 H C -0.182 175.171 175.328 0.042 0.000 1.153 325 H CA -0.009 56.058 56.048 0.032 0.000 1.111 325 H CB 0.857 30.637 29.762 0.031 0.000 1.633 325 H HN -0.002 nan 8.280 nan 0.000 0.576 326 Q N 0.284 120.152 119.800 0.113 0.000 2.457 326 Q HA -0.181 4.160 4.340 0.001 0.000 0.283 326 Q C -0.216 175.851 176.000 0.110 0.000 1.234 326 Q CA 0.622 56.484 55.803 0.097 0.000 0.877 326 Q CB -1.572 27.213 28.738 0.078 0.000 1.250 326 Q HN 0.502 nan 8.270 nan 0.000 0.481 327 M N 0.219 119.893 119.600 0.123 0.000 2.249 327 M HA 0.278 4.758 4.480 0.001 0.000 0.351 327 M C 0.836 177.208 176.300 0.119 0.000 1.180 327 M CA -0.180 55.186 55.300 0.110 0.000 1.127 327 M CB 1.239 33.895 32.600 0.094 0.000 1.546 327 M HN 0.320 nan 8.290 nan 0.000 0.461 328 S N 2.245 118.017 115.700 0.121 0.000 2.589 328 S HA 0.011 4.481 4.470 0.001 0.000 0.265 328 S C 0.932 175.653 174.600 0.202 0.000 1.342 328 S CA -0.684 57.613 58.200 0.162 0.000 1.005 328 S CB 0.647 63.935 63.200 0.147 0.000 0.909 328 S HN 0.951 nan 8.310 nan 0.000 0.555 329 W N 1.509 122.860 121.300 0.085 0.000 2.318 329 W HA -0.184 4.477 4.660 0.001 0.000 0.313 329 W C 0.906 177.515 176.519 0.149 0.000 1.221 329 W CA 2.219 59.628 57.345 0.106 0.000 1.266 329 W CB -0.690 28.805 29.460 0.059 0.000 1.150 329 W HN 0.756 nan 8.180 nan 0.000 0.496 330 D N 0.161 120.749 120.400 0.314 0.000 2.149 330 D HA -0.153 4.488 4.640 0.001 0.000 0.201 330 D C 1.553 177.948 176.300 0.158 0.000 0.972 330 D CA 1.451 55.600 54.000 0.248 0.000 0.835 330 D CB -0.580 40.355 40.800 0.224 0.000 0.966 330 D HN 0.144 nan 8.370 nan 0.000 0.476 331 D N 0.517 120.989 120.400 0.119 0.000 2.144 331 D HA -0.046 4.595 4.640 0.001 0.000 0.200 331 D C 1.997 178.325 176.300 0.046 0.000 0.978 331 D CA 0.930 54.980 54.000 0.084 0.000 0.833 331 D CB -0.142 40.703 40.800 0.076 0.000 0.961 331 D HN 0.118 nan 8.370 nan 0.000 0.470 332 A N 0.506 123.327 122.820 0.002 0.000 1.897 332 A HA -0.132 4.189 4.320 0.001 0.000 0.215 332 A C 2.086 179.618 177.584 -0.087 0.000 1.181 332 A CA 0.731 52.731 52.037 -0.061 0.000 0.620 332 A CB -1.071 17.861 19.000 -0.112 0.000 0.821 332 A HN 0.399 nan 8.150 nan 0.000 0.443 333 W N 0.936 122.021 121.300 -0.359 0.000 2.425 333 W HA -0.092 4.569 4.660 0.001 0.000 0.277 333 W C 2.093 178.549 176.519 -0.104 0.000 1.231 333 W CA 1.449 58.619 57.345 -0.290 0.000 1.248 333 W CB -0.140 29.102 29.460 -0.364 0.000 1.117 333 W HN 0.429 nan 8.180 nan 0.000 0.568 334 A N 0.616 123.502 122.820 0.109 0.000 1.972 334 A HA -0.163 4.158 4.320 0.001 0.000 0.219 334 A C 1.974 179.525 177.584 -0.055 0.000 1.169 334 A CA 1.680 53.749 52.037 0.054 0.000 0.635 334 A CB -0.776 18.277 19.000 0.087 0.000 0.810 334 A HN 0.310 nan 8.150 nan 0.000 0.446 335 I N -0.193 120.331 120.570 -0.076 0.000 2.235 335 I HA -0.170 4.001 4.170 0.001 0.000 0.241 335 I C 2.859 178.867 176.117 -0.180 0.000 1.085 335 I CA 1.730 62.961 61.300 -0.115 0.000 1.378 335 I CB -0.375 37.567 38.000 -0.097 0.000 1.076 335 I HN 0.492 nan 8.210 nan 0.000 0.415 336 T N -1.902 112.526 114.554 -0.211 0.000 2.904 336 T HA -0.128 4.223 4.350 0.001 0.000 0.267 336 T C 1.926 176.497 174.700 -0.215 0.000 1.059 336 T CA 1.187 63.189 62.100 -0.164 0.000 1.137 336 T CB -0.674 68.132 68.868 -0.104 0.000 0.879 336 T HN 0.392 nan 8.240 nan 0.000 0.467 337 S N 0.984 116.389 115.700 -0.492 0.000 2.515 337 S HA 0.089 4.560 4.470 0.001 0.000 0.231 337 S C 1.624 176.141 174.600 -0.139 0.000 0.987 337 S CA 0.058 57.953 58.200 -0.508 0.000 0.936 337 S CB -0.261 62.459 63.200 -0.799 0.000 0.766 337 S HN 0.328 nan 8.310 nan 0.000 0.528 338 K N 0.429 120.746 120.400 -0.138 0.000 2.387 338 K HA 0.308 4.629 4.320 0.001 0.000 0.203 338 K C 0.765 177.243 176.600 -0.203 0.000 1.030 338 K CA 0.247 56.425 56.287 -0.183 0.000 1.099 338 K CB 0.435 32.792 32.500 -0.239 0.000 0.863 338 K HN 0.356 nan 8.250 nan 0.000 0.529 339 T N -0.108 114.416 114.554 -0.050 0.000 3.056 339 T HA 0.232 4.583 4.350 0.001 0.000 0.243 339 T C 0.057 174.744 174.700 -0.021 0.000 0.995 339 T CA 0.088 62.087 62.100 -0.168 0.000 1.091 339 T CB 0.121 68.706 68.868 -0.473 0.000 0.990 339 T HN -0.076 nan 8.240 nan 0.000 0.464 340 F N 2.161 122.206 119.950 0.158 0.000 2.410 340 F HA 0.649 5.176 4.527 0.001 0.000 0.348 340 F C 0.524 176.235 175.800 -0.148 0.000 1.106 340 F CA -1.228 56.800 58.000 0.046 0.000 1.163 340 F CB 0.533 39.488 39.000 -0.076 0.000 1.129 340 F HN 0.019 nan 8.300 nan 0.000 0.516 341 A N 3.598 126.414 122.820 -0.007 0.000 2.350 341 A HA 0.651 4.972 4.320 0.001 0.000 0.324 341 A C -1.994 175.605 177.584 0.024 0.000 1.118 341 A CA -0.630 51.233 52.037 -0.290 0.000 0.783 341 A CB 0.897 19.666 19.000 -0.384 0.000 1.236 341 A HN 0.663 nan 8.150 nan 0.000 0.457 342 Y N 1.193 121.393 120.300 -0.167 0.000 2.352 342 Y HA 0.615 5.165 4.550 0.001 0.000 0.339 342 Y C -0.335 175.561 175.900 -0.007 0.000 0.992 342 Y CA -0.484 57.574 58.100 -0.069 0.000 1.100 342 Y CB 1.829 40.217 38.460 -0.119 0.000 1.192 342 Y HN 0.542 nan 8.280 nan 0.000 0.458 343 T N 7.081 121.390 114.554 -0.408 0.000 2.758 343 T HA 0.201 4.552 4.350 0.001 0.000 0.285 343 T C -0.570 173.680 174.700 -0.751 0.000 0.981 343 T CA -0.799 61.006 62.100 -0.492 0.000 0.965 343 T CB 0.159 68.913 68.868 -0.190 0.000 0.927 343 T HN 0.677 nan 8.240 nan 0.000 0.448 344 N N 2.281 120.588 118.700 -0.654 0.000 2.444 344 N HA 0.091 4.832 4.740 0.001 0.000 0.271 344 N C 0.113 175.606 175.510 -0.029 0.000 1.069 344 N CA -0.264 52.665 53.050 -0.202 0.000 0.965 344 N CB 0.598 39.125 38.487 0.066 0.000 1.092 344 N HN 0.692 nan 8.380 nan 0.000 0.476 345 H N 1.497 120.613 119.070 0.076 0.000 2.893 345 H HA 0.146 4.703 4.556 0.001 0.000 0.270 345 H C -0.168 175.089 175.328 -0.120 0.000 1.095 345 H CA -0.012 56.025 56.048 -0.018 0.000 1.186 345 H CB 1.160 30.929 29.762 0.012 0.000 1.562 345 H HN 0.547 nan 8.280 nan 0.000 0.536 346 T N 0.092 114.698 114.554 0.086 0.000 2.907 346 T HA 0.186 4.537 4.350 0.001 0.000 0.344 346 T C -0.210 174.534 174.700 0.075 0.000 1.675 346 T CA -0.612 61.482 62.100 -0.010 0.000 1.076 346 T CB 0.686 69.543 68.868 -0.017 0.000 1.483 346 T HN 0.095 nan 8.240 nan 0.000 0.487 347 L N 2.464 123.696 121.223 0.016 0.000 2.592 347 L HA 0.354 4.695 4.340 0.001 0.000 0.227 347 L C 0.936 177.778 176.870 -0.046 0.000 1.127 347 L CA -0.268 54.569 54.840 -0.005 0.000 0.884 347 L CB -0.087 41.952 42.059 -0.032 0.000 1.065 347 L HN 0.458 nan 8.230 nan 0.000 0.457 348 M N 1.216 120.771 119.600 -0.076 0.000 2.248 348 M HA 0.073 4.554 4.480 0.001 0.000 0.345 348 M C -1.163 175.142 176.300 0.007 0.000 1.243 348 M CA -2.204 53.076 55.300 -0.034 0.000 1.090 348 M CB 0.201 32.794 32.600 -0.011 0.000 1.683 348 M HN -0.218 nan 8.290 nan 0.000 0.450 349 P HA -0.174 nan 4.420 nan 0.000 0.217 349 P C 1.033 178.324 177.300 -0.015 0.000 1.150 349 P CA 1.274 64.374 63.100 -0.000 0.000 0.832 349 P CB -0.229 31.468 31.700 -0.006 0.000 0.787 350 E N 0.637 120.829 120.200 -0.014 0.000 2.273 350 E HA -0.177 4.173 4.350 0.001 0.000 0.198 350 E C 1.488 178.075 176.600 -0.020 0.000 1.002 350 E CA 1.770 58.145 56.400 -0.041 0.000 0.828 350 E CB -1.139 28.530 29.700 -0.051 0.000 0.747 350 E HN 0.237 nan 8.360 nan 0.000 0.491 351 A N 0.857 123.680 122.820 0.006 0.000 2.275 351 A HA 0.281 4.602 4.320 0.001 0.000 0.212 351 A C 1.182 178.780 177.584 0.024 0.000 1.201 351 A CA -0.265 51.779 52.037 0.011 0.000 0.843 351 A CB 0.020 19.045 19.000 0.042 0.000 0.873 351 A HN 0.162 nan 8.150 nan 0.000 0.492 352 L N 1.521 122.756 121.223 0.021 0.000 2.504 352 L HA 0.279 4.620 4.340 0.001 0.000 0.249 352 L C -0.475 176.375 176.870 -0.034 0.000 1.120 352 L CA -0.372 54.495 54.840 0.045 0.000 0.997 352 L CB 0.516 42.621 42.059 0.077 0.000 1.349 352 L HN 0.250 nan 8.230 nan 0.000 0.439 353 E N 2.051 122.205 120.200 -0.077 0.000 2.418 353 E HA 0.295 4.646 4.350 0.001 0.000 0.261 353 E C -0.261 176.154 176.600 -0.309 0.000 1.070 353 E CA 0.131 56.377 56.400 -0.257 0.000 0.931 353 E CB 0.875 30.424 29.700 -0.252 0.000 0.954 353 E HN 0.370 nan 8.360 nan 0.000 0.439 354 R N 1.909 122.088 120.500 -0.535 0.000 2.621 354 R HA 0.349 4.690 4.340 0.001 0.000 0.284 354 R C -1.453 174.496 176.300 -0.585 0.000 0.998 354 R CA -0.714 55.116 56.100 -0.449 0.000 0.895 354 R CB 1.324 31.406 30.300 -0.364 0.000 1.195 354 R HN 0.477 nan 8.270 nan 0.000 0.450 355 W N 1.624 122.874 121.300 -0.082 0.000 2.702 355 W HA 0.289 4.950 4.660 0.001 0.000 0.331 355 W C -0.334 176.169 176.519 -0.026 0.000 1.049 355 W CA -0.696 56.631 57.345 -0.031 0.000 1.230 355 W CB 1.319 30.772 29.460 -0.013 0.000 1.408 355 W HN 0.311 nan 8.180 nan 0.000 0.492 356 D N 1.448 121.991 120.400 0.239 0.000 2.488 356 D HA -0.043 4.598 4.640 0.001 0.000 0.238 356 D C 1.162 177.559 176.300 0.162 0.000 1.138 356 D CA 0.278 54.374 54.000 0.161 0.000 0.873 356 D CB 1.661 42.557 40.800 0.160 0.000 1.183 356 D HN 0.138 nan 8.370 nan 0.000 0.458 357 V N 3.211 123.193 119.914 0.113 0.000 2.407 357 V HA -0.303 3.818 4.120 0.001 0.000 0.248 357 V C 2.316 178.458 176.094 0.080 0.000 1.055 357 V CA 2.262 64.617 62.300 0.092 0.000 1.049 357 V CB -0.476 31.391 31.823 0.075 0.000 0.662 357 V HN 0.634 nan 8.190 nan 0.000 0.455 358 K N 0.489 120.940 120.400 0.086 0.000 2.211 358 K HA -0.150 4.170 4.320 0.001 0.000 0.203 358 K C 1.910 178.569 176.600 0.098 0.000 1.050 358 K CA 1.629 57.963 56.287 0.079 0.000 0.945 358 K CB -0.436 32.105 32.500 0.069 0.000 0.732 358 K HN 0.355 nan 8.250 nan 0.000 0.451 359 L N 0.827 122.130 121.223 0.134 0.000 2.023 359 L HA -0.051 4.290 4.340 0.001 0.000 0.205 359 L C 2.083 178.974 176.870 0.036 0.000 1.073 359 L CA 1.204 56.129 54.840 0.141 0.000 0.745 359 L CB -0.265 41.926 42.059 0.220 0.000 0.900 359 L HN 0.091 nan 8.230 nan 0.000 0.435 360 V N -0.256 119.666 119.914 0.013 0.000 2.287 360 V HA -0.335 3.786 4.120 0.001 0.000 0.248 360 V C 2.625 178.681 176.094 -0.063 0.000 1.053 360 V CA 2.162 64.418 62.300 -0.073 0.000 1.027 360 V CB -0.736 31.060 31.823 -0.045 0.000 0.646 360 V HN 0.430 nan 8.190 nan 0.000 0.447 361 K N 0.313 120.705 120.400 -0.012 0.000 2.063 361 K HA -0.155 4.166 4.320 0.001 0.000 0.208 361 K C 2.116 178.711 176.600 -0.009 0.000 1.048 361 K CA 1.639 57.918 56.287 -0.013 0.000 0.928 361 K CB -0.693 31.816 32.500 0.015 0.000 0.713 361 K HN 0.539 nan 8.250 nan 0.000 0.442 362 G N -0.054 108.756 108.800 0.016 0.000 2.421 362 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 362 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 362 G C 1.249 176.168 174.900 0.031 0.000 1.143 362 G CA 0.282 45.406 45.100 0.040 0.000 0.784 362 G HN 0.141 nan 8.290 nan 0.000 0.541 363 L N -0.478 120.734 121.223 -0.018 0.000 2.168 363 L HA 0.475 4.816 4.340 0.001 0.000 0.203 363 L C 0.935 177.749 176.870 -0.094 0.000 1.078 363 L CA 0.984 55.797 54.840 -0.044 0.000 0.780 363 L CB -0.002 41.986 42.059 -0.117 0.000 0.939 363 L HN 0.058 nan 8.230 nan 0.000 0.451 364 L N 1.086 122.192 121.223 -0.194 0.000 2.529 364 L HA 0.279 4.619 4.340 0.001 0.000 0.246 364 L C -1.586 175.105 176.870 -0.299 0.000 1.394 364 L CA -0.971 53.661 54.840 -0.346 0.000 0.906 364 L CB 1.073 42.795 42.059 -0.560 0.000 1.170 364 L HN -0.056 nan 8.230 nan 0.000 0.501 365 P HA -0.214 nan 4.420 nan 0.000 0.216 365 P C 1.420 178.547 177.300 -0.288 0.000 1.150 365 P CA 1.203 64.177 63.100 -0.210 0.000 0.843 365 P CB 0.408 32.051 31.700 -0.096 0.000 0.787 366 R N -0.333 119.822 120.500 -0.576 0.000 2.073 366 R HA -0.109 4.232 4.340 0.001 0.000 0.229 366 R C 2.341 178.404 176.300 -0.395 0.000 1.120 366 R CA 1.595 57.399 56.100 -0.493 0.000 0.967 366 R CB -1.602 28.274 30.300 -0.707 0.000 0.862 366 R HN 0.234 nan 8.270 nan 0.000 0.436 367 H N -0.927 117.890 119.070 -0.422 0.000 2.357 367 H HA -0.052 4.505 4.556 0.001 0.000 0.301 367 H C 1.681 176.926 175.328 -0.138 0.000 1.082 367 H CA 1.923 57.823 56.048 -0.248 0.000 1.342 367 H CB -0.201 29.378 29.762 -0.305 0.000 1.389 367 H HN 0.102 nan 8.280 nan 0.000 0.511 368 M N 0.951 120.530 119.600 -0.036 0.000 2.082 368 M HA -0.235 4.246 4.480 0.001 0.000 0.258 368 M C 1.909 178.210 176.300 0.002 0.000 1.069 368 M CA 1.689 56.982 55.300 -0.012 0.000 1.102 368 M CB -0.325 32.258 32.600 -0.029 0.000 1.336 368 M HN 0.263 nan 8.290 nan 0.000 0.404 369 Q N -0.529 119.254 119.800 -0.028 0.000 2.096 369 Q HA -0.230 4.111 4.340 0.001 0.000 0.208 369 Q C 2.115 178.132 176.000 0.028 0.000 0.993 369 Q CA 2.173 57.970 55.803 -0.009 0.000 0.862 369 Q CB -0.501 28.222 28.738 -0.025 0.000 0.915 369 Q HN 0.575 nan 8.270 nan 0.000 0.416 370 I N 0.022 120.621 120.570 0.049 0.000 2.353 370 I HA -0.233 3.938 4.170 0.001 0.000 0.248 370 I C 2.074 178.316 176.117 0.208 0.000 1.119 370 I CA 0.853 62.256 61.300 0.172 0.000 1.417 370 I CB -0.120 37.973 38.000 0.154 0.000 1.078 370 I HN 0.212 nan 8.210 nan 0.000 0.421 371 I N 0.755 121.409 120.570 0.141 0.000 2.394 371 I HA -0.257 3.914 4.170 0.001 0.000 0.251 371 I C 2.133 178.339 176.117 0.148 0.000 1.136 371 I CA 1.000 62.394 61.300 0.157 0.000 1.425 371 I CB -0.438 37.633 38.000 0.119 0.000 1.079 371 I HN 0.291 nan 8.210 nan 0.000 0.425 372 N N 0.717 119.477 118.700 0.101 0.000 2.142 372 N HA -0.223 4.517 4.740 0.001 0.000 0.186 372 N C 1.784 177.322 175.510 0.047 0.000 1.023 372 N CA 1.268 54.369 53.050 0.085 0.000 0.852 372 N CB -0.226 38.290 38.487 0.049 0.000 0.998 372 N HN 0.396 nan 8.380 nan 0.000 0.424 373 E N 1.236 121.425 120.200 -0.017 0.000 2.058 373 E HA -0.082 4.269 4.350 0.001 0.000 0.194 373 E C 1.995 178.517 176.600 -0.131 0.000 0.997 373 E CA 1.015 57.295 56.400 -0.200 0.000 0.801 373 E CB -0.243 29.196 29.700 -0.434 0.000 0.746 373 E HN 0.302 nan 8.360 nan 0.000 0.450 374 I N 0.730 121.373 120.570 0.121 0.000 2.163 374 I HA -0.309 3.861 4.170 0.001 0.000 0.243 374 I C 2.399 178.650 176.117 0.223 0.000 1.085 374 I CA 1.464 62.898 61.300 0.223 0.000 1.347 374 I CB -0.562 37.647 38.000 0.348 0.000 1.044 374 I HN 0.253 nan 8.210 nan 0.000 0.408 375 N N 0.592 119.447 118.700 0.258 0.000 2.069 375 N HA -0.177 4.564 4.740 0.001 0.000 0.191 375 N C 1.783 177.512 175.510 0.364 0.000 1.031 375 N CA 2.184 55.471 53.050 0.395 0.000 0.852 375 N CB -0.237 38.457 38.487 0.346 0.000 1.018 375 N HN 0.175 nan 8.380 nan 0.000 0.423 376 T N 0.333 114.982 114.554 0.158 0.000 2.652 376 T HA -0.093 4.258 4.350 0.001 0.000 0.267 376 T C 1.885 176.587 174.700 0.004 0.000 1.039 376 T CA 1.251 63.374 62.100 0.039 0.000 1.153 376 T CB -0.173 68.663 68.868 -0.052 0.000 0.863 376 T HN 0.291 nan 8.240 nan 0.000 0.428 377 R N -0.158 120.331 120.500 -0.019 0.000 2.096 377 R HA -0.033 4.307 4.340 0.001 0.000 0.235 377 R C 2.193 178.575 176.300 0.138 0.000 1.127 377 R CA 1.237 57.319 56.100 -0.029 0.000 0.968 377 R CB -0.485 29.726 30.300 -0.149 0.000 0.861 377 R HN 0.306 nan 8.270 nan 0.000 0.440 378 F N 2.283 122.294 119.950 0.102 0.000 2.134 378 F HA -0.167 4.361 4.527 0.001 0.000 0.299 378 F C 2.156 178.099 175.800 0.240 0.000 1.097 378 F CA 1.374 59.523 58.000 0.248 0.000 1.264 378 F CB -0.272 38.965 39.000 0.394 0.000 1.001 378 F HN -0.188 nan 8.300 nan 0.000 0.479 379 K N -0.434 119.967 120.400 0.002 0.000 2.127 379 K HA -0.224 4.096 4.320 0.001 0.000 0.208 379 K C 1.956 178.350 176.600 -0.343 0.000 1.047 379 K CA 2.051 58.032 56.287 -0.509 0.000 0.927 379 K CB -0.392 31.699 32.500 -0.682 0.000 0.716 379 K HN 0.309 nan 8.250 nan 0.000 0.450 380 T N 1.859 116.302 114.554 -0.185 0.000 2.580 380 T HA -0.213 4.137 4.350 0.001 0.000 0.265 380 T C 1.685 176.317 174.700 -0.113 0.000 1.063 380 T CA 1.590 63.612 62.100 -0.131 0.000 1.170 380 T CB -0.358 68.469 68.868 -0.068 0.000 0.863 380 T HN 0.161 nan 8.240 nan 0.000 0.418 381 L N 1.113 122.291 121.223 -0.076 0.000 2.042 381 L HA -0.072 4.269 4.340 0.001 0.000 0.210 381 L C 2.472 179.286 176.870 -0.093 0.000 1.076 381 L CA 1.476 56.287 54.840 -0.048 0.000 0.749 381 L CB -0.766 41.336 42.059 0.072 0.000 0.893 381 L HN 0.111 nan 8.230 nan 0.000 0.432 382 V N -0.570 119.226 119.914 -0.197 0.000 2.358 382 V HA -0.224 3.897 4.120 0.001 0.000 0.246 382 V C 2.677 178.825 176.094 0.090 0.000 1.047 382 V CA 1.750 64.059 62.300 0.014 0.000 1.035 382 V CB -0.636 31.184 31.823 -0.006 0.000 0.658 382 V HN 0.485 nan 8.190 nan 0.000 0.452 383 E N 0.814 120.971 120.200 -0.071 0.000 2.058 383 E HA -0.269 4.081 4.350 0.001 0.000 0.194 383 E C 2.311 178.895 176.600 -0.028 0.000 0.997 383 E CA 1.901 58.261 56.400 -0.068 0.000 0.801 383 E CB -0.238 29.370 29.700 -0.154 0.000 0.746 383 E HN 0.652 nan 8.360 nan 0.000 0.450 384 K N -0.393 119.973 120.400 -0.057 0.000 2.057 384 K