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 2xvv_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKEEQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.306 175.328 -0.037 0.000 0.993 3 H CA 0.000 55.992 56.048 -0.093 0.000 1.023 3 H CB 0.000 29.723 29.762 -0.065 0.000 1.292 4 K N 0.441 120.832 120.400 -0.016 0.000 2.209 4 K HA 0.139 4.460 4.320 0.001 0.000 0.204 4 K C 0.836 177.445 176.600 0.016 0.000 1.048 4 K CA 1.835 58.123 56.287 0.001 0.000 0.940 4 K CB -0.566 31.934 32.500 0.000 0.000 0.729 4 K HN 1.144 nan 8.250 nan 0.000 0.451 5 S N -0.097 115.614 115.700 0.018 0.000 2.756 5 S HA 0.364 4.835 4.470 0.001 0.000 0.303 5 S C 0.120 174.766 174.600 0.076 0.000 1.135 5 S CA -0.650 57.572 58.200 0.036 0.000 1.066 5 S CB 1.607 64.806 63.200 -0.002 0.000 1.008 5 S HN 0.399 nan 8.310 nan 0.000 0.482 6 E N 3.075 123.337 120.200 0.103 0.000 2.077 6 E HA -0.070 4.281 4.350 0.001 0.000 0.193 6 E C 1.753 178.465 176.600 0.187 0.000 0.989 6 E CA 1.374 57.867 56.400 0.154 0.000 0.800 6 E CB -0.156 29.631 29.700 0.144 0.000 0.746 6 E HN 0.503 nan 8.360 nan 0.000 0.452 7 V N -0.231 119.778 119.914 0.158 0.000 2.667 7 V HA -0.102 4.018 4.120 0.001 0.000 0.252 7 V C 1.897 178.029 176.094 0.062 0.000 1.065 7 V CA 1.730 64.135 62.300 0.175 0.000 1.083 7 V CB -0.246 31.712 31.823 0.225 0.000 0.692 7 V HN 0.390 nan 8.190 nan 0.000 0.468 8 A N -1.063 121.760 122.820 0.004 0.000 1.930 8 A HA -0.202 4.119 4.320 0.001 0.000 0.215 8 A C 2.023 179.650 177.584 0.070 0.000 1.176 8 A CA 1.727 53.734 52.037 -0.051 0.000 0.632 8 A CB -0.810 18.144 19.000 -0.076 0.000 0.819 8 A HN 0.788 nan 8.150 nan 0.000 0.445 9 H N -0.126 118.961 119.070 0.028 0.000 2.357 9 H HA -0.015 4.541 4.556 0.001 0.000 0.301 9 H C 2.114 177.488 175.328 0.076 0.000 1.082 9 H CA 1.716 57.793 56.048 0.048 0.000 1.342 9 H CB 0.058 29.850 29.762 0.049 0.000 1.389 9 H HN 0.205 nan 8.280 nan 0.000 0.511 10 R N -0.386 120.139 120.500 0.043 0.000 2.115 10 R HA -0.106 4.235 4.340 0.001 0.000 0.230 10 R C 2.272 178.595 176.300 0.040 0.000 1.111 10 R CA 1.057 57.181 56.100 0.040 0.000 0.976 10 R CB -1.346 29.088 30.300 0.224 0.000 0.870 10 R HN 0.393 nan 8.270 nan 0.000 0.445 11 F N 2.116 121.936 119.950 -0.217 0.000 2.113 11 F HA -0.145 4.383 4.527 0.001 0.000 0.297 11 F C 1.988 177.651 175.800 -0.228 0.000 1.103 11 F CA 1.560 59.299 58.000 -0.435 0.000 1.248 11 F CB 0.079 38.691 39.000 -0.646 0.000 0.999 11 F HN -0.102 nan 8.300 nan 0.000 0.475 12 K N -0.120 120.306 120.400 0.043 0.000 2.057 12 K HA -0.168 4.153 4.320 0.001 0.000 0.207 12 K C 1.771 178.308 176.600 -0.105 0.000 1.049 12 K CA 1.560 57.840 56.287 -0.011 0.000 0.931 12 K CB -0.410 32.104 32.500 0.023 0.000 0.714 12 K HN 0.245 nan 8.250 nan 0.000 0.440 13 D N 0.963 121.265 120.400 -0.163 0.000 2.092 13 D HA -0.140 4.501 4.640 0.001 0.000 0.193 13 D C 1.924 178.165 176.300 -0.097 0.000 0.994 13 D CA 1.114 55.026 54.000 -0.146 0.000 0.828 13 D CB -0.102 40.578 40.800 -0.201 0.000 0.963 13 D HN -0.028 nan 8.370 nan 0.000 0.450 14 L N -0.202 120.962 121.223 -0.098 0.000 2.056 14 L HA 0.134 4.475 4.340 0.001 0.000 0.207 14 L C 1.342 178.127 176.870 -0.142 0.000 1.078 14 L CA 1.322 56.118 54.840 -0.073 0.000 0.749 14 L CB -1.141 40.930 42.059 0.020 0.000 0.901 14 L HN 0.220 nan 8.230 nan 0.000 0.433 15 G N -1.004 107.612 108.800 -0.307 0.000 2.712 15 G HA2 -0.203 3.757 3.960 0.001 0.000 0.686 15 G HA3 -0.203 3.757 3.960 0.001 0.000 0.686 15 G C 0.504 175.093 174.900 -0.518 0.000 1.181 15 G CA 0.080 44.970 45.100 -0.350 0.000 0.762 15 G HN 0.225 nan 8.290 nan 0.000 0.641 16 E N 0.098 119.938 120.200 -0.600 0.000 2.058 16 E HA -0.197 4.154 4.350 0.001 0.000 0.194 16 E C 2.154 178.697 176.600 -0.096 0.000 0.997 16 E CA 1.780 57.906 56.400 -0.457 0.000 0.801 16 E CB -0.038 29.593 29.700 -0.116 0.000 0.746 16 E HN 0.547 nan 8.360 nan 0.000 0.450 17 E N 0.766 120.932 120.200 -0.057 0.000 2.049 17 E HA -0.203 4.147 4.350 0.001 0.000 0.198 17 E C 1.881 178.493 176.600 0.019 0.000 1.007 17 E CA 1.093 57.497 56.400 0.007 0.000 0.809 17 E CB -0.522 29.184 29.700 0.011 0.000 0.749 17 E HN 0.342 nan 8.360 nan 0.000 0.450 18 N N 0.174 118.872 118.700 -0.003 0.000 2.188 18 N HA -0.126 4.615 4.740 0.001 0.000 0.184 18 N C 1.774 177.296 175.510 0.020 0.000 1.018 18 N CA 0.511 53.563 53.050 0.002 0.000 0.858 18 N CB -0.513 37.972 38.487 -0.004 0.000 0.989 18 N HN 0.111 nan 8.380 nan 0.000 0.426 19 F N 2.275 122.145 119.950 -0.135 0.000 2.069 19 F HA -0.168 4.360 4.527 0.001 0.000 0.298 19 F C 2.106 177.903 175.800 -0.004 0.000 1.113 19 F CA 1.583 59.531 58.000 -0.087 0.000 1.214 19 F CB -0.043 38.869 39.000 -0.148 0.000 0.978 19 F HN -0.094 nan 8.300 nan 0.000 0.474 20 K N 0.029 120.522 120.400 0.154 0.000 2.057 20 K HA -0.127 4.194 4.320 0.001 0.000 0.207 20 K C 2.292 178.892 176.600 0.000 0.000 1.049 20 K CA 1.285 57.625 56.287 0.088 0.000 0.931 20 K CB -0.568 32.017 32.500 0.141 0.000 0.714 20 K HN 0.348 nan 8.250 nan 0.000 0.440 21 A N 1.247 124.065 122.820 -0.003 0.000 1.873 21 A HA -0.113 4.207 4.320 0.001 0.000 0.215 21 A C 2.131 179.670 177.584 -0.075 0.000 1.186 21 A CA 1.194 53.221 52.037 -0.015 0.000 0.616 21 A CB -0.637 18.358 19.000 -0.007 0.000 0.823 21 A HN 0.152 nan 8.150 nan 0.000 0.442 22 L N -0.552 120.588 121.223 -0.139 0.000 2.046 22 L HA -0.164 4.177 4.340 0.001 0.000 0.208 22 L C 2.543 179.270 176.870 -0.239 0.000 1.077 22 L CA 1.064 55.777 54.840 -0.212 0.000 0.747 22 L CB -0.500 41.408 42.059 -0.252 0.000 0.896 22 L HN 0.253 nan 8.230 nan 0.000 0.432 23 V N -0.152 119.596 119.914 -0.278 0.000 2.343 23 V HA -0.289 3.832 4.120 0.001 0.000 0.247 23 V C 2.368 178.485 176.094 0.038 0.000 1.051 23 V CA 1.599 63.778 62.300 -0.201 0.000 1.036 23 V CB -0.377 31.329 31.823 -0.194 0.000 0.654 23 V HN 0.326 nan 8.190 nan 0.000 0.451 24 L N 0.228 121.477 121.223 0.043 0.000 1.989 24 L HA -0.180 4.161 4.340 0.001 0.000 0.211 24 L C 2.196 179.096 176.870 0.050 0.000 1.071 24 L CA 2.044 56.938 54.840 0.089 0.000 0.749 24 L CB -0.633 41.461 42.059 0.058 0.000 0.890 24 L HN 0.236 nan 8.230 nan 0.000 0.431 25 I N -0.234 120.326 120.570 -0.016 0.000 2.163 25 I HA -0.347 3.824 4.170 0.001 0.000 0.243 25 I C 2.640 178.727 176.117 -0.050 0.000 1.085 25 I CA 1.409 62.681 61.300 -0.047 0.000 1.347 25 I CB -0.770 37.174 38.000 -0.094 0.000 1.044 25 I HN 0.415 nan 8.210 nan 0.000 0.408 26 A N 0.621 123.379 122.820 -0.102 0.000 1.883 26 A HA -0.233 4.088 4.320 0.001 0.000 0.217 26 A C 2.110 179.733 177.584 0.064 0.000 1.186 26 A CA 1.781 53.741 52.037 -0.128 0.000 0.624 26 A CB -0.996 17.756 19.000 -0.413 0.000 0.822 26 A HN 0.346 nan 8.150 nan 0.000 0.444 27 F N -0.087 119.942 119.950 0.131 0.000 2.206 27 F HA 0.018 4.546 4.527 0.002 0.000 0.298 27 F C 2.755 178.576 175.800 0.033 0.000 1.090 27 F CA 0.687 58.782 58.000 0.158 0.000 1.323 27 F CB -0.578 38.530 39.000 0.181 0.000 1.028 27 F HN 0.252 nan 8.300 nan 0.000 0.492 28 A N -0.529 122.266 122.820 -0.042 0.000 1.972 28 A HA -0.201 4.120 4.320 0.001 0.000 0.219 28 A C 2.077 179.651 177.584 -0.017 0.000 1.169 28 A CA 1.410 53.328 52.037 -0.198 0.000 0.635 28 A CB -0.656 18.248 19.000 -0.160 0.000 0.810 28 A HN 0.471 nan 8.150 nan 0.000 0.446 29 Q N -2.138 117.679 119.800 0.029 0.000 2.311 29 Q HA -0.102 4.239 4.340 0.001 0.000 0.203 29 Q C 1.406 177.363 176.000 -0.071 0.000 0.954 29 Q CA 1.258 57.026 55.803 -0.059 0.000 0.885 29 Q CB -0.121 28.533 28.738 -0.140 0.000 0.963 29 Q HN 0.869 nan 8.270 nan 0.000 0.471 30 Y N -0.548 119.739 120.300 -0.022 0.000 2.353 30 Y HA 0.054 4.605 4.550 0.002 0.000 0.294 30 Y C 0.703 176.544 175.900 -0.097 0.000 1.135 30 Y CA 0.152 58.221 58.100 -0.052 0.000 1.176 30 Y CB 0.521 38.941 38.460 -0.066 0.000 1.124 30 Y HN -0.036 nan 8.280 nan 0.000 0.537 31 L N 1.659 122.988 121.223 0.176 0.000 2.598 31 L HA 0.202 4.542 4.340 0.001 0.000 0.241 31 L C 1.030 178.109 176.870 0.349 0.000 1.244 31 L CA 0.253 55.140 54.840 0.079 0.000 1.198 31 L CB 0.021 42.183 42.059 0.171 0.000 1.448 31 L HN 0.226 nan 8.230 nan 0.000 0.406 32 Q N -0.349 119.604 119.800 0.254 0.000 2.297 32 Q HA -0.179 4.161 4.340 0.001 0.000 0.208 32 Q C 1.071 177.229 176.000 0.263 0.000 0.981 32 Q CA 1.082 57.009 55.803 0.206 0.000 0.876 32 Q CB 0.156 28.960 28.738 0.110 0.000 0.921 32 Q HN 0.585 nan 8.270 nan 0.000 0.446 33 Q N -0.839 119.209 119.800 0.413 0.000 2.384 33 Q HA 0.084 4.424 4.340 0.001 0.000 0.207 33 Q C 0.496 176.632 176.000 0.226 0.000 0.904 33 Q CA 0.118 56.057 55.803 0.227 0.000 0.933 33 Q CB 0.432 29.170 28.738 0.000 0.000 1.077 33 Q HN 0.291 nan 8.270 nan 0.000 0.522 34 C N 3.722 123.242 119.300 0.366 0.000 2.657 34 C HA 0.261 4.722 4.460 0.001 0.000 0.404 34 C C -1.641 173.499 174.990 0.249 0.000 1.291 34 C CA -0.872 58.253 59.018 0.177 0.000 2.218 34 C CB 0.484 28.190 27.740 -0.057 0.000 2.687 34 C HN 0.281 nan 8.230 nan 0.000 0.634 35 P HA 0.102 nan 4.420 nan 0.000 0.276 35 P C 0.542 177.827 177.300 -0.026 0.000 1.244 35 P CA -0.200 62.968 63.100 0.113 0.000 0.801 35 P CB 0.472 32.190 31.700 0.029 0.000 1.006 36 F N 2.127 121.814 119.950 -0.438 0.000 2.065 36 F HA -0.263 4.264 4.527 0.001 0.000 0.298 36 F C 1.847 177.456 175.800 -0.319 0.000 1.112 36 F CA 2.186 59.759 58.000 -0.710 0.000 1.212 36 F CB -0.792 37.774 39.000 -0.724 0.000 0.975 36 F HN 0.293 nan 8.300 nan 0.000 0.476 37 E N 0.108 120.166 120.200 -0.236 0.000 2.160 37 E HA -0.202 4.148 4.350 0.001 0.000 0.195 37 E C 1.723 178.151 176.600 -0.288 0.000 0.991 37 E CA 1.607 57.846 56.400 -0.269 0.000 0.810 37 E CB -0.570 29.061 29.700 -0.115 0.000 0.742 37 E HN 0.472 nan 8.360 nan 0.000 0.466 38 D N -0.508 119.732 120.400 -0.266 0.000 2.117 38 D HA -0.106 4.535 4.640 0.001 0.000 0.198 38 D C 1.684 177.754 176.300 -0.383 0.000 0.982 38 D CA 0.961 54.781 54.000 -0.300 0.000 0.828 38 D CB -0.076 40.540 40.800 -0.306 0.000 0.967 38 D HN 0.274 nan 8.370 nan 0.000 0.464 39 H N -0.273 118.605 119.070 -0.320 0.000 2.395 39 H HA 0.030 4.587 4.556 0.001 0.000 0.299 39 H C 2.144 177.244 175.328 -0.380 0.000 1.070 39 H CA 0.564 56.416 56.048 -0.326 0.000 1.356 39 H CB -0.166 29.469 29.762 -0.212 0.000 1.401 39 H HN 0.041 nan 8.280 nan 0.000 0.524 40 V N 0.887 120.560 119.914 -0.402 0.000 2.594 40 V HA -0.213 3.908 4.120 0.001 0.000 0.253 40 V C 2.482 178.434 176.094 -0.237 0.000 1.069 40 V CA 1.577 63.645 62.300 -0.387 0.000 1.082 40 V CB -0.315 31.183 31.823 -0.541 0.000 0.680 40 V HN 0.240 nan 8.190 nan 0.000 0.469 41 K N -0.501 119.755 120.400 -0.240 0.000 2.076 41 K HA 0.115 4.436 4.320 0.001 0.000 0.204 41 K C 2.049 178.536 176.600 -0.189 0.000 1.051 41 K CA 0.865 57.041 56.287 -0.185 0.000 0.949 41 K CB -0.493 31.899 32.500 -0.181 0.000 0.726 41 K HN 0.530 nan 8.250 nan 0.000 0.443 42 L N 0.359 121.412 121.223 -0.283 0.000 2.042 42 L HA -0.182 4.159 4.340 0.001 0.000 0.210 42 L C 2.392 179.154 176.870 -0.180 0.000 1.076 42 L CA 1.228 55.843 54.840 -0.375 0.000 0.749 42 L CB -0.841 40.721 42.059 -0.827 0.000 0.893 42 L HN 0.067 nan 8.230 nan 0.000 0.432 43 V N 0.326 120.179 119.914 -0.102 0.000 2.233 43 V HA -0.316 3.805 4.120 0.001 0.000 0.247 43 V C 2.296 178.435 176.094 0.075 0.000 1.050 43 V CA 2.133 64.459 62.300 0.042 0.000 1.010 43 V CB -0.730 31.104 31.823 0.019 0.000 0.637 43 V HN 0.509 nan 8.190 nan 0.000 0.444 44 N N 0.130 118.841 118.700 0.018 0.000 2.104 44 N HA -0.202 4.539 4.740 0.001 0.000 0.190 44 N C 1.819 177.367 175.510 0.064 0.000 1.024 44 N CA 1.687 54.762 53.050 0.042 0.000 0.853 44 N CB -0.352 38.132 38.487 -0.005 0.000 1.008 44 N HN 0.629 nan 8.380 nan 0.000 0.424 45 E N 0.125 120.342 120.200 0.028 0.000 2.150 45 E HA -0.056 4.295 4.350 0.001 0.000 0.193 45 E C 1.892 178.575 176.600 0.137 0.000 0.985 45 E CA 0.567 56.994 56.400 0.045 0.000 0.814 45 E CB 0.157 29.840 29.700 -0.027 0.000 0.752 45 E HN 0.093 nan 8.360 nan 0.000 0.466 46 V N 0.794 120.820 119.914 0.188 0.000 2.407 46 V HA -0.185 3.936 4.120 0.001 0.000 0.245 46 V C 2.209 178.568 176.094 0.441 0.000 1.041 46 V CA 1.858 64.363 62.300 0.341 0.000 1.040 46 V CB -0.444 31.600 31.823 0.367 0.000 0.671 46 V HN 0.305 nan 8.190 nan 0.000 0.455 47 T N -0.316 114.472 114.554 0.390 0.000 2.674 47 T HA -0.205 4.145 4.350 0.001 0.000 0.265 47 T C 2.026 176.804 174.700 0.130 0.000 1.039 47 T CA 1.797 64.127 62.100 0.383 0.000 1.150 47 T CB -0.236 68.846 68.868 0.356 0.000 0.864 47 T HN 0.500 nan 8.240 nan 0.000 0.427 48 E N 0.581 120.851 120.200 0.117 0.000 2.085 48 E HA -0.121 4.230 4.350 0.001 0.000 0.194 48 E C 1.752 178.368 176.600 0.027 0.000 0.994 48 E CA 1.051 57.476 56.400 0.042 0.000 0.801 48 E CB -0.691 29.044 29.700 0.060 0.000 0.743 48 E HN 0.681 nan 8.360 nan 0.000 0.453 49 F N 1.213 121.152 119.950 -0.018 0.000 2.102 49 F HA -0.101 4.427 4.527 0.001 0.000 0.298 49 F C 2.372 178.120 175.800 -0.087 0.000 1.105 49 F CA 1.522 59.506 58.000 -0.026 0.000 1.239 49 F CB -0.921 38.094 39.000 0.027 0.000 0.991 49 F HN 0.164 nan 8.300 nan 0.000 0.474 50 A N 0.501 123.141 122.820 -0.299 0.000 1.908 50 A HA -0.244 4.076 4.320 0.001 0.000 0.218 50 A C 2.281 179.402 177.584 -0.771 0.000 1.181 50 A CA 2.053 53.744 52.037 -0.577 0.000 0.627 50 A CB -0.816 17.869 19.000 -0.524 0.000 0.818 50 A HN 0.500 nan 8.150 nan 0.000 0.445 51 K N -1.104 118.865 120.400 -0.720 0.000 2.147 51 K HA -0.101 4.220 4.320 0.001 0.000 0.205 51 K C 2.105 178.458 176.600 -0.412 0.000 1.049 51 K CA 1.575 57.481 56.287 -0.635 0.000 0.936 51 K CB -0.360 31.891 32.500 -0.414 0.000 0.722 51 K HN 0.477 nan 8.250 nan 0.000 0.446 52 T N 0.754 115.089 114.554 -0.365 0.000 2.652 52 T HA -0.182 4.169 4.350 0.001 0.000 0.267 52 T C 2.043 176.558 174.700 -0.309 0.000 1.039 52 T CA 1.445 63.378 62.100 -0.278 0.000 1.153 52 T CB -0.309 68.418 68.868 -0.235 0.000 0.863 52 T HN 0.344 nan 8.240 nan 0.000 0.428 53 c N 0.949 119.278 118.600 -0.451 0.000 2.435 53 c HA 0.033 4.604 4.570 0.001 0.000 0.279 53 c C 2.793 176.729 174.090 -0.257 0.000 1.321 53 c CA -0.081 56.037 56.329 -0.353 0.000 1.752 53 c CB -1.234 41.013 42.510 -0.438 0.000 1.959 53 c HN 0.353 nan 8.230 nan 0.000 0.500 54 V N 1.422 121.146 119.914 -0.317 0.000 2.407 54 V HA -0.200 3.921 4.120 0.001 0.000 0.248 54 V C 2.666 178.668 176.094 -0.153 0.000 1.055 54 V CA 2.237 64.399 62.300 -0.231 0.000 1.049 54 V CB -1.037 30.594 31.823 -0.320 0.000 0.662 54 V HN 0.619 nan 8.190 nan 0.000 0.455 55 A N -0.676 122.046 122.820 -0.163 0.000 1.970 55 A HA -0.048 4.272 4.320 0.001 0.000 0.216 55 A C 1.208 178.742 177.584 -0.084 0.000 1.170 55 A CA 1.401 53.374 52.037 -0.108 0.000 0.645 55 A CB -0.034 18.903 19.000 -0.105 0.000 0.816 55 A HN 0.538 nan 8.150 nan 0.000 0.447 56 D N -1.987 118.354 120.400 -0.098 0.000 2.330 56 D HA 0.446 5.087 4.640 0.001 0.000 0.249 56 D C 0.796 177.051 176.300 -0.074 0.000 1.306 56 D CA 0.538 54.496 54.000 -0.070 0.000 0.956 56 D CB 0.737 41.502 40.800 -0.057 0.000 1.261 56 D HN 0.154 nan 8.370 nan 0.000 0.544 57 E N 1.079 121.243 120.200 -0.059 0.000 2.253 57 E HA -0.195 4.156 4.350 0.001 0.000 0.202 57 E C 1.309 177.889 176.600 -0.034 0.000 1.014 57 E CA 1.906 58.277 56.400 -0.049 0.000 0.823 57 E CB -0.397 nan 29.700 nan 0.000 0.736 57 E HN 0.358 nan 8.360 nan 0.000 0.478 58 S N -0.443 115.241 115.700 -0.025 0.000 2.572 58 S HA 0.591 5.061 4.470 0.001 0.000 0.228 58 S C 0.837 175.434 174.600 -0.004 0.000 0.963 58 S CA 0.101 58.296 58.200 -0.009 0.000 0.939 58 S CB 0.363 63.560 63.200 -0.004 0.000 0.804 58 S HN 0.833 nan 8.310 nan 0.000 0.480 59 A N 1.894 124.702 122.820 -0.020 0.000 2.406 59 A HA 0.255 4.576 4.320 0.001 0.000 0.243 59 A C 0.472 178.078 177.584 0.036 0.000 1.082 59 A CA -0.362 51.671 52.037 -0.007 0.000 0.786 59 A CB 0.044 19.019 19.000 -0.042 0.000 1.029 59 A HN 0.483 nan 8.150 nan 0.000 0.495 60 E N 0.901 121.138 120.200 0.061 0.000 2.568 60 E HA -0.126 4.225 4.350 0.001 0.000 0.262 60 E C 0.172 176.882 176.600 0.184 0.000 0.961 60 E CA 0.812 57.270 56.400 0.097 0.000 0.945 60 E CB 0.005 29.755 29.700 0.084 0.000 0.924 60 E HN 0.686 nan 8.360 nan 0.000 0.467 61 N N 1.698 120.494 118.700 0.159 0.000 2.895 61 N HA -0.281 4.460 4.740 0.001 0.000 0.237 61 N C 0.826 176.530 175.510 0.324 0.000 0.934 61 N CA 1.370 54.545 53.050 0.209 0.000 0.984 61 N CB -1.951 36.641 38.487 0.175 0.000 1.089 61 N HN 0.518 nan 8.380 nan 0.000 0.604 62 c N 1.432 120.180 118.600 0.246 0.000 2.419 62 c HA -0.095 4.476 4.570 0.001 0.000 0.283 62 c C 2.108 176.267 174.090 0.115 0.000 1.373 62 c CA 1.026 57.438 56.329 0.138 0.000 1.781 62 c CB -0.838 41.651 42.510 -0.034 0.000 1.886 62 c HN 0.563 nan 8.230 nan 0.000 0.520 63 D N 0.422 120.885 120.400 0.105 0.000 2.349 63 D HA -0.029 4.612 4.640 0.001 0.000 0.215 63 D C 0.492 176.852 176.300 0.100 0.000 1.016 63 D CA 0.255 54.305 54.000 0.082 0.000 0.870 63 D CB -0.331 40.504 40.800 0.058 0.000 0.917 63 D HN 0.378 nan 8.370 nan 0.000 0.524 64 K N 1.304 121.781 120.400 0.129 0.000 2.382 64 K HA 0.143 4.464 4.320 0.001 0.000 0.275 64 K C 0.792 177.476 176.600 0.141 0.000 1.009 64 K CA -0.174 56.186 56.287 0.123 0.000 0.970 64 K CB 0.815 33.387 32.500 0.119 0.000 0.934 64 K HN 0.152 nan 8.250 nan 0.000 0.479 65 S N 2.198 117.977 115.700 0.131 0.000 2.580 65 S HA 0.029 4.500 4.470 0.001 0.000 0.266 65 S C 1.379 176.079 174.600 0.168 0.000 1.354 65 S CA -0.530 57.761 58.200 0.152 0.000 1.008 65 S CB 0.410 63.707 63.200 0.160 0.000 0.898 65 S HN 0.565 nan 8.310 nan 0.000 0.555 66 L N 0.613 121.929 121.223 0.157 0.000 2.131 66 L HA -0.117 4.223 4.340 0.001 0.000 0.210 66 L C 2.526 179.424 176.870 0.047 0.000 1.092 66 L CA 1.608 56.503 54.840 0.092 0.000 0.759 66 L CB -0.792 41.274 42.059 0.011 0.000 0.903 66 L HN 0.803 nan 8.230 nan 0.000 0.435 67 H N -0.990 118.139 119.070 0.098 0.000 2.357 67 H HA -0.123 4.434 4.556 0.001 0.000 0.301 67 H C 2.355 177.776 175.328 0.154 0.000 1.082 67 H CA 1.949 58.072 56.048 0.125 0.000 1.342 67 H CB -0.223 29.606 29.762 0.111 0.000 1.389 67 H HN 0.189 nan 8.280 nan 0.000 0.511 68 T N 0.779 115.475 114.554 0.236 0.000 2.708 68 T HA -0.114 4.236 4.350 0.001 0.000 0.266 68 T C 2.204 176.970 174.700 0.109 0.000 1.037 68 T CA 1.143 63.337 62.100 0.157 0.000 1.146 68 T CB -0.368 68.573 68.868 0.122 0.000 0.865 68 T HN 0.164 nan 8.240 nan 0.000 0.435 69 L N -0.134 121.155 121.223 0.110 0.000 2.012 69 L HA -0.081 4.260 4.340 0.001 0.000 0.210 69 L C 2.346 179.251 176.870 0.058 0.000 1.073 69 L CA 1.502 56.377 54.840 0.059 0.000 0.748 69 L CB -0.611 41.520 42.059 0.119 0.000 0.891 69 L HN 0.184 nan 8.230 nan 0.000 0.431 70 F N 0.915 120.820 119.950 -0.076 0.000 2.134 70 F HA -0.135 4.392 4.527 0.001 0.000 0.299 70 F C 2.218 177.922 175.800 -0.161 0.000 1.097 70 F CA 1.532 59.422 58.000 -0.184 0.000 1.264 70 F CB -0.712 38.083 39.000 -0.343 0.000 1.001 70 F HN -0.026 nan 8.300 nan 0.000 0.479 71 G N -0.210 108.544 108.800 -0.078 0.000 2.421 71 G HA2 -0.261 3.699 3.960 0.001 0.000 0.216 71 G HA3 -0.261 3.699 3.960 0.001 0.000 0.216 71 G C 1.409 176.261 174.900 -0.081 0.000 1.171 71 G CA 0.983 46.044 45.100 -0.065 0.000 0.775 71 G HN 0.326 nan 8.290 nan 0.000 0.543 72 D N 0.516 120.893 120.400 -0.039 0.000 2.158 72 D HA -0.102 4.539 4.640 0.001 0.000 0.197 72 D C 2.336 178.571 176.300 -0.109 0.000 0.995 72 D CA 1.148 55.116 54.000 -0.053 0.000 0.846 72 D CB -0.079 40.687 40.800 -0.057 0.000 0.941 72 D HN 0.199 nan 8.370 nan 0.000 0.456 73 K N 0.322 120.635 120.400 -0.145 0.000 2.097 73 K HA -0.057 4.263 4.320 0.001 0.000 0.205 73 K C 1.940 178.415 176.600 -0.208 0.000 1.050 73 K CA 0.295 56.492 56.287 -0.150 0.000 0.938 73 K CB -0.518 31.960 32.500 -0.035 0.000 0.718 73 K HN -0.025 nan 8.250 nan 0.000 0.442 74 L N 0.421 121.457 121.223 -0.311 0.000 2.012 74 L HA -0.200 4.141 4.340 0.001 0.000 0.210 74 L C 1.865 178.605 176.870 -0.217 0.000 1.073 74 L CA 1.626 56.229 54.840 -0.394 0.000 0.748 74 L CB -0.825 40.732 42.059 -0.836 0.000 0.891 74 L HN 0.245 nan 8.230 nan 0.000 0.431 75 c N -1.492 117.044 118.600 -0.105 0.000 2.485 75 c HA -0.054 4.517 4.570 0.001 0.000 0.283 75 c C 2.624 176.687 174.090 -0.045 0.000 1.478 75 c CA 0.909 57.235 56.329 -0.006 0.000 1.741 75 c CB -1.555 40.988 42.510 0.055 0.000 1.675 75 c HN 0.540 nan 8.230 nan 0.000 0.573 76 T N 0.252 114.750 114.554 -0.094 0.000 2.937 76 T HA -0.004 4.347 4.350 0.001 0.000 0.260 76 T C 0.848 175.490 174.700 -0.097 0.000 1.051 76 T CA 0.627 62.668 62.100 -0.098 0.000 1.141 76 T CB 0.023 68.812 68.868 -0.131 0.000 0.879 76 T HN 0.207 nan 8.240 nan 0.000 0.459 77 V N 2.785 122.630 119.914 -0.115 0.000 2.486 77 V HA 0.035 4.156 4.120 0.001 0.000 0.290 77 V C 1.526 177.594 176.094 -0.044 0.000 0.991 77 V CA 0.283 62.526 62.300 -0.095 0.000 1.142 77 V CB 0.125 31.895 31.823 -0.088 0.000 0.926 77 V HN 0.484 nan 8.190 nan 0.000 0.472 78 A N 4.632 127.423 122.820 -0.048 0.000 1.968 78 A HA -0.103 4.218 4.320 0.001 0.000 0.217 78 A C 2.248 179.823 177.584 -0.014 0.000 1.169 78 A CA 1.778 53.797 52.037 -0.031 0.000 0.638 78 A CB -0.335 18.641 19.000 -0.040 0.000 0.812 78 A HN 0.765 nan 8.150 nan 0.000 0.446 79 T N -0.819 113.727 114.554 -0.012 0.000 3.148 79 T HA 0.069 4.420 4.350 0.001 0.000 0.253 79 T C 1.546 176.268 174.700 0.037 0.000 1.134 79 T CA 0.660 62.756 62.100 -0.007 0.000 1.051 79 T CB -0.765 68.085 68.868 -0.030 0.000 0.959 79 T HN 0.237 nan 8.240 nan 0.000 0.525 80 L N 2.109 123.385 121.223 0.087 0.000 2.010 80 L HA -0.152 4.189 4.340 0.001 0.000 0.219 80 L C 2.506 179.484 176.870 0.181 0.000 1.077 80 L CA 2.387 57.345 54.840 0.196 0.000 0.773 80 L CB -0.570 41.556 42.059 0.112 0.000 0.892 80 L HN 0.310 nan 8.230 nan 0.000 0.436 81 R N -1.262 119.287 120.500 0.081 0.000 2.090 81 R HA -0.112 4.229 4.340 0.001 0.000 0.228 81 R C 2.051 178.361 176.300 0.017 0.000 1.110 81 R CA 1.379 57.509 56.100 0.050 0.000 0.973 81 R CB -0.166 30.149 30.300 0.025 0.000 0.869 81 R HN 0.392 nan 8.270 nan 0.000 0.440 82 E N -0.540 119.656 120.200 -0.008 0.000 2.208 82 E HA -0.067 4.284 4.350 0.001 0.000 0.193 82 E C 1.787 178.335 176.600 -0.087 0.000 0.988 82 E CA 1.541 57.918 56.400 -0.038 0.000 0.828 82 E CB -0.247 29.429 29.700 -0.040 0.000 0.763 82 E HN 0.588 nan 8.360 nan 0.000 0.478 83 T N -0.576 113.893 114.554 -0.142 0.000 2.983 83 T HA 0.053 4.404 4.350 0.001 0.000 0.250 83 T C 1.080 175.470 174.700 -0.517 0.000 1.037 83 T CA 0.720 62.597 62.100 -0.371 0.000 1.142 83 T CB -0.153 68.370 68.868 -0.576 0.000 0.876 83 T HN 0.415 nan 8.240 nan 0.000 0.455 84 Y N 0.626 120.932 120.300 0.010 0.000 2.445 84 Y HA 0.430 4.981 4.550 0.001 0.000 0.247 84 Y C 1.966 177.866 175.900 0.001 0.000 1.129 84 Y CA -0.452 57.659 58.100 0.018 0.000 1.251 84 Y CB -0.249 38.228 38.460 0.030 0.000 1.176 84 Y HN 0.314 nan 8.280 nan 0.000 0.522 85 G N 1.443 110.295 108.800 0.086 0.000 2.704 85 G HA2 -0.558 3.402 3.960 0.001 0.000 0.344 85 G HA3 -0.558 3.402 3.960 0.001 0.000 0.344 85 G C 1.379 176.298 174.900 0.031 0.000 1.200 85 G CA 1.227 46.355 45.100 0.047 0.000 0.962 85 G HN 0.431 nan 8.290 nan 0.000 0.552 86 E N 0.132 120.343 120.200 0.018 0.000 2.233 86 E HA -0.201 4.150 4.350 0.001 0.000 0.199 86 E C 2.533 179.018 176.600 -0.191 0.000 1.004 86 E CA 1.840 58.222 56.400 -0.030 0.000 0.819 86 E CB -0.209 29.521 29.700 0.050 0.000 0.738 86 E HN 0.587 nan 8.360 nan 0.000 0.478 87 M N -0.222 119.239 119.600 -0.231 0.000 2.229 87 M HA -0.125 4.355 4.480 0.001 0.000 0.264 87 M C 2.141 178.381 176.300 -0.100 0.000 1.063 87 M CA 1.437 56.537 55.300 -0.334 0.000 1.114 87 M CB -0.034 32.507 32.600 -0.098 0.000 1.387 87 M HN 0.253 nan 8.290 nan 0.000 0.420 88 A N 0.451 123.268 122.820 -0.006 0.000 1.978 88 A HA -0.210 4.111 4.320 0.001 0.000 0.220 88 A C 1.527 179.097 177.584 -0.023 0.000 1.170 88 A CA 2.026 54.080 52.037 0.027 0.000 0.636 88 A CB -0.871 18.153 19.000 0.040 0.000 0.810 88 A HN 0.565 nan 8.150 nan 0.000 0.448 89 D N -0.555 119.811 120.400 -0.056 0.000 2.351 89 D HA -0.106 4.535 4.640 0.001 0.000 0.216 89 D C 1.765 178.004 176.300 -0.101 0.000 0.968 89 D CA 0.933 54.898 54.000 -0.059 0.000 0.899 89 D CB -0.520 40.254 40.800 -0.043 0.000 0.907 89 D HN 0.487 nan 8.370 nan 0.000 0.514 90 c N 0.229 118.722 118.600 -0.179 0.000 2.440 90 c HA -0.131 4.440 4.570 0.001 0.000 0.278 90 c C 2.915 176.839 174.090 -0.276 0.000 1.295 90 c CA 0.068 56.195 56.329 -0.336 0.000 1.738 90 c CB -0.926 41.130 42.510 -0.757 0.000 1.987 90 c HN 0.463 nan 8.230 nan 0.000 0.492 91 c N 1.009 119.529 118.600 -0.133 0.000 2.419 91 c HA -0.040 4.531 4.570 0.001 0.000 0.283 91 c C 2.873 176.942 174.090 -0.034 0.000 1.373 91 c CA 1.082 57.393 56.329 -0.030 0.000 1.781 91 c CB -1.640 40.893 42.510 0.040 0.000 1.886 91 c HN 0.716 nan 8.230 nan 0.000 0.520 92 A N -0.211 122.581 122.820 -0.046 0.000 2.167 92 A HA 0.033 4.354 4.320 0.001 0.000 0.214 92 A C 0.944 178.506 177.584 -0.036 0.000 1.151 92 A CA 0.723 52.741 52.037 -0.032 0.000 0.735 92 A CB -0.126 18.858 19.000 -0.027 0.000 0.802 92 A HN 0.679 nan 8.150 nan 0.000 0.467 93 K N -0.117 120.247 120.400 -0.060 0.000 2.087 93 K HA 0.394 4.714 4.320 0.001 0.000 0.255 93 K C -0.069 176.509 176.600 -0.036 0.000 0.988 93 K CA -0.382 55.873 56.287 -0.053 0.000 0.915 93 K CB 0.874 33.325 32.500 -0.082 0.000 1.043 93 K HN 0.367 nan 8.250 nan 0.000 0.457 94 Q N 1.500 121.289 119.800 -0.018 0.000 2.245 94 Q HA 0.106 4.447 4.340 0.001 0.000 0.256 94 Q C -0.954 175.051 176.000 0.008 0.000 0.942 94 Q CA -0.663 55.140 55.803 0.000 0.000 0.896 94 Q CB 1.417 30.157 28.738 0.004 0.000 1.272 94 Q HN 0.344 nan 8.270 nan 0.000 0.442 95 E N 3.076 123.294 120.200 0.029 0.000 2.437 95 E HA -0.022 4.329 4.350 0.001 0.000 0.263 95 E C -1.755 174.860 176.600 0.025 0.000 1.030 95 E CA -0.800 55.626 56.400 0.044 0.000 0.934 95 E CB 0.708 30.451 29.700 0.072 0.000 0.943 95 E HN 0.424 nan 8.360 nan 0.000 0.444 96 P HA 0.054 nan 4.420 nan 0.000 0.257 96 P C 0.335 177.653 177.300 0.029 0.000 