HA -0.105 4.216 4.320 0.001 0.000 0.207 384 K C 1.950 178.484 176.600 -0.111 0.000 1.049 384 K CA 1.807 58.052 56.287 -0.070 0.000 0.931 384 K CB -0.158 32.299 32.500 -0.071 0.000 0.714 384 K HN -0.004 nan 8.250 nan 0.000 0.440 385 T N -0.274 114.187 114.554 -0.154 0.000 2.978 385 T HA -0.019 4.331 4.350 0.001 0.000 0.262 385 T C -0.025 174.376 174.700 -0.497 0.000 1.063 385 T CA 0.633 62.469 62.100 -0.439 0.000 1.140 385 T CB 0.021 68.444 68.868 -0.741 0.000 0.886 385 T HN 0.332 nan 8.240 nan 0.000 0.470 386 W N 2.187 123.448 121.300 -0.065 0.000 2.104 386 W HA 0.311 4.971 4.660 0.001 0.000 0.291 386 W C -3.119 173.371 176.519 -0.048 0.000 0.936 386 W CA -2.721 54.594 57.345 -0.049 0.000 1.856 386 W CB 0.027 29.464 29.460 -0.038 0.000 2.036 386 W HN -0.008 nan 8.180 nan 0.000 0.393 387 P HA -0.080 nan 4.420 nan 0.000 0.252 387 P C 1.129 178.461 177.300 0.054 0.000 1.147 387 P CA 2.168 65.294 63.100 0.044 0.000 0.779 387 P CB 0.087 31.794 31.700 0.011 0.000 0.733 388 G N 2.711 111.528 108.800 0.028 0.000 2.196 388 G HA2 -0.289 3.672 3.960 0.001 0.000 0.268 388 G HA3 -0.289 3.672 3.960 0.001 0.000 0.268 388 G C 0.258 175.183 174.900 0.040 0.000 0.975 388 G CA 0.151 45.263 45.100 0.019 0.000 0.648 388 G HN 0.621 nan 8.290 nan 0.000 0.538 389 D N 0.683 121.126 120.400 0.072 0.000 2.338 389 D HA 0.335 4.975 4.640 0.001 0.000 0.255 389 D C 1.368 177.702 176.300 0.057 0.000 1.237 389 D CA -0.300 53.732 54.000 0.054 0.000 0.883 389 D CB 0.530 41.361 40.800 0.050 0.000 1.087 389 D HN 0.226 nan 8.370 nan 0.000 0.485 390 E N 2.988 123.223 120.200 0.059 0.000 2.435 390 E HA -0.049 4.301 4.350 0.001 0.000 0.195 390 E C 1.225 177.870 176.600 0.077 0.000 1.029 390 E CA 0.423 56.892 56.400 0.115 0.000 0.865 390 E CB 0.342 30.108 29.700 0.110 0.000 0.833 390 E HN 0.361 nan 8.360 nan 0.000 0.510 391 K N 0.060 120.454 120.400 -0.009 0.000 2.076 391 K HA 0.017 4.338 4.320 0.001 0.000 0.204 391 K C 2.038 178.541 176.600 -0.163 0.000 1.051 391 K CA 0.331 56.568 56.287 -0.083 0.000 0.949 391 K CB -0.391 32.054 32.500 -0.091 0.000 0.726 391 K HN -0.103 nan 8.250 nan 0.000 0.443 392 V N 0.553 120.350 119.914 -0.194 0.000 2.427 392 V HA -0.222 3.899 4.120 0.001 0.000 0.248 392 V C 1.806 177.757 176.094 -0.239 0.000 1.051 392 V CA 1.459 63.545 62.300 -0.357 0.000 1.048 392 V CB -0.333 31.120 31.823 -0.617 0.000 0.666 392 V HN 0.534 nan 8.190 nan 0.000 0.456 393 W N 0.835 121.996 121.300 -0.231 0.000 2.379 393 W HA -0.211 4.449 4.660 0.001 0.000 0.307 393 W C 2.391 178.797 176.519 -0.188 0.000 1.200 393 W CA 1.623 58.879 57.345 -0.149 0.000 1.297 393 W CB -0.284 29.147 29.460 -0.048 0.000 1.140 393 W HN 0.307 nan 8.180 nan 0.000 0.507 394 A N 1.130 123.726 122.820 -0.373 0.000 1.927 394 A HA -0.328 3.993 4.320 0.001 0.000 0.220 394 A C 1.960 179.065 177.584 -0.799 0.000 1.185 394 A CA 2.582 54.110 52.037 -0.849 0.000 0.639 394 A CB -1.008 17.671 19.000 -0.535 0.000 0.820 394 A HN 0.401 nan 8.150 nan 0.000 0.451 395 K N -0.929 119.156 120.400 -0.524 0.000 2.228 395 K HA 0.166 4.487 4.320 0.001 0.000 0.202 395 K C 1.381 177.742 176.600 -0.398 0.000 1.051 395 K CA 0.766 56.798 56.287 -0.425 0.000 0.960 395 K CB -0.102 32.189 32.500 -0.348 0.000 0.743 395 K HN 0.505 nan 8.250 nan 0.000 0.458 396 L N 0.089 121.057 121.223 -0.426 0.000 2.638 396 L HA 0.326 4.667 4.340 0.001 0.000 0.232 396 L C 0.484 177.260 176.870 -0.157 0.000 1.099 396 L CA -0.477 54.248 54.840 -0.192 0.000 0.883 396 L CB 0.273 42.284 42.059 -0.079 0.000 1.136 396 L HN 0.030 nan 8.230 nan 0.000 0.492 397 A N 0.403 122.766 122.820 -0.762 0.000 2.511 397 A HA 0.188 4.509 4.320 0.001 0.000 0.242 397 A C 1.326 178.796 177.584 -0.191 0.000 1.069 397 A CA -0.058 51.434 52.037 -0.908 0.000 0.763 397 A CB 0.606 18.940 19.000 -1.111 0.000 1.001 397 A HN 0.001 nan 8.150 nan 0.000 0.498 398 V N 2.739 122.692 119.914 0.066 0.000 2.379 398 V HA -0.088 4.033 4.120 0.001 0.000 0.245 398 V C 0.839 177.077 176.094 0.240 0.000 1.044 398 V CA 1.461 63.858 62.300 0.162 0.000 1.036 398 V CB -0.378 31.552 31.823 0.177 0.000 0.664 398 V HN 0.576 nan 8.190 nan 0.000 0.453 399 V N 0.922 120.978 119.914 0.238 0.000 2.495 399 V HA 0.586 4.706 4.120 0.001 0.000 0.298 399 V C -0.563 175.703 176.094 0.287 0.000 1.031 399 V CA -0.478 61.981 62.300 0.265 0.000 0.871 399 V CB 1.513 33.465 31.823 0.214 0.000 0.988 399 V HN 0.507 nan 8.190 nan 0.000 0.432 400 H N 3.358 122.545 119.070 0.195 0.000 3.094 400 H HA 0.192 4.749 4.556 0.001 0.000 0.335 400 H C -0.588 174.837 175.328 0.162 0.000 1.254 400 H CA -0.350 55.775 56.048 0.129 0.000 1.240 400 H CB 1.976 31.712 29.762 -0.042 0.000 1.936 400 H HN 0.696 nan 8.280 nan 0.000 0.536 401 D N 3.543 123.871 120.400 -0.120 0.000 2.686 401 D HA -0.187 4.454 4.640 0.001 0.000 0.235 401 D C 0.241 176.585 176.300 0.074 0.000 1.160 401 D CA 1.640 55.670 54.000 0.051 0.000 0.645 401 D CB -0.518 40.431 40.800 0.248 0.000 1.039 401 D HN 0.682 nan 8.370 nan 0.000 0.423 402 K N -2.065 118.360 120.400 0.043 0.000 3.349 402 K HA -0.257 4.064 4.320 0.001 0.000 0.310 402 K C 0.123 176.766 176.600 0.072 0.000 1.267 402 K CA 1.271 57.591 56.287 0.056 0.000 0.920 402 K CB -1.468 31.059 32.500 0.045 0.000 1.240 402 K HN 0.621 nan 8.250 nan 0.000 0.453 403 Q N 0.153 120.005 119.800 0.087 0.000 2.387 403 Q HA 0.529 4.870 4.340 0.001 0.000 0.273 403 Q C -0.401 175.610 176.000 0.018 0.000 1.089 403 Q CA -0.877 54.938 55.803 0.020 0.000 0.824 403 Q CB 2.702 31.384 28.738 -0.094 0.000 1.367 403 Q HN -0.050 nan 8.270 nan 0.000 0.443 404 V N 1.852 121.767 119.914 0.002 0.000 2.427 404 V HA 0.216 4.337 4.120 0.001 0.000 0.286 404 V C -0.310 175.707 176.094 -0.128 0.000 1.034 404 V CA -0.664 61.669 62.300 0.056 0.000 0.893 404 V CB 1.151 33.060 31.823 0.144 0.000 0.982 404 V HN 0.651 nan 8.190 nan 0.000 0.452 405 H N 6.097 125.222 119.070 0.091 0.000 2.741 405 H HA 0.257 4.814 4.556 0.001 0.000 0.282 405 H C 0.494 175.854 175.328 0.053 0.000 1.122 405 H CA -0.679 55.407 56.048 0.063 0.000 1.293 405 H CB 1.495 31.291 29.762 0.056 0.000 1.415 405 H HN 0.537 nan 8.280 nan 0.000 0.472 406 M N 1.775 121.429 119.600 0.091 0.000 2.117 406 M HA -0.110 4.371 4.480 0.001 0.000 0.262 406 M C 2.430 178.696 176.300 -0.057 0.000 1.065 406 M CA 1.109 56.440 55.300 0.051 0.000 1.114 406 M CB -1.106 31.555 32.600 0.102 0.000 1.361 406 M HN 0.643 nan 8.290 nan 0.000 0.408 407 A N 0.768 123.578 122.820 -0.016 0.000 1.908 407 A HA -0.202 4.119 4.320 0.001 0.000 0.218 407 A C 2.053 179.518 177.584 -0.199 0.000 1.181 407 A CA 2.010 53.989 52.037 -0.096 0.000 0.627 407 A CB -0.866 18.311 19.000 0.295 0.000 0.818 407 A HN 0.481 nan 8.150 nan 0.000 0.445 408 N N -0.246 118.451 118.700 -0.005 0.000 2.104 408 N HA -0.141 4.600 4.740 0.001 0.000 0.190 408 N C 1.521 176.891 175.510 -0.234 0.000 1.024 408 N CA 1.465 54.478 53.050 -0.060 0.000 0.853 408 N CB -0.540 38.032 38.487 0.143 0.000 1.008 408 N HN 0.435 nan 8.380 nan 0.000 0.424 409 L N 0.469 121.603 121.223 -0.149 0.000 2.141 409 L HA -0.043 4.298 4.340 0.001 0.000 0.209 409 L C 1.826 178.514 176.870 -0.304 0.000 1.094 409 L CA 1.446 56.187 54.840 -0.165 0.000 0.763 409 L CB -0.878 41.148 42.059 -0.055 0.000 0.908 409 L HN 0.156 nan 8.230 nan 0.000 0.437 410 C N -1.751 117.283 119.300 -0.443 0.000 2.466 410 C HA -0.073 4.387 4.460 0.001 0.000 0.278 410 C C 2.923 177.604 174.990 -0.514 0.000 1.288 410 C CA 0.854 59.534 59.018 -0.563 0.000 1.722 410 C CB -0.944 26.137 27.740 -1.099 0.000 2.017 410 C HN 0.578 nan 8.230 nan 0.000 0.488 411 V N 0.581 120.132 119.914 -0.604 0.000 2.427 411 V HA -0.100 4.021 4.120 0.001 0.000 0.248 411 V C 2.185 177.904 176.094 -0.625 0.000 1.051 411 V CA 2.261 64.189 62.300 -0.619 0.000 1.048 411 V CB -0.463 30.868 31.823 -0.821 0.000 0.666 411 V HN 0.392 nan 8.190 nan 0.000 0.456 412 V N 1.179 120.743 119.914 -0.584 0.000 2.515 412 V HA 0.008 4.129 4.120 0.001 0.000 0.250 412 V C 2.546 178.490 176.094 -0.250 0.000 1.058 412 V CA 1.958 63.978 62.300 -0.468 0.000 1.064 412 V CB -0.784 30.734 31.823 -0.507 0.000 0.675 412 V HN 0.682 nan 8.190 nan 0.000 0.461 413 G N -1.046 107.596 108.800 -0.263 0.000 3.088 413 G HA2 0.402 4.363 3.960 0.001 0.000 0.217 413 G HA3 0.402 4.363 3.960 0.001 0.000 0.217 413 G C 0.549 175.214 174.900 -0.392 0.000 1.159 413 G CA 0.641 45.546 45.100 -0.326 0.000 0.760 413 G HN 0.612 nan 8.290 nan 0.000 0.550 414 G N -0.469 108.142 108.800 -0.314 0.000 2.932 414 G HA2 0.472 4.433 3.960 0.001 0.000 0.283 414 G HA3 0.472 4.433 3.960 0.001 0.000 0.283 414 G C 0.191 174.968 174.900 -0.206 0.000 1.336 414 G CA -0.697 44.291 45.100 -0.187 0.000 1.056 414 G HN 0.246 nan 8.290 nan 0.000 0.522 415 F N -1.642 118.215 119.950 -0.156 0.000 2.695 415 F HA 0.749 5.276 4.527 0.001 0.000 0.303 415 F C 0.438 176.176 175.800 -0.104 0.000 1.091 415 F CA -0.539 57.368 58.000 -0.155 0.000 1.300 415 F CB 0.249 39.193 39.000 -0.094 0.000 1.071 415 F HN 0.553 nan 8.300 nan 0.000 0.578 416 A N 0.361 122.745 122.820 -0.727 0.000 2.566 416 A HA 0.734 5.055 4.320 0.001 0.000 0.297 416 A C -1.741 175.616 177.584 -0.379 0.000 1.059 416 A CA -0.664 51.087 52.037 -0.477 0.000 0.691 416 A CB 1.486 20.110 19.000 -0.626 0.000 1.282 416 A HN 0.059 nan 8.150 nan 0.000 0.401 417 V N 3.788 123.539 119.914 -0.271 0.000 2.623 417 V HA 0.562 4.682 4.120 0.001 0.000 0.304 417 V C -0.891 175.165 176.094 -0.063 0.000 1.054 417 V CA -0.732 61.432 62.300 -0.226 0.000 0.882 417 V CB 1.887 33.474 31.823 -0.394 0.000 1.002 417 V HN 1.033 nan 8.190 nan 0.000 0.424 418 N N 3.099 121.744 118.700 -0.093 0.000 2.229 418 N HA 0.609 5.350 4.740 0.001 0.000 0.298 418 N C -0.281 175.208 175.510 -0.034 0.000 1.114 418 N CA -0.344 52.694 53.050 -0.020 0.000 0.776 418 N CB 2.892 41.328 38.487 -0.085 0.000 1.501 418 N HN 0.646 nan 8.380 nan 0.000 0.474 419 G N -0.682 108.133 108.800 0.026 0.000 2.535 419 G HA2 0.424 4.385 3.960 0.001 0.000 0.303 419 G HA3 0.424 4.385 3.960 0.001 0.000 0.303 419 G C 0.680 175.683 174.900 0.172 0.000 1.237 419 G CA -0.518 44.650 45.100 0.112 0.000 0.986 419 G HN 0.662 nan 8.290 nan 0.000 0.494 420 V N -3.565 116.549 119.914 0.333 0.000 3.214 420 V HA 0.706 4.827 4.120 0.001 0.000 0.330 420 V C 0.448 176.628 176.094 0.143 0.000 1.403 420 V CA 0.191 62.581 62.300 0.150 0.000 1.143 420 V CB -0.882 30.987 31.823 0.077 0.000 1.098 420 V HN 1.462 nan 8.190 nan 0.000 0.463 421 A N -0.707 122.213 122.820 0.166 0.000 2.590 421 A HA 0.823 5.144 4.320 0.001 0.000 0.296 421 A C 0.782 178.427 177.584 0.102 0.000 1.050 421 A CA 0.001 52.114 52.037 0.126 0.000 0.697 421 A CB 0.635 19.708 19.000 0.122 0.000 1.277 421 A HN 1.051 nan 8.150 nan 0.000 0.411 422 A N 0.699 123.558 122.820 0.065 0.000 1.903 422 A HA -0.147 4.174 4.320 0.001 0.000 0.219 422 A C 1.949 179.549 177.584 0.026 0.000 1.191 422 A CA 2.135 54.192 52.037 0.033 0.000 0.638 422 A CB -0.803 18.211 19.000 0.023 0.000 0.823 422 A HN 1.555 nan 8.150 nan 0.000 0.451 423 L N -1.537 119.712 121.223 0.043 0.000 2.056 423 L HA -0.187 4.154 4.340 0.001 0.000 0.207 423 L C 2.688 179.578 176.870 0.033 0.000 1.078 423 L CA 2.200 57.056 54.840 0.026 0.000 0.749 423 L CB -0.517 41.559 42.059 0.029 0.000 0.901 423 L HN 0.742 nan 8.230 nan 0.000 0.433 424 H N -0.866 118.193 119.070 -0.019 0.000 2.326 424 H HA -0.118 4.439 4.556 0.001 0.000 0.301 424 H C 2.082 177.393 175.328 -0.028 0.000 1.081 424 H CA 1.555 57.586 56.048 -0.028 0.000 1.334 424 H CB 0.305 30.057 29.762 -0.017 0.000 1.385 424 H HN 0.329 nan 8.280 nan 0.000 0.504 425 S N 0.245 115.892 115.700 -0.087 0.000 2.442 425 S HA -0.144 4.327 4.470 0.001 0.000 0.236 425 S C 1.634 176.143 174.600 -0.152 0.000 1.007 425 S CA 1.419 59.534 58.200 -0.142 0.000 0.965 425 S CB -0.224 62.964 63.200 -0.019 0.000 0.773 425 S HN 0.612 nan 8.310 nan 0.000 0.504 426 D N 1.312 121.638 120.400 -0.124 0.000 2.137 426 D HA 0.012 4.652 4.640 0.001 0.000 0.202 426 D C 1.795 177.999 176.300 -0.160 0.000 0.970 426 D CA 0.689 54.612 54.000 -0.127 0.000 0.837 426 D CB -0.174 40.578 40.800 -0.081 0.000 0.981 426 D HN 0.280 nan 8.370 nan 0.000 0.475 427 L N -0.041 121.081 121.223 -0.167 0.000 2.131 427 L HA -0.107 4.234 4.340 0.001 0.000 0.210 427 L C 2.513 179.237 176.870 -0.243 0.000 1.092 427 L CA 0.408 55.140 54.840 -0.181 0.000 0.759 427 L CB -0.334 41.636 42.059 -0.147 0.000 0.903 427 L HN 0.074 nan 8.230 nan 0.000 0.435 428 V N -0.638 119.083 119.914 -0.322 0.000 2.287 428 V HA -0.282 3.838 4.120 0.001 0.000 0.248 428 V C 2.405 178.391 176.094 -0.179 0.000 1.053 428 V CA 1.701 63.836 62.300 -0.276 0.000 1.027 428 V CB -0.242 31.454 31.823 -0.211 0.000 0.646 428 V HN 0.188 nan 8.190 nan 0.000 0.447 429 V N -0.737 119.049 119.914 -0.214 0.000 2.358 429 V HA -0.235 3.886 4.120 0.001 0.000 0.246 429 V C 2.416 178.370 176.094 -0.234 0.000 1.047 429 V CA 2.087 64.178 62.300 -0.347 0.000 1.035 429 V CB -0.461 31.017 31.823 -0.576 0.000 0.658 429 V HN 0.520 nan 8.190 nan 0.000 0.452 430 K N -0.877 119.410 120.400 -0.188 0.000 2.116 430 K HA -0.089 4.232 4.320 0.001 0.000 0.203 430 K C 1.568 178.100 176.600 -0.113 0.000 1.052 430 K CA 1.506 57.716 56.287 -0.128 0.000 0.952 430 K CB -0.018 32.416 32.500 -0.109 0.000 0.729 430 K HN 0.394 nan 8.250 nan 0.000 0.446 431 D N -0.605 119.709 120.400 -0.143 0.000 2.470 431 D HA -0.004 4.637 4.640 0.001 0.000 0.238 431 D C 1.358 177.545 176.300 -0.188 0.000 1.054 431 D CA 0.232 54.146 54.000 -0.143 0.000 0.896 431 D CB 0.366 41.079 40.800 -0.144 0.000 1.118 431 D HN -0.048 nan 8.370 nan 0.000 0.497 432 L N -0.906 120.152 121.223 -0.276 0.000 2.189 432 L HA 0.250 4.591 4.340 0.001 0.000 0.199 432 L C 0.016 176.579 176.870 -0.512 0.000 1.074 432 L CA 1.346 55.879 54.840 -0.511 0.000 0.783 432 L CB 0.063 41.683 42.059 -0.732 0.000 0.955 432 L HN -0.186 nan 8.230 nan 0.000 0.460 433 F N 0.124 120.125 119.950 0.084 0.000 2.761 433 F HA 0.434 4.962 4.527 0.001 0.000 0.367 433 F C -1.748 174.078 175.800 0.043 0.000 1.386 433 F CA -2.625 55.482 58.000 0.179 0.000 1.177 433 F CB -0.555 38.762 39.000 0.529 0.000 1.092 433 F HN 0.011 nan 8.300 nan 0.000 0.517 434 P HA -0.184 nan 4.420 nan 0.000 0.215 434 P C 1.268 178.620 177.300 0.088 0.000 1.157 434 P CA 1.724 64.849 63.100 0.041 0.000 0.874 434 P CB 0.438 32.129 31.700 -0.014 0.000 0.790 435 E N -1.340 118.864 120.200 0.007 0.000 2.047 435 E HA -0.180 4.171 4.350 0.001 0.000 0.191 435 E C 2.126 178.816 176.600 0.150 0.000 0.987 435 E CA 1.182 57.579 56.400 -0.005 0.000 0.799 435 E CB -1.112 28.385 29.700 -0.338 0.000 0.752 435 E HN 0.295 nan 8.360 nan 0.000 0.449 436 Y N 0.219 120.697 120.300 0.298 0.000 2.207 436 Y HA -0.214 4.337 4.550 0.001 0.000 0.287 436 Y C 2.425 178.604 175.900 0.465 0.000 1.156 436 Y CA 1.520 59.863 58.100 0.406 0.000 1.182 436 Y CB -0.727 38.118 38.460 0.643 0.000 0.979 436 Y HN 0.333 nan 8.280 nan 0.000 0.521 437 H N 0.177 119.450 119.070 0.338 0.000 2.389 437 H HA -0.153 4.403 4.556 0.001 0.000 0.299 437 H C 1.809 177.214 175.328 0.128 0.000 1.081 437 H CA 1.543 57.611 56.048 0.032 0.000 1.345 437 H CB 0.202 29.668 29.762 -0.493 0.000 1.393 437 H HN 0.445 nan 8.280 nan 0.000 0.520 438 Q N 0.324 120.129 119.800 0.009 0.000 2.045 438 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 438 Q C 2.721 178.680 176.000 -0.069 0.000 0.991 438 Q CA 1.763 57.542 55.803 -0.039 0.000 0.851 438 Q CB 0.046 28.859 28.738 0.124 0.000 0.911 438 Q HN 0.477 nan 8.270 nan 0.000 0.418 439 L N -1.332 119.862 121.223 -0.048 0.000 2.141 439 L HA -0.111 4.230 4.340 0.001 0.000 0.209 439 L C 0.717 177.437 176.870 -0.250 0.000 1.094 439 L CA 0.553 55.206 54.840 -0.311 0.000 0.763 439 L CB 0.036 41.655 42.059 -0.734 0.000 0.908 439 L HN 0.362 nan 8.230 nan 0.000 0.437 440 W N -0.506 120.957 121.300 0.271 0.000 1.590 440 W HA 0.283 4.944 4.660 0.001 0.000 0.299 440 W C -1.911 174.806 176.519 0.331 0.000 0.872 440 W CA -1.726 55.786 57.345 0.279 0.000 1.961 440 W CB -0.380 29.270 29.460 0.317 0.000 2.140 440 W HN -0.048 nan 8.180 nan 0.000 0.433 441 P HA -0.212 nan 4.420 nan 0.000 0.216 441 P C 1.023 178.549 177.300 0.376 0.000 1.153 441 P CA 1.712 64.843 63.100 0.050 0.000 0.858 441 P CB 0.337 31.904 31.700 -0.222 0.000 0.789 442 N N 0.011 118.871 118.700 0.268 0.000 2.575 442 N HA -0.083 4.658 4.740 0.001 0.000 0.192 442 N C 1.533 177.137 175.510 0.156 0.000 1.200 442 N CA 0.586 53.747 53.050 0.185 0.000 0.897 442 N CB -0.509 38.071 38.487 0.154 0.000 0.990 442 N HN 0.450 nan 8.380 nan 0.000 0.449 443 K N -0.277 120.291 120.400 0.280 0.000 2.361 443 K HA 0.079 4.400 4.320 0.001 0.000 0.194 443 K C -0.443 176.085 