1.281 96 P CA 0.289 63.400 63.100 0.018 0.000 0.826 96 P CB 0.493 32.183 31.700 -0.017 0.000 1.237 97 E N 0.657 120.866 120.200 0.015 0.000 2.208 97 E HA -0.132 4.219 4.350 0.001 0.000 0.193 97 E C 2.229 178.817 176.600 -0.021 0.000 0.988 97 E CA 0.339 56.742 56.400 0.006 0.000 0.828 97 E CB 0.008 29.705 29.700 -0.005 0.000 0.763 97 E HN 0.094 nan 8.360 nan 0.000 0.478 98 R N 0.651 121.130 120.500 -0.035 0.000 2.075 98 R HA -0.172 4.169 4.340 0.001 0.000 0.232 98 R C 2.115 178.337 176.300 -0.130 0.000 1.126 98 R CA 1.796 57.810 56.100 -0.144 0.000 0.963 98 R CB -0.176 30.082 30.300 -0.071 0.000 0.858 98 R HN 0.059 nan 8.270 nan 0.000 0.435 99 N N 0.492 119.269 118.700 0.129 0.000 2.120 99 N HA -0.217 4.524 4.740 0.001 0.000 0.188 99 N C 1.638 177.303 175.510 0.257 0.000 1.024 99 N CA 1.716 54.967 53.050 0.335 0.000 0.852 99 N CB -0.127 38.565 38.487 0.341 0.000 1.003 99 N HN 0.194 nan 8.380 nan 0.000 0.424 100 E N 0.107 120.397 120.200 0.150 0.000 2.085 100 E HA -0.165 4.186 4.350 0.001 0.000 0.194 100 E C 2.090 178.760 176.600 0.117 0.000 0.994 100 E CA 1.101 57.587 56.400 0.144 0.000 0.801 100 E CB -1.023 28.745 29.700 0.114 0.000 0.743 100 E HN 0.487 nan 8.360 nan 0.000 0.453 101 c N -0.403 118.218 118.600 0.035 0.000 2.425 101 c HA -0.125 4.445 4.570 0.001 0.000 0.277 101 c C 2.392 176.575 174.090 0.154 0.000 1.280 101 c CA 0.804 57.145 56.329 0.019 0.000 1.744 101 c CB -1.522 40.890 42.510 -0.162 0.000 1.989 101 c HN 0.458 nan 8.230 nan 0.000 0.491 102 F N 0.485 120.574 119.950 0.232 0.000 2.113 102 F HA -0.002 4.526 4.527 0.001 0.000 0.297 102 F C 2.141 178.087 175.800 0.243 0.000 1.103 102 F CA 1.052 59.218 58.000 0.276 0.000 1.248 102 F CB -1.168 38.027 39.000 0.325 0.000 0.999 102 F HN 0.079 nan 8.300 nan 0.000 0.475 103 L N 0.198 121.633 121.223 0.353 0.000 2.043 103 L HA -0.237 4.104 4.340 0.001 0.000 0.212 103 L C 2.241 179.155 176.870 0.074 0.000 1.075 103 L CA 1.723 56.631 54.840 0.113 0.000 0.752 103 L CB -1.601 40.441 42.059 -0.028 0.000 0.891 103 L HN 0.301 nan 8.230 nan 0.000 0.432 104 Q N -1.559 118.281 119.800 0.068 0.000 2.439 104 Q HA -0.147 4.194 4.340 0.001 0.000 0.211 104 Q C 1.131 176.983 176.000 -0.246 0.000 0.978 104 Q CA 0.792 56.547 55.803 -0.079 0.000 0.897 104 Q CB -0.053 28.602 28.738 -0.138 0.000 0.956 104 Q HN 0.656 nan 8.270 nan 0.000 0.483 105 H N -0.494 118.639 119.070 0.105 0.000 2.755 105 H HA 0.212 4.769 4.556 0.002 0.000 0.273 105 H C -0.039 175.336 175.328 0.078 0.000 1.055 105 H CA -0.137 55.974 56.048 0.106 0.000 1.191 105 H CB 0.655 30.501 29.762 0.140 0.000 1.536 105 H HN 0.024 nan 8.280 nan 0.000 0.529 106 K N 2.401 122.857 120.400 0.093 0.000 2.402 106 K HA -0.037 4.284 4.320 0.001 0.000 0.285 106 K C -0.371 176.265 176.600 0.061 0.000 1.054 106 K CA -0.007 56.260 56.287 -0.033 0.000 1.001 106 K CB 0.348 32.681 32.500 -0.278 0.000 0.946 106 K HN 0.070 nan 8.250 nan 0.000 0.473 107 D N 3.027 123.466 120.400 0.065 0.000 2.393 107 D HA -0.025 4.616 4.640 0.001 0.000 0.232 107 D C 0.750 177.110 176.300 0.100 0.000 1.192 107 D CA -0.039 54.016 54.000 0.091 0.000 0.882 107 D CB 0.657 41.508 40.800 0.086 0.000 1.038 107 D HN 0.398 nan 8.370 nan 0.000 0.499 108 D N 2.976 123.489 120.400 0.190 0.000 2.354 108 D HA -0.174 4.467 4.640 0.001 0.000 0.216 108 D C -0.295 176.069 176.300 0.107 0.000 0.970 108 D CA 0.709 54.855 54.000 0.243 0.000 0.905 108 D CB 0.147 41.069 40.800 0.205 0.000 0.903 108 D HN 0.410 nan 8.370 nan 0.000 0.508 109 N N 0.091 118.826 118.700 0.059 0.000 2.732 109 N HA 0.128 4.869 4.740 0.001 0.000 0.247 109 N C -3.011 172.504 175.510 0.009 0.000 1.305 109 N CA -1.033 52.028 53.050 0.018 0.000 0.762 109 N CB 1.843 40.342 38.487 0.019 0.000 1.361 109 N HN -0.108 nan 8.380 nan 0.000 0.545 110 P HA 0.289 nan 4.420 nan 0.000 0.278 110 P C -0.765 176.527 177.300 -0.015 0.000 1.266 110 P CA -0.451 62.648 63.100 -0.002 0.000 0.807 110 P CB 1.146 32.841 31.700 -0.009 0.000 1.094 111 N N 1.230 119.926 118.700 -0.005 0.000 3.234 111 N HA 0.288 5.029 4.740 0.001 0.000 0.272 111 N C -0.368 175.132 175.510 -0.017 0.000 1.254 111 N CA -0.038 53.006 53.050 -0.010 0.000 1.087 111 N CB -0.071 38.415 38.487 -0.002 0.000 1.356 111 N HN 0.333 nan 8.380 nan 0.000 0.511 112 L N 0.907 122.112 121.223 -0.031 0.000 2.330 112 L HA 0.589 4.930 4.340 0.001 0.000 0.271 112 L C -1.786 175.065 176.870 -0.032 0.000 1.013 112 L CA -1.864 52.955 54.840 -0.035 0.000 0.816 112 L CB 0.770 42.793 42.059 -0.059 0.000 1.287 112 L HN 0.060 nan 8.230 nan 0.000 0.435 113 P HA 0.133 nan 4.420 nan 0.000 0.270 113 P C -1.033 176.256 177.300 -0.019 0.000 1.223 113 P CA -0.577 62.513 63.100 -0.016 0.000 0.785 113 P CB 0.349 32.043 31.700 -0.010 0.000 0.923 114 R N 1.162 121.656 120.500 -0.009 0.000 2.679 114 R HA 0.266 4.606 4.340 0.001 0.000 0.268 114 R C -0.504 175.799 176.300 0.005 0.000 1.044 114 R CA -0.606 55.492 56.100 -0.003 0.000 1.105 114 R CB -0.130 30.174 30.300 0.007 0.000 0.989 114 R HN 0.206 nan 8.270 nan 0.000 0.447 115 L N 3.841 125.071 121.223 0.011 0.000 2.313 115 L HA 0.187 4.527 4.340 0.001 0.000 0.282 115 L C -0.427 176.471 176.870 0.046 0.000 1.092 115 L CA -0.221 54.639 54.840 0.034 0.000 0.831 115 L CB 1.413 43.495 42.059 0.038 0.000 1.159 115 L HN 0.637 nan 8.230 nan 0.000 0.442 116 V N 3.192 123.143 119.914 0.061 0.000 2.612 116 V HA 0.589 4.710 4.120 0.001 0.000 0.301 116 V C 0.155 176.297 176.094 0.080 0.000 1.046 116 V CA -1.040 61.296 62.300 0.059 0.000 0.946 116 V CB 1.386 33.240 31.823 0.051 0.000 1.003 116 V HN 0.818 nan 8.190 nan 0.000 0.459 117 R N 4.047 124.584 120.500 0.062 0.000 2.248 117 R HA 0.451 4.792 4.340 0.001 0.000 0.328 117 R C -2.204 174.150 176.300 0.089 0.000 1.067 117 R CA -1.180 54.959 56.100 0.066 0.000 0.924 117 R CB 0.542 30.871 30.300 0.048 0.000 1.013 117 R HN 0.734 nan 8.270 nan 0.000 0.454 118 P HA 0.125 nan 4.420 nan 0.000 0.282 118 P C -0.697 176.671 177.300 0.113 0.000 1.286 118 P CA -0.223 62.957 63.100 0.133 0.000 0.777 118 P CB 0.362 32.179 31.700 0.195 0.000 1.184 119 E N -0.396 119.863 120.200 0.099 0.000 2.366 119 E HA 0.161 4.512 4.350 0.001 0.000 0.266 119 E C 1.285 177.941 176.600 0.094 0.000 1.051 119 E CA -0.418 56.029 56.400 0.079 0.000 0.884 119 E CB -0.275 29.461 29.700 0.060 0.000 1.006 119 E HN 0.242 nan 8.360 nan 0.000 0.417 120 V N 1.794 121.753 119.914 0.074 0.000 2.278 120 V HA -0.291 3.830 4.120 0.001 0.000 0.251 120 V C 1.822 177.964 176.094 0.080 0.000 1.062 120 V CA 2.427 64.773 62.300 0.076 0.000 1.038 120 V CB -0.471 31.373 31.823 0.035 0.000 0.646 120 V HN 0.879 nan 8.190 nan 0.000 0.447 121 D N -0.069 120.365 120.400 0.057 0.000 2.178 121 D HA -0.130 4.511 4.640 0.001 0.000 0.201 121 D C 2.145 178.478 176.300 0.056 0.000 0.980 121 D CA 1.679 55.707 54.000 0.046 0.000 0.842 121 D CB -0.379 40.439 40.800 0.030 0.000 0.948 121 D HN 0.534 nan 8.370 nan 0.000 0.472 122 V N -1.457 118.501 119.914 0.073 0.000 2.379 122 V HA -0.171 3.950 4.120 0.001 0.000 0.245 122 V C 2.199 178.352 176.094 0.098 0.000 1.044 122 V CA 1.057 63.408 62.300 0.085 0.000 1.036 122 V CB -0.631 31.253 31.823 0.101 0.000 0.664 122 V HN 0.036 nan 8.190 nan 0.000 0.453 123 M N -0.161 119.521 119.600 0.138 0.000 2.086 123 M HA -0.153 4.328 4.480 0.001 0.000 0.261 123 M C 2.471 178.702 176.300 -0.115 0.000 1.067 123 M CA 2.468 57.836 55.300 0.114 0.000 1.116 123 M CB -0.745 32.067 32.600 0.352 0.000 1.348 123 M HN 0.515 nan 8.290 nan 0.000 0.407 124 c N 0.011 118.647 118.600 0.060 0.000 2.429 124 c HA -0.131 4.440 4.570 0.001 0.000 0.277 124 c C 2.895 177.031 174.090 0.077 0.000 1.262 124 c CA 1.446 57.833 56.329 0.097 0.000 1.733 124 c CB -1.034 41.543 42.510 0.112 0.000 2.010 124 c HN 0.567 nan 8.230 nan 0.000 0.483 125 T N 0.820 115.395 114.554 0.036 0.000 2.788 125 T HA -0.093 4.257 4.350 0.001 0.000 0.268 125 T C 2.010 176.732 174.700 0.036 0.000 1.044 125 T CA 1.544 63.664 62.100 0.033 0.000 1.139 125 T CB -0.295 68.584 68.868 0.018 0.000 0.867 125 T HN 0.645 nan 8.240 nan 0.000 0.454 126 A N 0.791 123.590 122.820 -0.034 0.000 1.929 126 A HA 0.076 4.397 4.320 0.001 0.000 0.216 126 A C 1.959 179.417 177.584 -0.210 0.000 1.176 126 A CA 0.907 52.910 52.037 -0.057 0.000 0.628 126 A CB -0.840 18.187 19.000 0.045 0.000 0.816 126 A HN 0.474 nan 8.150 nan 0.000 0.444 127 F N 0.511 120.055 119.950 -0.677 0.000 2.102 127 F HA -0.224 4.304 4.527 0.002 0.000 0.298 127 F C 2.362 178.039 175.800 -0.204 0.000 1.105 127 F CA 2.284 59.876 58.000 -0.679 0.000 1.239 127 F CB -0.479 38.077 39.000 -0.741 0.000 0.991 127 F HN 0.527 nan 8.300 nan 0.000 0.474 128 H N 0.041 119.008 119.070 -0.172 0.000 2.321 128 H HA -0.144 4.413 4.556 0.001 0.000 0.300 128 H C 1.439 176.665 175.328 -0.171 0.000 1.087 128 H CA 2.047 57.992 56.048 -0.172 0.000 1.319 128 H CB -0.547 29.203 29.762 -0.021 0.000 1.379 128 H HN 0.223 nan 8.280 nan 0.000 0.501 129 D N 0.363 120.770 120.400 0.010 0.000 2.350 129 D HA -0.078 4.562 4.640 0.001 0.000 0.216 129 D C 0.153 176.389 176.300 -0.106 0.000 0.968 129 D CA 0.783 54.768 54.000 -0.025 0.000 0.894 129 D CB -0.001 40.841 40.800 0.069 0.000 0.909 129 D HN 0.253 nan 8.370 nan 0.000 0.520 130 N N -0.040 118.573 118.700 -0.146 0.000 3.506 130 N HA -0.073 4.668 4.740 0.001 0.000 0.174 130 N C 0.352 175.794 175.510 -0.112 0.000 1.488 130 N CA -0.092 52.895 53.050 -0.105 0.000 0.834 130 N CB 0.242 38.720 38.487 -0.015 0.000 1.677 130 N HN -0.130 nan 8.380 nan 0.000 0.654 131 E N 0.798 120.832 120.200 -0.276 0.000 2.070 131 E HA -0.213 4.138 4.350 0.001 0.000 0.197 131 E C 0.949 177.548 176.600 -0.002 0.000 1.004 131 E CA 1.335 57.536 56.400 -0.333 0.000 0.805 131 E CB 0.315 29.719 29.700 -0.492 0.000 0.744 131 E HN 0.518 nan 8.360 nan 0.000 0.451 132 E N -0.623 119.579 120.200 0.003 0.000 2.031 132 E HA -0.178 4.173 4.350 0.001 0.000 0.193 132 E C 2.306 178.973 176.600 0.112 0.000 0.994 132 E CA 1.890 58.331 56.400 0.068 0.000 0.800 132 E CB -0.165 29.563 29.700 0.046 0.000 0.752 132 E HN 0.444 nan 8.360 nan 0.000 0.447 133 T N -0.913 113.705 114.554 0.106 0.000 2.821 133 T HA -0.160 4.191 4.350 0.001 0.000 0.267 133 T C 1.875 176.589 174.700 0.023 0.000 1.046 133 T CA 0.977 63.145 62.100 0.113 0.000 1.139 133 T CB -0.569 68.362 68.868 0.104 0.000 0.871 133 T HN 0.140 nan 8.240 nan 0.000 0.454 134 F N 1.931 121.859 119.950 -0.038 0.000 2.095 134 F HA 0.073 4.601 4.527 0.001 0.000 0.298 134 F C 1.960 177.786 175.800 0.043 0.000 1.104 134 F CA 1.325 59.314 58.000 -0.018 0.000 1.232 134 F CB -0.372 38.645 39.000 0.028 0.000 0.987 134 F HN 0.125 nan 8.300 nan 0.000 0.475 135 L N -0.285 121.006 121.223 0.113 0.000 2.095 135 L HA -0.141 4.200 4.340 0.001 0.000 0.204 135 L C 2.459 179.333 176.870 0.008 0.000 1.080 135 L CA 0.818 55.693 54.840 0.059 0.000 0.759 135 L CB -0.642 41.542 42.059 0.208 0.000 0.914 135 L HN -0.049 nan 8.230 nan 0.000 0.439 136 K N 0.462 120.897 120.400 0.058 0.000 2.097 136 K HA -0.167 4.153 4.320 0.001 0.000 0.205 136 K C 2.005 178.631 176.600 0.043 0.000 1.050 136 K CA 1.064 57.438 56.287 0.144 0.000 0.938 136 K CB -0.206 32.472 32.500 0.297 0.000 0.718 136 K HN 0.059 nan 8.250 nan 0.000 0.442 137 K N 0.373 120.538 120.400 -0.392 0.000 2.026 137 K HA -0.136 4.185 4.320 0.001 0.000 0.208 137 K C 1.990 178.288 176.600 -0.503 0.000 1.048 137 K CA 1.445 57.141 56.287 -0.985 0.000 0.929 137 K CB -0.432 31.415 32.500 -1.088 0.000 0.713 137 K HN 0.041 nan 8.250 nan 0.000 0.439 138 Y N 0.504 120.575 120.300 -0.381 0.000 2.314 138 Y HA -0.035 4.516 4.550 0.001 0.000 0.293 138 Y C 2.031 177.806 175.900 -0.209 0.000 1.129 138 Y CA 0.990 58.893 58.100 -0.328 0.000 1.201 138 Y CB -0.151 38.023 38.460 -0.478 0.000 0.999 138 Y HN 0.037 nan 8.280 nan 0.000 0.541 139 L N -1.006 120.218 121.223 0.002 0.000 2.012 139 L HA -0.305 4.036 4.340 0.001 0.000 0.210 139 L C 2.434 179.325 176.870 0.034 0.000 1.073 139 L CA 1.905 56.750 54.840 0.008 0.000 0.748 139 L CB -0.539 41.551 42.059 0.051 0.000 0.891 139 L HN 0.357 nan 8.230 nan 0.000 0.431 140 Y N 0.840 121.123 120.300 -0.029 0.000 2.114 140 Y HA -0.281 4.270 4.550 0.002 0.000 0.284 140 Y C 2.524 178.393 175.900 -0.052 0.000 1.143 140 Y CA 1.783 59.882 58.100 -0.001 0.000 1.135 140 Y CB -0.248 38.318 38.460 0.176 0.000 0.980 140 Y HN 0.161 nan 8.280 nan 0.000 0.499 141 E N 0.466 120.513 120.200 -0.256 0.000 2.118 141 E HA -0.186 4.165 4.350 0.001 0.000 0.195 141 E C 2.282 178.739 176.600 -0.239 0.000 0.992 141 E CA 1.434 57.625 56.400 -0.349 0.000 0.804 141 E CB -0.225 29.374 29.700 -0.167 0.000 0.741 141 E HN 0.545 nan 8.360 nan 0.000 0.458 142 I N 0.716 121.202 120.570 -0.140 0.000 2.233 142 I HA -0.135 4.036 4.170 0.001 0.000 0.243 142 I C 2.430 178.500 176.117 -0.079 0.000 1.093 142 I CA 0.900 62.148 61.300 -0.087 0.000 1.380 142 I CB -1.382 36.533 38.000 -0.142 0.000 1.067 142 I HN -0.062 nan 8.210 nan 0.000 0.413 143 A N 2.127 124.869 122.820 -0.130 0.000 1.902 143 A HA -0.213 4.107 4.320 0.001 0.000 0.217 143 A C 2.423 179.931 177.584 -0.127 0.000 1.181 143 A CA 1.762 53.736 52.037 -0.107 0.000 0.623 143 A CB -0.682 18.261 19.000 -0.095 0.000 0.818 143 A HN 0.526 nan 8.150 nan 0.000 0.443 144 R N -0.643 119.721 120.500 -0.227 0.000 2.152 144 R HA -0.042 4.299 4.340 0.001 0.000 0.232 144 R C 1.855 178.041 176.300 -0.190 0.000 1.117 144 R CA 1.488 57.455 56.100 -0.221 0.000 0.981 144 R CB -0.357 29.732 30.300 -0.352 0.000 0.870 144 R HN 0.439 nan 8.270 nan 0.000 0.451 145 R N -0.204 120.154 120.500 -0.236 0.000 2.210 145 R HA 0.093 4.433 4.340 0.001 0.000 0.203 145 R C 0.119 176.120 176.300 -0.498 0.000 1.010 145 R CA 0.501 56.395 56.100 -0.344 0.000 1.008 145 R CB 0.262 30.322 30.300 -0.400 0.000 0.923 145 R HN 0.352 nan 8.270 nan 0.000 0.469 146 H N -0.412 118.625 119.070 -0.053 0.000 2.423 146 H HA 0.190 4.747 4.556 0.001 0.000 0.237 146 H C -2.104 173.236 175.328 0.020 0.000 1.391 146 H CA -2.069 53.996 56.048 0.028 0.000 1.453 146 H CB 1.468 31.252 29.762 0.038 0.000 1.484 146 H HN -0.042 nan 8.280 nan 0.000 0.505 147 P HA -0.158 nan 4.420 nan 0.000 0.218 147 P C 0.703 177.794 177.300 -0.350 0.000 1.148 147 P CA 1.396 64.372 63.100 -0.206 0.000 0.822 147 P CB 0.087 31.607 31.700 -0.301 0.000 0.784 148 Y N -3.604 116.738 120.300 0.070 0.000 2.457 148 Y HA 0.229 4.780 4.550 0.002 0.000 0.263 148 Y C 0.858 176.833 175.900 0.125 0.000 1.164 148 Y CA -0.619 57.516 58.100 0.059 0.000 1.274 148 Y CB -0.556 37.919 38.460 0.026 0.000 1.097 148 Y HN -0.169 nan 8.280 nan 0.000 0.523 149 F N 1.230 121.256 119.950 0.126 0.000 2.533 149 F HA 0.014 4.542 4.527 0.002 0.000 0.378 149 F C 0.363 176.231 175.800 0.115 0.000 1.070 149 F CA -1.108 56.963 58.000 0.118 0.000 1.172 149 F CB -0.226 38.809 39.000 0.059 0.000 1.085 149 F HN 0.019 nan 8.300 nan 0.000 0.552 150 Y N 6.272 126.601 120.300 0.048 0.000 2.852 150 Y HA 0.060 4.611 4.550 0.002 0.000 0.343 150 Y C 1.134 177.120 175.900 0.143 0.000 1.280 150 Y CA 0.019 58.153 58.100 0.057 0.000 1.604 150 Y CB 0.332 38.790 38.460 -0.003 0.000 1.216 150 Y HN 0.768 nan 8.280 nan 0.000 0.541 151 A N 7.564 130.178 122.820 -0.343 0.000 1.873 151 A HA -0.173 4.148 4.320 0.001 0.000 0.218 151 A C -0.292 177.025 177.584 -0.446 0.000 1.193 151 A CA 1.847 53.687 52.037 -0.328 0.000 0.629 151 A CB -1.791 17.004 19.000 -0.343 0.000 0.826 151 A HN 0.713 nan 8.150 nan 0.000 0.447 152 P HA -0.161 nan 4.420 nan 0.000 0.218 152 P C 1.361 178.060 177.300 -1.002 0.000 1.148 152 P CA 1.562 64.209 63.100 -0.754 0.000 0.822 152 P CB -0.006 31.340 31.700 -0.590 0.000 0.784 153 E N -0.915 119.055 120.200 -0.384 0.000 2.216 153 E HA -0.123 4.228 4.350 0.001 0.000 0.192 153 E C 1.671 178.412 176.600 0.236 0.000 0.988 153 E CA 0.389 56.785 56.400 -0.006 0.000 0.834 153 E CB -0.365 29.621 29.700 0.477 0.000 0.772 153 E HN 0.025 nan 8.360 nan 0.000 0.479 154 L N 0.872 122.212 121.223 0.195 0.000 2.291 154 L HA -0.060 4.280 4.340 0.001 0.000 0.214 154 L C 1.965 178.858 176.870 0.038 0.000 1.120 154 L CA 0.917 55.839 54.840 0.136 0.000 0.799 154 L CB -0.293 41.749 42.059 -0.029 0.000 0.925 154 L HN 0.235 nan 8.230 nan 0.000 0.446 155 L N -1.804 119.315 121.223 -0.174 0.000 2.131 155 L HA -0.046 4.295 4.340 0.001 0.000 0.206 155 L C 2.143 178.984 176.870 -0.050 0.000 1.087 155 L CA 1.569 56.307 54.840 -0.170 0.000 0.767 155 L CB -0.756 41.111 42.059 -0.319 0.000 0.917 155 L HN 0.121 nan 8.230 nan 0.000 0.441 156 F N -0.858 119.084 119.950 -0.013 0.000 2.171 156 F HA -0.167 4.361 4.527 0.001 0.000 0.300 156 F C 2.250 178.011 175.800 -0.065 0.000 1.090 156 F CA 1.035 58.961 58.000 -0.123 0.000 1.293 156 F CB -1.439 37.327 39.000 -0.390 0.000 1.013 156 F HN 0.024 nan 8.300 nan 0.000 0.486 157 F N 0.271 120.361 119.950 0.234 0.000 2.186 157 F HA -0.108 4.420 4.527 0.001 0.000 0.299 157 F C 2.507 178.508 175.800 0.334 0.000 1.090 157 F CA 1.062 59.212 58.000 0.251 0.000 1.307 157 F CB -1.175 37.961 39.000 0.227 0.000 1.019 157 F HN -0.046 nan 8.300 nan 0.000 0.489 158 A N 0.099 123.165 122.820 0.410 0.000 1.940 158 A HA -0.227 4.094 4.320 0.001 0.000 0.219 158 A C 2.201 179.984 177.584 0.331 0.000 1.176 158 A CA 1.793 54.027 52.037 0.327 0.000 0.631 158 A CB -0.595 18.509 19.000 0.174 0.000 0.814 158 A HN 0.371 nan 8.150 nan 0.000 0.446 159 K N -0.806 119.751 120.400 0.262 0.000 2.155 159 K HA -0.040 4.281 4.320 0.001 0.000 0.203 159 K C 2.251 178.973 176.600 0.204 0.000 1.052 159 K CA 1.001 57.420 56.287 0.220 0.000 0.948 159 K CB -0.124 32.485 32.500 0.182 0.000 0.728 159 K HN 0.385 nan 8.250 nan 0.000 0.448 160 R N -0.076 120.535 120.500 0.185 0.000 2.066 160 R HA -0.097 4.244 4.340 0.001 0.000 0.232 160 R C 2.110 178.466 176.300 0.094 0.000 1.131 160 R CA 1.383 57.536 56.100 0.088 0.000 0.955 160 R CB -0.351 29.960 30.300 0.019 0.000 0.851 160 R HN 0.196 nan 8.270 nan 0.000 0.432 161 Y N 1.324 121.738 120.300 0.190 0.000 2.114 161 Y HA -0.309 4.242 4.550 0.001 0.000 0.282 161 Y C 2.557 178.648 175.900 0.318 0.000 1.165 161 Y CA 1.862 60.104 58.100 0.236 0.000 1.148 161 Y CB -0.246 38.381 38.460 0.278 0.000 0.972 161 Y HN 0.019 nan 8.280 nan 0.000 0.504 162 K N 0.144 120.816 120.400 0.453 0.000 2.032 162 K HA -0.224 4.097 4.320 0.001 0.000 0.209 162 K C 2.223 178.991 176.600 0.280 0.000 1.048 162 K CA 1.471 58.003 56.287 0.409 0.000 0.927 162 K CB -0.399 32.318 32.500 0.361 0.000 0.712 162 K HN 0.248 nan 8.250 nan 0.000 0.441 163 A N 0.544 123.479 122.820 0.191 0.000 2.070 163 A HA -0.045 4.276 4.320 0.001 0.000 0.220 163 A C 2.195 179.798 177.584 0.033 0.000 1.159 163 A CA 1.699 53.802 52.037 0.110 0.000 0.656 163 A CB -0.598 18.448 19.000 0.076 0.000 0.800 163 A HN 0.521 nan 8.150 nan 0.000 0.453 164 A N -1.632 121.176 122.820 -0.020 0.000 1.975 164 A HA 0.228 4.549 4.320 0.001 0.000 0.215 164 A C 1.795 179.200 177.584 -0.298 0.000 1.170 164 A CA 0.912 52.843 52.037 -0.177 0.000 0.656 164 A CB -0.499 18.330 19.000 -0.285 0.000 0.821 164 A HN 0.431 nan 8.150 nan 0.000 0.449 165 F N 0.307 120.097 119.950 -0.267 0.000 2.293 165 F HA -0.045 4.483 4.527 0.001 0.000 0.297 165 F C 2.657 178.203 175.800 -0.423 0.000 1.089 165 F CA 1.700 59.353 58.000 -0.578 0.000 1.377 165 F CB -0.585 37.580 39.000 -1.392 0.000 1.051 165 F HN 0.105 nan 8.300 nan 0.000 0.511 166 T N -0.687 113.866 114.554 -0.001 0.000 2.708 166 T HA -0.228 4.122 4.350 0.001 0.000 0.266 166 T C 1.915 176.676 174.700 0.101 0.000 1.037 166 T CA 1.630 63.850 62.100 0.199 0.000 1.146 166 T CB -0.289 68.720 68.868 0.235 0.000 0.865 166 T HN 0.322 nan 8.240 nan 0.000 0.435 167 E N -0.354 119.866 120.200 0.033 0.000 2.106 167 E HA -0.117 4.234 4.350 0.001 0.000 0.192 167 E C 1.996 178.586 176.600 -0.017 0.000 0.984 167 E CA 1.042 57.447 56.400 0.008 0.000 0.806 167 E CB -0.057 29.635 29.700 -0.014 0.000 0.750 167 E HN 0.471 nan 8.360 nan 0.000 0.458 168 c N -0.243 118.319 118.600 -0.064 0.000 2.518 168 c HA 0.089 4.660 4.570 0.001 0.000 0.283 168 c C 2.505 176.575 174.090 -0.033 0.000 1.351 168 c CA -0.254 56.029 56.329 -0.076 0.000 1.745 168 c CB -0.569 41.847 42.510 -0.156 0.000 2.107 168 c HN 0.585 nan 8.230 nan 0.000 0.502 169 c N 1.028 119.627 118.600 -0.002 0.000 2.485 169 c HA -0.051 4.520 4.570 0.001 0.000 0.283 169 c C 2.375 176.509 174.090 0.072 0.000 1.478 169 c CA 0.998 57.363 56.329 0.061 0.000 1.741 169 c CB -2.087 40.514 42.510 0.152 0.000 1.675 169 c HN 0.668 nan 8.230 nan 0.000 0.573 170 Q N 0.064 119.898 119.800 0.056 0.000 2.402 170 Q HA 0.256 4.596 4.340 0.001 0.000 0.231 170 Q C 1.248 177.264 176.000 0.026 0.000 0.888 170 Q CA 0.067 55.902 55.803 0.052 0.000 0.938 170 Q CB 0.093 28.868 28.738 0.062 0.000 1.086 170 Q HN 0.599 nan 8.270 nan 0.000 0.543 171 A N 0.848 123.676 122.820 0.012 0.000 2.536 171 A HA 0.270 4.591 4.320 0.001 0.000 0.234 171 A C 1.205 178.789 177.584 0.001 0.000 1.076 171 A CA 0.690 52.727 52.037 0.001 0.000 0.769 171 A CB 0.104 19.096 19.000 -0.013 0.000 1.020 171 A HN 0.376 nan 8.150 nan 0.000 0.508 172 A N 0.453 123.272 122.820 -0.001 0.000 1.835 172 A HA -0.031 4.290 4.320 0.001 0.000 0.215 172 A C 1.091 178.672 177.584 -0.005 0.000 1.199 172 A CA 1.962 53.998 52.037 -0.002 0.000 0.615 172 A CB -0.490 18.509 19.000 -0.002 0.000 0.838 172 A HN 0.809 nan 8.150 nan 0.000 0.444 173 D N -0.634 119.761 120.400 -0.009 0.000 2.479 173 D HA 0.325 4.966 4.640 0.001 0.000 0.218 173 D C 0.910 177.199 176.300 -0.018 0.000 1.131 173 D CA -0.140 53.853 54.000 -0.011 0.000 0.916 173 D CB 0.492 41.285 40.800 -0.012 0.000 1.022 173 D HN 0.300 nan 8.370 nan 0.000 0.515 174 K N 1.793 122.184 120.400 -0.016 0.000 2.001 174 K HA -0.211 4.109 4.320 0.001 0.000 0.214 174 K C 1.906 178.482 176.600 -0.040 0.000 1.050 174 K CA 1.613 57.885 56.287 -0.025 0.000 0.934 174 K CB -0.104 32.390 32.500 -0.010 0.000 0.718 174 K HN 0.398 nan 8.250 nan 0.000 0.443 175 A N 1.524 124.328 122.820 -0.027 0.000 1.908 175 A HA -0.160 4.161 4.320 0.001 0.000 0.218 175 A C 2.388 179.949 177.584 -0.037 0.000 1.181 175 A CA 1.990 54.010 52.037 -0.030 0.000 0.627 175 A CB -0.801 18.191 19.000 -0.013 0.000 0.818 175 A HN 0.389 nan 8.150 nan 0.000 0.445 176 A N -1.558 121.244 122.820 -0.031 0.000 2.019 176 A HA -0.130 4.191 4.320 0.001 0.000 0.219 176 A C 2.310 179.869 177.584 -0.042 0.000 1.164 176 A CA 1.682 53.701 52.037 -0.031 0.000 0.644 176 A CB -1.056 17.930 19.000 -0.023 0.000 0.805 176 A HN 0.828 nan 8.150 nan 0.000 0.449 177 c N -1.818 116.750 118.600 -0.053 0.000 2.541 177 c HA 0.246 4.817 4.570 0.001 0.000 0.284 177 c C 2.344 176.371 174.090 -0.105 0.000 1.341 177 c CA 0.870 57.158 56.329 -0.069 0.000 1.732 177 c CB -1.089 41.382 42.510 -0.064 0.000 2.126 177 c HN 0.534 nan 8.230 nan 0.000 0.505 178 L N 0.962 122.106 121.223 -0.133 0.000 2.007 178 L HA 0.091 4.432 4.340 0.001 0.000 0.205 178 L C 2.273 179.045 176.870 -0.164 0.000 1.073 178 L CA 1.868 56.583 54.840 -0.208 0.000 0.744 178 L CB -1.004 40.897 42.059 -0.264 0.000 0.898 178 L HN 0.225 nan 8.230 nan 0.000 0.435 179 L N 0.630 121.791 121.223 -0.104 0.000 1.976 179 L HA -0.227 4.113 4.340 0.001 0.000 0.223 179 L C -0.410 176.423 176.870 -0.062 0.000 1.081 179 L CA 2.867 57.667 54.840 -0.066 0.000 0.784 179 L CB -2.573 39.464 42.059 -0.037 0.000 0.896 179 L HN 0.284 nan 8.230 nan 0.000 0.438 180 P HA -0.192 nan 4.420 nan 0.000 0.221 180 P C 1.211 178.473 177.300 -0.064 0.000 1.145 180 P CA 1.542 64.613 63.100 -0.047 0.000 0.795 180 P CB -0.036 31.641 31.700 -0.039 0.000 0.775 181 K N -0.529 119.811 120.400 -0.100 0.000 2.137 181 K HA 0.068 4.389 4.320 0.001 0.000 0.202 181 K C 2.353 178.861 176.600 -0.153 0.000 1.052 181 K CA 0.696 56.904 56.287 -0.133 0.000 0.961 181 K CB -0.372 32.021 32.500 -0.179 0.000 0.741 181 K HN 0.209 nan 8.250 nan 0.000 0.452 182 L N 1.359 122.504 121.223 -0.130 0.000 2.027 182 L HA -0.187 4.154 4.340 0.001 0.000 0.206 182 L C 1.893 178.756 176.870 -0.012 0.000 1.074 182 L CA 1.145 55.950 54.840 -0.058 0.000 0.745 182 L CB -0.421 41.633 42.059 -0.009 0.000 0.898 182 L HN 0.155 nan 8.230 nan 0.000 0.433 183 D N -0.239 120.151 120.400 -0.016 0.000 2.178 183 D HA -0.225 4.415 4.640 0.001 0.000 0.201 183 D C 2.003 178.304 176.300 0.002 0.000 0.980 183 D CA 1.166 55.168 54.000 0.003 0.000 0.842 183 D CB 0.044 40.844 40.800 -0.001 0.000 0.948 183 D HN 0.416 nan 8.370 nan 0.000 0.472 184 E N 0.251 120.441 120.200 -0.017 0.000 2.107 184 E HA -0.071 4.280 4.350 0.001 0.000 0.191 184 E C 2.289 178.902 176.600 0.022 0.000 0.982 184 E CA 0.212 56.610 56.400 -0.002 0.000 0.809 184 E CB 0.096 29.787 29.700 -0.016 0.000 0.756 184 E HN 0.216 nan 8.360 nan 0.000 0.459 185 L N 0.531 121.737 121.223 -0.029 0.000 2.109 185 L HA -0.086 4.255 4.340 0.001 0.000 0.207 185 L C 2.904 179.813 176.870 0.065 0.000 1.086 185 L CA 0.657 55.487 54.840 -0.017 0.000 0.760 185 L CB -0.387 41.443 42.059 -0.383 0.000 0.910 185 L HN 0.101 nan 8.230 nan 0.000 0.437 186 R N 0.566 121.106 120.500 0.067 0.000 2.070 186 R HA -0.178 4.163 4.340 0.001 0.000 0.233 186 R C 1.760 178.084 176.300 0.040 0.000 1.137 186 R CA 2.087 58.222 56.100 0.059 0.000 0.945 186 R CB -0.329 30.007 30.300 0.060 0.000 0.845 186 R HN 0.315 nan 8.270 nan 0.000 0.430 187 D N 0.569 121.002 120.400 0.055 0.000 2.106 187 D HA -0.209 4.432 4.640 0.001 0.000 0.191 187 D C 1.760 178.138 176.300 0.129 0.000 0.997 187 D CA 1.363 55.407 54.000 0.073 0.000 0.834 187 D CB -0.398 40.430 40.800 0.047 0.000 0.956 187 D HN 0.426 nan 8.370 nan 0.000 0.448 188 E N 0.072 120.373 120.200 0.169 0.000 2.171 188 E HA -0.148 4.203 4.350 0.001 0.000 0.197 188 E C 2.070 178.826 176.600 0.261 0.000 0.997 188 E CA 1.248 57.817 56.400 0.282 0.000 0.810 188 E CB -0.204 29.709 29.700 0.356 0.000 0.738 188 E HN 0.304 nan 8.360 nan 0.000 0.467 189 G N 0.474 109.295 108.800 0.034 0.000 2.403 189 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 189 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 189 G C 1.473 176.373 174.900 