176.600 -0.121 0.000 1.032 443 K CA 0.066 56.398 56.287 0.076 0.000 1.048 443 K CB 0.201 32.682 32.500 -0.032 0.000 0.842 443 K HN -0.154 nan 8.250 nan 0.000 0.526 444 F N 1.772 121.728 119.950 0.009 0.000 2.404 444 F HA 0.401 4.929 4.527 0.001 0.000 0.339 444 F C 0.588 176.202 175.800 -0.310 0.000 1.105 444 F CA -0.506 57.481 58.000 -0.021 0.000 1.087 444 F CB 0.983 40.015 39.000 0.054 0.000 1.143 444 F HN 0.003 nan 8.300 nan 0.000 0.491 445 H N 0.652 119.802 119.070 0.133 0.000 2.943 445 H HA 0.318 4.875 4.556 0.001 0.000 0.323 445 H C -1.260 174.056 175.328 -0.020 0.000 1.296 445 H CA -1.144 54.919 56.048 0.025 0.000 1.155 445 H CB 2.442 32.169 29.762 -0.059 0.000 1.882 445 H HN 0.501 nan 8.280 nan 0.000 0.553 446 N N 0.758 119.511 118.700 0.090 0.000 2.269 446 N HA 0.381 5.122 4.740 0.001 0.000 0.304 446 N C -1.716 173.722 175.510 -0.120 0.000 1.072 446 N CA -0.354 52.693 53.050 -0.007 0.000 0.802 446 N CB 2.379 40.863 38.487 -0.006 0.000 1.348 446 N HN 0.202 nan 8.380 nan 0.000 0.484 447 V N 2.000 121.810 119.914 -0.174 0.000 2.569 447 V HA 0.260 4.381 4.120 0.001 0.000 0.301 447 V C 0.047 176.099 176.094 -0.070 0.000 1.044 447 V CA -0.700 61.429 62.300 -0.285 0.000 0.874 447 V CB 1.589 32.925 31.823 -0.812 0.000 1.002 447 V HN 0.653 nan 8.190 nan 0.000 0.424 448 T N 4.531 119.076 114.554 -0.015 0.000 2.907 448 T HA 0.219 4.570 4.350 0.001 0.000 0.298 448 T C 0.552 175.368 174.700 0.193 0.000 1.017 448 T CA -0.130 62.023 62.100 0.090 0.000 1.118 448 T CB 0.338 69.244 68.868 0.064 0.000 0.948 448 T HN 0.648 nan 8.240 nan 0.000 0.531 449 N N 0.879 119.735 118.700 0.259 0.000 2.235 449 N HA 0.464 5.205 4.740 0.001 0.000 0.231 449 N C 0.453 176.177 175.510 0.357 0.000 1.330 449 N CA 0.176 53.435 53.050 0.349 0.000 0.898 449 N CB 0.315 38.942 38.487 0.235 0.000 1.151 449 N HN 0.869 nan 8.380 nan 0.000 0.472 450 G N -1.452 107.577 108.800 0.383 0.000 2.623 450 G HA2 0.564 4.525 3.960 0.001 0.000 0.290 450 G HA3 0.564 4.525 3.960 0.001 0.000 0.290 450 G C -1.500 173.571 174.900 0.284 0.000 1.437 450 G CA -0.629 44.682 45.100 0.352 0.000 0.798 450 G HN 0.546 nan 8.290 nan 0.000 0.488 451 I N -2.275 118.446 120.570 0.252 0.000 2.828 451 I HA 0.821 4.992 4.170 0.001 0.000 0.302 451 I C -0.097 176.211 176.117 0.318 0.000 1.101 451 I CA -1.070 60.380 61.300 0.250 0.000 1.031 451 I CB 2.182 40.243 38.000 0.102 0.000 1.231 451 I HN 0.502 nan 8.210 nan 0.000 0.427 452 T N 3.392 118.193 114.554 0.412 0.000 2.817 452 T HA 0.517 4.868 4.350 0.001 0.000 0.293 452 T C -1.903 172.937 174.700 0.233 0.000 0.964 452 T CA -1.617 60.636 62.100 0.255 0.000 1.085 452 T CB 0.964 69.924 68.868 0.153 0.000 0.921 452 T HN 0.608 nan 8.240 nan 0.000 0.502 453 P HA 0.127 nan 4.420 nan 0.000 0.233 453 P C 1.157 178.488 177.300 0.051 0.000 1.167 453 P CA 0.159 63.360 63.100 0.168 0.000 0.770 453 P CB 0.289 32.082 31.700 0.155 0.000 0.837 454 R N 0.062 120.514 120.500 -0.079 0.000 2.089 454 R HA -0.009 4.332 4.340 0.001 0.000 0.222 454 R C 2.456 178.674 176.300 -0.136 0.000 1.151 454 R CA 1.549 57.550 56.100 -0.165 0.000 0.908 454 R CB -1.245 28.954 30.300 -0.168 0.000 0.813 454 R HN -0.018 nan 8.270 nan 0.000 0.440 455 R N -0.726 119.630 120.500 -0.240 0.000 2.096 455 R HA -0.164 4.176 4.340 0.001 0.000 0.240 455 R C 1.604 177.650 176.300 -0.423 0.000 1.139 455 R CA 2.056 57.870 56.100 -0.476 0.000 0.952 455 R CB -0.315 29.447 30.300 -0.897 0.000 0.854 455 R HN 0.342 nan 8.270 nan 0.000 0.436 456 W N -0.898 120.415 121.300 0.022 0.000 3.256 456 W HA 0.236 4.897 4.660 0.001 0.000 0.269 456 W C 1.154 177.702 176.519 0.048 0.000 1.310 456 W CA -0.376 56.988 57.345 0.032 0.000 1.673 456 W CB 0.396 29.879 29.460 0.038 0.000 1.115 456 W HN 0.157 nan 8.180 nan 0.000 0.686 457 I N -2.085 118.618 120.570 0.222 0.000 3.888 457 I HA -0.047 4.124 4.170 0.001 0.000 0.268 457 I C 2.113 178.332 176.117 0.170 0.000 1.118 457 I CA -0.024 61.396 61.300 0.200 0.000 1.352 457 I CB -0.119 38.042 38.000 0.269 0.000 1.742 457 I HN -0.402 nan 8.210 nan 0.000 0.415 458 K N 1.160 121.681 120.400 0.202 0.000 2.057 458 K HA -0.212 4.109 4.320 0.001 0.000 0.207 458 K C 2.070 178.676 176.600 0.010 0.000 1.049 458 K CA 1.868 58.250 56.287 0.159 0.000 0.931 458 K CB 0.113 32.649 32.500 0.060 0.000 0.714 458 K HN 0.237 nan 8.250 nan 0.000 0.440 459 Q N 0.051 119.818 119.800 -0.056 0.000 2.033 459 Q HA -0.135 4.206 4.340 0.001 0.000 0.196 459 Q C 2.340 178.281 176.000 -0.099 0.000 0.970 459 Q CA 1.678 57.410 55.803 -0.119 0.000 0.828 459 Q CB 0.022 28.664 28.738 -0.160 0.000 0.895 459 Q HN 0.619 nan 8.270 nan 0.000 0.440 460 C N 0.015 119.272 119.300 -0.072 0.000 2.539 460 C HA 0.241 4.702 4.460 0.001 0.000 0.268 460 C C 0.989 175.973 174.990 -0.010 0.000 1.395 460 C CA -0.184 58.812 59.018 -0.037 0.000 1.757 460 C CB -0.654 27.093 27.740 0.012 0.000 1.851 460 C HN 0.359 nan 8.230 nan 0.000 0.545 461 N N 1.106 119.806 118.700 -0.001 0.000 2.733 461 N HA 0.299 5.039 4.740 0.001 0.000 0.271 461 N C -1.951 173.543 175.510 -0.026 0.000 1.720 461 N CA -1.645 51.394 53.050 -0.019 0.000 0.803 461 N CB 0.778 39.257 38.487 -0.014 0.000 1.208 461 N HN 0.229 nan 8.380 nan 0.000 0.498 462 P HA 0.004 nan 4.420 nan 0.000 0.223 462 P C 0.978 178.260 177.300 -0.031 0.000 1.151 462 P CA 0.601 63.683 63.100 -0.029 0.000 0.787 462 P CB 0.379 32.038 31.700 -0.068 0.000 0.788 463 A N -0.199 122.587 122.820 -0.057 0.000 1.968 463 A HA -0.089 4.232 4.320 0.001 0.000 0.217 463 A C 2.086 179.606 177.584 -0.107 0.000 1.169 463 A CA 0.943 52.935 52.037 -0.075 0.000 0.638 463 A CB -1.395 17.552 19.000 -0.088 0.000 0.812 463 A HN 0.158 nan 8.150 nan 0.000 0.446 464 L N -0.317 120.830 121.223 -0.126 0.000 2.109 464 L HA 0.071 4.411 4.340 0.001 0.000 0.207 464 L C 2.541 179.315 176.870 -0.161 0.000 1.086 464 L CA 2.024 56.757 54.840 -0.179 0.000 0.760 464 L CB -0.830 41.112 42.059 -0.194 0.000 0.910 464 L HN 0.298 nan 8.230 nan 0.000 0.437 465 A N -0.389 122.392 122.820 -0.066 0.000 1.898 465 A HA -0.029 4.292 4.320 0.001 0.000 0.216 465 A C 2.440 180.091 177.584 0.112 0.000 1.181 465 A CA 1.588 53.661 52.037 0.060 0.000 0.620 465 A CB -1.102 18.077 19.000 0.299 0.000 0.819 465 A HN 0.544 nan 8.150 nan 0.000 0.442 466 A N -0.470 122.383 122.820 0.055 0.000 1.933 466 A HA -0.013 4.308 4.320 0.001 0.000 0.218 466 A C 2.097 179.685 177.584 0.006 0.000 1.175 466 A CA 1.682 53.750 52.037 0.052 0.000 0.628 466 A CB -0.567 18.444 19.000 0.019 0.000 0.814 466 A HN 0.683 nan 8.150 nan 0.000 0.444 467 L N -0.028 121.159 121.223 -0.061 0.000 2.017 467 L HA -0.123 4.217 4.340 0.001 0.000 0.208 467 L C 2.236 179.049 176.870 -0.096 0.000 1.073 467 L CA 1.820 56.604 54.840 -0.094 0.000 0.745 467 L CB -0.657 41.303 42.059 -0.165 0.000 0.894 467 L HN 0.404 nan 8.230 nan 0.000 0.432 468 L N -0.657 120.455 121.223 -0.185 0.000 2.083 468 L HA -0.201 4.140 4.340 0.001 0.000 0.209 468 L C 2.241 179.053 176.870 -0.095 0.000 1.083 468 L CA 1.204 55.847 54.840 -0.328 0.000 0.752 468 L CB -0.961 40.532 42.059 -0.943 0.000 0.899 468 L HN 0.259 nan 8.230 nan 0.000 0.433 469 D N 0.237 120.721 120.400 0.140 0.000 2.149 469 D HA -0.207 4.434 4.640 0.001 0.000 0.198 469 D C 2.153 178.529 176.300 0.127 0.000 0.990 469 D CA 1.280 55.443 54.000 0.271 0.000 0.839 469 D CB 0.039 40.984 40.800 0.241 0.000 0.948 469 D HN 0.313 nan 8.370 nan 0.000 0.460 470 K N 0.250 120.684 120.400 0.056 0.000 2.137 470 K HA 0.018 4.339 4.320 0.001 0.000 0.202 470 K C 1.719 178.334 176.600 0.025 0.000 1.052 470 K CA 0.869 57.182 56.287 0.043 0.000 0.961 470 K CB 0.275 32.790 32.500 0.025 0.000 0.741 470 K HN -0.088 nan 8.250 nan 0.000 0.452 471 S N 0.535 116.201 115.700 -0.057 0.000 2.528 471 S HA 0.168 4.639 4.470 0.001 0.000 0.219 471 S C 0.401 174.985 174.600 -0.027 0.000 0.985 471 S CA 0.071 58.172 58.200 -0.166 0.000 0.914 471 S CB 0.043 62.860 63.200 -0.639 0.000 0.776 471 S HN 0.147 nan 8.310 nan 0.000 0.526 472 L N 1.678 122.917 121.223 0.027 0.000 2.346 472 L HA 0.395 4.736 4.340 0.001 0.000 0.276 472 L C 1.005 177.949 176.870 0.124 0.000 1.006 472 L CA -0.802 54.091 54.840 0.089 0.000 0.817 472 L CB 1.467 43.582 42.059 0.094 0.000 1.272 472 L HN -0.160 nan 8.230 nan 0.000 0.421 473 Q N 1.213 121.081 119.800 0.114 0.000 2.084 473 Q HA 0.004 4.345 4.340 0.001 0.000 0.202 473 Q C -0.010 176.052 176.000 0.103 0.000 0.978 473 Q CA 1.402 57.264 55.803 0.098 0.000 0.844 473 Q CB 0.045 28.831 28.738 0.080 0.000 0.898 473 Q HN 0.499 nan 8.270 nan 0.000 0.426 474 K N 1.157 121.629 120.400 0.119 0.000 2.208 474 K HA 0.208 4.529 4.320 0.001 0.000 0.247 474 K C -0.407 176.287 176.600 0.156 0.000 0.953 474 K CA -0.751 55.604 56.287 0.112 0.000 0.837 474 K CB 1.396 33.949 32.500 0.089 0.000 1.131 474 K HN -0.133 nan 8.250 nan 0.000 0.431 475 E N 2.538 122.790 120.200 0.087 0.000 2.652 475 E HA -0.158 4.193 4.350 0.001 0.000 0.255 475 E C 0.218 176.817 176.600 -0.003 0.000 0.952 475 E CA 0.514 56.909 56.400 -0.008 0.000 0.947 475 E CB 0.254 29.924 29.700 -0.050 0.000 0.912 475 E HN 0.605 nan 8.360 nan 0.000 0.489 476 W N 3.827 125.136 121.300 0.014 0.000 3.013 476 W HA 0.342 5.003 4.660 0.001 0.000 0.280 476 W C 1.059 177.549 176.519 -0.049 0.000 1.249 476 W CA 0.285 57.627 57.345 -0.005 0.000 1.577 476 W CB -0.794 28.668 29.460 0.003 0.000 1.057 476 W HN 0.600 nan 8.180 nan 0.000 0.613 477 A N 3.060 125.213 122.820 -1.111 0.000 1.978 477 A HA -0.275 4.046 4.320 0.001 0.000 0.220 477 A C 1.485 178.676 177.584 -0.655 0.000 1.170 477 A CA 2.097 53.431 52.037 -1.171 0.000 0.636 477 A CB -1.033 17.077 19.000 -1.483 0.000 0.810 477 A HN 0.421 nan 8.150 nan 0.000 0.448 478 N N -1.613 116.837 118.700 -0.416 0.000 2.351 478 N HA 0.187 4.928 4.740 0.001 0.000 0.254 478 N C -0.903 174.563 175.510 -0.072 0.000 1.241 478 N CA 0.118 53.047 53.050 -0.202 0.000 0.883 478 N CB 0.459 38.891 38.487 -0.093 0.000 1.202 478 N HN 0.147 nan 8.380 nan 0.000 0.512 479 D N 0.370 120.748 120.400 -0.037 0.000 2.978 479 D HA 0.096 4.737 4.640 0.001 0.000 0.268 479 D C 0.249 176.608 176.300 0.099 0.000 1.252 479 D CA -0.403 53.616 54.000 0.031 0.000 0.771 479 D CB 0.225 41.047 40.800 0.036 0.000 1.361 479 D HN 0.000 nan 8.370 nan 0.000 0.558 480 L N 1.019 122.305 121.223 0.105 0.000 2.275 480 L HA 0.010 4.351 4.340 0.001 0.000 0.215 480 L C 1.397 178.346 176.870 0.131 0.000 1.119 480 L CA 1.508 56.450 54.840 0.170 0.000 0.790 480 L CB 0.019 42.170 42.059 0.154 0.000 0.919 480 L HN 0.174 nan 8.230 nan 0.000 0.443 481 D N -0.833 119.616 120.400 0.083 0.000 2.309 481 D HA -0.164 4.477 4.640 0.001 0.000 0.212 481 D C 1.899 178.241 176.300 0.071 0.000 0.968 481 D CA 0.493 54.527 54.000 0.057 0.000 0.882 481 D CB 0.084 40.902 40.800 0.029 0.000 0.918 481 D HN 0.420 nan 8.370 nan 0.000 0.503 482 Q N 0.063 119.926 119.800 0.106 0.000 2.297 482 Q HA -0.101 4.240 4.340 0.001 0.000 0.208 482 Q C 2.058 178.116 176.000 0.096 0.000 0.981 482 Q CA 0.304 56.176 55.803 0.116 0.000 0.876 482 Q CB -0.191 28.656 28.738 0.181 0.000 0.921 482 Q HN 0.296 nan 8.270 nan 0.000 0.446 483 L N 0.225 121.503 121.223 0.091 0.000 2.191 483 L HA -0.145 4.196 4.340 0.001 0.000 0.212 483 L C 2.106 178.991 176.870 0.025 0.000 1.103 483 L CA 0.882 55.743 54.840 0.035 0.000 0.769 483 L CB -0.852 41.224 42.059 0.028 0.000 0.908 483 L HN 0.181 nan 8.230 nan 0.000 0.438 484 I N 0.035 120.624 120.570 0.033 0.000 2.423 484 I HA -0.289 3.882 4.170 0.001 0.000 0.254 484 I C 1.993 178.120 176.117 0.016 0.000 1.151 484 I CA 1.224 62.535 61.300 0.019 0.000 1.421 484 I CB -0.465 37.543 38.000 0.014 0.000 1.079 484 I HN 0.361 nan 8.210 nan 0.000 0.431 485 N N 0.297 119.016 118.700 0.032 0.000 2.585 485 N HA -0.096 4.645 4.740 0.001 0.000 0.188 485 N C 1.656 177.222 175.510 0.093 0.000 1.102 485 N CA 0.763 53.842 53.050 0.049 0.000 0.920 485 N CB -0.158 38.372 38.487 0.071 0.000 0.963 485 N HN 0.449 nan 8.380 nan 0.000 0.447 486 L N 0.758 122.013 121.223 0.054 0.000 2.478 486 L HA -0.005 4.336 4.340 0.001 0.000 0.223 486 L C 1.850 178.735 176.870 0.024 0.000 1.140 486 L CA 0.449 55.323 54.840 0.056 0.000 0.842 486 L CB -0.157 41.879 42.059 -0.039 0.000 0.953 486 L HN 0.133 nan 8.230 nan 0.000 0.452 487 E N 1.120 121.311 120.200 -0.014 0.000 2.097 487 E HA -0.272 4.079 4.350 0.001 0.000 0.196 487 E C 1.882 178.416 176.600 -0.110 0.000 1.000 487 E CA 1.752 58.116 56.400 -0.059 0.000 0.804 487 E CB -0.018 29.649 29.700 -0.055 0.000 0.740 487 E HN 0.548 nan 8.360 nan 0.000 0.454 488 K N 0.167 120.469 120.400 -0.164 0.000 2.362 488 K HA -0.085 4.236 4.320 0.001 0.000 0.200 488 K C 1.462 177.818 176.600 -0.407 0.000 1.046 488 K CA 1.093 57.207 56.287 -0.288 0.000 0.952 488 K CB -0.336 31.947 32.500 -0.361 0.000 0.753 488 K HN 0.051 nan 8.250 nan 0.000 0.466 489 F N 1.341 121.038 119.950 -0.421 0.000 2.558 489 F HA 0.142 4.670 4.527 0.001 0.000 0.298 489 F C 2.300 177.853 175.800 -0.411 0.000 1.119 489 F CA 0.514 58.121 58.000 -0.654 0.000 1.451 489 F CB -0.220 37.755 39.000 -1.707 0.000 1.091 489 F HN 0.103 nan 8.300 nan 0.000 0.563 490 A N -0.626 122.121 122.820 -0.123 0.000 2.178 490 A HA -0.148 4.172 4.320 0.001 0.000 0.218 490 A C 1.662 179.232 177.584 -0.024 0.000 1.157 490 A CA 1.646 53.662 52.037 -0.035 0.000 0.689 490 A CB -0.478 18.477 19.000 -0.075 0.000 0.787 490 A HN 0.214 nan 8.150 nan 0.000 0.465 491 D N -0.482 119.878 120.400 -0.067 0.000 2.360 491 D HA 0.025 4.666 4.640 0.001 0.000 0.210 491 D C -0.303 175.981 176.300 -0.028 0.000 1.047 491 D CA 0.190 54.157 54.000 -0.057 0.000 0.854 491 D CB 0.156 40.899 40.800 -0.095 0.000 0.936 491 D HN 0.408 nan 8.370 nan 0.000 0.514 492 D N 0.332 120.736 120.400 0.006 0.000 2.359 492 D HA 0.270 4.910 4.640 0.001 0.000 0.230 492 D C 1.116 177.507 176.300 0.152 0.000 1.118 492 D CA -0.459 53.585 54.000 0.073 0.000 0.844 492 D CB 1.426 42.298 40.800 0.120 0.000 1.059 492 D HN -0.098 nan 8.370 nan 0.000 0.493 493 A N 5.253 128.130 122.820 0.095 0.000 1.978 493 A HA -0.207 4.114 4.320 0.001 0.000 0.220 493 A C 1.961 179.609 177.584 0.107 0.000 1.170 493 A CA 1.505 53.594 52.037 0.088 0.000 0.636 493 A CB -0.433 18.597 19.000 0.050 0.000 0.810 493 A HN 0.643 nan 8.150 nan 0.000 0.448 494 K N -1.624 118.853 120.400 0.128 0.000 2.167 494 K HA -0.083 4.238 4.320 0.001 0.000 0.203 494 K C 1.822 178.505 176.600 0.139 0.000 1.052 494 K CA 1.258 57.612 56.287 0.112 0.000 0.956 494 K CB -0.306 32.261 32.500 0.111 0.000 0.735 494 K HN 0.403 nan 8.250 nan 0.000 0.451 495 F N 2.296 122.298 119.950 0.087 0.000 2.163 495 F HA -0.026 4.502 4.527 0.001 0.000 0.297 495 F C 2.189 178.036 175.800 0.079 0.000 1.094 495 F CA 1.161 59.219 58.000 0.096 0.000 1.290 495 F CB 0.005 39.122 39.000 0.196 0.000 1.017 495 F HN -0.089 nan 8.300 nan 0.000 0.483 496 R N 0.014 120.650 120.500 0.227 0.000 2.127 496 R HA -0.212 4.129 4.340 0.001 0.000 0.238 496 R C 2.317 178.637 176.300 0.034 0.000 1.134 496 R CA 1.634 57.798 56.100 0.108 0.000 0.975 496 R CB -0.630 29.736 30.300 0.110 0.000 0.865 496 R HN 0.499 nan 8.270 nan 0.000 0.447 497 Q N 0.910 120.722 119.800 0.021 0.000 2.083 497 Q HA -0.167 4.174 4.340 0.001 0.000 0.198 497 Q C 1.869 177.844 176.000 -0.042 0.000 0.969 497 Q CA 1.300 57.103 55.803 0.000 0.000 0.838 497 Q CB 0.190 28.932 28.738 0.007 0.000 0.900 497 Q HN 0.434 nan 8.270 nan 0.000 0.436 498 Q N -0.874 118.868 119.800 -0.097 0.000 2.224 498 Q HA -0.190 4.151 4.340 0.001 0.000 0.203 498 Q C 1.673 177.565 176.000 -0.179 0.000 0.970 498 Q CA 1.311 57.026 55.803 -0.146 0.000 0.865 498 Q CB -0.116 28.504 28.738 -0.196 0.000 0.922 498 Q HN 0.434 nan 8.270 nan 0.000 0.445 499 Y N 1.270 121.346 120.300 -0.372 0.000 2.184 499 Y HA -0.147 4.404 4.550 0.001 0.000 0.290 499 Y C 2.443 178.245 175.900 -0.163 0.000 1.129 499 Y CA 1.495 59.394 58.100 -0.335 0.000 1.144 499 Y CB 0.002 38.212 38.460 -0.416 0.000 0.995 499 Y HN -0.122 nan 8.280 nan 0.000 0.513 500 R N 0.456 121.018 120.500 0.103 0.000 2.081 500 R HA -0.197 4.144 4.340 0.001 0.000 0.235 500 R C 2.081 178.354 176.300 -0.045 0.000 1.131 500 R CA 2.004 58.143 56.100 0.064 0.000 0.960 500 R CB -0.312 30.027 30.300 0.064 0.000 0.856 500 R HN 0.455 nan 8.270 nan 0.000 0.436 501 E N 0.280 120.442 120.200 -0.063 0.000 2.085 501 E HA -0.190 4.161 4.350 0.001 0.000 0.194 501 E C 1.988 178.522 176.600 -0.111 0.000 0.994 501 E CA 1.652 58.004 56.400 -0.080 0.000 0.801 501 E CB -0.076 29.581 29.700 -0.071 0.000 0.743 501 E HN 0.386 nan 8.360 nan 0.000 0.453 502 I N 0.718 121.193 120.570 -0.157 0.000 2.226 502 I HA -0.287 3.884 4.170 0.001 0.000 0.245 502 I C 2.353 178.357 176.117 -0.188 