0.001 0.000 1.154 189 G CA 0.435 45.399 45.100 -0.227 0.000 0.784 189 G HN 0.127 nan 8.290 nan 0.000 0.538 190 K N 0.357 120.775 120.400 0.029 0.000 2.097 190 K HA 0.070 4.391 4.320 0.001 0.000 0.205 190 K C 2.898 179.565 176.600 0.112 0.000 1.050 190 K CA 0.942 57.267 56.287 0.063 0.000 0.938 190 K CB -0.130 32.410 32.500 0.067 0.000 0.718 190 K HN 0.262 nan 8.250 nan 0.000 0.442 191 A N 0.475 123.389 122.820 0.157 0.000 1.873 191 A HA -0.154 4.167 4.320 0.001 0.000 0.215 191 A C 2.145 179.808 177.584 0.130 0.000 1.186 191 A CA 1.944 54.084 52.037 0.172 0.000 0.616 191 A CB -0.681 18.483 19.000 0.272 0.000 0.823 191 A HN 0.284 nan 8.150 nan 0.000 0.442 192 S N -0.702 115.106 115.700 0.181 0.000 2.368 192 S HA -0.147 4.323 4.470 0.001 0.000 0.225 192 S C 2.327 176.925 174.600 -0.004 0.000 1.030 192 S CA 1.936 60.219 58.200 0.139 0.000 0.999 192 S CB -0.479 62.913 63.200 0.321 0.000 0.844 192 S HN 0.601 nan 8.310 nan 0.000 0.459 193 S N 0.875 116.619 115.700 0.073 0.000 2.351 193 S HA -0.061 4.410 4.470 0.001 0.000 0.220 193 S C 2.162 176.776 174.600 0.024 0.000 1.035 193 S CA 1.602 59.828 58.200 0.044 0.000 1.031 193 S CB -0.958 62.345 63.200 0.172 0.000 0.928 193 S HN 0.729 nan 8.310 nan 0.000 0.433 194 A N 1.041 123.892 122.820 0.052 0.000 1.908 194 A HA -0.115 4.206 4.320 0.001 0.000 0.218 194 A C 2.272 179.858 177.584 0.004 0.000 1.181 194 A CA 2.043 54.102 52.037 0.036 0.000 0.627 194 A CB -0.849 18.182 19.000 0.051 0.000 0.818 194 A HN 0.547 nan 8.150 nan 0.000 0.445 195 K N -0.866 119.532 120.400 -0.004 0.000 2.211 195 K HA -0.066 4.254 4.320 0.001 0.000 0.203 195 K C 2.241 178.808 176.600 -0.056 0.000 1.050 195 K CA 1.387 57.654 56.287 -0.033 0.000 0.945 195 K CB -0.454 32.033 32.500 -0.022 0.000 0.732 195 K HN 0.799 nan 8.250 nan 0.000 0.451 196 Q N 0.154 119.921 119.800 -0.056 0.000 2.020 196 Q HA 0.008 4.349 4.340 0.001 0.000 0.198 196 Q C 2.383 178.349 176.000 -0.057 0.000 0.974 196 Q CA 1.458 57.223 55.803 -0.064 0.000 0.829 196 Q CB -0.005 28.659 28.738 -0.123 0.000 0.894 196 Q HN 0.344 nan 8.270 nan 0.000 0.433 197 R N -0.115 120.358 120.500 -0.045 0.000 2.148 197 R HA -0.120 4.221 4.340 0.001 0.000 0.227 197 R C 2.186 178.449 176.300 -0.063 0.000 1.103 197 R CA 0.577 56.645 56.100 -0.053 0.000 0.983 197 R CB -0.193 30.093 30.300 -0.024 0.000 0.874 197 R HN 0.194 nan 8.270 nan 0.000 0.451 198 L N 1.634 122.826 121.223 -0.053 0.000 2.017 198 L HA -0.159 4.182 4.340 0.001 0.000 0.208 198 L C 1.774 178.594 176.870 -0.083 0.000 1.073 198 L CA 1.856 56.664 54.840 -0.053 0.000 0.745 198 L CB -0.322 41.709 42.059 -0.048 0.000 0.894 198 L HN -0.033 nan 8.230 nan 0.000 0.432 199 K N -1.634 118.690 120.400 -0.127 0.000 2.097 199 K HA -0.170 4.151 4.320 0.001 0.000 0.206 199 K C 2.129 178.644 176.600 -0.141 0.000 1.049 199 K CA 1.582 57.770 56.287 -0.165 0.000 0.933 199 K CB -0.426 31.947 32.500 -0.212 0.000 0.717 199 K HN 0.413 nan 8.250 nan 0.000 0.442 200 c N 0.441 118.965 118.600 -0.127 0.000 2.446 200 c HA -0.020 4.551 4.570 0.001 0.000 0.277 200 c C 2.898 176.905 174.090 -0.139 0.000 1.275 200 c CA 0.698 56.941 56.329 -0.142 0.000 1.727 200 c CB -0.811 41.620 42.510 -0.132 0.000 2.010 200 c HN 0.539 nan 8.230 nan 0.000 0.486 201 A N 0.694 123.440 122.820 -0.122 0.000 1.940 201 A HA -0.162 4.159 4.320 0.001 0.000 0.219 201 A C 2.237 179.721 177.584 -0.167 0.000 1.176 201 A CA 2.369 54.324 52.037 -0.137 0.000 0.631 201 A CB -0.673 18.265 19.000 -0.103 0.000 0.814 201 A HN 0.582 nan 8.150 nan 0.000 0.446 202 S N -0.519 115.136 115.700 -0.075 0.000 2.371 202 S HA -0.058 4.413 4.470 0.001 0.000 0.224 202 S C 1.849 176.465 174.600 0.026 0.000 1.029 202 S CA 1.140 59.371 58.200 0.052 0.000 0.978 202 S CB -0.449 62.878 63.200 0.210 0.000 0.833 202 S HN 0.532 nan 8.310 nan 0.000 0.466 203 L N 1.328 122.531 121.223 -0.034 0.000 2.131 203 L HA -0.214 4.127 4.340 0.001 0.000 0.210 203 L C 2.989 179.806 176.870 -0.088 0.000 1.092 203 L CA 1.696 56.493 54.840 -0.072 0.000 0.759 203 L CB -0.653 41.252 42.059 -0.258 0.000 0.903 203 L HN 0.499 nan 8.230 nan 0.000 0.435 204 Q N -0.487 119.234 119.800 -0.133 0.000 2.089 204 Q HA -0.149 4.192 4.340 0.001 0.000 0.195 204 Q C 2.276 178.170 176.000 -0.177 0.000 0.963 204 Q CA 1.638 57.358 55.803 -0.139 0.000 0.834 204 Q CB -0.525 28.125 28.738 -0.145 0.000 0.906 204 Q HN 0.486 nan 8.270 nan 0.000 0.452 205 K N 0.045 120.258 120.400 -0.311 0.000 1.992 205 K HA 0.093 4.414 4.320 0.001 0.000 0.210 205 K C 1.874 178.262 176.600 -0.353 0.000 1.036 205 K CA 1.052 57.062 56.287 -0.463 0.000 0.946 205 K CB -0.941 31.017 32.500 -0.904 0.000 0.742 205 K HN 0.678 nan 8.250 nan 0.000 0.442 206 F N 1.234 121.186 119.950 0.004 0.000 2.722 206 F HA 0.275 4.805 4.527 0.005 0.000 0.298 206 F C 1.537 177.356 175.800 0.032 0.000 1.175 206 F CA 0.388 58.400 58.000 0.020 0.000 1.462 206 F CB -1.372 37.644 39.000 0.027 0.000 1.111 206 F HN 0.470 nan 8.300 nan 0.000 0.592 207 G N 0.315 109.189 108.800 0.122 0.000 2.814 207 G HA2 -0.298 3.663 3.960 0.001 0.000 0.677 207 G HA3 -0.298 3.663 3.960 0.001 0.000 0.677 207 G C 0.531 175.513 174.900 0.138 0.000 1.429 207 G CA -0.003 45.158 45.100 0.101 0.000 0.868 207 G HN 0.295 nan 8.290 nan 0.000 0.553 208 E N -0.203 120.062 120.200 0.107 0.000 2.058 208 E HA -0.204 4.147 4.350 0.001 0.000 0.194 208 E C 2.555 179.273 176.600 0.197 0.000 0.997 208 E CA 1.667 58.152 56.400 0.142 0.000 0.801 208 E CB -0.087 29.670 29.700 0.095 0.000 0.746 208 E HN 0.558 nan 8.360 nan 0.000 0.450 209 R N -0.025 120.566 120.500 0.151 0.000 2.112 209 R HA -0.248 4.093 4.340 0.001 0.000 0.242 209 R C 2.250 178.642 176.300 0.152 0.000 1.137 209 R CA 1.812 57.996 56.100 0.141 0.000 0.944 209 R CB -0.470 29.898 30.300 0.113 0.000 0.857 209 R HN 0.245 nan 8.270 nan 0.000 0.435 210 A N -0.039 122.880 122.820 0.165 0.000 1.940 210 A HA -0.212 4.109 4.320 0.001 0.000 0.219 210 A C 2.033 179.722 177.584 0.174 0.000 1.176 210 A CA 1.515 53.642 52.037 0.149 0.000 0.631 210 A CB -0.786 18.316 19.000 0.170 0.000 0.814 210 A HN 0.564 nan 8.150 nan 0.000 0.446 211 F N 0.457 120.471 119.950 0.105 0.000 2.128 211 F HA -0.065 4.463 4.527 0.002 0.000 0.295 211 F C 2.155 178.052 175.800 0.163 0.000 1.100 211 F CA 1.979 60.039 58.000 0.100 0.000 1.260 211 F CB -0.186 38.825 39.000 0.020 0.000 1.009 211 F HN 0.093 nan 8.300 nan 0.000 0.476 212 K N 0.125 120.629 120.400 0.173 0.000 2.152 212 K HA -0.181 4.140 4.320 0.001 0.000 0.206 212 K C 2.233 178.838 176.600 0.008 0.000 1.048 212 K CA 1.120 57.465 56.287 0.095 0.000 0.933 212 K CB -0.476 32.113 32.500 0.148 0.000 0.721 212 K HN 0.376 nan 8.250 nan 0.000 0.447 213 A N 0.707 123.547 122.820 0.034 0.000 1.873 213 A HA -0.194 4.127 4.320 0.001 0.000 0.215 213 A C 1.922 179.475 177.584 -0.051 0.000 1.186 213 A CA 1.287 53.333 52.037 0.016 0.000 0.616 213 A CB -0.953 18.073 19.000 0.043 0.000 0.823 213 A HN 0.607 nan 8.150 nan 0.000 0.442 214 W N 0.777 121.923 121.300 -0.257 0.000 2.335 214 W HA -0.195 4.464 4.660 -0.001 0.000 0.311 214 W C 2.412 178.720 176.519 -0.352 0.000 1.213 214 W CA 2.601 59.757 57.345 -0.315 0.000 1.274 214 W CB -0.217 28.998 29.460 -0.409 0.000 1.148 214 W HN 0.358 nan 8.180 nan 0.000 0.498 215 A N -0.200 122.480 122.820 -0.233 0.000 1.902 215 A HA -0.191 4.130 4.320 0.001 0.000 0.217 215 A C 2.022 179.431 177.584 -0.291 0.000 1.181 215 A CA 2.289 54.147 52.037 -0.298 0.000 0.623 215 A CB -1.274 17.643 19.000 -0.140 0.000 0.818 215 A HN 0.222 nan 8.150 nan 0.000 0.443 216 V N -0.210 119.601 119.914 -0.172 0.000 2.343 216 V HA -0.267 3.854 4.120 0.001 0.000 0.247 216 V C 3.044 179.052 176.094 -0.144 0.000 1.051 216 V CA 2.013 64.262 62.300 -0.084 0.000 1.036 216 V CB -1.183 30.659 31.823 0.032 0.000 0.654 216 V HN 0.642 nan 8.190 nan 0.000 0.451 217 A N 0.232 122.898 122.820 -0.256 0.000 1.845 217 A HA -0.256 4.064 4.320 0.001 0.000 0.215 217 A C 2.299 179.638 177.584 -0.407 0.000 1.195 217 A CA 2.188 54.041 52.037 -0.305 0.000 0.616 217 A CB -0.607 18.180 19.000 -0.355 0.000 0.832 217 A HN 0.444 nan 8.150 nan 0.000 0.443 218 R N 0.073 120.167 120.500 -0.676 0.000 2.091 218 R HA -0.041 4.300 4.340 0.001 0.000 0.238 218 R C 1.909 177.909 176.300 -0.501 0.000 1.136 218 R CA 1.761 57.434 56.100 -0.713 0.000 0.959 218 R CB -0.873 28.692 30.300 -1.226 0.000 0.856 218 R HN 0.530 nan 8.270 nan 0.000 0.437 219 L N -0.315 120.658 121.223 -0.418 0.000 2.141 219 L HA -0.084 4.257 4.340 0.001 0.000 0.209 219 L C 2.091 178.812 176.870 -0.250 0.000 1.094 219 L CA 1.354 55.985 54.840 -0.348 0.000 0.763 219 L CB -0.282 41.693 42.059 -0.139 0.000 0.908 219 L HN 0.215 nan 8.230 nan 0.000 0.437 220 S N -0.773 114.854 115.700 -0.121 0.000 2.428 220 S HA -0.133 4.338 4.470 0.001 0.000 0.230 220 S C 1.875 176.414 174.600 -0.101 0.000 1.014 220 S CA 0.802 59.014 58.200 0.018 0.000 0.957 220 S CB 0.004 63.279 63.200 0.124 0.000 0.784 220 S HN 0.462 nan 8.310 nan 0.000 0.499 221 Q N 0.645 120.326 119.800 -0.199 0.000 2.123 221 Q HA 0.023 4.364 4.340 0.001 0.000 0.199 221 Q C 2.356 178.231 176.000 -0.209 0.000 0.966 221 Q CA 0.838 56.522 55.803 -0.198 0.000 0.845 221 Q CB -0.105 28.503 28.738 -0.217 0.000 0.907 221 Q HN 0.362 nan 8.270 nan 0.000 0.439 222 R N -0.186 120.108 120.500 -0.344 0.000 2.090 222 R HA -0.040 4.300 4.340 0.001 0.000 0.228 222 R C -0.085 176.042 176.300 -0.288 0.000 1.110 222 R CA 0.782 56.601 56.100 -0.468 0.000 0.973 222 R CB 0.393 30.173 30.300 -0.867 0.000 0.869 222 R HN 0.094 nan 8.270 nan 0.000 0.440 223 F N 0.643 120.583 119.950 -0.018 0.000 2.523 223 F HA 0.354 4.883 4.527 0.002 0.000 0.322 223 F C -1.759 174.063 175.800 0.037 0.000 1.361 223 F CA -3.225 54.780 58.000 0.007 0.000 1.151 223 F CB 1.358 40.369 39.000 0.018 0.000 1.391 223 F HN -0.061 nan 8.300 nan 0.000 0.566 224 P HA -0.185 nan 4.420 nan 0.000 0.219 224 P C 0.959 178.325 177.300 0.109 0.000 1.146 224 P CA 1.470 64.612 63.100 0.070 0.000 0.808 224 P CB 0.384 32.069 31.700 -0.026 0.000 0.779 225 K N -0.397 120.073 120.400 0.117 0.000 2.366 225 K HA 0.174 4.494 4.320 0.001 0.000 0.198 225 K C 1.282 177.960 176.600 0.130 0.000 1.044 225 K CA 0.013 56.358 56.287 0.097 0.000 0.973 225 K CB -0.137 32.397 32.500 0.056 0.000 0.767 225 K HN 0.092 nan 8.250 nan 0.000 0.475 226 A N 1.847 124.770 122.820 0.172 0.000 2.425 226 A HA 0.037 4.358 4.320 0.001 0.000 0.242 226 A C -0.070 177.616 177.584 0.169 0.000 1.077 226 A CA -0.249 51.869 52.037 0.135 0.000 0.781 226 A CB 0.267 19.346 19.000 0.132 0.000 1.020 226 A HN 0.143 nan 8.150 nan 0.000 0.494 227 E N 0.042 120.287 120.200 0.076 0.000 2.383 227 E HA 0.265 4.615 4.350 0.001 0.000 0.264 227 E C 0.422 176.948 176.600 -0.123 0.000 1.050 227 E CA -0.119 56.312 56.400 0.053 0.000 0.896 227 E CB 0.310 30.032 29.700 0.036 0.000 0.982 227 E HN 0.494 nan 8.360 nan 0.000 0.424 228 F N 3.497 123.205 119.950 -0.403 0.000 2.269 228 F HA -0.084 4.444 4.527 0.002 0.000 0.301 228 F C 1.655 177.286 175.800 -0.282 0.000 1.082 228 F CA 1.695 59.282 58.000 -0.688 0.000 1.360 228 F CB -0.087 38.535 39.000 -0.630 0.000 1.041 228 F HN 0.533 nan 8.300 nan 0.000 0.512 229 A N -0.582 122.109 122.820 -0.214 0.000 2.066 229 A HA -0.103 4.218 4.320 0.001 0.000 0.218 229 A C 2.010 179.473 177.584 -0.202 0.000 1.157 229 A CA 1.481 53.397 52.037 -0.202 0.000 0.670 229 A CB -0.605 18.380 19.000 -0.025 0.000 0.804 229 A HN 0.435 nan 8.150 nan 0.000 0.453 230 E N -0.340 119.765 120.200 -0.158 0.000 2.122 230 E HA -0.030 4.321 4.350 0.001 0.000 0.190 230 E C 1.699 178.239 176.600 -0.101 0.000 0.977 230 E CA 1.136 57.493 56.400 -0.073 0.000 0.820 230 E CB -0.202 29.484 29.700 -0.023 0.000 0.770 230 E HN 0.195 nan 8.360 nan 0.000 0.462 231 V N 0.365 120.158 119.914 -0.202 0.000 2.626 231 V HA -0.157 3.964 4.120 0.001 0.000 0.252 231 V C 2.083 178.025 176.094 -0.253 0.000 1.067 231 V CA 1.743 63.944 62.300 -0.166 0.000 1.081 231 V CB -0.295 31.417 31.823 -0.186 0.000 0.686 231 V HN 0.223 nan 8.190 nan 0.000 0.468 232 S N -0.627 114.801 115.700 -0.454 0.000 2.395 232 S HA -0.122 4.349 4.470 0.001 0.000 0.225 232 S C 2.085 176.578 174.600 -0.178 0.000 1.027 232 S CA 0.864 58.835 58.200 -0.382 0.000 0.965 232 S CB -0.210 62.667 63.200 -0.538 0.000 0.812 232 S HN 0.430 nan 8.310 nan 0.000 0.482 233 K N 1.939 122.247 120.400 -0.153 0.000 2.002 233 K HA -0.016 4.305 4.320 0.001 0.000 0.209 233 K C 1.940 178.496 176.600 -0.074 0.000 1.048 233 K CA 1.299 57.524 56.287 -0.104 0.000 0.930 233 K CB -0.704 31.744 32.500 -0.088 0.000 0.714 233 K HN 0.357 nan 8.250 nan 0.000 0.438 234 L N 0.684 121.893 121.223 -0.023 0.000 2.083 234 L HA -0.165 4.176 4.340 0.001 0.000 0.209 234 L C 2.536 179.446 176.870 0.066 0.000 1.083 234 L CA 0.778 55.647 54.840 0.047 0.000 0.752 234 L CB -0.488 41.650 42.059 0.131 0.000 0.899 234 L HN -0.082 nan 8.230 nan 0.000 0.433 235 V N -0.562 119.373 119.914 0.035 0.000 2.427 235 V HA -0.251 3.870 4.120 0.001 0.000 0.248 235 