0.000 1.100 502 I CA 1.010 62.198 61.300 -0.187 0.000 1.374 502 I CB -0.104 37.740 38.000 -0.259 0.000 1.057 502 I HN 0.002 nan 8.210 nan 0.000 0.413 503 K N 0.624 120.893 120.400 -0.218 0.000 2.097 503 K HA -0.188 4.132 4.320 0.001 0.000 0.206 503 K C 2.112 178.627 176.600 -0.141 0.000 1.049 503 K CA 1.548 57.732 56.287 -0.172 0.000 0.933 503 K CB -0.177 32.248 32.500 -0.125 0.000 0.717 503 K HN 0.211 nan 8.250 nan 0.000 0.442 504 Q N -0.351 119.372 119.800 -0.128 0.000 2.119 504 Q HA 0.009 4.350 4.340 0.001 0.000 0.201 504 Q C 2.094 178.026 176.000 -0.113 0.000 0.972 504 Q CA 1.473 57.196 55.803 -0.133 0.000 0.847 504 Q CB -0.309 28.367 28.738 -0.104 0.000 0.903 504 Q HN 0.427 nan 8.270 nan 0.000 0.433 505 A N 1.565 124.330 122.820 -0.091 0.000 1.972 505 A HA -0.193 4.128 4.320 0.001 0.000 0.219 505 A C 1.826 179.377 177.584 -0.055 0.000 1.169 505 A CA 1.406 53.404 52.037 -0.064 0.000 0.635 505 A CB -0.385 18.579 19.000 -0.060 0.000 0.810 505 A HN 0.292 nan 8.150 nan 0.000 0.446 506 N N 0.112 118.769 118.700 -0.072 0.000 2.120 506 N HA -0.117 4.624 4.740 0.001 0.000 0.188 506 N C 1.599 177.096 175.510 -0.021 0.000 1.024 506 N CA 1.515 54.537 53.050 -0.047 0.000 0.852 506 N CB -0.308 38.142 38.487 -0.062 0.000 1.003 506 N HN 0.570 nan 8.380 nan 0.000 0.424 507 K N 0.334 120.676 120.400 -0.097 0.000 2.097 507 K HA 0.009 4.330 4.320 0.001 0.000 0.205 507 K C 1.980 178.595 176.600 0.025 0.000 1.050 507 K CA 0.515 56.714 56.287 -0.146 0.000 0.938 507 K CB -0.057 32.101 32.500 -0.570 0.000 0.718 507 K HN -0.063 nan 8.250 nan 0.000 0.442 508 V N 1.580 121.488 119.914 -0.010 0.000 2.255 508 V HA -0.279 3.842 4.120 0.001 0.000 0.247 508 V C 2.205 178.350 176.094 0.084 0.000 1.051 508 V CA 1.736 64.060 62.300 0.041 0.000 1.018 508 V CB -0.443 31.385 31.823 0.009 0.000 0.641 508 V HN 0.298 nan 8.190 nan 0.000 0.445 509 R N -0.624 119.915 120.500 0.065 0.000 2.127 509 R HA -0.182 4.158 4.340 0.001 0.000 0.238 509 R C 2.188 178.574 176.300 0.143 0.000 1.134 509 R CA 1.585 57.734 56.100 0.082 0.000 0.975 509 R CB -0.517 29.809 30.300 0.042 0.000 0.865 509 R HN 0.414 nan 8.270 nan 0.000 0.447 510 L N 0.510 121.840 121.223 0.177 0.000 2.109 510 L HA 0.031 4.372 4.340 0.001 0.000 0.207 510 L C 2.225 179.266 176.870 0.284 0.000 1.086 510 L CA 1.631 56.624 54.840 0.256 0.000 0.760 510 L CB -0.529 41.716 42.059 0.309 0.000 0.910 510 L HN 0.065 nan 8.230 nan 0.000 0.437 511 A N -0.237 122.737 122.820 0.256 0.000 1.908 511 A HA -0.258 4.063 4.320 0.001 0.000 0.218 511 A C 2.115 179.791 177.584 0.152 0.000 1.181 511 A CA 2.014 54.168 52.037 0.195 0.000 0.627 511 A CB -0.697 18.416 19.000 0.189 0.000 0.818 511 A HN 0.636 nan 8.150 nan 0.000 0.445 512 E N -1.494 118.800 120.200 0.156 0.000 2.110 512 E HA -0.168 4.183 4.350 0.001 0.000 0.193 512 E C 1.729 178.430 176.600 0.168 0.000 0.988 512 E CA 1.304 57.785 56.400 0.134 0.000 0.804 512 E CB -0.284 29.491 29.700 0.126 0.000 0.745 512 E HN 0.723 nan 8.360 nan 0.000 0.458 513 F N 1.117 121.104 119.950 0.060 0.000 2.128 513 F HA -0.152 4.376 4.527 0.001 0.000 0.295 513 F C 2.062 177.897 175.800 0.058 0.000 1.100 513 F CA 0.916 58.952 58.000 0.059 0.000 1.260 513 F CB -0.269 38.773 39.000 0.069 0.000 1.009 513 F HN -0.216 nan 8.300 nan 0.000 0.476 514 V N 0.946 120.887 119.914 0.045 0.000 2.407 514 V HA -0.322 3.799 4.120 0.001 0.000 0.248 514 V C 2.438 178.486 176.094 -0.077 0.000 1.055 514 V CA 2.300 64.564 62.300 -0.061 0.000 1.049 514 V CB -0.803 31.038 31.823 0.030 0.000 0.662 514 V HN 0.351 nan 8.190 nan 0.000 0.455 515 K N 0.816 121.205 120.400 -0.018 0.000 2.057 515 K HA -0.159 4.162 4.320 0.001 0.000 0.207 515 K C 2.001 178.576 176.600 -0.042 0.000 1.049 515 K CA 2.025 58.304 56.287 -0.013 0.000 0.931 515 K CB -0.378 32.134 32.500 0.021 0.000 0.714 515 K HN 0.429 nan 8.250 nan 0.000 0.440 516 V N -1.025 118.852 119.914 -0.062 0.000 2.719 516 V HA 0.010 4.131 4.120 0.001 0.000 0.252 516 V C 1.804 177.822 176.094 -0.126 0.000 1.065 516 V CA 1.057 63.316 62.300 -0.069 0.000 1.086 516 V CB -0.417 31.386 31.823 -0.033 0.000 0.700 516 V HN 0.240 nan 8.190 nan 0.000 0.467 517 R N 1.106 121.465 120.500 -0.235 0.000 2.210 517 R HA 0.120 4.461 4.340 0.001 0.000 0.203 517 R C 2.030 178.260 176.300 -0.116 0.000 1.010 517 R CA 1.408 57.366 56.100 -0.237 0.000 1.008 517 R CB -0.066 29.960 30.300 -0.458 0.000 0.923 517 R HN 0.798 nan 8.270 nan 0.000 0.469 518 T N -5.451 109.056 114.554 -0.079 0.000 3.009 518 T HA 0.231 4.582 4.350 0.001 0.000 0.267 518 T C 1.326 176.023 174.700 -0.005 0.000 0.942 518 T CA 0.610 62.700 62.100 -0.017 0.000 0.883 518 T CB 1.096 69.971 68.868 0.011 0.000 1.192 518 T HN 0.259 nan 8.240 nan 0.000 0.524 519 G N 2.003 110.794 108.800 -0.015 0.000 2.225 519 G HA2 -0.217 3.744 3.960 0.001 0.000 0.254 519 G HA3 -0.217 3.744 3.960 0.001 0.000 0.254 519 G C 0.061 174.961 174.900 0.001 0.000 0.988 519 G CA 0.145 45.243 45.100 -0.003 0.000 0.625 519 G HN 0.699 nan 8.290 nan 0.000 0.527 520 I N 1.250 121.820 120.570 -0.001 0.000 2.529 520 I HA 0.337 4.508 4.170 0.001 0.000 0.284 520 I C 0.600 176.718 176.117 0.001 0.000 1.082 520 I CA -0.236 61.064 61.300 -0.000 0.000 1.406 520 I CB 1.181 39.179 38.000 -0.002 0.000 1.405 520 I HN 0.110 nan 8.210 nan 0.000 0.548 521 E N 6.511 126.715 120.200 0.005 0.000 2.130 521 E HA 0.393 4.744 4.350 0.001 0.000 0.284 521 E C -0.704 175.903 176.600 0.012 0.000 1.018 521 E CA -0.475 55.934 56.400 0.015 0.000 0.817 521 E CB 0.890 30.601 29.700 0.017 0.000 1.078 521 E HN 0.428 nan 8.360 nan 0.000 0.396 522 I N 0.782 121.365 120.570 0.022 0.000 2.607 522 I HA 0.487 4.657 4.170 0.001 0.000 0.305 522 I C -0.126 176.043 176.117 0.086 0.000 0.995 522 I CA -1.225 60.083 61.300 0.014 0.000 1.148 522 I CB 1.537 39.487 38.000 -0.083 0.000 1.323 522 I HN 0.242 nan 8.210 nan 0.000 0.461 523 N N 5.638 124.392 118.700 0.090 0.000 2.415 523 N HA 0.322 5.063 4.740 0.001 0.000 0.246 523 N C -1.903 173.738 175.510 0.218 0.000 1.078 523 N CA -2.502 50.617 53.050 0.115 0.000 0.942 523 N CB 0.843 39.368 38.487 0.063 0.000 1.140 523 N HN 0.399 nan 8.380 nan 0.000 0.501 524 P HA -0.022 nan 4.420 nan 0.000 0.242 524 P C 0.274 177.546 177.300 -0.046 0.000 1.197 524 P CA 0.835 63.980 63.100 0.075 0.000 0.765 524 P CB 0.395 32.108 31.700 0.022 0.000 0.936 525 Q N -1.115 118.690 119.800 0.008 0.000 2.356 525 Q HA 0.246 4.587 4.340 0.001 0.000 0.205 525 Q C 0.972 176.961 176.000 -0.019 0.000 0.901 525 Q CA -0.050 55.742 55.803 -0.018 0.000 0.938 525 Q CB 0.299 29.035 28.738 -0.003 0.000 1.081 525 Q HN 0.161 nan 8.270 nan 0.000 0.517 526 A N 1.168 123.996 122.820 0.013 0.000 2.313 526 A HA 0.351 4.672 4.320 0.001 0.000 0.261 526 A C 0.164 177.675 177.584 -0.122 0.000 1.090 526 A CA -0.466 51.547 52.037 -0.039 0.000 0.807 526 A CB 0.207 19.221 19.000 0.022 0.000 1.055 526 A HN 0.262 nan 8.150 nan 0.000 0.492 527 I N 1.283 121.637 120.570 -0.360 0.000 2.517 527 I HA 0.026 4.197 4.170 0.001 0.000 0.285 527 I C -0.767 175.294 176.117 -0.094 0.000 1.106 527 I CA 0.250 61.240 61.300 -0.517 0.000 1.402 527 I CB 0.056 37.594 38.000 -0.770 0.000 1.399 527 I HN 0.358 nan 8.210 nan 0.000 0.535 528 F N 5.322 125.090 119.950 -0.303 0.000 2.375 528 F HA 0.176 4.704 4.527 0.001 0.000 0.362 528 F C 0.647 176.292 175.800 -0.258 0.000 1.129 528 F CA -0.924 56.934 58.000 -0.237 0.000 1.154 528 F CB 0.094 39.022 39.000 -0.120 0.000 1.205 528 F HN 0.360 nan 8.300 nan 0.000 0.513 529 D N 5.732 125.968 120.400 -0.272 0.000 2.467 529 D HA 0.270 4.911 4.640 0.001 0.000 0.220 529 D C -0.337 175.803 176.300 -0.268 0.000 1.103 529 D CA -0.099 53.693 54.000 -0.345 0.000 0.886 529 D CB 0.455 40.775 40.800 -0.799 0.000 1.025 529 D HN 0.335 nan 8.370 nan 0.000 0.514 530 I N 2.938 123.410 120.570 -0.163 0.000 2.321 530 I HA 0.214 4.385 4.170 0.001 0.000 0.291 530 I C 0.273 176.266 176.117 -0.207 0.000 0.998 530 I CA -0.619 60.569 61.300 -0.186 0.000 1.227 530 I CB 1.630 39.574 38.000 -0.093 0.000 1.368 530 I HN 0.146 nan 8.210 nan 0.000 0.466 531 Q N 8.429 128.020 119.800 -0.349 0.000 2.413 531 Q HA 0.555 4.896 4.340 0.001 0.000 0.258 531 Q C -1.232 174.606 176.000 -0.269 0.000 1.037 531 Q CA -0.558 55.075 55.803 -0.282 0.000 0.764 531 Q CB 1.228 29.763 28.738 -0.338 0.000 1.217 531 Q HN 0.740 nan 8.270 nan 0.000 0.490 532 I N 2.101 122.534 120.570 -0.229 0.000 2.439 532 I HA 0.668 4.839 4.170 0.001 0.000 0.285 532 I C -1.111 174.874 176.117 -0.219 0.000 1.021 532 I CA -0.707 60.368 61.300 -0.376 0.000 1.091 532 I CB 1.162 38.919 38.000 -0.406 0.000 1.242 532 I HN 0.514 nan 8.210 nan 0.000 0.439 533 K N 3.692 123.976 120.400 -0.193 0.000 2.999 533 K HA 0.426 4.747 4.320 0.001 0.000 0.295 533 K C -1.345 175.269 176.600 0.023 0.000 1.082 533 K CA -1.223 55.060 56.287 -0.007 0.000 0.816 533 K CB 0.968 33.444 32.500 -0.040 0.000 1.492 533 K HN 0.556 nan 8.250 nan 0.000 0.362 534 R N 0.524 121.065 120.500 0.069 0.000 2.698 534 R HA 0.089 4.430 4.340 0.001 0.000 0.266 534 R C 0.046 176.362 176.300 0.027 0.000 1.026 534 R CA -0.727 55.423 56.100 0.083 0.000 1.102 534 R CB 0.124 30.486 30.300 0.104 0.000 0.978 534 R HN 0.331 nan 8.270 nan 0.000 0.436 535 L N 4.658 125.909 121.223 0.047 0.000 2.456 535 L HA 0.077 4.418 4.340 0.001 0.000 0.277 535 L C -0.477 176.342 176.870 -0.085 0.000 1.124 535 L CA 0.937 55.754 54.840 -0.039 0.000 0.880 535 L CB -0.484 41.550 42.059 -0.041 0.000 1.192 535 L HN 0.607 nan 8.230 nan 0.000 0.463 536 H N 3.565 122.488 119.070 -0.245 0.000 3.029 536 H HA 0.134 4.691 4.556 0.001 0.000 0.358 536 H C 0.541 175.667 175.328 -0.336 0.000 1.129 536 H CA -0.379 55.533 56.048 -0.227 0.000 1.230 536 H CB 1.435 31.052 29.762 -0.242 0.000 1.827 536 H HN 0.679 nan 8.280 nan 0.000 0.530 537 E N 2.447 122.633 120.200 -0.022 0.000 2.136 537 E HA -0.287 4.063 4.350 0.001 0.000 0.202 537 E C 1.166 177.577 176.600 -0.315 0.000 1.019 537 E CA 2.284 58.592 56.400 -0.153 0.000 0.819 537 E CB -0.035 29.593 29.700 -0.119 0.000 0.739 537 E HN 0.628 nan 8.360 nan 0.000 0.458 538 Y N -0.182 119.866 120.300 -0.421 0.000 2.509 538 Y HA 0.031 4.582 4.550 0.001 0.000 0.293 538 Y C 1.547 177.337 175.900 -0.183 0.000 1.133 538 Y CA 0.651 58.402 58.100 -0.583 0.000 1.283 538 Y CB -0.108 38.084 38.460 -0.447 0.000 1.001 538 Y HN -0.176 nan 8.280 nan 0.000 0.555 539 K N 0.761 120.833 120.400 -0.546 0.000 2.365 539 K HA 0.077 4.398 4.320 0.001 0.000 0.197 539 K C 0.207 176.746 176.600 -0.102 0.000 1.042 539 K CA 0.504 56.575 56.287 -0.359 0.000 0.987 539 K CB -0.014 32.233 32.500 -0.421 0.000 0.779 539 K HN 0.244 nan 8.250 nan 0.000 0.484 540 R N 0.461 120.951 120.500 -0.016 0.000 3.422 540 R HA -0.228 4.112 4.340 0.001 0.000 0.267 540 R C 0.348 176.750 176.300 0.170 0.000 1.074 540 R CA 0.199 56.395 56.100 0.160 0.000 0.718 540 R CB -1.939 28.394 30.300 0.056 0.000 1.157 540 R HN 0.279 nan 8.270 nan 0.000 0.440 541 Q N 0.083 119.962 119.800 0.132 0.000 2.248 541 Q HA -0.195 4.146 4.340 0.001 0.000 0.208 541 Q C 2.041 178.145 176.000 0.174 0.000 0.984 541 Q CA 2.095 57.989 55.803 0.151 0.000 0.875 541 Q CB -0.226 28.518 28.738 0.010 0.000 0.910 541 Q HN 0.720 nan 8.270 nan 0.000 0.433 542 H N -1.162 117.883 119.070 -0.042 0.000 2.529 542 H HA 0.003 4.560 4.556 0.001 0.000 0.277 542 H C 1.761 177.109 175.328 0.032 0.000 0.999 542 H CA 0.808 56.831 56.048 -0.043 0.000 1.256 542 H CB -0.500 29.231 29.762 -0.052 0.000 1.402 542 H HN 0.298 nan 8.280 nan 0.000 0.566 543 L N 1.175 122.380 121.223 -0.029 0.000 2.095 543 L HA 0.017 4.358 4.340 0.001 0.000 0.204 543 L C 2.150 179.133 176.870 0.189 0.000 1.080 543 L CA 1.734 56.581 54.840 0.010 0.000 0.759 543 L CB -0.923 41.081 42.059 -0.091 0.000 0.914 543 L HN 0.338 nan 8.230 nan 0.000 0.439 544 N N -0.699 118.109 118.700 0.180 0.000 2.094 544 N HA -0.279 4.462 4.740 0.001 0.000 0.191 544 N C 1.993 177.625 175.510 0.203 0.000 1.023 544 N CA 1.520 54.763 53.050 0.322 0.000 0.857 544 N CB -0.198 38.466 38.487 0.294 0.000 1.013 544 N HN 0.388 nan 8.380 nan 0.000 0.426 545 L N 1.138 122.431 121.223 0.116 0.000 2.083 545 L HA -0.065 4.276 4.340 0.001 0.000 0.209 545 L C 1.936 178.795 176.870 -0.018 0.000 1.083 545 L CA 1.295 56.113 54.840 -0.037 0.000 0.752 545 L CB -0.382 41.599 42.059 -0.130 0.000 0.899 545 L HN 0.293 nan 8.230 nan 0.000 0.433 546 L N -1.276 120.015 121.223 0.113 0.000 2.056 546 L HA -0.235 4.106 4.340 0.001 0.000 0.207 546 L C 2.663 179.729 176.870 0.327 0.000 1.078 546 L CA 1.531 56.500 54.840 0.215 0.000 0.749 546 L CB -0.980 41.267 42.059 0.314 0.000 0.901 546 L HN 0.492 nan 8.230 nan 0.000 0.433 547 H N 0.651 119.846 119.070 0.210 0.000 2.421 547 H HA -0.135 4.422 4.556 0.001 0.000 0.298 547 H C 2.280 177.532 175.328 -0.128 0.000 1.087 547 H CA 1.492 57.533 56.048 -0.012 0.000 1.330 547 H CB 0.236 29.878 29.762 -0.199 0.000 1.388 547 H HN 0.311 nan 8.280 nan 0.000 0.526 548 I N 0.653 120.957 120.570 -0.443 0.000 2.226 548 I HA -0.287 3.884 4.170 0.001 0.000 0.245 548 I C 2.572 178.507 176.117 -0.304 0.000 1.100 548 I CA 0.700 61.628 61.300 -0.620 0.000 1.374 548 I CB -0.162 37.444 38.000 -0.656 0.000 1.057 548 I HN 0.232 nan 8.210 nan 0.000 0.413 549 L N 0.403 121.538 121.223 -0.146 0.000 2.046 549 L HA -0.206 4.134 4.340 0.001 0.000 0.208 549 L C 2.817 179.716 176.870 0.049 0.000 1.077 549 L CA 1.361 56.210 54.840 0.015 0.000 0.747 549 L CB -0.635 41.439 42.059 0.025 0.000 0.896 549 L HN 0.243 nan 8.230 nan 0.000 0.432 550 A N -0.321 122.508 122.820 0.014 0.000 1.898 550 A HA -0.169 4.152 4.320 0.001 0.000 0.216 550 A C 2.276 179.841 177.584 -0.032 0.000 1.181 550 A CA 1.259 53.319 52.037 0.038 0.000 0.620 550 A CB -0.633 18.440 19.000 0.122 0.000 0.819 550 A HN 0.348 nan 8.150 nan 0.000 0.442 551 L N -1.701 119.435 121.223 -0.144 0.000 2.046 551 L HA -0.185 4.156 4.340 0.001 0.000 0.208 551 L C 2.601 179.492 176.870 0.034 0.000 1.077 551 L CA 1.730 56.512 54.840 -0.097 0.000 0.747 551 L CB -0.441 41.511 42.059 -0.178 0.000 0.896 551 L HN 0.625 nan 8.230 nan 0.000 0.432 552 Y N 1.090 121.326 120.300 -0.106 0.000 2.181 552 Y HA -0.302 4.249 4.550 0.001 0.000 0.288 552 Y C 2.618 178.505 175.900 -0.023 0.000 1.146 552 Y CA 1.819 59.886 58.100 -0.055 0.000 1.164 552 Y CB -0.388 38.042 38.460 -0.049 0.000 0.982 552 Y HN 0.085 nan 8.280 nan 0.000 0.515 553 K N 0.476 120.813 120.400 -0.104 0.000 2.025 553 K HA -0.249 4.072 4.320 0.001 0.000 0.207 553 K C 2.197 178.733 176.600 -0.108 0.000 1.049 553 K CA 1.708 57.880 56.287 -0.192 0.000 0.933 553 K CB -0.398 32.047 32.500 -0.091 0.000 0.714 553 K HN 0.466 nan 8.250 nan 0.000 0.438 554 E N 0.979 121.153 120.200 -0.044 0.000 2.086 554 E HA -0.226 4.125 4.350 0.001 0.000 0.200 554 E C 2.026 178.612 176.600 -0.023 0.000 1.012 554 E CA 2.107 58.493 56.400 -0.023 0.000 0.812 554 E CB -0.246 29.449 29.700 -0.008 0.000 0.743 554 E HN 0.602 nan 8.360 nan 0.000 0.453 555 I N -2.366 118.199 120.570 -0.008 0.000 2.761 555 I HA -0.072 4.099 4.170 0.001 0.000 0.261 555 I C 2.199 178.306 176.117 -0.017 0.000 1.198 555 I CA 0.756 62.061 61.300 0.009 0.000 1.482 555 I CB -0.389 37.643 38.000 0.053 0.000 1.100 555 I HN 0.003 nan 8.210 nan 0.000 0.445 556 R N 1.589 122.036 120.500 -0.087 0.000 2.075 556 R HA -0.047 4.294 4.340 0.001 0.000 0.232 556 R C 1.127 177.376 176.300 -0.085 0.000 1.126 556 R CA 1.465 57.487 56.100 -0.129 0.000 0.963 556 R CB -0.081 30.039 30.300 -0.300 0.000 0.858 556 R HN 0.518 nan 8.270 nan 0.000 0.435 557 E N 0.281 120.433 120.200 -0.080 0.000 2.370 557 E HA 0.053 4.404 4.350 0.001 0.000 0.194 557 E C -0.719 175.862 176.600 -0.032 0.000 1.057 557 E CA -0.160 56.207 56.400 -0.055 0.000 1.011 557 E CB 0.241 29.907 29.700 -0.056 0.000 1.132 557 E HN 0.068 nan 8.360 nan 0.000 0.450 558 N N 0.200 118.885 118.700 -0.025 0.000 4.036 558 N HA 0.005 4.746 4.740 0.001 0.000 0.178 558 N C -2.498 173.007 175.510 -0.008 0.000 1.378 558 N CA -0.918 52.124 53.050 -0.014 0.000 0.851 558 N CB 0.863 39.343 38.487 -0.011 0.000 1.714 558 N HN -0.181 nan 8.380 nan 0.000 0.771 559 P HA -0.059 nan 4.420 nan 0.000 0.228 559 P C 0.310 177.611 177.300 0.000 0.000 1.151 559 P CA 0.944 64.043 63.100 -0.001 0.000 0.770 559 P CB 0.542 32.242 31.700 -0.001 0.000 0.786 560 Q N -0.389 119.410 119.800 -0.001 0.000 2.222 560 Q HA 0.339 4.680 4.340 0.001 0.000 0.206 560 Q C 0.518 176.518 176.000 -0.000 0.000 0.877 560 Q CA -0.280 55.523 55.803 -0.000 0.000 0.958 560 Q CB -0.193 28.545 28.738 -0.001 0.000 1.075 560 Q HN 0.164 nan 8.270 nan 0.000 0.483 561 A N 0.262 123.081 122.820 -0.000 0.000 2.407 561 A HA 0.140 4.461 4.320 0.001 0.000 0.248 561 