V C 2.543 178.699 176.094 0.105 0.000 1.051 235 V CA 2.232 64.574 62.300 0.070 0.000 1.048 235 V CB -0.665 31.168 31.823 0.016 0.000 0.666 235 V HN 0.476 nan 8.190 nan 0.000 0.456 236 T N -0.309 114.274 114.554 0.047 0.000 2.737 236 T HA -0.167 4.184 4.350 0.001 0.000 0.265 236 T C 1.647 176.380 174.700 0.056 0.000 1.038 236 T CA 1.680 63.809 62.100 0.048 0.000 1.144 236 T CB -0.343 68.525 68.868 -0.000 0.000 0.866 236 T HN 0.460 nan 8.240 nan 0.000 0.434 237 D N 0.911 121.326 120.400 0.026 0.000 2.144 237 D HA -0.012 4.629 4.640 0.001 0.000 0.200 237 D C 1.947 178.299 176.300 0.087 0.000 0.978 237 D CA 0.438 54.450 54.000 0.021 0.000 0.833 237 D CB -0.421 40.359 40.800 -0.034 0.000 0.961 237 D HN 0.167 nan 8.370 nan 0.000 0.470 238 L N 0.562 121.878 121.223 0.156 0.000 2.141 238 L HA -0.064 4.277 4.340 0.001 0.000 0.209 238 L C 2.005 179.101 176.870 0.376 0.000 1.094 238 L CA 1.535 56.541 54.840 0.275 0.000 0.763 238 L CB -0.662 41.598 42.059 0.336 0.000 0.908 238 L HN -0.084 nan 8.230 nan 0.000 0.437 239 T N -0.711 114.029 114.554 0.311 0.000 2.812 239 T HA -0.184 4.167 4.350 0.001 0.000 0.264 239 T C 1.866 176.614 174.700 0.080 0.000 1.042 239 T CA 1.549 63.800 62.100 0.252 0.000 1.140 239 T CB -0.089 68.934 68.868 0.259 0.000 0.870 239 T HN 0.324 nan 8.240 nan 0.000 0.445 240 K N 0.867 121.310 120.400 0.072 0.000 2.057 240 K HA -0.074 4.247 4.320 0.001 0.000 0.207 240 K C 2.205 178.809 176.600 0.007 0.000 1.049 240 K CA 0.983 57.284 56.287 0.024 0.000 0.931 240 K CB -0.334 32.177 32.500 0.019 0.000 0.714 240 K HN 0.098 nan 8.250 nan 0.000 0.440 241 V N 1.454 121.377 119.914 0.015 0.000 2.282 241 V HA -0.296 3.825 4.120 0.001 0.000 0.249 241 V C 2.350 178.359 176.094 -0.142 0.000 1.057 241 V CA 2.003 64.266 62.300 -0.061 0.000 1.032 241 V CB -0.671 31.099 31.823 -0.088 0.000 0.645 241 V HN 0.471 nan 8.190 nan 0.000 0.447 242 H N -0.386 118.615 119.070 -0.114 0.000 2.389 242 H HA -0.118 4.440 4.556 0.002 0.000 0.299 242 H C 2.479 177.685 175.328 -0.204 0.000 1.081 242 H CA 1.951 57.873 56.048 -0.209 0.000 1.345 242 H CB -0.315 29.195 29.762 -0.419 0.000 1.393 242 H HN 0.426 nan 8.280 nan 0.000 0.520 243 T N 0.938 115.444 114.554 -0.081 0.000 2.622 243 T HA -0.148 4.203 4.350 0.001 0.000 0.266 243 T C 1.889 176.584 174.700 -0.008 0.000 1.047 243 T CA 1.514 63.567 62.100 -0.078 0.000 1.159 243 T CB -0.172 68.652 68.868 -0.073 0.000 0.863 243 T HN 0.489 nan 8.240 nan 0.000 0.422 244 E N -0.075 120.130 120.200 0.008 0.000 2.150 244 E HA -0.094 4.257 4.350 0.001 0.000 0.193 244 E C 2.416 179.069 176.600 0.088 0.000 0.985 244 E CA 0.996 57.441 56.400 0.076 0.000 0.814 244 E CB -0.215 29.520 29.700 0.058 0.000 0.752 244 E HN 0.471 nan 8.360 nan 0.000 0.466 245 c N -0.019 118.582 118.600 0.002 0.000 2.446 245 c HA -0.053 4.518 4.570 0.001 0.000 0.279 245 c C 2.684 176.804 174.090 0.051 0.000 1.366 245 c CA -0.085 56.239 56.329 -0.009 0.000 1.763 245 c CB -0.674 41.735 42.510 -0.168 0.000 1.929 245 c HN 0.594 nan 8.230 nan 0.000 0.509 246 c N -0.927 117.693 118.600 0.034 0.000 2.467 246 c HA -0.042 4.529 4.570 0.001 0.000 0.279 246 c C 2.597 176.747 174.090 0.100 0.000 1.347 246 c CA 0.944 57.289 56.329 0.027 0.000 1.748 246 c CB -1.631 40.851 42.510 -0.048 0.000 1.977 246 c HN 0.740 nan 8.230 nan 0.000 0.501 247 H N 0.812 119.898 119.070 0.027 0.000 2.518 247 H HA 0.076 4.633 4.556 0.001 0.000 0.289 247 H C 1.781 177.209 175.328 0.166 0.000 1.051 247 H CA 1.305 57.389 56.048 0.060 0.000 1.280 247 H CB -0.457 29.331 29.762 0.043 0.000 1.380 247 H HN 0.481 nan 8.280 nan 0.000 0.566 248 G N -0.052 108.838 108.800 0.150 0.000 2.175 248 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 248 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 248 G C 0.090 174.969 174.900 -0.034 0.000 0.982 248 G CA 0.259 45.434 45.100 0.124 0.000 0.641 248 G HN 0.584 nan 8.290 nan 0.000 0.527 249 D N 1.148 121.555 120.400 0.012 0.000 2.435 249 D HA 0.326 4.967 4.640 0.001 0.000 0.230 249 D C 1.799 178.155 176.300 0.093 0.000 1.215 249 D CA -0.375 53.675 54.000 0.084 0.000 0.947 249 D CB 0.513 41.416 40.800 0.173 0.000 1.048 249 D HN 0.166 nan 8.370 nan 0.000 0.512 250 L N 5.073 126.319 121.223 0.037 0.000 1.997 250 L HA -0.245 4.096 4.340 0.001 0.000 0.216 250 L C 1.814 178.691 176.870 0.011 0.000 1.074 250 L CA 1.905 56.754 54.840 0.015 0.000 0.763 250 L CB -0.624 41.370 42.059 -0.108 0.000 0.890 250 L HN 0.497 nan 8.230 nan 0.000 0.434 251 L N -0.891 120.285 121.223 -0.078 0.000 2.017 251 L HA -0.195 4.146 4.340 0.001 0.000 0.208 251 L C 2.631 179.555 176.870 0.090 0.000 1.073 251 L CA 1.529 56.324 54.840 -0.074 0.000 0.745 251 L CB -0.679 41.185 42.059 -0.326 0.000 0.894 251 L HN 0.324 nan 8.230 nan 0.000 0.432 252 E N -0.254 120.054 120.200 0.179 0.000 2.051 252 E HA -0.241 4.110 4.350 0.001 0.000 0.192 252 E C 2.276 178.947 176.600 0.118 0.000 0.991 252 E CA 1.537 58.041 56.400 0.175 0.000 0.799 252 E CB -0.570 29.240 29.700 0.185 0.000 0.748 252 E HN 0.465 nan 8.360 nan 0.000 0.449 253 c N 0.221 118.890 118.600 0.114 0.000 2.393 253 c HA -0.145 4.426 4.570 0.001 0.000 0.276 253 c C 2.772 176.926 174.090 0.106 0.000 1.215 253 c CA 1.819 58.197 56.329 0.081 0.000 1.743 253 c CB -1.396 41.176 42.510 0.103 0.000 2.044 253 c HN 0.542 nan 8.230 nan 0.000 0.464 254 A N 0.358 123.292 122.820 0.190 0.000 1.892 254 A HA -0.215 4.106 4.320 0.001 0.000 0.218 254 A C 1.877 179.544 177.584 0.139 0.000 1.188 254 A CA 2.460 54.626 52.037 0.215 0.000 0.631 254 A CB -0.916 18.171 19.000 0.145 0.000 0.822 254 A HN 0.676 nan 8.150 nan 0.000 0.447 255 D N 0.180 120.646 120.400 0.111 0.000 2.117 255 D HA -0.120 4.521 4.640 0.001 0.000 0.197 255 D C 1.426 177.776 176.300 0.083 0.000 0.987 255 D CA 1.441 55.502 54.000 0.101 0.000 0.829 255 D CB -0.425 40.435 40.800 0.101 0.000 0.961 255 D HN 0.416 nan 8.370 nan 0.000 0.460 256 D N 0.207 120.646 120.400 0.065 0.000 2.144 256 D HA -0.081 4.560 4.640 0.001 0.000 0.199 256 D C 2.129 178.452 176.300 0.039 0.000 0.984 256 D CA 0.568 54.593 54.000 0.042 0.000 0.834 256 D CB -0.081 40.732 40.800 0.021 0.000 0.955 256 D HN 0.233 nan 8.370 nan 0.000 0.465 257 R N 0.569 121.091 120.500 0.037 0.000 2.092 257 R HA 0.031 4.372 4.340 0.001 0.000 0.231 257 R C 2.248 178.601 176.300 0.087 0.000 1.119 257 R CA 1.047 57.170 56.100 0.039 0.000 0.970 257 R CB -0.159 30.150 30.300 0.015 0.000 0.864 257 R HN 0.088 nan 8.270 nan 0.000 0.440 258 A N 1.477 124.359 122.820 0.104 0.000 1.873 258 A HA -0.163 4.158 4.320 0.001 0.000 0.215 258 A C 1.621 179.268 177.584 0.104 0.000 1.186 258 A CA 1.478 53.581 52.037 0.111 0.000 0.616 258 A CB -0.314 18.755 19.000 0.115 0.000 0.823 258 A HN 0.142 nan 8.150 nan 0.000 0.442 259 D N -0.290 120.166 120.400 0.093 0.000 2.104 259 D HA -0.155 4.486 4.640 0.001 0.000 0.194 259 D C 1.850 178.216 176.300 0.110 0.000 0.994 259 D CA 1.482 55.537 54.000 0.092 0.000 0.830 259 D CB -0.356 40.483 40.800 0.065 0.000 0.959 259 D HN 0.332 nan 8.370 nan 0.000 0.452 260 L N 0.972 122.252 121.223 0.095 0.000 2.083 260 L HA -0.044 4.297 4.340 0.001 0.000 0.209 260 L C 2.109 179.075 176.870 0.159 0.000 1.083 260 L CA 1.624 56.534 54.840 0.117 0.000 0.752 260 L CB -0.781 41.330 42.059 0.086 0.000 0.899 260 L HN -0.057 nan 8.230 nan 0.000 0.433 261 A N 0.096 122.992 122.820 0.126 0.000 1.968 261 A HA -0.195 4.126 4.320 0.001 0.000 0.217 261 A C 2.253 179.894 177.584 0.095 0.000 1.169 261 A CA 1.595 53.699 52.037 0.111 0.000 0.638 261 A CB -0.525 18.538 19.000 0.105 0.000 0.812 261 A HN 0.657 nan 8.150 nan 0.000 0.446 262 K N -1.888 118.575 120.400 0.106 0.000 2.103 262 K HA -0.162 4.159 4.320 0.001 0.000 0.204 262 K C 1.996 178.640 176.600 0.074 0.000 1.052 262 K CA 1.477 57.813 56.287 0.081 0.000 0.945 262 K CB -0.632 31.921 32.500 0.089 0.000 0.722 262 K HN 0.358 nan 8.250 nan 0.000 0.443 263 Y N 2.352 122.659 120.300 0.012 0.000 2.070 263 Y HA -0.193 4.358 4.550 0.001 0.000 0.280 263 Y C 1.995 177.881 175.900 -0.024 0.000 1.148 263 Y CA 1.662 59.761 58.100 -0.002 0.000 1.125 263 Y CB -0.235 38.227 38.460 0.003 0.000 0.975 263 Y HN -0.047 nan 8.280 nan 0.000 0.492 264 I N -0.918 119.663 120.570 0.018 0.000 2.194 264 I HA -0.431 3.739 4.170 0.001 0.000 0.246 264 I C 2.484 178.491 176.117 -0.183 0.000 1.093 264 I CA 1.480 62.714 61.300 -0.110 0.000 1.355 264 I CB -0.687 37.308 38.000 -0.009 0.000 1.046 264 I HN 0.387 nan 8.210 nan 0.000 0.413 265 c N 0.542 119.078 118.600 -0.106 0.000 2.446 265 c HA -0.106 4.465 4.570 0.001 0.000 0.277 265 c C 2.584 176.599 174.090 -0.125 0.000 1.275 265 c CA 0.614 56.887 56.329 -0.094 0.000 1.727 265 c CB -0.981 41.506 42.510 -0.038 0.000 2.010 265 c HN 0.486 nan 8.230 nan 0.000 0.486 266 E N 0.526 120.636 120.200 -0.151 0.000 2.268 266 E HA -0.106 4.245 4.350 0.001 0.000 0.195 266 E C 0.910 177.382 176.600 -0.214 0.000 0.995 266 E CA 0.823 57.131 56.400 -0.154 0.000 0.836 266 E CB -0.242 29.378 29.700 -0.135 0.000 0.763 266 E HN 0.750 nan 8.360 nan 0.000 0.491 267 N N 0.625 119.133 118.700 -0.320 0.000 2.235 267 N HA -0.012 4.729 4.740 0.001 0.000 0.231 267 N C 1.280 176.641 175.510 -0.248 0.000 1.177 267 N CA -0.121 52.740 53.050 -0.314 0.000 0.874 267 N CB 0.495 38.686 38.487 -0.493 0.000 1.097 267 N HN 0.172 nan 8.380 nan 0.000 0.518 268 Q N 1.537 121.211 119.800 -0.209 0.000 2.197 268 Q HA -0.223 4.118 4.340 0.001 0.000 0.207 268 Q C 0.934 176.844 176.000 -0.151 0.000 0.984 268 Q CA 1.788 57.479 55.803 -0.186 0.000 0.869 268 Q CB -0.367 28.289 28.738 -0.136 0.000 0.906 268 Q HN 0.351 nan 8.270 nan 0.000 0.426 269 D N 1.291 121.620 120.400 -0.119 0.000 2.350 269 D HA -0.119 4.522 4.640 0.001 0.000 0.216 269 D C 1.101 177.352 176.300 -0.083 0.000 0.968 269 D CA 1.203 55.151 54.000 -0.086 0.000 0.894 269 D CB -0.043 40.716 40.800 -0.067 0.000 0.909 269 D HN 0.403 nan 8.370 nan 0.000 0.520 270 S N -1.075 114.560 115.700 -0.108 0.000 2.711 270 S HA 0.409 4.880 4.470 0.001 0.000 0.247 270 S C 0.917 175.451 174.600 -0.110 0.000 1.079 270 S CA -0.698 57.451 58.200 -0.085 0.000 1.050 270 S CB -0.374 62.782 63.200 -0.074 0.000 0.885 270 S HN 0.260 nan 8.310 nan 0.000 0.498 271 I N -0.482 119.989 120.570 -0.165 0.000 3.859 271 I HA 0.360 4.531 4.170 0.001 0.000 0.266 271 I C 0.477 176.446 176.117 -0.247 0.000 1.132 271 I CA -0.052 61.086 61.300 -0.271 0.000 1.361 271 I CB 0.870 38.576 38.000 -0.491 0.000 1.690 271 I HN 0.352 nan 8.210 nan 0.000 0.424 272 S N -0.428 115.136 115.700 -0.226 0.000 2.565 272 S HA 0.314 4.785 4.470 0.001 0.000 0.269 272 S C 0.218 174.784 174.600 -0.056 0.000 1.153 272 S CA 0.082 58.235 58.200 -0.080 0.000 0.835 272 S CB 1.579 64.771 63.200 -0.014 0.000 1.122 272 S HN 0.243 nan 8.310 nan 0.000 0.462 273 S N 1.778 117.473 115.700 -0.008 0.000 2.517 273 S HA 0.223 4.694 4.470 0.001 0.000 0.214 273 S C 0.879 175.477 174.600 -0.002 0.000 0.991 273 S CA -0.280 57.913 58.200 -0.013 0.000 0.906 273 S CB -0.094 63.103 63.200 -0.006 0.000 0.789 273 S HN 0.600 nan 8.310 nan 0.000 0.513 274 K N 1.426 121.838 120.400 0.019 0.000 2.487 274 K HA 0.298 4.619 4.320 0.001 0.000 0.192 274 K C 1.058 177.670 176.600 0.020 0.000 1.027 274 K CA 0.175 56.477 56.287 0.026 0.000 1.054 274 K CB -0.296 32.235 32.500 0.051 0.000 0.824 274 K HN 0.459 nan 8.250 nan 0.000 0.510 275 L N 0.708 121.931 121.223 0.000 0.000 2.591 275 L HA -0.012 4.329 4.340 0.001 0.000 0.228 275 L C 2.635 179.493 176.870 -0.020 0.000 1.133 275 L CA 0.379 55.212 54.840 -0.013 0.000 0.880 275 L CB -0.657 41.367 42.059 -0.059 0.000 1.033 275 L HN 0.090 nan 8.230 nan 0.000 0.450 276 K N 0.857 121.247 120.400 -0.018 0.000 2.002 276 K HA -0.222 4.099 4.320 0.001 0.000 0.209 276 K C 1.884 178.478 176.600 -0.011 0.000 1.048 276 K CA 1.759 58.035 56.287 -0.017 0.000 0.930 276 K CB -0.721 31.770 32.500 -0.015 0.000 0.714 276 K HN 0.507 nan 8.250 nan 0.000 0.438 277 E N -0.089 120.107 120.200 -0.007 0.000 2.013 277 E HA -0.224 4.127 4.350 0.001 0.000 0.202 277 E C 2.201 178.798 176.600 -0.005 0.000 1.018 277 E CA 1.899 58.296 56.400 -0.006 0.000 0.834 277 E CB -0.508 29.188 29.700 -0.005 0.000 0.770 277 E HN 0.562 nan 8.360 nan 0.000 0.459 278 c N 0.678 119.276 118.600 -0.004 0.000 2.375 278 c HA -0.237 4.334 4.570 0.001 0.000 0.274 278 c C 2.911 177.003 174.090 0.004 0.000 1.190 278 c CA 1.001 57.330 56.329 -0.000 0.000 1.775 278 c CB -1.219 41.296 42.510 0.008 0.000 2.067 278 c HN 0.655 nan 8.230 nan 0.000 0.463 279 c N 0.462 119.061 118.600 -0.002 0.000 2.491 279 c HA -0.026 4.545 4.570 0.001 0.000 0.277 279 c C 2.274 176.365 174.090 0.002 0.000 1.455 279 c CA 0.651 56.979 56.329 -0.001 0.000 1.758 279 c CB -1.778 40.722 42.510 -0.016 0.000 1.745 279 c HN 0.657 nan 8.230 nan 0.000 0.558 280 E N 0.634 120.835 120.200 0.001 0.000 2.099 280 E HA 0.004 4.355 4.350 0.001 0.000 0.191 280 E C 0.697 177.302 176.600 0.009 0.000 0.962 280 E CA 0.161 56.563 56.400 0.003 0.000 0.826 280 E CB 0.046 29.746 29.700 