A C 0.010 177.594 177.584 -0.000 0.000 1.082 561 A CA -0.321 51.716 52.037 -0.000 0.000 0.785 561 A CB 0.365 19.364 19.000 -0.001 0.000 1.020 561 A HN 0.092 nan 8.150 nan 0.000 0.489 562 D N 1.302 121.702 120.400 -0.001 0.000 2.994 562 D HA 0.162 4.803 4.640 0.001 0.000 0.240 562 D C -0.300 175.996 176.300 -0.006 0.000 1.195 562 D CA 0.201 54.200 54.000 -0.001 0.000 0.957 562 D CB -0.138 40.663 40.800 0.002 0.000 1.105 562 D HN 0.219 nan 8.370 nan 0.000 0.477 563 R N 0.423 120.917 120.500 -0.010 0.000 2.338 563 R HA 0.267 4.608 4.340 0.001 0.000 0.317 563 R C -0.132 176.146 176.300 -0.036 0.000 0.968 563 R CA -0.952 55.135 56.100 -0.022 0.000 0.849 563 R CB 1.436 31.727 30.300 -0.016 0.000 1.128 563 R HN 0.022 nan 8.270 nan 0.000 0.448 564 V N 3.424 123.301 119.914 -0.061 0.000 2.740 564 V HA 0.269 4.390 4.120 0.001 0.000 0.303 564 V C -2.052 173.970 176.094 -0.120 0.000 1.054 564 V CA -1.451 60.795 62.300 -0.091 0.000 1.106 564 V CB 0.603 32.359 31.823 -0.112 0.000 0.957 564 V HN 0.575 nan 8.190 nan 0.000 0.486 565 P HA 0.277 nan 4.420 nan 0.000 0.268 565 P C -0.890 176.313 177.300 -0.163 0.000 1.205 565 P CA 0.241 63.286 63.100 -0.092 0.000 0.771 565 P CB 0.294 31.959 31.700 -0.058 0.000 0.858 566 R N 1.437 121.848 120.500 -0.147 0.000 2.750 566 R HA 0.624 4.964 4.340 0.001 0.000 0.281 566 R C -1.314 174.850 176.300 -0.228 0.000 0.972 566 R CA -1.098 54.832 56.100 -0.282 0.000 0.912 566 R CB 1.983 32.007 30.300 -0.459 0.000 1.187 566 R HN 0.177 nan 8.270 nan 0.000 0.464 567 V N 3.567 123.291 119.914 -0.317 0.000 2.350 567 V HA 0.339 4.460 4.120 0.001 0.000 0.285 567 V C -0.737 175.097 176.094 -0.434 0.000 1.014 567 V CA -0.607 61.505 62.300 -0.312 0.000 0.831 567 V CB 0.945 32.486 31.823 -0.470 0.000 1.000 567 V HN 0.535 nan 8.190 nan 0.000 0.433 568 F N 5.808 125.621 119.950 -0.227 0.000 2.421 568 F HA 0.511 5.039 4.527 0.001 0.000 0.358 568 F C 0.120 175.735 175.800 -0.309 0.000 1.115 568 F CA -0.169 57.668 58.000 -0.272 0.000 1.160 568 F CB 0.858 39.735 39.000 -0.205 0.000 1.123 568 F HN 0.252 nan 8.300 nan 0.000 0.508 569 L N 4.585 125.650 121.223 -0.263 0.000 2.329 569 L HA 0.540 4.880 4.340 0.001 0.000 0.279 569 L C -0.841 175.775 176.870 -0.423 0.000 1.014 569 L CA -0.400 54.302 54.840 -0.230 0.000 0.814 569 L CB 1.219 43.168 42.059 -0.184 0.000 1.257 569 L HN 0.399 nan 8.230 nan 0.000 0.424 570 F N 0.440 120.254 119.950 -0.227 0.000 2.532 570 F HA 0.774 5.302 4.527 0.001 0.000 0.321 570 F C 0.559 176.177 175.800 -0.304 0.000 1.089 570 F CA -0.681 57.058 58.000 -0.436 0.000 0.926 570 F CB 2.408 40.800 39.000 -1.012 0.000 1.168 570 F HN 0.394 nan 8.300 nan 0.000 0.459 571 G N 1.321 110.025 108.800 -0.160 0.000 2.707 571 G HA2 0.773 4.734 3.960 0.001 0.000 0.299 571 G HA3 0.773 4.734 3.960 0.001 0.000 0.299 571 G C -1.840 172.942 174.900 -0.197 0.000 1.442 571 G CA -0.744 44.234 45.100 -0.202 0.000 1.009 571 G HN 0.991 nan 8.290 nan 0.000 0.515 572 A N 2.289 125.261 122.820 0.254 0.000 2.586 572 A HA 0.739 5.060 4.320 0.001 0.000 0.296 572 A C -1.107 176.678 177.584 0.336 0.000 1.040 572 A CA -0.904 51.284 52.037 0.251 0.000 0.701 572 A CB 1.240 20.346 19.000 0.177 0.000 1.277 572 A HN 0.657 nan 8.150 nan 0.000 0.413 573 K N 0.631 121.174 120.400 0.238 0.000 2.318 573 K HA 0.781 5.101 4.320 0.001 0.000 0.249 573 K C -0.295 176.451 176.600 0.244 0.000 0.942 573 K CA -0.507 55.923 56.287 0.238 0.000 0.808 573 K CB 2.614 35.132 32.500 0.031 0.000 1.189 573 K HN 1.056 nan 8.250 nan 0.000 0.428 574 A N 1.365 124.357 122.820 0.287 0.000 2.301 574 A HA 0.637 4.957 4.320 0.001 0.000 0.312 574 A C -0.170 177.574 177.584 0.268 0.000 1.182 574 A CA -0.646 51.489 52.037 0.163 0.000 0.826 574 A CB 0.780 19.790 19.000 0.016 0.000 1.134 574 A HN 0.807 nan 8.150 nan 0.000 0.501 575 A N 3.668 126.637 122.820 0.249 0.000 2.567 575 A HA 0.404 4.725 4.320 0.001 0.000 0.240 575 A C -1.441 176.191 177.584 0.080 0.000 1.053 575 A CA -0.535 51.636 52.037 0.223 0.000 0.755 575 A CB -0.384 18.719 19.000 0.172 0.000 0.978 575 A HN 0.606 nan 8.150 nan 0.000 0.507 576 P HA -0.095 nan 4.420 nan 0.000 0.219 576 P C 1.243 178.447 177.300 -0.159 0.000 1.146 576 P CA 1.798 64.802 63.100 -0.160 0.000 0.808 576 P CB 0.252 31.841 31.700 -0.186 0.000 0.779 577 G N -2.936 105.752 108.800 -0.186 0.000 3.233 577 G HA2 -0.091 3.870 3.960 0.001 0.000 0.234 577 G HA3 -0.091 3.870 3.960 0.001 0.000 0.234 577 G C -0.236 174.279 174.900 -0.641 0.000 1.137 577 G CA 0.028 44.867 45.100 -0.435 0.000 0.763 577 G HN 0.153 nan 8.290 nan 0.000 0.549 578 Y N 2.355 122.383 120.300 -0.453 0.000 2.714 578 Y HA 0.378 4.928 4.550 0.001 0.000 0.333 578 Y C 0.654 176.412 175.900 -0.237 0.000 1.220 578 Y CA -2.435 55.465 58.100 -0.333 0.000 1.513 578 Y CB -0.423 37.921 38.460 -0.194 0.000 1.435 578 Y HN 0.215 nan 8.280 nan 0.000 0.489 579 Y N 2.033 122.456 120.300 0.206 0.000 2.181 579 Y HA -0.256 4.295 4.550 0.001 0.000 0.288 579 Y C 2.137 178.063 175.900 0.043 0.000 1.146 579 Y CA 1.191 59.341 58.100 0.083 0.000 1.164 579 Y CB -0.847 37.652 38.460 0.065 0.000 0.982 579 Y HN 0.484 nan 8.280 nan 0.000 0.515 580 L N 0.473 121.838 121.223 0.235 0.000 2.046 580 L HA -0.121 4.220 4.340 0.001 0.000 0.208 580 L C 2.289 179.062 176.870 -0.161 0.000 1.077 580 L CA 2.042 56.934 54.840 0.086 0.000 0.747 580 L CB -1.317 40.843 42.059 0.168 0.000 0.896 580 L HN 0.132 nan 8.230 nan 0.000 0.432 581 A N -0.690 121.806 122.820 -0.540 0.000 1.930 581 A HA -0.204 4.116 4.320 0.001 0.000 0.217 581 A C 2.294 179.710 177.584 -0.281 0.000 1.175 581 A CA 1.739 53.369 52.037 -0.679 0.000 0.627 581 A CB -0.489 17.689 19.000 -1.371 0.000 0.815 581 A HN 0.530 nan 8.150 nan 0.000 0.443 582 K N -0.261 120.054 120.400 -0.142 0.000 2.211 582 K HA -0.103 4.217 4.320 0.001 0.000 0.203 582 K C 1.867 178.491 176.600 0.040 0.000 1.050 582 K CA 1.115 57.395 56.287 -0.013 0.000 0.945 582 K CB -0.199 32.327 32.500 0.043 0.000 0.732 582 K HN 0.599 nan 8.250 nan 0.000 0.451 583 N N 1.049 119.781 118.700 0.054 0.000 2.300 583 N HA -0.071 4.670 4.740 0.001 0.000 0.179 583 N C 1.699 177.291 175.510 0.137 0.000 1.016 583 N CA 0.582 53.730 53.050 0.163 0.000 0.876 583 N CB 0.165 38.754 38.487 0.170 0.000 0.979 583 N HN 0.119 nan 8.380 nan 0.000 0.432 584 I N 0.903 121.462 120.570 -0.020 0.000 2.439 584 I HA -0.194 3.977 4.170 0.001 0.000 0.251 584 I C 2.117 178.177 176.117 -0.096 0.000 1.139 584 I CA 0.549 61.786 61.300 -0.106 0.000 1.438 584 I CB -0.044 37.820 38.000 -0.227 0.000 1.085 584 I HN 0.129 nan 8.210 nan 0.000 0.427 585 I N 0.052 120.611 120.570 -0.018 0.000 2.163 585 I HA -0.349 3.822 4.170 0.001 0.000 0.243 585 I C 2.497 178.609 176.117 -0.010 0.000 1.085 585 I CA 1.526 62.849 61.300 0.038 0.000 1.347 585 I CB -0.392 37.632 38.000 0.040 0.000 1.044 585 I HN 0.182 nan 8.210 nan 0.000 0.408 586 F N 1.915 121.803 119.950 -0.103 0.000 2.095 586 F HA -0.269 4.259 4.527 0.001 0.000 0.298 586 F C 2.476 178.252 175.800 -0.041 0.000 1.104 586 F CA 1.387 59.364 58.000 -0.038 0.000 1.232 586 F CB -0.843 38.219 39.000 0.102 0.000 0.987 586 F HN 0.037 nan 8.300 nan 0.000 0.475 587 A N 0.658 123.356 122.820 -0.204 0.000 1.883 587 A HA -0.186 4.135 4.320 0.001 0.000 0.217 587 A C 2.403 179.630 177.584 -0.595 0.000 1.186 587 A CA 2.094 53.655 52.037 -0.794 0.000 0.624 587 A CB -1.273 17.179 19.000 -0.913 0.000 0.822 587 A HN 0.483 nan 8.150 nan 0.000 0.444 588 I N -0.005 120.318 120.570 -0.412 0.000 2.163 588 I HA -0.288 3.882 4.170 0.001 0.000 0.243 588 I C 2.235 178.165 176.117 -0.312 0.000 1.085 588 I CA 1.369 62.423 61.300 -0.410 0.000 1.347 588 I CB -0.496 37.196 38.000 -0.513 0.000 1.044 588 I HN 0.317 nan 8.210 nan 0.000 0.408 589 N N 0.773 119.326 118.700 -0.244 0.000 2.120 589 N HA -0.157 4.584 4.740 0.001 0.000 0.188 589 N C 1.814 177.202 175.510 -0.203 0.000 1.024 589 N CA 1.158 54.072 53.050 -0.228 0.000 0.852 589 N CB -0.185 38.100 38.487 -0.336 0.000 1.003 589 N HN 0.247 nan 8.380 nan 0.000 0.424 590 K N 0.813 121.062 120.400 -0.250 0.000 2.062 590 K HA 0.052 4.373 4.320 0.001 0.000 0.205 590 K C 2.147 178.633 176.600 -0.190 0.000 1.051 590 K CA 0.311 56.491 56.287 -0.180 0.000 0.941 590 K CB -0.843 31.549 32.500 -0.179 0.000 0.719 590 K HN 0.007 nan 8.250 nan 0.000 0.440 591 V N 1.708 121.352 119.914 -0.451 0.000 2.343 591 V HA -0.247 3.873 4.120 0.001 0.000 0.247 591 V C 2.411 178.292 176.094 -0.356 0.000 1.051 591 V CA 1.993 63.877 62.300 -0.693 0.000 1.036 591 V CB -0.767 30.547 31.823 -0.848 0.000 0.654 591 V HN 0.282 nan 8.190 nan 0.000 0.451 592 A N -0.412 122.248 122.820 -0.267 0.000 1.898 592 A HA -0.238 4.082 4.320 0.001 0.000 0.216 592 A C 2.022 179.534 177.584 -0.119 0.000 1.181 592 A CA 1.852 53.782 52.037 -0.178 0.000 0.620 592 A CB -0.598 18.334 19.000 -0.113 0.000 0.819 592 A HN 0.526 nan 8.150 nan 0.000 0.442 593 D N -0.259 120.091 120.400 -0.083 0.000 2.149 593 D HA -0.112 4.529 4.640 0.001 0.000 0.198 593 D C 2.057 178.348 176.300 -0.015 0.000 0.990 593 D CA 1.417 55.397 54.000 -0.033 0.000 0.839 593 D CB -0.238 40.556 40.800 -0.009 0.000 0.948 593 D HN 0.241 nan 8.370 nan 0.000 0.460 594 V N 1.092 121.012 119.914 0.010 0.000 2.255 594 V HA -0.174 3.947 4.120 0.001 0.000 0.243 594 V C 2.557 178.623 176.094 -0.048 0.000 1.038 594 V CA 0.977 63.316 62.300 0.064 0.000 1.008 594 V CB -0.280 31.711 31.823 0.280 0.000 0.645 594 V HN 0.152 nan 8.190 nan 0.000 0.449 595 I N 0.869 121.305 120.570 -0.223 0.000 2.335 595 I HA -0.226 3.945 4.170 0.001 0.000 0.251 595 I C 2.098 178.099 176.117 -0.194 0.000 1.129 595 I CA 1.306 62.355 61.300 -0.418 0.000 1.402 595 I CB -0.476 37.176 38.000 -0.580 0.000 1.069 595 I HN 0.377 nan 8.210 nan 0.000 0.424 596 N N 0.848 119.476 118.700 -0.120 0.000 2.459 596 N HA -0.077 4.664 4.740 0.001 0.000 0.181 596 N C 0.886 176.376 175.510 -0.033 0.000 1.046 596 N CA 0.843 53.853 53.050 -0.066 0.000 0.904 596 N CB -0.223 38.237 38.487 -0.045 0.000 0.964 596 N HN 0.443 nan 8.380 nan 0.000 0.444 597 N N 0.419 119.107 118.700 -0.021 0.000 2.200 597 N HA -0.028 4.713 4.740 0.001 0.000 0.224 597 N C -0.693 174.828 175.510 0.019 0.000 1.179 597 N CA -0.064 52.987 53.050 0.002 0.000 0.877 597 N CB 0.872 39.364 38.487 0.008 0.000 1.072 597 N HN 0.124 nan 8.380 nan 0.000 0.519 598 D N 2.365 122.782 120.400 0.028 0.000 2.380 598 D HA 0.146 4.787 4.640 0.001 0.000 0.230 598 D C -1.356 174.979 176.300 0.057 0.000 1.154 598 D CA -2.016 52.024 54.000 0.066 0.000 0.859 598 D CB 1.710 42.596 40.800 0.144 0.000 1.045 598 D HN 0.022 nan 8.370 nan 0.000 0.495 599 P HA -0.167 nan 4.420 nan 0.000 0.221 599 P C 1.548 178.872 177.300 0.040 0.000 1.145 599 P CA 0.195 63.315 63.100 0.033 0.000 0.795 599 P CB 0.501 32.216 31.700 0.025 0.000 0.775 600 L N -0.505 120.751 121.223 0.055 0.000 2.275 600 L HA -0.082 4.258 4.340 0.001 0.000 0.215 600 L C 2.298 179.209 176.870 0.069 0.000 1.119 600 L CA 1.433 56.306 54.840 0.055 0.000 0.790 600 L CB -0.763 41.330 42.059 0.056 0.000 0.919 600 L HN -0.200 nan 8.230 nan 0.000 0.443 601 V N -1.170 118.796 119.914 0.088 0.000 2.436 601 V HA 0.290 4.411 4.120 0.001 0.000 0.240 601 V C 1.975 178.093 176.094 0.041 0.000 1.040 601 V CA 0.861 63.210 62.300 0.081 0.000 1.052 601 V CB -1.024 30.852 31.823 0.089 0.000 0.707 601 V HN 0.584 nan 8.190 nan 0.000 0.469 602 G N 0.809 109.626 108.800 0.028 0.000 2.629 602 G HA2 -0.385 3.576 3.960 0.001 0.000 0.313 602 G HA3 -0.385 3.576 3.960 0.001 0.000 0.313 602 G C 0.362 175.268 174.900 0.010 0.000 1.217 602 G CA 0.699 45.809 45.100 0.017 0.000 0.994 602 G HN 0.426 nan 8.290 nan 0.000 0.549 603 D N 1.097 121.503 120.400 0.010 0.000 2.336 603 D HA 0.261 4.902 4.640 0.001 0.000 0.228 603 D C 2.015 178.316 176.300 0.002 0.000 1.120 603 D CA 0.264 54.268 54.000 0.006 0.000 0.839 603 D CB 0.261 41.066 40.800 0.009 0.000 0.932 603 D HN 0.505 nan 8.370 nan 0.000 0.509 604 K N -0.426 119.978 120.400 0.007 0.000 2.361 604 K HA 0.214 4.535 4.320 0.001 0.000 0.196 604 K C 0.346 176.951 176.600 0.007 0.000 1.039 604 K CA 0.375 56.665 56.287 0.005 0.000 1.001 604 K CB 1.419 33.931 32.500 0.020 0.000 0.795 604 K HN 0.025 nan 8.250 nan 0.000 0.495 605 L N 1.215 122.443 121.223 0.008 0.000 2.710 605 L HA 0.277 4.618 4.340 0.001 0.000 0.262 605 L C -1.745 175.120 176.870 -0.009 0.000 0.940 605 L CA -0.497 54.356 54.840 0.021 0.000 0.944 605 L CB 1.628 43.700 42.059 0.022 0.000 1.348 605 L HN -0.100 nan 8.230 nan 0.000 0.425 606 K N 3.160 123.562 120.400 0.004 0.000 2.385 606 K HA 0.701 5.022 4.320 0.001 0.000 0.248 606 K C -1.261 175.353 176.600 0.024 0.000 0.955 606 K CA -0.723 55.551 56.287 -0.021 0.000 0.816 606 K CB 3.207 35.681 32.500 -0.043 0.000 1.250 606 K HN 0.280 nan 8.250 nan 0.000 0.434 607 V N 1.964 121.879 119.914 0.002 0.000 2.349 607 V HA 0.275 4.395 4.120 0.001 0.000 0.284 607 V C -0.413 175.719 176.094 0.063 0.000 1.014 607 V CA -0.997 61.337 62.300 0.058 0.000 0.826 607 V CB 1.579 33.405 31.823 0.005 0.000 1.009 607 V HN 0.396 nan 8.190 nan 0.000 0.431 608 V N 5.497 125.454 119.914 0.072 0.000 2.350 608 V HA 0.407 4.528 4.120 0.001 0.000 0.276 608 V C -0.451 175.782 176.094 0.232 0.000 1.028 608 V CA -0.419 61.944 62.300 0.105 0.000 0.860 608 V CB 1.475 33.319 31.823 0.035 0.000 0.990 608 V HN 0.685 nan 8.190 nan 0.000 0.453 609 F N 6.407 126.438 119.950 0.134 0.000 2.335 609 F HA 0.481 5.009 4.527 0.001 0.000 0.365 609 F C -0.164 175.795 175.800 0.265 0.000 1.122 609 F CA -1.524 56.596 58.000 0.200 0.000 1.151 609 F CB 0.750 39.771 39.000 0.034 0.000 1.282 609 F HN 0.207 nan 8.300 nan 0.000 0.513 610 L N 8.183 129.754 121.223 0.580 0.000 2.418 610 L HA 0.251 4.592 4.340 0.001 0.000 0.274 610 L C -1.994 175.116 176.870 0.400 0.000 1.135 610 L CA -2.070 53.006 54.840 0.393 0.000 0.870 610 L CB 0.044 42.294 42.059 0.319 0.000 1.154 610 L HN 0.386 nan 8.230 nan 0.000 0.462 611 P HA 0.124 nan 4.420 nan 0.000 0.271 611 P C -0.049 177.219 177.300 -0.053 0.000 1.216 611 P CA -0.053 62.916 63.100 -0.217 0.000 0.776 611 P CB 0.475 31.938 31.700 -0.395 0.000 0.881 612 D N 0.120 120.474 120.400 -0.077 0.000 2.873 612 D HA -0.227 4.414 4.640 0.001 0.000 0.228 612 D C -0.747 175.606 176.300 0.088 0.000 1.122 612 D CA 0.350 54.336 54.000 -0.025 0.000 0.758 612 D CB -2.021 38.749 40.800 -0.051 0.000 1.094 612 D HN 0.324 nan 8.370 nan 0.000 0.434 613 Y N 0.888 121.214 120.300 0.044 0.000 2.895 613 Y HA 0.189 4.740 4.550 0.001 0.000 0.334 613 Y C 0.865 176.786 175.900 0.034 0.000 1.261 613 Y CA 0.312 58.463 58.100 0.085 0.000 1.560 613 Y CB -0.007 38.526 38.460 0.123 0.000 1.253 613 Y HN 0.416 nan 8.280 nan 0.000 0.582 614 C N 3.277 122.305 119.300 -0.454 0.000 3.320 614 C HA 0.498 4.959 4.460 0.001 0.000 0.335 614 C C 1.054 175.824 174.990 -0.368 0.000 1.430 614 C CA -0.480 58.308 59.018 -0.384 0.000 1.271 614 C CB 0.643 28.291 27.740 -0.153 0.000 1.609 614 C HN 0.645 nan 8.230 nan 0.000 0.457 615 V N 1.549 121.349 119.914 -0.190 0.000 2.282 615 V HA -0.189 3.932 4.120 0.001 0.000 0.249 615 V C 2.685 178.777 176.094 -0.003 0.000 1.057 615 V CA 3.051 65.337 62.300 -0.023 0.000 1.032 615 V CB -1.080 30.736 31.823 -0.011 0.000 0.645 615 V HN 0.976 nan 8.190 nan 0.000 0.447 616 S N -0.122 115.546 115.700 -0.054 0.000 2.370 616 S HA -0.219 4.252 4.470 0.001 0.000 0.226 616 S C 2.196 176.758 174.600 -0.064 0.000 1.033 616 S CA 1.564 59.730 58.200 -0.057 0.000 1.011 616 S CB -0.530 62.646 63.200 -0.041 0.000 0.852 616 S HN 0.682 nan 8.310 nan 0.000 0.457 617 A N 1.588 124.408 122.820 -0.000 0.000 1.855 617 A HA 0.122 4.443 4.320 0.001 0.000 0.215 617 A C 2.399 180.057 177.584 0.123 0.000 1.191 617 A CA 1.735 53.819 52.037 0.079 0.000 0.613 617 A CB -1.263 17.915 19.000 0.296 0.000 0.829 617 A HN 0.524 nan 8.150 nan 0.000 0.442 618 A N -0.069 122.866 122.820 0.193 0.000 1.948 618 A HA -0.246 4.075 4.320 0.001 0.000 0.220 618 A C 1.878 179.638 177.584 0.294 0.000 1.177 618 A CA 1.874 54.089 52.037 0.296 0.000 0.636 618 A CB -0.657 18.503 19.000 0.267 0.000 0.815 618 A HN 0.671 nan 8.150 nan 0.000 0.449 619 E N -0.510 119.846 120.200 0.261 0.000 2.153 619 E HA -0.181 4.170 4.350 0.001 0.000 0.194 619 E C 1.875 178.497 176.600 0.037 0.000 0.988 619 E CA 1.124 57.629 56.400 0.174 0.000 0.811 619 E CB -0.039 29.649 29.700 -0.020 0.000 0.746 619 E HN 0.428 nan 8.360 nan 0.000 0.466 620 K N 0.443 120.793 120.400 -0.083 0.000 2.098 620 K HA -0.017 4.304 4.320 0.001 0.000 0.203 620 K C 2.238 178.834 176.600 -0.006 0.000 1.051 620 K CA 0.626 56.814 56.287 -0.165 0.000 0.957 620 K CB -0.283 31.875 32.500 -0.570 0.000 0.738 620 K HN 0.157 nan 8.250 nan 