0.001 0.000 0.788 280 E HN 0.587 nan 8.360 nan 0.000 0.461 281 K N 1.821 122.225 120.400 0.007 0.000 2.584 281 K HA -0.071 4.250 4.320 0.001 0.000 0.277 281 K C -2.395 174.218 176.600 0.023 0.000 0.960 281 K CA -0.516 55.776 56.287 0.010 0.000 0.975 281 K CB -0.506 31.995 32.500 0.001 0.000 0.885 281 K HN -0.062 nan 8.250 nan 0.000 0.515 282 P HA -0.120 nan 4.420 nan 0.000 0.267 282 P C 1.002 178.339 177.300 0.062 0.000 1.200 282 P CA -0.224 62.901 63.100 0.041 0.000 0.772 282 P CB 0.398 32.126 31.700 0.046 0.000 0.855 283 L N 2.883 124.142 121.223 0.060 0.000 2.085 283 L HA -0.216 4.125 4.340 0.001 0.000 0.218 283 L C 1.419 178.362 176.870 0.123 0.000 1.080 283 L CA 2.402 57.288 54.840 0.076 0.000 0.776 283 L CB -1.263 40.827 42.059 0.053 0.000 0.891 283 L HN 0.334 nan 8.230 nan 0.000 0.437 284 L N -0.071 121.241 121.223 0.147 0.000 2.313 284 L HA -0.059 4.282 4.340 0.001 0.000 0.214 284 L C 2.451 179.544 176.870 0.373 0.000 1.119 284 L CA 1.398 56.390 54.840 0.255 0.000 0.809 284 L CB -0.350 41.854 42.059 0.242 0.000 0.933 284 L HN 0.344 nan 8.230 nan 0.000 0.449 285 E N -1.597 118.709 120.200 0.176 0.000 2.389 285 E HA -0.053 4.297 4.350 0.001 0.000 0.199 285 E C 1.772 178.398 176.600 0.043 0.000 0.978 285 E CA -0.093 56.314 56.400 0.010 0.000 0.912 285 E CB 0.305 29.953 29.700 -0.087 0.000 0.907 285 E HN 0.395 nan 8.360 nan 0.000 0.494 286 K N 0.933 121.379 120.400 0.078 0.000 2.000 286 K HA -0.203 4.118 4.320 0.001 0.000 0.218 286 K C 2.362 179.017 176.600 0.092 0.000 1.053 286 K CA 1.634 57.962 56.287 0.068 0.000 0.946 286 K CB -0.401 32.144 32.500 0.075 0.000 0.723 286 K HN -0.076 nan 8.250 nan 0.000 0.446 287 S N 0.135 115.921 115.700 0.144 0.000 2.378 287 S HA -0.275 4.196 4.470 0.001 0.000 0.229 287 S C 2.005 176.716 174.600 0.185 0.000 1.052 287 S CA 2.011 60.314 58.200 0.172 0.000 1.084 287 S CB -0.378 62.959 63.200 0.228 0.000 0.950 287 S HN 0.414 nan 8.310 nan 0.000 0.440 288 H N -0.472 118.666 119.070 0.113 0.000 2.357 288 H HA -0.017 4.540 4.556 0.002 0.000 0.301 288 H C 2.543 177.859 175.328 -0.019 0.000 1.082 288 H CA 1.790 57.875 56.048 0.061 0.000 1.342 288 H CB -0.896 28.805 29.762 -0.102 0.000 1.389 288 H HN 0.504 nan 8.280 nan 0.000 0.511 289 c N -0.083 118.484 118.600 -0.057 0.000 2.453 289 c HA -0.059 4.512 4.570 0.001 0.000 0.277 289 c C 2.750 176.810 174.090 -0.051 0.000 1.262 289 c CA 0.963 57.235 56.329 -0.094 0.000 1.718 289 c CB -1.331 41.155 42.510 -0.040 0.000 2.031 289 c HN 0.675 nan 8.230 nan 0.000 0.480 290 I N 1.515 122.093 120.570 0.015 0.000 2.286 290 I HA -0.137 4.033 4.170 0.001 0.000 0.248 290 I C 2.782 178.947 176.117 0.080 0.000 1.115 290 I CA 1.562 62.905 61.300 0.072 0.000 1.392 290 I CB -0.602 37.459 38.000 0.101 0.000 1.065 290 I HN 0.415 nan 8.210 nan 0.000 0.418 291 A N 0.005 122.844 122.820 0.032 0.000 2.066 291 A HA -0.099 4.222 4.320 0.001 0.000 0.218 291 A C 1.952 179.517 177.584 -0.031 0.000 1.157 291 A CA 1.238 53.293 52.037 0.031 0.000 0.670 291 A CB -0.155 18.868 19.000 0.039 0.000 0.804 291 A HN 0.334 nan 8.150 nan 0.000 0.453 292 E N -0.765 119.374 120.200 -0.103 0.000 2.526 292 E HA 0.149 4.500 4.350 0.001 0.000 0.208 292 E C 0.043 176.599 176.600 -0.073 0.000 0.997 292 E CA -0.226 56.105 56.400 -0.115 0.000 0.961 292 E CB 0.127 29.699 29.700 -0.214 0.000 1.030 292 E HN 0.219 nan 8.360 nan 0.000 0.483 293 V N 2.677 122.572 119.914 -0.031 0.000 2.644 293 V HA -0.123 3.997 4.120 0.001 0.000 0.305 293 V C 0.729 176.815 176.094 -0.014 0.000 1.053 293 V CA 0.473 62.775 62.300 0.004 0.000 1.186 293 V CB 0.347 32.220 31.823 0.084 0.000 0.895 293 V HN 0.200 nan 8.190 nan 0.000 0.490 294 E N 5.637 125.829 120.200 -0.013 0.000 2.436 294 E HA -0.027 4.324 4.350 0.001 0.000 0.262 294 E C 0.094 176.681 176.600 -0.022 0.000 1.063 294 E CA -0.436 55.949 56.400 -0.025 0.000 0.944 294 E CB 0.390 30.082 29.700 -0.013 0.000 0.950 294 E HN 0.797 nan 8.360 nan 0.000 0.444 295 N N 2.915 121.584 118.700 -0.051 0.000 2.492 295 N HA -0.026 4.715 4.740 0.001 0.000 0.260 295 N C -0.409 175.096 175.510 -0.008 0.000 1.215 295 N CA 0.077 53.094 53.050 -0.056 0.000 0.923 295 N CB 0.550 38.984 38.487 -0.088 0.000 1.092 295 N HN 0.476 nan 8.380 nan 0.000 0.448 296 D N 0.626 121.044 120.400 0.030 0.000 2.358 296 D HA 0.039 4.680 4.640 0.001 0.000 0.244 296 D C -0.217 176.085 176.300 0.003 0.000 1.163 296 D CA -0.166 53.859 54.000 0.042 0.000 0.945 296 D CB 0.741 41.597 40.800 0.094 0.000 1.152 296 D HN 0.259 nan 8.370 nan 0.000 0.451 297 E N 1.108 121.307 120.200 -0.002 0.000 2.360 297 E HA 0.114 4.464 4.350 0.001 0.000 0.269 297 E C 0.163 176.748 176.600 -0.026 0.000 1.022 297 E CA -0.088 56.299 56.400 -0.022 0.000 0.887 297 E CB 0.614 30.303 29.700 -0.019 0.000 0.990 297 E HN 0.443 nan 8.360 nan 0.000 0.426 298 M N 0.713 120.283 119.600 -0.051 0.000 2.255 298 M HA 0.451 4.932 4.480 0.001 0.000 0.336 298 M C -2.304 173.964 176.300 -0.053 0.000 1.135 298 M CA -1.931 53.332 55.300 -0.061 0.000 1.145 298 M CB -0.112 32.424 32.600 -0.107 0.000 1.473 298 M HN -0.054 nan 8.290 nan 0.000 0.462 299 P HA 0.070 nan 4.420 nan 0.000 0.265 299 P C -0.147 177.123 177.300 -0.050 0.000 1.187 299 P CA 0.113 63.192 63.100 -0.035 0.000 0.766 299 P CB 0.650 32.335 31.700 -0.024 0.000 0.820 300 A N 1.644 124.440 122.820 -0.040 0.000 2.030 300 A HA 0.142 4.463 4.320 0.001 0.000 0.215 300 A C 1.361 178.920 177.584 -0.042 0.000 1.164 300 A CA 1.270 53.280 52.037 -0.044 0.000 0.697 300 A CB -1.071 17.908 19.000 -0.035 0.000 0.827 300 A HN 0.589 nan 8.150 nan 0.000 0.457 301 D N 0.450 120.831 120.400 -0.032 0.000 2.639 301 D HA 0.579 5.220 4.640 0.001 0.000 0.233 301 D C -0.498 175.784 176.300 -0.029 0.000 1.161 301 D CA -0.248 53.735 54.000 -0.027 0.000 1.003 301 D CB -0.359 40.431 40.800 -0.016 0.000 1.034 301 D HN 0.315 nan 8.370 nan 0.000 0.514 302 L N 1.196 122.392 121.223 -0.045 0.000 2.333 302 L HA 0.486 4.826 4.340 0.001 0.000 0.280 302 L C -1.812 175.031 176.870 -0.046 0.000 1.004 302 L CA -1.636 53.173 54.840 -0.051 0.000 0.820 302 L CB 1.964 43.971 42.059 -0.086 0.000 1.247 302 L HN 0.286 nan 8.230 nan 0.000 0.416 303 P HA 0.010 nan 4.420 nan 0.000 0.276 303 P C -0.636 176.655 177.300 -0.016 0.000 1.264 303 P CA -0.297 62.794 63.100 -0.014 0.000 0.815 303 P CB 0.450 32.151 31.700 0.003 0.000 1.121 304 S N -0.041 115.661 115.700 0.003 0.000 2.442 304 S HA 0.182 4.653 4.470 0.001 0.000 0.297 304 S C 1.289 175.933 174.600 0.073 0.000 1.131 304 S CA -0.731 57.478 58.200 0.016 0.000 1.092 304 S CB -0.170 63.034 63.200 0.008 0.000 0.998 304 S HN 0.265 nan 8.310 nan 0.000 0.478 305 L N 4.611 125.910 121.223 0.126 0.000 2.034 305 L HA -0.218 4.123 4.340 0.001 0.000 0.217 305 L C 2.872 179.953 176.870 0.353 0.000 1.077 305 L CA 2.626 57.663 54.840 0.328 0.000 0.769 305 L CB -2.285 39.983 42.059 0.349 0.000 0.890 305 L HN 0.901 nan 8.230 nan 0.000 0.435 306 A N -0.474 122.355 122.820 0.014 0.000 2.009 306 A HA -0.256 4.065 4.320 0.001 0.000 0.222 306 A C 2.512 180.076 177.584 -0.033 0.000 1.175 306 A CA 2.261 54.133 52.037 -0.275 0.000 0.651 306 A CB -0.651 18.112 19.000 -0.395 0.000 0.815 306 A HN 0.489 nan 8.150 nan 0.000 0.459 307 A N 0.348 123.176 122.820 0.014 0.000 1.836 307 A HA -0.238 4.082 4.320 0.001 0.000 0.215 307 A C 1.718 179.294 177.584 -0.013 0.000 1.214 307 A CA 2.083 54.123 52.037 0.005 0.000 0.636 307 A CB -1.089 17.911 19.000 -0.000 0.000 0.847 307 A HN 0.481 nan 8.150 nan 0.000 0.451 308 D N -1.452 118.889 120.400 -0.098 0.000 2.264 308 D HA -0.021 4.620 4.640 0.001 0.000 0.208 308 D C 0.991 177.011 176.300 -0.467 0.000 0.966 308 D CA 1.055 54.853 54.000 -0.337 0.000 0.864 308 D CB -0.149 40.300 40.800 -0.585 0.000 0.933 308 D HN 0.499 nan 8.370 nan 0.000 0.499 309 F N -1.185 118.894 119.950 0.215 0.000 2.682 309 F HA 0.250 4.778 4.527 0.002 0.000 0.308 309 F C 1.429 177.410 175.800 0.303 0.000 1.093 309 F CA -0.101 58.086 58.000 0.311 0.000 1.244 309 F CB 0.670 39.865 39.000 0.326 0.000 1.052 309 F HN -0.163 nan 8.300 nan 0.000 0.573 310 V N -1.696 118.402 119.914 0.306 0.000 3.261 310 V HA 0.037 4.158 4.120 0.001 0.000 0.212 310 V C 1.671 177.995 176.094 0.382 0.000 1.381 310 V CA 0.282 62.772 62.300 0.317 0.000 1.322 310 V CB 0.185 32.028 31.823 0.033 0.000 1.188 310 V HN -0.031 nan 8.190 nan 0.000 0.520 311 E N 0.862 121.187 120.200 0.209 0.000 2.028 311 E HA -0.043 4.308 4.350 0.001 0.000 0.190 311 E C 1.276 177.935 176.600 0.099 0.000 0.984 311 E CA 1.030 57.538 56.400 0.179 0.000 0.800 311 E CB -0.038 29.700 29.700 0.063 0.000 0.758 311 E HN 0.408 nan 8.360 nan 0.000 0.448 312 S N -0.172 115.575 115.700 0.079 0.000 2.542 312 S HA -0.029 4.442 4.470 0.001 0.000 0.287 312 S C 0.991 175.635 174.600 0.074 0.000 1.315 312 S CA 0.811 59.034 58.200 0.039 0.000 1.037 312 S CB 0.963 64.178 63.200 0.026 0.000 0.822 312 S HN 0.278 nan 8.310 nan 0.000 0.513 313 K N 1.841 122.247 120.400 0.011 0.000 2.356 313 K HA 0.132 4.453 4.320 0.001 0.000 0.195 313 K C 0.868 177.509 176.600 0.067 0.000 1.037 313 K CA 0.935 57.235 56.287 0.021 0.000 1.014 313 K CB -0.250 nan 32.500 nan 0.000 0.815 313 K HN 0.795 nan 8.250 nan 0.000 0.507 314 D N 0.783 121.206 120.400 0.037 0.000 2.434 314 D HA 0.090 4.731 4.640 0.001 0.000 0.232 314 D C 1.272 177.554 176.300 -0.029 0.000 1.166 314 D CA 0.011 54.015 54.000 0.006 0.000 0.830 314 D CB 0.542 41.332 40.800 -0.017 0.000 0.960 314 D HN 0.111 nan 8.370 nan 0.000 0.497 315 V N 0.170 120.102 119.914 0.029 0.000 2.233 315 V HA -0.318 3.803 4.120 0.001 0.000 0.247 315 V C 2.519 178.477 176.094 -0.228 0.000 1.050 315 V CA 1.568 63.827 62.300 -0.069 0.000 1.010 315 V CB -0.403 31.372 31.823 -0.080 0.000 0.637 315 V HN 0.397 nan 8.190 nan 0.000 0.444 316 c N -0.411 118.144 118.600 -0.076 0.000 2.422 316 c HA -0.131 4.440 4.570 0.001 0.000 0.279 316 c C 2.727 176.786 174.090 -0.052 0.000 1.305 316 c CA 1.168 57.483 56.329 -0.024 0.000 1.757 316 c CB -1.062 41.488 42.510 0.068 0.000 1.962 316 c HN 0.627 nan 8.230 nan 0.000 0.499 317 K N 1.356 121.713 120.400 -0.071 0.000 2.057 317 K HA -0.135 4.185 4.320 0.001 0.000 0.206 317 K C 1.601 178.118 176.600 -0.139 0.000 1.050 317 K CA 1.686 57.928 56.287 -0.076 0.000 0.935 317 K CB -0.323 32.147 32.500 -0.050 0.000 0.715 317 K HN 0.605 nan 8.250 nan 0.000 0.439 318 N N -0.851 117.702 118.700 -0.246 0.000 2.331 318 N HA -0.154 4.587 4.740 0.001 0.000 0.180 318 N C 1.598 176.816 175.510 -0.488 0.000 1.019 318 N CA 0.653 53.495 53.050 -0.345 0.000 0.881 318 N CB -0.078 38.154 38.487 -0.425 0.000 0.972 318 N HN 0.203 nan 8.380 nan 0.000 0.435 319 Y N 1.671 121.505 120.300 -0.777 0.000 2.184 319 Y HA 0.065 4.617 4.550 0.003 0.000 0.290 319 Y C 2.237 178.033 175.900 -0.173 0.000 1.129 319 Y CA 1.077 58.858 58.100 -0.531 0.000 1.144 319 Y CB -0.526 37.685 38.460 -0.415 0.000 0.995 319 Y HN -0.023 nan 8.280 nan 0.000 0.513 320 A N -0.076 122.589 122.820 -0.258 0.000 2.121 320 A HA -0.146 4.175 4.320 0.001 0.000 0.218 320 A C 2.149 179.624 177.584 -0.183 0.000 1.154 320 A CA 1.444 53.318 52.037 -0.272 0.000 0.679 320 A CB -0.806 18.115 19.000 -0.131 0.000 0.795 320 A HN 0.651 nan 8.150 nan 0.000 0.458 321 E N -0.574 119.545 120.200 -0.135 0.000 2.208 321 E HA 0.131 4.481 4.350 0.001 0.000 0.193 321 E C 0.293 176.865 176.600 -0.046 0.000 0.988 321 E CA 0.835 57.192 56.400 -0.072 0.000 0.828 321 E CB -0.022 29.648 29.700 -0.050 0.000 0.763 321 E HN 0.507 nan 8.360 nan 0.000 0.478 322 A N 0.342 123.133 122.820 -0.050 0.000 2.601 322 A HA 0.168 4.489 4.320 0.001 0.000 0.292 322 A C 0.174 177.778 177.584 0.033 0.000 1.284 322 A CA -0.621 51.421 52.037 0.009 0.000 0.893 322 A CB 0.348 19.395 19.000 0.080 0.000 1.440 322 A HN 0.032 nan 8.150 nan 0.000 0.510 323 K N 0.382 120.716 120.400 -0.111 0.000 2.015 323 K HA -0.211 4.109 4.320 0.001 0.000 0.216 323 K C 0.878 177.596 176.600 0.197 0.000 1.052 323 K CA 2.188 58.387 56.287 -0.146 0.000 0.937 323 K CB -0.009 32.283 32.500 -0.346 0.000 0.719 323 K HN 0.652 nan 8.250 nan 0.000 0.446 324 D N 0.408 120.899 120.400 0.151 0.000 2.117 324 D HA -0.120 4.521 4.640 0.001 0.000 0.197 324 D C 2.002 178.452 176.300 0.249 0.000 0.987 324 D CA 0.851 54.969 54.000 0.197 0.000 0.829 324 D CB -0.265 40.623 40.800 0.145 0.000 0.961 324 D HN -0.045 nan 8.370 nan 0.000 0.460 325 V N 0.769 120.834 119.914 0.251 0.000 2.261 325 V HA -0.243 3.878 4.120 0.001 0.000 0.246 325 V C 2.174 178.446 176.094 0.297 0.000 1.047 325 V CA 1.335 63.812 62.300 0.296 0.000 1.015 325 V CB -0.645 31.341 31.823 0.271 0.000 0.642 325 V HN 0.078 nan 8.190 nan 0.000 0.446 326 F N 0.638 120.711 119.950 0.204 0.000 2.065 326 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 326 F C 2.104 178.099 175.800 0.325 0.000 1.112 326 F CA 1.698 59.860 58.000 0.270 0.000 1.212 326 F CB -0.502 38.724 39.000 0.376 0.000 0.975 326 F HN 0.011 nan 8.300 nan 0.000 0.476 327 L N -0.506 120.933 121.223 0.360 0.000 2.187 327 L HA -0.161 4.180 