0.000 0.447 621 L N 0.688 121.949 121.223 0.064 0.000 2.072 621 L HA -0.053 4.288 4.340 0.001 0.000 0.205 621 L C 2.459 179.396 176.870 0.111 0.000 1.079 621 L CA 0.883 55.796 54.840 0.122 0.000 0.752 621 L CB -0.380 41.770 42.059 0.152 0.000 0.906 621 L HN 0.024 nan 8.230 nan 0.000 0.436 622 I N -0.105 120.533 120.570 0.113 0.000 2.226 622 I HA -0.189 3.982 4.170 0.001 0.000 0.245 622 I C -0.464 175.697 176.117 0.074 0.000 1.100 622 I CA 1.256 62.608 61.300 0.087 0.000 1.374 622 I CB -1.090 36.966 38.000 0.092 0.000 1.057 622 I HN 0.207 nan 8.210 nan 0.000 0.413 623 P HA -0.083 nan 4.420 nan 0.000 0.230 623 P C 0.794 178.103 177.300 0.014 0.000 1.158 623 P CA 0.983 64.101 63.100 0.030 0.000 0.769 623 P CB 0.075 31.786 31.700 0.018 0.000 0.807 624 A N -1.063 121.791 122.820 0.057 0.000 2.267 624 A HA 0.507 4.828 4.320 0.001 0.000 0.213 624 A C 1.168 178.813 177.584 0.102 0.000 1.192 624 A CA 0.033 52.110 52.037 0.065 0.000 0.851 624 A CB -0.599 18.503 19.000 0.170 0.000 0.881 624 A HN 0.190 nan 8.150 nan 0.000 0.494 625 A N 0.026 122.911 122.820 0.108 0.000 2.445 625 A HA 0.418 4.739 4.320 0.001 0.000 0.242 625 A C 0.431 178.103 177.584 0.147 0.000 1.075 625 A CA 0.158 52.272 52.037 0.129 0.000 0.777 625 A CB 0.261 19.311 19.000 0.083 0.000 1.013 625 A HN 0.304 nan 8.150 nan 0.000 0.493 626 D N 0.140 120.648 120.400 0.180 0.000 2.525 626 D HA 0.150 4.791 4.640 0.001 0.000 0.248 626 D C 0.078 176.595 176.300 0.362 0.000 1.000 626 D CA 0.757 54.954 54.000 0.329 0.000 0.923 626 D CB 0.274 41.218 40.800 0.240 0.000 1.101 626 D HN 0.354 nan 8.370 nan 0.000 0.493 627 I N 1.143 121.818 120.570 0.175 0.000 2.404 627 I HA 0.174 4.345 4.170 0.001 0.000 0.293 627 I C -0.030 176.119 176.117 0.053 0.000 0.992 627 I CA -0.482 60.889 61.300 0.119 0.000 1.149 627 I CB 1.702 39.705 38.000 0.006 0.000 1.315 627 I HN -0.226 nan 8.210 nan 0.000 0.446 628 S N 6.687 122.425 115.700 0.063 0.000 2.498 628 S HA 0.349 4.820 4.470 0.001 0.000 0.324 628 S C -0.337 174.287 174.600 0.039 0.000 1.071 628 S CA -0.648 57.568 58.200 0.026 0.000 1.113 628 S CB 0.517 63.727 63.200 0.017 0.000 0.976 628 S HN 0.443 nan 8.310 nan 0.000 0.462 629 E N 3.757 123.965 120.200 0.014 0.000 2.194 629 E HA 0.230 4.581 4.350 0.001 0.000 0.284 629 E C -0.477 176.138 176.600 0.026 0.000 1.035 629 E CA -0.339 56.088 56.400 0.045 0.000 0.836 629 E CB 0.967 30.674 29.700 0.011 0.000 1.070 629 E HN 0.596 nan 8.360 nan 0.000 0.401 630 Q N 2.610 122.450 119.800 0.067 0.000 3.394 630 Q HA 0.236 4.577 4.340 0.001 0.000 0.285 630 Q C 0.480 176.508 176.000 0.047 0.000 0.866 630 Q CA -0.038 55.785 55.803 0.033 0.000 0.844 630 Q CB 0.145 28.893 28.738 0.017 0.000 1.472 630 Q HN 0.624 nan 8.270 nan 0.000 0.401 631 I N -2.044 118.544 120.570 0.031 0.000 3.877 631 I HA 0.281 4.452 4.170 0.001 0.000 0.332 631 I C 0.611 176.715 176.117 -0.022 0.000 1.525 631 I CA -0.624 60.693 61.300 0.028 0.000 1.146 631 I CB 0.451 38.445 38.000 -0.009 0.000 1.137 631 I HN -0.000 nan 8.210 nan 0.000 0.424 632 S N 0.446 116.146 115.700 -0.000 0.000 2.579 632 S HA 0.185 4.656 4.470 0.001 0.000 0.275 632 S C 0.574 175.199 174.600 0.042 0.000 1.345 632 S CA -0.268 57.968 58.200 0.060 0.000 1.031 632 S CB 0.357 63.664 63.200 0.177 0.000 0.892 632 S HN 0.334 nan 8.310 nan 0.000 0.529 633 T N 2.817 117.437 114.554 0.111 0.000 2.866 633 T HA 0.311 4.662 4.350 0.001 0.000 0.293 633 T C 0.768 175.485 174.700 0.028 0.000 1.005 633 T CA 0.474 62.625 62.100 0.084 0.000 1.162 633 T CB -0.267 68.735 68.868 0.223 0.000 0.968 633 T HN 1.033 nan 8.240 nan 0.000 0.530 634 A N 3.061 125.860 122.820 -0.035 0.000 2.580 634 A HA 0.441 4.762 4.320 0.001 0.000 0.244 634 A C 1.661 179.224 177.584 -0.035 0.000 1.045 634 A CA 0.317 52.325 52.037 -0.048 0.000 0.761 634 A CB -0.855 18.108 19.000 -0.062 0.000 0.962 634 A HN 1.683 nan 8.150 nan 0.000 0.512 635 G N 2.054 110.833 108.800 -0.035 0.000 2.176 635 G HA2 -0.201 3.759 3.960 0.001 0.000 0.232 635 G HA3 -0.201 3.759 3.960 0.001 0.000 0.232 635 G C 0.894 175.757 174.900 -0.061 0.000 0.986 635 G CA 0.594 45.670 45.100 -0.040 0.000 0.643 635 G HN 0.658 nan 8.290 nan 0.000 0.522 636 K N 0.130 120.484 120.400 -0.076 0.000 2.287 636 K HA 0.233 4.553 4.320 0.001 0.000 0.199 636 K C 0.834 177.179 176.600 -0.426 0.000 1.061 636 K CA 0.539 56.678 56.287 -0.246 0.000 0.976 636 K CB 0.213 32.602 32.500 -0.184 0.000 0.898 636 K HN 0.448 nan 8.250 nan 0.000 0.492 637 E N 0.916 121.036 120.200 -0.133 0.000 2.152 637 E HA 0.300 4.651 4.350 0.001 0.000 0.285 637 E C 0.508 177.061 176.600 -0.079 0.000 1.043 637 E CA -0.088 56.304 56.400 -0.014 0.000 0.839 637 E CB 1.333 31.123 29.700 0.150 0.000 1.069 637 E HN 0.146 nan 8.360 nan 0.000 0.399 638 A N 3.421 126.143 122.820 -0.165 0.000 1.897 638 A HA -0.045 4.276 4.320 0.001 0.000 0.215 638 A C 1.837 179.327 177.584 -0.158 0.000 1.181 638 A CA 1.624 53.484 52.037 -0.296 0.000 0.620 638 A CB -0.147 18.354 19.000 -0.832 0.000 0.821 638 A HN 0.603 nan 8.150 nan 0.000 0.443 639 S N -3.424 112.221 115.700 -0.090 0.000 4.567 639 S HA 0.486 4.957 4.470 0.001 0.000 0.167 639 S C 0.534 175.133 174.600 -0.002 0.000 1.007 639 S CA 1.473 59.665 58.200 -0.014 0.000 1.212 639 S CB 0.152 63.364 63.200 0.021 0.000 1.741 639 S HN 2.168 nan 8.310 nan 0.000 0.689 640 G N 0.032 108.833 108.800 0.002 0.000 2.697 640 G HA2 0.100 4.061 3.960 0.001 0.000 0.686 640 G HA3 0.100 4.061 3.960 0.001 0.000 0.686 640 G C 0.144 175.026 174.900 -0.030 0.000 1.179 640 G CA 0.507 45.599 45.100 -0.013 0.000 0.765 640 G HN 1.303 nan 8.290 nan 0.000 0.649 641 T N -2.141 112.375 114.554 -0.063 0.000 3.051 641 T HA 0.351 4.702 4.350 0.001 0.000 0.254 641 T C 2.349 176.947 174.700 -0.171 0.000 0.916 641 T CA 1.256 63.300 62.100 -0.092 0.000 0.894 641 T CB 0.241 69.057 68.868 -0.086 0.000 1.251 641 T HN 1.875 nan 8.240 nan 0.000 0.517 642 G N 3.310 112.012 108.800 -0.164 0.000 2.450 642 G HA2 -0.262 3.699 3.960 0.001 0.000 0.220 642 G HA3 -0.262 3.699 3.960 0.001 0.000 0.220 642 G C 1.526 176.321 174.900 -0.174 0.000 1.130 642 G CA 1.308 46.285 45.100 -0.206 0.000 0.760 642 G HN 0.683 nan 8.290 nan 0.000 0.557 643 N N 1.096 119.712 118.700 -0.141 0.000 2.137 643 N HA -0.176 4.565 4.740 0.001 0.000 0.190 643 N C 1.968 177.360 175.510 -0.197 0.000 1.017 643 N CA 1.918 54.881 53.050 -0.146 0.000 0.859 643 N CB -0.647 37.757 38.487 -0.139 0.000 1.002 643 N HN 0.434 nan 8.380 nan 0.000 0.428 644 M N 0.025 119.482 119.600 -0.238 0.000 2.156 644 M HA 0.057 4.538 4.480 0.001 0.000 0.264 644 M C 2.046 178.260 176.300 -0.144 0.000 1.067 644 M CA 1.265 56.411 55.300 -0.257 0.000 1.131 644 M CB -0.169 32.312 32.600 -0.199 0.000 1.368 644 M HN 0.006 nan 8.290 nan 0.000 0.416 645 K N 0.791 121.080 120.400 -0.185 0.000 2.063 645 K HA -0.114 4.206 4.320 0.001 0.000 0.208 645 K C 1.872 178.421 176.600 -0.085 0.000 1.048 645 K CA 1.323 57.503 56.287 -0.178 0.000 0.928 645 K CB -0.348 31.888 32.500 -0.439 0.000 0.713 645 K HN 0.262 nan 8.250 nan 0.000 0.442 646 L N 0.199 121.360 121.223 -0.102 0.000 2.005 646 L HA -0.171 4.170 4.340 0.001 0.000 0.207 646 L C 2.568 179.423 176.870 -0.024 0.000 1.072 646 L CA 1.157 55.967 54.840 -0.049 0.000 0.744 646 L CB -0.606 41.421 42.059 -0.053 0.000 0.895 646 L HN 0.230 nan 8.230 nan 0.000 0.433 647 A N 0.170 122.958 122.820 -0.053 0.000 1.903 647 A HA -0.256 4.065 4.320 0.001 0.000 0.219 647 A C 2.224 179.810 177.584 0.002 0.000 1.191 647 A CA 1.892 53.904 52.037 -0.042 0.000 0.638 647 A CB -0.967 17.971 19.000 -0.103 0.000 0.823 647 A HN 0.391 nan 8.150 nan 0.000 0.451 648 L N -0.447 120.782 121.223 0.009 0.000 2.265 648 L HA -0.125 4.215 4.340 0.001 0.000 0.215 648 L C 1.479 178.379 176.870 0.049 0.000 1.117 648 L CA 0.897 55.766 54.840 0.048 0.000 0.782 648 L CB -0.284 41.821 42.059 0.075 0.000 0.914 648 L HN 0.419 nan 8.230 nan 0.000 0.441 649 N N -0.337 118.385 118.700 0.036 0.000 2.235 649 N HA 0.093 4.834 4.740 0.001 0.000 0.209 649 N C 1.031 176.542 175.510 0.002 0.000 1.122 649 N CA 0.873 53.930 53.050 0.011 0.000 0.845 649 N CB 1.104 39.605 38.487 0.024 0.000 1.004 649 N HN 0.359 nan 8.380 nan 0.000 0.499 650 G N 0.224 109.070 108.800 0.076 0.000 2.144 650 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 650 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 650 G C 0.095 175.072 174.900 0.128 0.000 0.988 650 G CA 0.088 45.275 45.100 0.145 0.000 0.659 650 G HN 0.525 nan 8.290 nan 0.000 0.522 651 A N -0.239 122.632 122.820 0.085 0.000 2.282 651 A HA 0.889 5.210 4.320 0.001 0.000 0.319 651 A C 0.295 177.902 177.584 0.040 0.000 1.121 651 A CA -0.501 51.602 52.037 0.111 0.000 0.836 651 A CB 0.898 19.956 19.000 0.097 0.000 1.146 651 A HN 0.709 nan 8.150 nan 0.000 0.494 652 L N 0.655 121.907 121.223 0.050 0.000 2.334 652 L HA 0.463 4.804 4.340 0.001 0.000 0.275 652 L C -0.009 176.929 176.870 0.112 0.000 1.036 652 L CA -0.527 54.304 54.840 -0.015 0.000 0.807 652 L CB 1.995 43.970 42.059 -0.139 0.000 1.231 652 L HN 0.707 nan 8.230 nan 0.000 0.438 653 T N 1.509 116.128 114.554 0.110 0.000 2.829 653 T HA 0.392 4.742 4.350 0.001 0.000 0.282 653 T C -0.217 174.644 174.700 0.268 0.000 0.990 653 T CA -0.380 61.803 62.100 0.138 0.000 1.028 653 T CB 1.885 70.790 68.868 0.061 0.000 0.951 653 T HN 0.185 nan 8.240 nan 0.000 0.460 654 V N 3.178 123.238 119.914 0.242 0.000 2.311 654 V HA 0.776 4.897 4.120 0.001 0.000 0.275 654 V C 0.573 176.903 176.094 0.393 0.000 1.022 654 V CA -0.226 62.259 62.300 0.308 0.000 0.830 654 V CB 0.842 32.754 31.823 0.148 0.000 1.012 654 V HN 1.105 nan 8.190 nan 0.000 0.452 655 G N 2.778 111.862 108.800 0.473 0.000 2.660 655 G HA2 0.637 4.598 3.960 0.001 0.000 0.290 655 G HA3 0.637 4.598 3.960 0.001 0.000 0.290 655 G C -0.498 174.345 174.900 -0.096 0.000 1.432 655 G CA -0.215 45.054 45.100 0.283 0.000 0.807 655 G HN 0.613 nan 8.290 nan 0.000 0.485 656 T N -1.154 113.189 114.554 -0.352 0.000 2.849 656 T HA 0.509 4.860 4.350 0.001 0.000 0.284 656 T C 0.569 175.136 174.700 -0.222 0.000 1.004 656 T CA -0.648 61.155 62.100 -0.496 0.000 1.021 656 T CB 1.316 69.909 68.868 -0.459 0.000 1.013 656 T HN 0.373 nan 8.240 nan 0.000 0.527 657 L N 2.192 123.301 121.223 -0.189 0.000 2.395 657 L HA 0.321 4.661 4.340 0.001 0.000 0.268 657 L C -0.254 176.572 176.870 -0.073 0.000 1.223 657 L CA 0.172 54.953 54.840 -0.098 0.000 1.093 657 L CB -0.657 41.355 42.059 -0.078 0.000 1.349 657 L HN 0.765 nan 8.230 nan 0.000 0.427 658 D N 0.860 121.225 120.400 -0.058 0.000 2.661 658 D HA 0.540 5.181 4.640 0.001 0.000 0.228 658 D C 0.573 176.865 176.300 -0.014 0.000 1.183 658 D CA 0.697 54.675 54.000 -0.036 0.000 0.844 658 D CB 2.115 42.890 40.800 -0.041 0.000 1.555 658 D HN 0.401 nan 8.370 nan 0.000 0.453 659 G N 1.466 110.268 108.800 0.004 0.000 2.684 659 G HA2 -0.287 3.674 3.960 0.001 0.000 0.332 659 G HA3 -0.287 3.674 3.960 0.001 0.000 0.332 659 G C 1.061 175.979 174.900 0.031 0.000 1.306 659 G CA 1.518 46.628 45.100 0.017 0.000 1.002 659 G HN 1.105 nan 8.290 nan 0.000 0.545 660 A N -0.290 122.544 122.820 0.023 0.000 2.235 660 A HA 0.168 4.489 4.320 0.001 0.000 0.208 660 A C 2.065 179.636 177.584 -0.021 0.000 1.172 660 A CA 1.693 53.755 52.037 0.041 0.000 0.786 660 A CB -0.343 18.680 19.000 0.038 0.000 0.804 660 A HN 0.540 nan 8.150 nan 0.000 0.479 661 N N 0.123 118.802 118.700 -0.036 0.000 2.244 661 N HA -0.136 4.605 4.740 0.001 0.000 0.183 661 N C 1.847 177.344 175.510 -0.021 0.000 1.016 661 N CA 1.532 54.551 53.050 -0.051 0.000 0.866 661 N CB -0.388 38.073 38.487 -0.043 0.000 0.980 661 N HN 0.460 nan 8.380 nan 0.000 0.430 662 V N 0.100 120.016 119.914 0.004 0.000 2.453 662 V HA -0.103 4.018 4.120 0.001 0.000 0.247 662 V C 1.697 177.825 176.094 0.056 0.000 1.048 662 V CA 1.593 63.904 62.300 0.018 0.000 1.049 662 V CB -0.352 31.478 31.823 0.012 0.000 0.672 662 V HN 0.146 nan 8.190 nan 0.000 0.457 663 E N 0.206 120.473 120.200 0.112 0.000 2.106 663 E HA -0.096 4.254 4.350 0.001 0.000 0.192 663 E C 2.123 178.902 176.600 0.298 0.000 0.984 663 E CA 1.828 58.360 56.400 0.221 0.000 0.806 663 E CB -0.227 29.679 29.700 0.342 0.000 0.750 663 E HN 0.712 nan 8.360 nan 0.000 0.458 664 I N 0.709 121.366 120.570 0.144 0.000 2.286 664 I HA -0.220 3.951 4.170 0.001 0.000 0.245 664 I C 2.474 178.610 176.117 0.031 0.000 1.104 664 I CA 0.776 62.086 61.300 0.017 0.000 1.397 664 I CB -0.256 37.598 38.000 -0.243 0.000 1.072 664 I HN 0.093 nan 8.210 nan 0.000 0.417 665 A N 1.581 124.406 122.820 0.009 0.000 1.902 665 A HA -0.236 4.085 4.320 0.001 0.000 0.217 665 A C 2.142 179.731 177.584 0.008 0.000 1.181 665 A CA 1.971 54.004 52.037 -0.007 0.000 0.623 665 A CB -0.679 18.312 19.000 -0.015 0.000 0.818 665 A HN 0.623 nan 8.150 nan 0.000 0.443 666 E N -0.555 119.665 120.200 0.034 0.000 2.274 666 E HA -0.110 4.241 4.350 0.001 0.000 0.194 666 E C 1.722 178.342 176.600 0.033 0.000 0.996 666 E CA 1.083 57.499 56.400 0.026 0.000 0.840 666 E CB -0.012 29.705 29.700 0.028 0.000 0.772 666 E HN 0.347 nan 8.360 nan 0.000 0.491 667 K N 0.789 121.231 120.400 0.070 0.000 2.067 667 K HA 0.007 4.327 4.320 0.001 0.000 0.203 667 K C 2.358 178.981 176.600 0.039 0.000 1.048 667 K CA 1.392 57.723 56.287 0.074 0.000 0.954 667 K CB -0.082 32.515 32.500 0.161 0.000 0.737 667 K HN 0.310 nan 8.250 nan 0.000 0.444 668 V N -1.692 118.239 119.914 0.028 0.000 3.129 668 V HA 0.238 4.358 4.120 0.001 0.000 0.259 668 V C 0.688 176.756 176.094 -0.043 0.000 1.116 668 V CA 0.681 62.973 62.300 -0.013 0.000 1.127 668 V CB -0.904 30.898 31.823 -0.035 0.000 0.742 668 V HN 0.361 nan 8.190 nan 0.000 0.474 669 G N 1.567 110.343 108.800 -0.040 0.000 2.895 669 G HA2 -0.151 3.809 3.960 0.001 0.000 0.686 669 G HA3 -0.151 3.809 3.960 0.001 0.000 0.686 669 G C 0.121 174.971 174.900 -0.083 0.000 1.108 669 G CA 0.072 45.138 45.100 -0.056 0.000 0.761 669 G HN 0.842 nan 8.290 nan 0.000 0.611 670 E N 0.510 120.665 120.200 -0.075 0.000 2.267 670 E HA -0.187 4.163 4.350 0.001 0.000 0.197 670 E C 1.736 178.251 176.600 -0.141 0.000 0.998 670 E CA 1.496 57.841 56.400 -0.092 0.000 0.830 670 E CB -0.033 29.630 29.700 -0.062 0.000 0.751 670 E HN 0.711 nan 8.360 nan 0.000 0.491 671 E N 1.168 121.287 120.200 -0.135 0.000 2.481 671 E HA -0.063 4.287 4.350 0.001 0.000 0.195 671 E C 0.500 176.950 176.600 -0.251 0.000 1.047 671 E CA 0.304 56.605 56.400 -0.166 0.000 0.867 671 E CB -0.141 29.491 29.700 -0.112 0.000 0.858 671 E HN 0.315 nan 8.360 nan 0.000 0.513 672 N N 0.654 119.204 118.700 -0.251 0.000 2.282 672 N HA 0.297 5.038 4.740 0.001 0.000 0.240 672 N C -0.344 174.956 175.510 -0.351 0.000 1.182 672 N CA -0.030 52.840 53.050 -0.300 0.000 0.874 672 N CB 1.596 39.957 38.487 -0.209 0.000 1.126 672 N HN 0.211 nan 8.380 nan 0.000 0.516 673 I N -0.641 119.674 120.570 -0.425 0.000 2.918 673 I HA 0.364 4.535 4.170 0.001 0.000 0.301 673 I C -1.517 174.329 176.117 -0.452 0.000 1.312 673 I CA -0.818 60.271 61.300 -0.351 0.000 1.007 673 I CB 1.912 39.827 38.000 -0.142 0.000 1.281 673 I HN -0.250 nan 8.210 nan 0.000 0.440 674 F N 7.318 127.279 119.950 0.018 0.000 2.318 674 F HA 0.437 4.964 4.527 0.001 0.000 0.356 674 F C 0.064 175.958 175.800 0.157 0.000 1.109 674 F CA -0.528 57.512 58.000 0.067 0.000 1.234 674 F CB 0.396 39.429 39.000 0.056 0.000 1.545 674 F HN 0.041 nan 8.300 nan 0.000 0.534 675 I N 3.415 124.123 120.570 0.230 0.000 2.532 675 I HA 0.416 4.587 4.170 0.001 0.000 0.292 675 I C -0.063 176.234 176.117 0.301 0.000 1.014 675 I CA -0.574 60.855 61.300 0.215 0.000 1.340 675 I CB 1.113 39.151 38.000 0.064 0.000 1.422 675 I HN 0.429 nan 8.210 nan 0.000 0.528 676 F N 1.823 121.800 119.950 0.046 0.000 2.817 676 F HA 0.770 5.298 4.527 0.001 0.000 0.317 676 F C -0.181 175.617 175.800 -0.003 0.000 1.168 676 F CA -0.278 57.739 58.000 0.030 0.000 0.911 676 F CB 0.866 39.906 39.000 0.066 0.000 1.337 676 F HN 0.826 nan 8.300 nan 0.000 0.464 677 G N 0.456 109.237 108.800 -0.031 0.000 2.728 677 G HA2 0.015 3.975 3.960 0.001 0.000 0.294 677 G HA3 0.015 3.975 3.960 0.001 0.000 0.294 677 G C -1.417 173.348 174.900 -0.225 0.000 1.342 677 G CA -0.504 44.495 45.100 -0.168 0.000 0.866 677 G HN 1.215 nan 8.290 nan 0.000 0.534 678 H N 0.727 119.746 119.070 -0.084 0.000 2.629 678 H HA 0.452 5.009 4.556 0.001 0.000 0.357 678 H C 1.347 176.615 175.328 -0.101 0.000 1.121 678 H CA 0.665 56.672 56.048 -0.069 0.000 1.406 678 H CB 0.846 30.558 29.762 -0.083 0.000 1.456 678 H HN 0.900 nan 8.280 nan 0.000 0.579 679 T N -1.490 113.090 114.554 0.045 0.000 2.754 679 T HA 0.080 4.431 4.350 0.001 0.000 0.286 679 T C 1.807 176.498 174.700 -0.016 0.000 0.997 679 T CA -0.768 61.327 62.100 -0.008 0.000 0.982 679 T CB 0.450 69.316 68.868 -0.003 0.000 1.027 679 T HN 0.273 nan 8.240 nan 0.000 0.529 680 V N 1.410 121.306 119.914 -0.030 0.000 2.287 680 V HA -0.154 3.967 4.120 0.001 0.000 0.248 680 V C 2.779 178.850 176.094 -0.038 0.000 1.053 680 V CA 2.207 64.484 62.300 -0.038 0.000 1.027 680 V CB -1.225 30.576 31.823 -0.038 0.000 0.646 680 V HN 0.873 nan 8.190 nan 0.000 0.447 681 E N 0.270 120.454 120.200 -0.026 0.000 2.118 681 E HA -0.255 4.096 4.350 0.001 0.000 0.195 681 E C 2.231 178.820 176.600 -0.020 0.000 0.992 681 E CA 1.454 57.841 56.400 -0.023 0.000 0.804 681 E CB -0.320 29.373 29.700 -0.012 0.000 0.741 681 E HN 0.722 nan 8.360 nan 0.000 0.458 682 Q N -0.141 119.657 119.800 -0.003 0.000 2.187 682 Q HA -0.003 4.338 4.340 0.001 0.000 0.199 682 Q C 2.249 178.199 176.000 -0.083 0.000 0.957 682 Q CA 0.774 56.577 55.803 0.001 0.000 0.857 682 Q CB 0.045 28.843 28.738 0.100 0.000 0.929 682 Q HN 0.109 nan 8.270 nan 0.000 0.453 683 V N 1.815 121.671 119.914 -0.096 0.000 2.252 683 V HA -0.323 3.798 4.120 0.001 0.000 0.249 683 V C 2.106 178.094 176.094 -0.176 0.000 1.056 683 V CA 1.975 64.165 62.300 -0.184 0.000 1.022 683 V CB -0.419 31.322 31.823 -0.138 0.000 0.641 683 V HN 0.322 nan 8.190 nan 0.000 0.445 684 K N -0.148 120.184 120.400 -0.113 0.000 2.103 684 K HA -0.159 4.162 4.320 0.001 0.000 0.207 684 K C 2.247 178.801 176.600 -0.077 0.000 1.048 684 K CA 1.481 57.713 56.287 -0.092 0.000 0.930 684 K CB -0.407 32.053 32.500 -0.068 0.000 0.716 684 K HN 0.503 nan 8.250 nan 0.000 0.444 685 A N 1.240 124.022 122.820 -0.063 0.000 1.930 685 A HA -0.121 4.200 4.320 0.001 0.000 0.217 685 A C 2.066 179.629 177.584 -0.036 0.000 1.175 685 A CA 1.219 53.234 52.037 -0.036 0.000 0.627 685 A CB -0.464 18.529 19.000 -0.013 0.000 0.815 685 A HN 0.175 nan 8.150 nan 0.000 0.443 686 I N -0.579 119.939 120.570 -0.087 0.000 2.353 686 I HA -0.181 3.990 4.170 0.001 0.000 0.248 686 I C 2.237 178.327 176.117 -0.045 0.000 1.119 686 I CA 0.746 62.002 61.300 -0.073 0.000 1.417 686 I CB -0.242 37.614 38.000 -0.239 0.000 1.078 686 I HN 0.247 nan 8.210 nan 0.000 0.421 687 L N 0.489 121.650 121.223 -0.104 0.000 2.093 687 L HA -0.176 4.165 4.340 0.001 0.000 0.208 687 L C 2.830 179.694 176.870 -0.009 0.000 1.085 687 L CA 1.224 56.032 54.840 -0.054 0.000 0.755 687 L CB -0.658 41.343 42.059 -0.097 0.000 0.904 687 L HN 0.247 nan 8.230 nan 0.000 0.435 688 A N 0.412 123.220 122.820 -0.021 0.000 1.855 688 A HA -0.233 4.088 4.320 0.001 0.000 0.215 688 A C 2.386 179.977 177.584 0.013 0.000 1.191 688 A CA 1.880 53.911 52.037 -0.009 0.000 0.613 688 A CB -0.462 18.528 19.000 -0.017 0.000 0.829 688 A HN 0.352 nan 8.150 nan 0.000 0.442 689 K N -0.307 120.108 120.400 0.025 0.000 2.365 689 K HA 0.110 4.431 4.320 0.001 0.000 0.199 689 K C 0.420 177.057 176.600 0.061 0.000 1.045 689 K CA 1.135 57.447 56.287 0.042 0.000 0.962 689 K CB -0.395 32.136 32.500 0.051 0.000 0.759 689 K HN 1.064 nan 8.250 nan 0.000 0.469 690 G N 1.483 110.331 108.800 0.080 0.000 2.607 690 G HA2 -0.192 3.768 3.960 0.001 0.000 0.613 690 G HA3 -0.192 3.768 3.960 0.001 0.000 0.613 690 G C -1.404 173.594 174.900 0.163 0.000 1.099 690 G CA -0.416 44.741 45.100 0.096 0.000 1.280 690 G HN 0.304 nan 8.290 nan 0.000 0.573 691 Y N 2.476 122.791 120.300 0.024 0.000 2.393 691 Y HA 0.557 5.108 4.550 0.001 0.000 0.338 691 Y C -0.106 175.831 175.900 0.060 0.000 1.029 691 Y CA -1.128 56.995 58.100 0.038 0.000 1.239 691 Y CB 1.534 39.970 38.460 -0.039 0.000 1.170 691 Y HN 0.356 nan 8.280 nan 0.000 0.515 692 D N 9.615 129.878 120.400 -0.228 0.000 2.477 692 D HA 0.256 4.896 4.640 0.001 0.000 0.239 692 D C -1.854 174.189 176.300 -0.428 0.000 1.102 692 D CA -2.484 51.352 54.000 -0.272 0.000 0.901 692 D CB 1.453 42.227 40.800 -0.043 0.000 1.026 692 D HN 0.349 nan 8.370 nan 0.000 0.515 693 P HA -0.187 nan 4.420 nan 0.000 0.216 693 P C 1.574 178.838 177.300 -0.060 0.000 1.153 693 P CA 0.681 63.486 63.100 -0.491 0.000 0.858 693 P CB 0.451 31.964 31.700 -0.312 0.000 0.789 694 V N 1.048 120.936 119.914 -0.043 0.000 2.392 694 V HA -0.228 3.892 4.120 0.001 0.000 0.249 694 V C 2.840 178.969 176.094 0.060 0.000 1.059 694 V CA 2.036 64.348 62.300 0.020 0.000 1.051 694 V CB -1.326 30.501 31.823 0.006 0.000 0.658 694 V HN 0.160 nan 8.190 nan 0.000 0.455 695 K N -1.158 119.283 120.400 0.067 0.000 2.097 695 K HA -0.227 4.094 4.320 0.001 0.000 0.206 695 K C 1.956 178.590 176.600 0.058 0.000 1.049 695 K CA 1.996 58.309 56.287 0.044 0.000 0.933 695 K CB -0.221 32.290 32.500 0.017 0.000 0.717 695 K HN 0.540 nan 8.250 nan 0.000 0.442 696 W N 1.070 122.364 121.300 -0.010 0.000 2.418 696 W HA 0.012 4.672 4.660 0.001 0.000 0.292 696 W C 2.386 178.921 176.519 0.027 0.000 1.213 696 W CA 1.069 58.443 57.345 0.049 0.000 1.283 696 W CB -0.285 29.241 29.460 0.111 0.000 1.119 696 W HN 0.122 nan 8.180 nan 0.000 0.542 697 R N 0.998 121.649 120.500 0.252 0.000 2.094 697 R HA -0.228 4.113 4.340 0.001 0.000 0.239 697 R C 2.019 178.358 176.300 0.064 0.000 1.137 697 R CA 1.829 57.991 56.100 0.104 0.000 0.943 697 R CB -0.291 30.038 30.300 0.048 0.000 0.850 697 R HN -0.139 nan 8.270 nan 0.000 0.433 698 K N 0.814 121.244 120.400 0.051 0.000 2.103 698 K HA -0.098 4.223 4.320 0.001 0.000 0.207 698 K C 1.871 178.479 176.600 0.013 0.000 1.048 698 K CA 1.293 57.592 56.287 0.020 0.000 0.930 698 K CB -0.123 32.382 32.500 0.008 0.000 0.716 698 K HN 0.210 nan 8.250 nan 0.000 0.444 699 K N 0.961 121.366 120.400 0.008 0.000 2.432 699 K HA -0.021 4.300 4.320 0.001 0.000 0.196 699 K C 0.163 176.783 176.600 0.034 0.000 1.038 699 K CA 0.259 56.539 56.287 -0.012 0.000 0.986 699 K CB 0.067 32.514 32.500 -0.089 0.000 0.782 699 K HN 0.161 nan 8.250 nan 0.000 0.485 700 D N 1.148 121.590 120.400 0.071 0.000 2.414 700 D HA 0.057 4.698 4.640 0.001 0.000 0.232 700 D C 0.743 177.080 176.300 0.061 0.000 1.070 700 D CA -0.090 53.969 54.000 0.100 0.000 0.839 700 D CB 1.474 42.389 40.800 0.190 0.000 1.079 700 D HN -0.128 nan 8.370 nan 0.000 0.521 701 K N 2.529 122.967 120.400 0.063 0.000 2.032 701 K HA -0.124 4.197 4.320 0.001 0.000 0.209 701 K C 1.545 178.170 176.600 0.042 0.000 1.048 701 K CA 1.334 57.647 56.287 0.042 0.000 0.927 701 K CB 0.221 32.745 32.500 0.040 0.000 0.712 701 K HN 0.287 nan 8.250 nan 0.000 0.441 702 V N 1.425 121.390 119.914 0.084 0.000 2.307 702 V HA -0.222 3.898 4.120 0.001 0.000 0.245 702 V C 2.280 178.387 176.094 0.022 0.000 1.045 702 V CA 1.446 63.804 62.300 0.098 0.000 1.024 702 V CB -0.531 31.416 31.823 0.206 0.000 0.651 702 V HN 0.364 nan 8.190 nan 0.000 0.449 703 L N 1.016 122.205 121.223 -0.056 0.000 2.042 703 L HA -0.214 4.127 4.340 0.001 0.000 0.210 703 L C 2.077 178.820 176.870 -0.213 0.000 1.076 703 L CA 2.551 57.143 54.840 -0.413 0.000 0.749 703 L CB -0.935 40.825 42.059 -0.498 0.000 0.893 703 L HN 0.430 nan 8.230 nan 0.000 0.432 704 D N -0.857 119.491 120.400 -0.087 0.000 2.144 704 D HA -0.110 4.531 4.640 0.001 0.000 0.200 704 D C 2.056 178.337 176.300 -0.032 0.000 0.978 704 D CA 1.290 55.262 54.000 -0.047 0.000 0.833 704 D CB 0.057 40.848 40.800 -0.015 0.000 0.961 704 D HN 0.445 nan 8.370 nan 0.000 0.470 705 A N -0.214 122.594 122.820 -0.021 0.000 1.929 705 A HA -0.029 4.292 4.320 0.001 0.000 0.216 705 A C 2.492 180.075 177.584 -0.002 0.000 1.176 705 A CA 1.081 53.113 52.037 -0.008 0.000 0.628 705 A CB -0.707 18.292 19.000 -0.002 0.000 0.816 705 A HN 0.197 nan 8.150 nan 0.000 0.444 706 V N 0.009 119.917 119.914 -0.010 0.000 2.427 706 V HA -0.216 3.905 4.120 0.001 0.000 0.248 706 V C 2.524 178.623 176.094 0.009 0.000 1.051 706 V CA 1.889 64.195 62.300 0.010 0.000 1.048 706 V CB -0.499 31.331 31.823 0.010 0.000 0.666 706 V HN 0.586 nan 8.190 nan 0.000 0.456 707 L N -0.769 120.436 121.223 -0.029 0.000 2.141 707 L HA -0.170 4.171 4.340 0.001 0.000 0.209 707 L C 2.472 179.357 176.870 0.025 0.000 1.094 707 L CA 1.524 56.359 54.840 -0.009 0.000 0.763 707 L CB -0.474 41.566 42.059 -0.032 0.000 0.908 707 L HN 0.243 nan 8.230 nan 0.000 0.437 708 K N -0.161 120.249 120.400 0.016 0.000 2.211 708 K HA -0.162 4.158 4.320 0.001 0.000 0.203 708 K C 1.922 178.542 176.600 0.033 0.000 1.050 708 K CA 1.027 57.326 56.287 0.020 0.000 0.945 708 K CB 0.018 32.521 32.500 0.004 0.000 0.732 708 K HN 0.369 nan 8.250 nan 0.000 0.451 709 E N 0.611 120.843 120.200 0.054 0.000 2.106 709 E HA -0.151 4.200 4.350 0.001 0.000 0.192 709 E C 1.856 178.554 176.600 0.164 0.000 0.984 709 E CA 0.856 57.304 56.400 0.080 0.000 0.806 709 E CB 0.011 29.803 29.700 0.152 0.000 0.750 709 E HN 0.252 nan 8.360 nan 0.000 0.458 710 L N 0.607 121.946 121.223 0.193 0.000 2.291 710 L HA -0.117 4.224 4.340 0.001 0.000 0.214 710 L C 1.925 178.949 176.870 0.258 0.000 1.120 710 L CA 0.867 55.872 54.840 0.276 0.000 0.799 710 L CB -0.044 42.095 42.059 0.134 0.000 0.925 710 L HN 0.072 nan 8.230 nan 0.000 0.446 711 E N -0.673 119.605 120.200 0.129 0.000 2.385 711 E HA -0.088 4.262 4.350 0.001 0.000 0.194 711 E C 2.027 178.638 176.600 0.019 0.000 1.013 711 E CA 0.893 57.336 56.400 0.071 0.000 0.866 711 E CB 0.217 29.943 29.700 0.043 0.000 0.832 711 E HN 0.412 nan 8.360 nan 0.000 0.500 712 S N -1.077 114.633 115.700 0.017 0.000 2.558 712 S HA 0.167 4.637 4.470 0.001 0.000 0.217 712 S C 1.666 176.226 174.600 -0.067 0.000 0.975 712 S CA 0.318 58.497 58.200 -0.035 0.000 0.912 712 S CB 0.531 63.705 63.200 -0.043 0.000 0.776 712 S HN 0.325 nan 8.310 nan 0.000 0.526 713 G N 1.960 110.725 108.800 -0.058 0.000 2.175 713 G HA2 -0.339 3.622 3.960 0.001 0.000 0.244 713 G HA3 -0.339 3.622 3.960 0.001 0.000 0.244 713 G C 0.740 175.585 174.900 -0.091 0.000 0.982 713 G CA 0.447 45.491 45.100 -0.094 0.000 0.641 713 G HN 0.557 nan 8.290 nan 0.000 0.527 714 K N -0.490 119.834 120.400 -0.126 0.000 2.152 714 K HA -0.017 4.304 4.320 0.001 0.000 0.206 714 K C 1.602 177.950 176.600 -0.420 0.000 1.048 714 K CA 1.661 57.767 56.287 -0.300 0.000 0.933 714 K CB -0.166 32.070 32.500 -0.441 0.000 0.721 714 K HN 0.521 nan 8.250 nan 0.000 0.447 715 Y N -0.323 120.020 120.300 0.072 0.000 2.467 715 Y HA 0.137 4.687 4.550 0.001 0.000 0.250 715 Y C 0.802 176.719 175.900 0.028 0.000 1.155 715 Y CA -0.088 58.052 58.100 0.066 0.000 1.249 715 Y CB 0.987 39.503 38.460 0.093 0.000 1.146 715 Y HN 0.058 nan 8.280 nan 0.000 0.524 716 S N -1.139 114.598 115.700 0.061 0.000 2.661 716 S HA 0.188 4.659 4.470 0.001 0.000 0.245 716 S C -0.180 174.389 174.600 -0.052 0.000 1.117 716 S CA -0.286 57.882 58.200 -0.055 0.000 1.091 716 S CB -0.345 62.693 63.200 -0.272 0.000 0.887 716 S HN 0.318 nan 8.310 nan 0.000 0.491 717 D N 1.144 121.524 120.400 -0.033 0.000 2.686 717 D HA -0.161 4.480 4.640 0.001 0.000 0.235 717 D C 1.284 177.552 176.300 -0.054 0.000 1.160 717 D CA 1.720 55.699 54.000 -0.036 0.000 0.645 717 D CB -1.455 39.337 40.800 -0.013 0.000 1.039 717 D HN 1.081 nan 8.370 nan 0.000 0.423 718 G N 0.439 109.195 108.800 -0.074 0.000 2.320 718 G HA2 -0.358 3.603 3.960 0.001 0.000 0.242 718 G HA3 -0.358 3.603 3.960 0.001 0.000 0.242 718 G C 0.110 174.940 174.900 -0.115 0.000 1.033 718 G CA 0.340 45.388 45.100 -0.086 0.000 0.620 718 G HN 0.789 nan 8.290 nan 0.000 0.517 719 D N 1.260 121.589 120.400 -0.119 0.000 2.349 719 D HA 0.321 4.962 4.640 0.001 0.000 0.266 719 D C 1.362 177.529 176.300 -0.221 0.000 1.293 719 D CA 0.135 54.044 54.000 -0.152 0.000 0.926 719 D CB 0.410 41.147 40.800 -0.105 0.000 1.090 719 D HN 0.426 nan 8.370 nan 0.000 0.502 720 K N 2.273 122.491 120.400 -0.303 0.000 2.525 720 K HA -0.040 4.281 4.320 0.001 0.000 0.192 720 K C 0.561 176.979 176.600 -0.304 0.000 1.029 720 K CA 0.398 56.495 56.287 -0.317 0.000 1.029 720 K CB 0.284 32.558 32.500 -0.377 0.000 0.814 720 K HN 0.504 nan 8.250 nan 0.000 0.503 721 H N -1.358 117.643 119.070 -0.115 0.000 2.652 721 H HA 0.248 4.805 4.556 0.001 0.000 0.274 721 H C 1.591 176.830 175.328 -0.149 0.000 1.021 721 H CA 0.172 56.159 56.048 -0.102 0.000 1.187 721 H CB 0.471 30.198 29.762 -0.058 0.000 1.505 721 H HN 0.138 nan 8.280 nan 0.000 0.530 722 A N 0.811 123.498 122.820 -0.221 0.000 1.948 722 A HA -0.182 4.138 4.320 0.001 0.000 0.220 722 A C 0.910 178.323 177.584 -0.285 0.000 1.177 722 A CA 1.455 53.269 52.037 -0.372 0.000 0.636 722 A CB -0.658 17.774 19.000 -0.946 0.000 0.815 722 A HN 0.185 nan 8.150 nan 0.000 0.449 723 F N 0.371 120.391 119.950 0.116 0.000 2.772 723 F HA 0.182 4.710 4.527 0.001 0.000 0.302 723 F C 0.993 176.806 175.800 0.021 0.000 1.136 723 F CA -0.855 57.192 58.000 0.077 0.000 1.322 723 F CB -0.045 38.967 39.000 0.019 0.000 0.967 723 F HN 0.311 nan 8.300 nan 0.000 0.513 724 D N -0.435 120.021 120.400 0.092 0.000 2.178 724 D HA -0.186 4.455 4.640 0.001 0.000 0.202 724 D C 1.620 177.888 176.300 -0.054 0.000 0.974 724 D CA 1.016 54.947 54.000 -0.116 0.000 0.841 724 D CB -0.485 40.083 40.800 -0.386 0.000 0.953 724 D HN 0.336 nan 8.370 nan 0.000 0.478 725 Q N -0.289 119.576 119.800 0.108 0.000 2.077 725 Q HA -0.174 4.166 4.340 0.001 0.000 0.206 725 Q C 2.314 178.408 176.000 0.158 0.000 0.989 725 Q CA 1.617 57.521 55.803 0.168 0.000 0.853 725 Q CB -0.266 28.566 28.738 0.156 0.000 0.907 725 Q HN 0.361 nan 8.270 nan 0.000 0.418 726 M N 0.105 119.791 119.600 0.144 0.000 2.099 726 M HA -0.183 4.298 4.480 0.001 0.000 0.262 726 M C 1.594 177.984 176.300 0.149 0.000 1.067 726 M CA 1.239 56.617 55.300 0.130 0.000 1.124 726 M CB 0.068 32.729 32.600 0.102 0.000 1.353 726 M HN 0.193 nan 8.290 nan 0.000 0.410 727 L N 0.086 121.372 121.223 0.105 0.000 2.046 727 L HA -0.245 4.096 4.340 0.001 0.000 0.208 727 L C 2.596 179.527 176.870 0.102 0.000 1.077 727 L CA 1.825 56.707 54.840 0.069 0.000 0.747 727 L CB -2.123 39.938 42.059 0.004 0.000 0.896 727 L HN 0.388 nan 8.230 nan 0.000 0.432 728 H N -0.485 118.654 119.070 0.115 0.000 2.352 728 H HA -0.100 4.457 4.556 0.001 0.000 0.299 728 H C 2.448 177.838 175.328 0.103 0.000 1.097 728 H CA 1.641 57.745 56.048 0.093 0.000 1.311 728 H CB -0.395 29.415 29.762 0.081 0.000 1.377 728 H HN 0.448 nan 8.280 nan 0.000 0.504 729 S N 0.799 116.653 115.700 0.257 0.000 2.419 729 S HA -0.087 4.383 4.470 0.001 0.000 0.233 729 S C 1.952 176.683 174.600 0.220 0.000 1.016 729 S CA 1.283 59.621 58.200 0.230 0.000 0.974 729 S CB -0.649 62.697 63.200 0.244 0.000 0.786 729 S HN 0.590 nan 8.310 nan 0.000 0.492 730 I N -1.524 119.167 120.570 0.200 0.000 3.956 730 I HA 0.515 4.686 4.170 0.001 0.000 0.333 730 I C 1.017 177.198 176.117 0.106 0.000 1.302 730 I CA -0.430 60.968 61.300 0.163 0.000 1.122 730 I CB -0.327 37.757 38.000 0.141 0.000 1.013 730 I HN 0.263 nan 8.210 nan 0.000 0.405 731 G N 1.142 110.012 108.800 0.116 0.000 2.828 731 G HA2 0.235 4.196 3.960 0.001 0.000 0.244 731 G HA3 0.235 4.196 3.960 0.001 0.000 0.244 731 G C 0.362 175.302 174.900 0.067 0.000 1.365 731 G CA -0.298 44.855 45.100 0.088 0.000 1.041 731 G HN -0.091 nan 8.290 nan 0.000 0.560 732 K N -0.538 119.898 120.400 0.059 0.000 2.097 732 K HA -0.063 4.258 4.320 0.001 0.000 0.205 732 K C 2.692 179.311 176.600 0.032 0.000 1.050 732 K CA 1.508 57.813 56.287 0.029 0.000 0.938 732 K CB -0.359 32.155 32.500 0.024 0.000 0.718 732 K HN 0.394 nan 8.250 nan 0.000 0.442 733 Q N -1.134 118.695 119.800 0.049 0.000 2.077 733 Q HA -0.060 4.281 4.340 0.001 0.000 0.206 733 Q C 2.121 178.132 176.000 0.018 0.000 0.989 733 Q CA 2.009 57.804 55.803 -0.013 0.000 0.853 733 Q CB -0.871 27.779 28.738 -0.147 0.000 0.907 733 Q HN 0.437 nan 8.270 nan 0.000 0.418 734 G N -1.890 106.955 108.800 0.074 0.000 2.662 734 G HA2 0.311 4.271 3.960 0.001 0.000 0.212 734 G HA3 0.311 4.271 3.960 0.001 0.000 0.212 734 G C 0.953 175.898 174.900 0.076 0.000 1.141 734 G CA 0.317 45.470 45.100 0.088 0.000 0.797 734 G HN 0.613 nan 8.290 nan 0.000 0.531 735 G N 0.233 109.072 108.800 0.065 0.000 2.176 735 G HA2 -0.257 3.703 3.960 0.001 0.000 0.253 735 G HA3 -0.257 3.703 3.960 0.001 0.000 0.253 735 G C 0.274 175.238 174.900 0.107 0.000 0.979 735 G CA 0.808 45.938 45.100 0.050 0.000 0.641 735 G HN 1.057 nan 8.290 nan 0.000 0.530 736 D N -0.602 119.884 120.400 0.142 0.000 2.803 736 D HA -0.137 4.504 4.640 0.001 0.000 0.233 736 D C -0.218 176.203 176.300 0.202 0.000 1.182 736 D CA 1.096 55.225 54.000 0.215 0.000 0.726 736 D CB -0.321 40.620 40.800 0.234 0.000 0.987 736 D HN 0.378 nan 8.370 nan 0.000 0.412 737 P HA -0.147 nan 4.420 nan 0.000 0.221 737 P C 0.741 177.809 177.300 -0.387 0.000 1.145 737 P CA 1.227 64.198 63.100 -0.216 0.000 0.795 737 P CB -0.077 31.364 31.700 -0.432 0.000 0.775 738 Y N -1.201 119.150 120.300 0.085 0.000 2.555 738 Y HA 0.314 4.864 4.550 0.001 0.000 0.259 738 Y C 1.037 176.928 175.900 -0.015 0.000 1.179 738 Y CA -0.536 57.600 58.100 0.060 0.000 1.230 738 Y CB -0.378 38.180 38.460 0.163 0.000 1.146 738 Y HN -0.300 nan 8.280 nan 0.000 0.526 739 L N -0.614 120.621 121.223 0.019 0.000 3.677 739 L HA -0.330 4.011 4.340 0.001 0.000 0.464 739 L C 0.866 177.727 176.870 -0.015 0.000 1.278 739 L CA -0.263 54.499 54.840 -0.131 0.000 0.806 739 L CB -2.144 39.676 42.059 -0.398 0.000 1.610 739 L HN 0.140 nan 8.230 nan 0.000 0.867 740 V N -0.602 119.343 119.914 0.053 0.000 2.295 740 V HA -0.296 3.825 4.120 0.001 0.000 0.246 740 V C 2.456 178.600 176.094 0.083 0.000 1.049 740 V CA 2.373 64.681 62.300 0.012 0.000 1.024 740 V CB -0.249 31.496 31.823 -0.130 0.000 0.648 740 V HN 0.537 nan 8.190 nan 0.000 0.447 741 M N 0.215 119.864 119.600 0.081 0.000 2.067 741 M HA -0.112 4.369 4.480 0.001 0.000 0.260 741 M C 2.466 178.796 176.300 0.050 0.000 1.069 741 M CA 2.346 57.707 55.300 0.102 0.000 1.117 741 M CB -1.661 31.003 32.600 0.106 0.000 1.334 741 M HN 0.384 nan 8.290 nan 0.000 0.407 742 A N -0.166 122.472 122.820 -0.303 0.000 2.076 742 A HA -0.173 4.147 4.320 0.001 0.000 0.220 742 A C 1.739 179.323 177.584 -0.001 0.000 1.160 742 A CA 1.893 53.481 52.037 -0.748 0.000 0.653 742 A CB -0.585 17.742 19.000 -1.122 0.000 0.801 742 A HN 0.459 nan 8.150 nan 0.000 0.455 743 D N -2.282 118.199 120.400 0.134 0.000 2.367 743 D HA 0.093 4.734 4.640 0.001 0.000 0.207 743 D C 1.245 177.743 176.300 0.330 0.000 1.034 743 D CA -0.049 54.099 54.000 0.246 0.000 0.861 743 D CB -0.170 40.757 40.800 0.211 0.000 0.943 743 D HN 0.441 nan 8.370 nan 0.000 0.515 744 F N 2.131 122.197 119.950 0.193 0.000 2.161 744 F HA -0.232 4.295 4.527 0.001 0.000 0.300 744 F C 2.057 177.983 175.800 0.209 0.000 1.089 744 F CA 1.684 59.811 58.000 0.211 0.000 1.282 744 F CB 0.091 39.199 39.000 0.179 0.000 1.010 744 F HN -0.041 nan 8.300 nan 0.000 0.485 745 A N 0.114 123.113 122.820 0.298 0.000 1.897 745 A HA 0.065 4.386 4.320 0.001 0.000 0.215 745 A C 2.339 179.944 177.584 0.035 0.000 1.181 745 A CA 1.363 53.500 52.037 0.166 0.000 0.620 745 A CB -1.444 17.733 19.000 0.295 0.000 0.821 745 A HN 0.468 nan 8.150 nan 0.000 0.443 746 A N -1.675 121.216 122.820 0.119 0.000 2.014 746 A HA 0.000 4.321 4.320 0.001 0.000 0.218 746 A C 2.073 179.650 177.584 -0.012 0.000 1.163 746 A CA 1.476 53.583 52.037 0.116 0.000 0.652 746 A CB -0.674 18.462 19.000 0.227 0.000 0.808 746 A HN 0.646 nan 8.150 nan 0.000 0.449 747 Y N 0.819 120.935 120.300 -0.308 0.000 2.114 747 Y HA -0.167 4.384 4.550 0.001 0.000 0.284 747 Y C 2.358 177.808 175.900 -0.751 0.000 1.143 747 Y CA 1.679 59.241 58.100 -0.897 0.000 1.135 747 Y CB -0.742 37.324 38.460 -0.657 0.000 0.980 747 Y HN 0.059 nan 8.280 nan 0.000 0.499 748 V N 0.760 120.268 119.914 -0.676 0.000 2.332 748 V HA -0.295 3.825 4.120 0.001 0.000 0.248 748 V C 2.404 178.249 176.094 -0.415 0.000 1.055 748 V CA 2.281 64.183 62.300 -0.663 0.000 1.038 748 V CB -0.757 30.777 31.823 -0.482 0.000 0.651 748 V HN 0.383 nan 8.190 nan 0.000 0.450 749 E N 0.947 120.990 120.200 -0.262 0.000 2.051 749 E HA -0.195 4.156 4.350 0.001 0.000 0.192 749 E C 2.108 178.612 176.600 -0.160 0.000 0.991 749 E CA 1.869 58.183 56.400 -0.143 0.000 0.799 749 E CB -0.557 29.113 29.700 -0.049 0.000 0.748 749 E HN 0.504 nan 8.360 nan 0.000 0.449 750 A N 0.392 123.089 122.820 -0.206 0.000 1.969 750 A HA -0.166 4.155 4.320 0.001 0.000 0.218 750 A C 2.111 179.490 177.584 -0.342 0.000 1.169 750 A CA 1.401 53.344 52.037 -0.157 0.000 0.635 750 A CB -0.476 18.468 19.000 -0.093 0.000 0.810 750 A HN 0.256 nan 8.150 nan 0.000 0.445 751 Q N -0.160 119.324 119.800 -0.527 0.000 2.291 751 Q HA -0.116 4.225 4.340 0.001 0.000 0.205 751 Q C 1.818 177.625 176.000 -0.322 0.000 0.970 751 Q CA 1.265 56.743 55.803 -0.542 0.000 0.876 751 Q CB -0.196 28.051 28.738 -0.818 0.000 0.935 751 Q HN 0.718 nan 8.270 nan 0.000 0.455 752 K N 0.610 120.868 120.400 -0.237 0.000 2.026 752 K HA -0.165 4.156 4.320 0.001 0.000 0.208 752 K C 2.033 178.589 176.600 -0.073 0.000 1.048 752 K CA 1.317 57.533 56.287 -0.118 0.000 0.929 752 K CB 0.044 32.498 32.500 -0.076 0.000 0.713 752 K HN 0.273 nan 8.250 nan 0.000 0.439 753 Q N 0.215 119.987 119.800 -0.047 0.000 2.364 753 Q HA -0.086 4.255 4.340 0.001 0.000 0.207 753 Q C 1.943 177.974 176.000 0.051 0.000 0.970 753 Q CA 0.704 56.561 55.803 0.091 0.000 0.888 753 Q CB 0.018 28.908 28.738 0.253 0.000 0.951 753 Q HN 0.081 nan 8.270 nan 0.000 0.469 754 V N 1.718 121.449 119.914 -0.305 0.000 2.287 754 V HA -0.289 3.831 4.120 0.001 0.000 0.248 754 V C 1.312 177.408 176.094 0.002 0.000 1.053 754 V CA 2.298 64.405 62.300 -0.322 0.000 1.027 754 V CB -0.512 31.026 31.823 -0.475 0.000 0.646 754 V HN 0.339 nan 8.190 nan 0.000 0.447 755 D N -0.041 120.331 120.400 -0.047 0.000 2.116 755 D HA -0.172 4.468 4.640 0.001 0.000 0.193 755 D C 2.083 178.433 176.300 0.084 0.000 0.998 755 D CA 1.548 55.544 54.000 -0.006 0.000 0.836 755 D CB -0.485 40.298 40.800 -0.027 0.000 0.951 755 D HN 0.284 nan 8.370 nan 0.000 0.449 756 V N 0.427 120.402 119.914 0.101 0.000 2.332 756 V HA -0.209 3.912 4.120 0.001 0.000 0.248 756 V C 2.242 178.448 176.094 0.187 0.000 1.055 756 V CA 1.248 63.622 62.300 0.125 0.000 1.038 756 V CB -0.408 31.486 31.823 0.118 0.000 0.651 756 V HN 0.177 nan 8.190 nan 0.000 0.450 757 L N -1.443 119.967 121.223 0.311 0.000 2.270 757 L HA -0.010 4.330 4.340 0.001 0.000 0.210 757 L C 2.139 179.279 176.870 0.451 0.000 1.104 757 L CA 1.485 56.580 54.840 0.425 0.000 0.804 757 L CB -0.622 41.813 42.059 0.627 0.000 0.937 757 L HN 0.403 nan 8.230 nan 0.000 0.450 758 Y N -0.041 120.339 120.300 0.134 0.000 2.373 758 Y HA -0.126 4.425 4.550 0.001 0.000 0.293 758 Y C 2.458 178.248 175.900 -0.183 0.000 1.129 758 Y CA 1.281 59.192 58.100 -0.315 0.000 1.226 758 Y CB 0.021 38.113 38.460 -0.613 0.000 1.000 758 Y HN 0.120 nan 8.280 nan 0.000 0.549 759 R N -0.458 120.063 120.500 0.035 0.000 2.073 759 R HA -0.099 4.242 4.340 0.001 0.000 0.229 759 R C 0.342 176.617 176.300 -0.042 0.000 1.120 759 R CA 1.162 57.256 56.100 -0.009 0.000 0.967 759 R CB -0.375 29.945 30.300 0.033 0.000 0.862 759 R HN 0.159 nan 8.270 nan 0.000 0.436 760 D N 1.178 121.585 120.400 0.012 0.000 2.470 760 D HA -0.016 4.625 4.640 0.001 0.000 0.226 760 D C 0.818 177.130 176.300 0.020 0.000 1.196 760 D CA 0.067 54.080 54.000 0.021 0.000 0.979 760 D CB 0.817 41.653 40.800 0.059 0.000 1.059 760 D HN -0.076 nan 8.370 nan 0.000 0.515 761 Q N 2.168 121.937 119.800 -0.053 0.000 2.226 761 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 761 Q C 1.451 177.474 176.000 0.037 0.000 0.975 761 Q CA 0.900 56.663 55.803 -0.067 0.000 0.866 761 Q CB 0.103 28.757 28.738 -0.140 0.000 0.915 761 Q HN 0.743 nan 8.270 nan 0.000 0.440 762 E N -0.279 119.940 120.200 0.031 0.000 2.107 762 E HA -0.114 4.237 4.350 0.001 0.000 0.191 762 E C 1.743 178.376 176.600 0.054 0.000 0.982 762 E CA 0.883 57.306 56.400 0.039 0.000 0.809 762 E CB 0.072 29.785 29.700 0.022 0.000 0.756 762 E HN 0.265 nan 8.360 nan 0.000 0.459 763 A N 1.682 124.545 122.820 0.071 0.000 1.929 763 A HA -0.157 4.163 4.320 0.001 0.000 0.216 763 A C 2.000 179.640 177.584 0.093 0.000 1.176 763 A CA 0.965 53.042 52.037 0.067 0.000 0.628 763 A CB -1.141 17.903 19.000 0.073 0.000 0.816 763 A HN 0.690 nan 8.150 nan 0.000 0.444 764 W N 1.287 122.569 121.300 -0.031 0.000 2.329 764 W HA -0.200 4.461 4.660 0.001 0.000 0.324 764 W C 1.982 178.495 176.519 -0.010 0.000 1.222 764 W CA 2.576 59.914 57.345 -0.013 0.000 1.270 764 W CB -0.895 28.509 29.460 -0.094 0.000 1.167 764 W HN 0.372 nan 8.180 nan 0.000 0.467 765 T N 1.536 116.221 114.554 0.217 0.000 2.699 765 T HA -0.259 4.092 4.350 0.001 0.000 0.268 765 T C 1.797 176.438 174.700 -0.099 0.000 1.036 765 T CA 2.303 64.454 62.100 0.084 0.000 1.147 765 T CB -0.424 68.513 68.868 0.115 0.000 0.862 765 T HN 0.241 nan 8.240 nan 0.000 0.446 766 R N 1.381 121.840 120.500 -0.068 0.000 2.091 766 R HA 0.019 4.360 4.340 0.001 0.000 0.238 766 R C 2.850 179.056 176.300 -0.156 0.000 1.136 766 R CA 1.398 57.437 56.100 -0.102 0.000 0.959 766 R CB -0.650 29.610 30.300 -0.066 0.000 0.856 766 R HN 0.403 nan 8.270 nan 0.000 0.437 767 A N 1.655 124.366 122.820 -0.182 0.000 1.930 767 A HA -0.042 4.279 4.320 0.001 0.000 0.217 767 A C 2.444 179.874 177.584 -0.256 0.000 1.175 767 A CA 1.563 53.456 52.037 -0.239 0.000 0.627 767 A CB -0.526 18.284 19.000 -0.318 0.000 0.815 767 A HN 0.397 nan 8.150 nan 0.000 0.443 768 A N -0.225 122.424 122.820 -0.284 0.000 1.930 768 A HA -0.013 4.308 4.320 0.001 0.000 0.217 768 A C 2.050 179.554 177.584 -0.132 0.000 1.175 768 A CA 1.357 53.305 52.037 -0.148 0.000 0.627 768 A CB -0.559 18.457 19.000 0.025 0.000 0.815 768 A HN 0.466 nan 8.150 nan 0.000 0.443 769 I N -0.249 120.093 120.570 -0.380 0.000 2.454 769 I HA -0.223 3.947 4.170 0.001 0.000 0.254 769 I C 1.998 178.027 176.117 -0.147 0.000 1.156 769 I CA 0.911 61.955 61.300 -0.426 0.000 1.433 769 I CB -0.086 37.639 38.000 -0.459 0.000 1.082 769 I HN 0.292 nan 8.210 nan 0.000 0.432 770 L N -0.218 120.928 121.223 -0.128 0.000 2.418 770 L HA -0.054 4.287 4.340 0.001 0.000 0.218 770 L C 2.045 178.884 176.870 -0.051 0.000 1.125 770 L CA 0.634 55.424 54.840 -0.083 0.000 0.835 770 L CB -0.531 41.469 42.059 -0.097 0.000 0.953 770 L HN 0.330 nan 8.230 nan 0.000 0.454 771 N N -0.502 118.167 118.700 -0.051 0.000 2.171 771 N HA -0.120 4.621 4.740 0.001 0.000 0.184 771 N C 1.653 177.179 175.510 0.026 0.000 1.021 771 N CA 1.638 54.677 53.050 -0.019 0.000 0.854 771 N CB 0.069 38.535 38.487 -0.034 0.000 0.994 771 N HN 0.225 nan 8.380 nan 0.000 0.426 772 T N 1.359 115.943 114.554 0.050 0.000 2.674 772 T HA -0.098 4.253 4.350 0.001 0.000 0.265 772 T C 2.046 176.774 174.700 0.047 0.000 1.039 772 T CA 1.394 63.539 62.100 0.074 0.000 1.150 772 T CB -0.287 68.669 68.868 0.147 0.000 0.864 772 T HN 0.306 nan 8.240 nan 0.000 0.427 773 A N 1.258 124.092 122.820 0.023 0.000 1.972 773 A HA -0.047 4.274 4.320 0.001 0.000 0.219 773 A C 2.182 179.781 177.584 0.025 0.000 1.169 773 A CA 1.213 53.257 52.037 0.012 0.000 0.635 773 A CB -0.310 18.683 19.000 -0.011 0.000 0.810 773 A HN 0.434 nan 8.150 nan 0.000 0.446 774 R N -2.082 118.437 120.500 0.033 0.000 2.393 774 R HA 0.188 4.529 4.340 0.001 0.000 0.244 774 R C 0.295 176.657 176.300 0.104 0.000 0.920 774 R CA 0.069 56.197 56.100 0.046 0.000 1.076 774 R CB -0.032 30.284 30.300 0.026 0.000 1.119 774 R HN 0.436 nan 8.270 nan 0.000 0.524 775 C N 0.186 119.570 119.300 0.140 0.000 2.778 775 C HA 0.219 4.680 4.460 0.001 0.000 0.294 775 C C 2.096 177.238 174.990 0.253 0.000 1.331 775 C CA -0.522 58.666 59.018 0.282 0.000 1.741 775 C CB -0.367 27.516 27.740 0.240 0.000 2.106 775 C HN 0.674 nan 8.230 nan 0.000 0.603 776 G N 1.771 110.646 108.800 0.125 0.000 2.501 776 G HA2 -0.267 3.694 3.960 0.001 0.000 0.220 776 G HA3 -0.267 3.694 3.960 0.001 0.000 0.220 776 G C 1.523 176.436 174.900 0.023 0.000 1.114 776 G CA 1.177 46.331 45.100 0.091 0.000 0.757 776 G HN 0.714 nan 8.290 nan 0.000 0.559 777 M N -2.028 117.509 119.600 -0.106 0.000 2.562 777 M HA 0.381 4.862 4.480 0.001 0.000 0.257 777 M C 1.016 177.068 176.300 -0.414 0.000 1.099 777 M CA 0.935 56.057 55.300 -0.297 0.000 1.099 777 M CB -0.103 32.224 32.600 -0.454 0.000 1.427 777 M HN -0.018 nan 8.290 nan 0.000 0.489 778 F N 0.990 120.973 119.950 0.055 0.000 2.692 778 F HA 0.339 4.866 4.527 0.001 0.000 0.303 778 F C 1.241 177.097 175.800 0.094 0.000 1.114 778 F CA -0.468 57.573 58.000 0.067 0.000 1.361 778 F CB -0.361 38.669 39.000 0.050 0.000 1.063 778 F HN 0.138 nan 8.300 nan 0.000 0.550 779 S N 0.054 115.854 115.700 0.167 0.000 2.549 779 S HA 0.066 4.537 4.470 0.001 0.000 0.279 779 S C 1.530 176.225 174.600 0.159 0.000 1.321 779 S CA 0.068 58.364 58.200 0.159 0.000 1.054 779 S CB 0.710 63.973 63.200 0.106 0.000 0.899 779 S HN 0.371 nan 8.310 nan 0.000 0.497 780 S N 3.261 119.085 115.700 0.208 0.000 2.453 780 S HA -0.081 4.389 4.470 0.001 0.000 0.231 780 S C 1.062 175.723 174.600 0.102 0.000 1.005 780 S CA 0.763 59.117 58.200 0.256 0.000 0.949 780 S CB -0.379 63.066 63.200 0.409 0.000 0.774 780 S HN 0.789 nan 8.310 nan 0.000 0.510 781 D N 1.872 122.314 120.400 0.070 0.000 2.123 781 D HA -0.098 4.543 4.640 0.001 0.000 0.196 781 D C 2.087 178.384 176.300 -0.005 0.000 0.992 781 D CA 0.875 54.887 54.000 0.021 0.000 0.833 781 D CB -0.338 40.471 40.800 0.015 0.000 0.954 781 D HN 0.279 nan 8.370 nan 0.000 0.455 782 R N 0.950 121.451 120.500 0.001 0.000 2.092 782 R HA -0.025 4.316 4.340 0.001 0.000 0.231 782 R C 2.025 178.291 176.300 -0.055 0.000 1.119 782 R CA 0.746 56.827 56.100 -0.032 0.000 0.970 782 R CB -0.272 30.001 30.300 -0.045 0.000 0.864 782 R HN 0.038 nan 8.270 nan 0.000 0.440 783 S N 1.201 116.884 115.700 -0.028 0.000 2.359 783 S HA -0.107 4.364 4.470 0.001 0.000 0.224 783 S C 1.975 176.490 174.600 -0.141 0.000 1.035 783 S CA 1.174 59.335 58.200 -0.065 0.000 1.018 783 S CB -0.150 63.051 63.200 0.002 0.000 0.876 783 S HN 0.221 nan 8.310 nan 0.000 0.448 784 I N 1.411 121.873 120.570 -0.181 0.000 2.226 784 I HA -0.078 4.092 4.170 0.001 0.000 0.245 784 I C 2.390 178.455 176.117 -0.087 0.000 1.100 784 I CA 1.272 62.483 61.300 -0.147 0.000 1.374 784 I CB -1.147 36.811 38.000 -0.070 0.000 1.057 784 I HN 0.141 nan 8.210 nan 0.000 0.413 785 R N 1.275 121.734 120.500 -0.068 0.000 2.096 785 R HA -0.145 4.195 4.340 0.001 0.000 0.235 785 R C 1.794 178.025 176.300 -0.116 0.000 1.127 785 R CA 1.104 57.169 56.100 -0.059 0.000 0.968 785 R CB -0.895 29.378 30.300 -0.046 0.000 0.861 785 R HN 0.367 nan 8.270 nan 0.000 0.440 786 D N -1.010 119.288 120.400 -0.168 0.000 2.117 786 D HA -0.137 4.504 4.640 0.001 0.000 0.198 786 D C 1.772 177.838 176.300 -0.390 0.000 0.982 786 D CA 1.116 54.967 54.000 -0.248 0.000 0.828 786 D CB -0.285 40.348 40.800 -0.278 0.000 0.967 786 D HN 0.230 nan 8.370 nan 0.000 0.464 787 Y N 1.395 121.367 120.300 -0.546 0.000 2.181 787 Y HA -0.169 4.382 4.550 0.001 0.000 0.288 787 Y C 2.593 178.051 175.900 -0.736 0.000 1.146 787 Y CA 1.241 58.760 58.100 -0.968 0.000 1.164 787 Y CB -0.289 36.988 38.460 -1.972 0.000 0.982 787 Y HN 0.026 nan 8.280 nan 0.000 0.515 788 Q N -0.424 119.238 119.800 -0.230 0.000 2.002 788 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 788 Q C 2.624 178.605 176.000 -0.031 0.000 0.988 788 Q CA 1.620 57.433 55.803 0.016 0.000 0.843 788 Q CB -0.527 28.270 28.738 0.098 0.000 0.908 788 Q HN 0.511 nan 8.270 nan 0.000 0.420 789 A N 1.330 124.109 122.820 -0.068 0.000 1.883 789 A HA -0.216 4.104 4.320 0.001 0.000 0.217 789 A C 1.979 179.531 177.584 -0.053 0.000 1.186 789 A CA 1.707 53.716 52.037 -0.046 0.000 0.624 789 A CB -0.408 18.562 19.000 -0.049 0.000 0.822 789 A HN 0.248 nan 8.150 nan 0.000 0.444 790 R N -1.678 118.744 120.500 -0.130 0.000 2.246 790 R HA 0.380 4.721 4.340 0.001 0.000 0.199 790 R C 1.015 177.194 176.300 -0.202 0.000 0.984 790 R CA 1.056 57.077 56.100 -0.133 0.000 1.015 790 R CB 0.060 30.252 30.300 -0.180 0.000 0.930 790 R HN 0.587 nan 8.270 nan 0.000 0.475 791 I N -2.803 117.661 120.570 -0.175 0.000 3.663 791 I HA 0.010 4.181 4.170 0.001 0.000 0.263 791 I C 1.115 177.386 176.117 0.258 0.000 1.104 791 I CA -0.252 61.035 61.300 -0.023 0.000 1.426 791 I CB -0.234 37.619 38.000 -0.245 0.000 1.771 791 I HN -0.003 nan 8.210 nan 0.000 0.402 792 W N 2.390 123.781 121.300 0.152 0.000 2.358 792 W HA -0.077 4.584 4.660 0.001 0.000 0.303 792 W C 1.727 178.279 176.519 0.056 0.000 1.208 792 W CA 0.811 58.231 57.345 0.125 0.000 1.274 792 W CB -0.797 28.723 29.460 0.100 0.000 1.138 792 W HN 0.242 nan 8.180 nan 0.000 0.515 793 Q N -1.101 118.828 119.800 0.216 0.000 2.155 793 Q HA 0.385 4.726 4.340 0.001 0.000 0.220 793 Q C 0.452 176.483 176.000 0.053 0.000 0.819 793 Q CA -0.026 55.845 55.803 0.114 0.000 1.032 793 Q CB 0.115 28.914 28.738 0.101 0.000 1.151 793 Q HN 0.006 nan 8.270 nan 0.000 0.487 794 A N 1.218 124.072 122.820 0.056 0.000 2.272 794 A HA 0.424 4.745 4.320 0.001 0.000 0.275 794 A C 0.121 177.697 177.584 -0.013 0.000 1.096 794 A CA -0.376 51.680 52.037 0.031 0.000 0.822 794 A CB 0.492 19.529 19.000 0.061 0.000 1.088 794 A HN 0.076 nan 8.150 nan 0.000 0.495 795 K N 0.847 121.241 120.400 -0.010 0.000 2.297 795 K HA 0.248 4.569 4.320 0.001 0.000 0.286 795 K C 0.158 176.726 176.600 -0.053 0.000 1.053 795 K CA -0.107 56.160 56.287 -0.034 0.000 0.940 795 K CB 0.437 32.932 32.500 -0.009 0.000 1.019 795 K HN 0.646 nan 8.250 nan 0.000 0.475 796 R N 0.000 120.432 120.500 -0.114 0.000 2.786 796 R HA 0.000 4.341 4.340 0.001 0.000 0.208 796 R CA 0.000 56.007 56.100 -0.156 0.000 0.921 796 R CB 0.000 30.134 30.300 -0.276 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535