4.340 0.001 0.000 0.213 327 L C 2.691 179.672 176.870 0.186 0.000 1.100 327 L CA 1.121 56.114 54.840 0.254 0.000 0.765 327 L CB -1.439 40.800 42.059 0.300 0.000 0.904 327 L HN 0.336 nan 8.230 nan 0.000 0.437 328 G N -0.262 108.654 108.800 0.192 0.000 2.404 328 G HA2 -0.214 3.747 3.960 0.001 0.000 0.215 328 G HA3 -0.214 3.747 3.960 0.001 0.000 0.215 328 G C 1.627 176.582 174.900 0.092 0.000 1.174 328 G CA 0.443 45.685 45.100 0.236 0.000 0.780 328 G HN 0.195 nan 8.290 nan 0.000 0.537 329 M N -0.429 119.017 119.600 -0.257 0.000 2.159 329 M HA 0.056 4.537 4.480 0.001 0.000 0.263 329 M C 2.301 178.523 176.300 -0.132 0.000 1.063 329 M CA 1.013 56.063 55.300 -0.418 0.000 1.110 329 M CB -0.409 31.958 32.600 -0.390 0.000 1.374 329 M HN 0.247 nan 8.290 nan 0.000 0.411 330 F N 1.566 121.266 119.950 -0.416 0.000 2.026 330 F HA -0.214 4.313 4.527 -0.000 0.000 0.296 330 F C 2.043 177.562 175.800 -0.467 0.000 1.133 330 F CA 1.646 59.136 58.000 -0.849 0.000 1.188 330 F CB -0.598 37.942 39.000 -0.767 0.000 0.968 330 F HN -0.066 nan 8.300 nan 0.000 0.476 331 L N -0.713 120.366 121.223 -0.240 0.000 2.013 331 L HA -0.310 4.031 4.340 0.001 0.000 0.212 331 L C 2.580 179.345 176.870 -0.175 0.000 1.073 331 L CA 2.083 56.779 54.840 -0.240 0.000 0.753 331 L CB -0.898 41.137 42.059 -0.041 0.000 0.890 331 L HN 0.424 nan 8.230 nan 0.000 0.432 332 Y N 0.785 121.009 120.300 -0.127 0.000 2.128 332 Y HA -0.284 4.267 4.550 0.001 0.000 0.284 332 Y C 2.517 178.344 175.900 -0.122 0.000 1.154 332 Y CA 1.777 59.860 58.100 -0.028 0.000 1.149 332 Y CB -0.242 38.348 38.460 0.218 0.000 0.976 332 Y HN 0.174 nan 8.280 nan 0.000 0.505 333 E N -0.618 119.301 120.200 -0.468 0.000 2.047 333 E HA -0.231 4.120 4.350 0.001 0.000 0.191 333 E C 2.145 178.424 176.600 -0.534 0.000 0.987 333 E CA 1.547 57.605 56.400 -0.570 0.000 0.799 333 E CB -0.964 28.510 29.700 -0.376 0.000 0.752 333 E HN 0.602 nan 8.360 nan 0.000 0.449 334 Y N 1.124 120.983 120.300 -0.736 0.000 2.200 334 Y HA -0.142 4.410 4.550 0.003 0.000 0.290 334 Y C 2.333 177.977 175.900 -0.427 0.000 1.137 334 Y CA 1.215 58.924 58.100 -0.652 0.000 1.163 334 Y CB -0.520 37.343 38.460 -0.995 0.000 0.988 334 Y HN 0.025 nan 8.280 nan 0.000 0.518 335 A N 0.919 123.622 122.820 -0.194 0.000 1.883 335 A HA -0.242 4.079 4.320 0.001 0.000 0.217 335 A C 2.244 179.714 177.584 -0.189 0.000 1.186 335 A CA 2.082 54.017 52.037 -0.170 0.000 0.624 335 A CB -0.776 18.116 19.000 -0.180 0.000 0.822 335 A HN 0.599 nan 8.150 nan 0.000 0.444 336 R N -0.799 119.542 120.500 -0.265 0.000 2.285 336 R HA 0.024 4.365 4.340 0.001 0.000 0.213 336 R C 1.468 177.613 176.300 -0.260 0.000 1.068 336 R CA 1.332 57.279 56.100 -0.254 0.000 1.004 336 R CB -0.255 29.853 30.300 -0.320 0.000 0.873 336 R HN 0.421 nan 8.270 nan 0.000 0.467 337 R N -0.231 120.090 120.500 -0.299 0.000 2.362 337 R HA 0.173 4.514 4.340 0.001 0.000 0.227 337 R C -0.115 175.834 176.300 -0.585 0.000 0.905 337 R CA 0.101 55.967 56.100 -0.390 0.000 1.067 337 R CB 0.485 30.537 30.300 -0.414 0.000 1.078 337 R HN 0.302 nan 8.270 nan 0.000 0.516 338 H N -0.216 118.645 119.070 -0.349 0.000 2.380 338 H HA 0.181 4.740 4.556 0.004 0.000 0.231 338 H C -2.174 172.979 175.328 -0.291 0.000 1.415 338 H CA -1.782 54.003 56.048 -0.437 0.000 1.433 338 H CB 1.676 30.968 29.762 -0.782 0.000 1.544 338 H HN -0.045 nan 8.280 nan 0.000 0.503 339 P HA -0.086 nan 4.420 nan 0.000 0.229 339 P C 1.221 178.486 177.300 -0.058 0.000 1.160 339 P CA 0.750 63.782 63.100 -0.112 0.000 0.777 339 P CB 0.356 31.985 31.700 -0.118 0.000 0.814 340 D N -2.586 117.799 120.400 -0.026 0.000 2.355 340 D HA -0.102 4.539 4.640 0.001 0.000 0.218 340 D C 0.231 176.679 176.300 0.247 0.000 1.004 340 D CA 0.361 54.405 54.000 0.073 0.000 0.880 340 D CB -0.493 40.357 40.800 0.083 0.000 0.911 340 D HN 0.107 nan 8.370 nan 0.000 0.528 341 Y N 1.852 122.137 120.300 -0.023 0.000 2.335 341 Y HA 0.318 4.871 4.550 0.005 0.000 0.323 341 Y C 1.206 177.035 175.900 -0.119 0.000 1.224 341 Y CA -2.367 55.681 58.100 -0.088 0.000 1.241 341 Y CB 1.316 39.685 38.460 -0.152 0.000 1.235 341 Y HN -0.128 nan 8.280 nan 0.000 0.492 342 S N -0.187 115.509 115.700 -0.007 0.000 2.617 342 S HA 0.292 4.762 4.470 0.001 0.000 0.269 342 S C 0.961 175.503 174.600 -0.096 0.000 1.292 342 S CA -0.752 57.412 58.200 -0.060 0.000 1.010 342 S CB 1.153 64.309 63.200 -0.072 0.000 0.944 342 S HN 0.386 nan 8.310 nan 0.000 0.536 343 V N 1.731 121.571 119.914 -0.123 0.000 2.287 343 V HA -0.196 3.925 4.120 0.001 0.000 0.248 343 V C 2.620 178.626 176.094 -0.146 0.000 1.053 343 V CA 2.095 64.276 62.300 -0.199 0.000 1.027 343 V CB -1.296 30.341 31.823 -0.311 0.000 0.646 343 V HN 0.919 nan 8.190 nan 0.000 0.447 344 V N -1.396 118.475 119.914 -0.072 0.000 2.867 344 V HA -0.167 3.954 4.120 0.001 0.000 0.260 344 V C 2.275 178.285 176.094 -0.140 0.000 1.099 344 V CA 1.881 64.138 62.300 -0.072 0.000 1.122 344 V CB -0.866 30.937 31.823 -0.034 0.000 0.708 344 V HN 0.458 nan 8.190 nan 0.000 0.490 345 L N 0.124 121.237 121.223 -0.182 0.000 2.044 345 L HA 0.072 4.413 4.340 0.001 0.000 0.205 345 L C 2.298 178.974 176.870 -0.324 0.000 1.075 345 L CA 1.783 56.460 54.840 -0.272 0.000 0.747 345 L CB -0.636 41.205 42.059 -0.363 0.000 0.903 345 L HN 0.251 nan 8.230 nan 0.000 0.435 346 L N -0.940 120.111 121.223 -0.286 0.000 2.042 346 L HA -0.264 4.077 4.340 0.001 0.000 0.210 346 L C 2.547 179.228 176.870 -0.316 0.000 1.076 346 L CA 1.392 56.023 54.840 -0.349 0.000 0.749 346 L CB -0.610 41.287 42.059 -0.271 0.000 0.893 346 L HN 0.320 nan 8.230 nan 0.000 0.432 347 L N -0.906 120.186 121.223 -0.219 0.000 2.093 347 L HA -0.185 4.155 4.340 0.001 0.000 0.208 347 L C 2.783 179.561 176.870 -0.154 0.000 1.085 347 L CA 1.122 55.871 54.840 -0.152 0.000 0.755 347 L CB -0.416 41.584 42.059 -0.099 0.000 0.904 347 L HN 0.211 nan 8.230 nan 0.000 0.435 348 R N -0.154 120.232 120.500 -0.189 0.000 2.115 348 R HA -0.099 4.242 4.340 0.001 0.000 0.230 348 R C 2.258 178.428 176.300 -0.216 0.000 1.111 348 R CA 1.041 57.037 56.100 -0.175 0.000 0.976 348 R CB -0.181 30.011 30.300 -0.180 0.000 0.870 348 R HN 0.335 nan 8.270 nan 0.000 0.445 349 L N -0.355 120.640 121.223 -0.380 0.000 2.072 349 L HA -0.066 4.275 4.340 0.001 0.000 0.205 349 L C 2.630 179.320 176.870 -0.300 0.000 1.079 349 L CA 1.077 55.543 54.840 -0.622 0.000 0.752 349 L CB -0.572 40.778 42.059 -1.181 0.000 0.906 349 L HN 0.211 nan 8.230 nan 0.000 0.436 350 A N 0.305 123.040 122.820 -0.143 0.000 1.933 350 A HA -0.249 4.072 4.320 0.001 0.000 0.218 350 A C 2.388 180.004 177.584 0.054 0.000 1.175 350 A CA 1.955 54.039 52.037 0.078 0.000 0.628 350 A CB -0.403 18.644 19.000 0.079 0.000 0.814 350 A HN 0.345 nan 8.150 nan 0.000 0.444 351 K N -1.096 119.302 120.400 -0.002 0.000 2.155 351 K HA -0.076 4.245 4.320 0.001 0.000 0.203 351 K C 1.887 178.505 176.600 0.030 0.000 1.052 351 K CA 1.582 57.875 56.287 0.010 0.000 0.948 351 K CB -0.220 32.267 32.500 -0.022 0.000 0.728 351 K HN 0.381 nan 8.250 nan 0.000 0.448 352 T N -0.015 114.571 114.554 0.053 0.000 2.777 352 T HA -0.146 4.204 4.350 0.001 0.000 0.266 352 T C 1.308 176.111 174.700 0.173 0.000 1.040 352 T CA 1.185 63.360 62.100 0.124 0.000 1.141 352 T CB -0.362 68.641 68.868 0.224 0.000 0.868 352 T HN 0.320 nan 8.240 nan 0.000 0.444 353 Y N 1.885 122.208 120.300 0.038 0.000 2.181 353 Y HA -0.084 4.464 4.550 -0.002 0.000 0.288 353 Y C 2.482 178.269 175.900 -0.188 0.000 1.146 353 Y CA 1.629 59.664 58.100 -0.108 0.000 1.164 353 Y CB -0.219 37.971 38.460 -0.450 0.000 0.982 353 Y HN 0.288 nan 8.280 nan 0.000 0.515 354 E N -0.915 119.236 120.200 -0.081 0.000 2.031 354 E HA -0.206 4.145 4.350 0.001 0.000 0.193 354 E C 1.969 178.495 176.600 -0.123 0.000 0.994 354 E CA 2.027 58.351 56.400 -0.128 0.000 0.800 354 E CB -0.245 29.474 29.700 0.032 0.000 0.752 354 E HN 0.436 nan 8.360 nan 0.000 0.447 355 T N 0.353 114.877 114.554 -0.050 0.000 2.665 355 T HA -0.185 4.166 4.350 0.001 0.000 0.268 355 T C 1.895 176.555 174.700 -0.067 0.000 1.035 355 T CA 2.010 64.091 62.100 -0.031 0.000 1.151 355 T CB -0.624 68.242 68.868 -0.004 0.000 0.862 355 T HN 0.279 nan 8.240 nan 0.000 0.438 356 T N 2.386 116.879 114.554 -0.101 0.000 2.652 356 T HA -0.003 4.347 4.350 0.001 0.000 0.267 356 T C 1.983 176.572 174.700 -0.184 0.000 1.039 356 T CA 0.994 63.024 62.100 -0.116 0.000 1.153 356 T CB -0.522 68.280 68.868 -0.109 0.000 0.863 356 T HN 0.247 nan 8.240 nan 0.000 0.428 357 L N 0.833 121.819 121.223 -0.395 0.000 2.127 357 L HA -0.099 4.242 4.340 0.001 0.000 0.211 357 L C 2.870 179.629 176.870 -0.185 0.000 1.089 357 L CA 1.149 55.709 54.840 -0.467 0.000 0.757 357 L CB -0.554 40.910 42.059 -0.991 0.000 0.899 357 L HN 0.232 nan 8.230 nan 0.000 0.434 358 E N 0.210 120.357 120.200 -0.088 0.000 2.110 358 E HA -0.230 4.121 4.350 0.001 0.000 0.193 358 E C 2.054 178.671 176.600 0.028 0.000 0.988 358 E CA 1.095 57.523 56.400 0.047 0.000 0.804 358 E CB 0.026 29.760 29.700 0.056 0.000 0.745 358 E HN 0.431 nan 8.360 nan 0.000 0.458 359 K N 0.159 120.559 120.400 -0.000 0.000 2.021 359 K HA -0.049 4.272 4.320 0.001 0.000 0.205 359 K C 2.305 178.919 176.600 0.022 0.000 1.047 359 K CA 1.170 57.463 56.287 0.010 0.000 0.943 359 K CB -0.100 32.400 32.500 0.001 0.000 0.725 359 K HN 0.079 nan 8.250 nan 0.000 0.439 360 c N 0.783 119.400 118.600 0.028 0.000 2.429 360 c HA -0.094 4.477 4.570 0.001 0.000 0.277 360 c C 2.664 176.816 174.090 0.103 0.000 1.262 360 c CA 0.459 56.835 56.329 0.079 0.000 1.733 360 c CB -0.823 41.793 42.510 0.177 0.000 2.010 360 c HN 0.636 nan 8.230 nan 0.000 0.483 361 c N 1.075 119.730 118.600 0.090 0.000 2.485 361 c HA 0.171 4.742 4.570 0.001 0.000 0.283 361 c C 2.034 176.169 174.090 0.075 0.000 1.478 361 c CA 0.878 57.268 56.329 0.102 0.000 1.741 361 c CB -2.052 40.523 42.510 0.108 0.000 1.675 361 c HN 0.685 nan 8.230 nan 0.000 0.573 362 A N -0.503 122.351 122.820 0.057 0.000 2.701 362 A HA 0.729 5.050 4.320 0.001 0.000 0.297 362 A C 0.422 178.023 177.584 0.029 0.000 1.197 362 A CA 0.343 52.403 52.037 0.039 0.000 0.963 362 A CB -0.171 18.850 19.000 0.034 0.000 1.175 362 A HN 0.439 nan 8.150 nan 0.000 0.531 363 A N -1.367 121.472 122.820 0.031 0.000 2.430 363 A HA 0.789 5.110 4.320 0.001 0.000 0.300 363 A C 1.253 178.845 177.584 0.013 0.000 1.124 363 A CA 0.067 52.115 52.037 0.017 0.000 0.766 363 A CB 0.484 19.491 19.000 0.012 0.000 1.328 363 A HN 1.205 nan 8.150 nan 0.000 0.424 364 A N 0.243 123.065 122.820 0.004 0.000 1.870 364 A HA -0.123 4.198 4.320 0.001 0.000 0.219 364 A C 0.835 178.418 177.584 -0.001 0.000 1.224 364 A CA 2.562 54.599 52.037 0.000 0.000 0.650 364 A CB -0.603 18.393 19.000 -0.005 0.000 0.836 364 A HN 0.835 nan 8.150 nan 0.000 0.454 365 D N -1.782 118.609 120.400 -0.014 0.000 2.462 365 D HA 0.461 5.101 4.640 0.001 0.000 0.249 365 D C -1.841 174.427 176.300 -0.053 0.000 1.117 365 D CA -2.051 51.935 54.000 -0.023 0.000 0.900 365 D CB 1.103 41.885 40.800 -0.030 0.000 1.039 365 D HN -0.019 nan 8.370 nan 0.000 0.516 366 P HA -0.241 nan 4.420 nan 0.000 0.212 366 P C 1.075 178.099 177.300 -0.460 0.000 1.174 366 P CA 1.316 64.402 63.100 -0.024 0.000 0.934 366 P CB 0.026 31.832 31.700 0.177 0.000 0.791 367 H N -0.648 118.044 119.070 -0.629 0.000 2.472 367 H HA -0.193 4.366 4.556 0.005 0.000 0.296 367 H C 1.882 176.828 175.328 -0.637 0.000 1.120 367 H CA 2.544 58.040 56.048 -0.920 0.000 1.250 367 H CB -0.489 29.050 29.762 -0.372 0.000 1.366 367 H HN 0.207 nan 8.280 nan 0.000 0.524 368 E N -0.533 119.406 120.200 -0.435 0.000 2.122 368 E HA -0.074 4.277 4.350 0.001 0.000 0.190 368 E C 2.538 178.960 176.600 -0.296 0.000 0.977 368 E CA 0.739 56.944 56.400 -0.326 0.000 0.820 368 E CB -1.300 nan 29.700 nan 0.000 0.770 368 E HN 0.638 nan 8.360 nan 0.000 0.462 369 c N 0.481 118.923 118.600 -0.262 0.000 2.446 369 c HA -0.014 4.557 4.570 0.001 0.000 0.277 369 c C 2.285 176.323 174.090 -0.087 0.000 1.275 369 c CA 1.376 57.623 56.329 -0.135 0.000 1.727 369 c CB -1.032 41.443 42.510 -0.058 0.000 2.010 369 c HN 0.817 nan 8.230 nan 0.000 0.486 370 Y N 0.107 120.343 120.300 -0.108 0.000 2.607 370 Y HA 0.675 5.224 4.550 -0.002 0.000 0.266 370 Y C 1.535 177.364 175.900 -0.118 0.000 1.178 370 Y CA -0.240 57.801 58.100 -0.098 0.000 1.226 370 Y CB -1.346 37.062 38.460 -0.086 0.000 1.144 370 Y HN 0.144 nan 8.280 nan 0.000 0.528 371 A N 1.351 124.031 122.820 -0.234 0.000 1.929 371 A HA 0.096 4.416 4.320 0.001 0.000 0.216 371 A C 1.848 179.381 177.584 -0.084 0.000 1.176 371 A CA 1.393 53.269 52.037 -0.268 0.000 0.628 371 A CB -0.735 17.974 19.000 -0.484 0.000 0.816 371 A HN 0.407 nan 8.150 nan 0.000 0.444 372 K N 0.172 120.539 120.400 -0.056 0.000 3.127 372 K HA 0.624 4.945 4.320 0.001 0.000 0.236 372 K C 0.763 177.358 176.600 -0.008 0.000 1.271 372 K CA 0.384 56.657 56.287 -0.023 0.000 1.224 372 K CB -0.428 32.051 32.500 -0.033 0.000 1.482 372 K HN 0.307 nan 8.250 nan 0.000 0.435 373 V N -0.588 119.343 119.914 0.028 0.000 2.500 373 V HA 0.048 4.168 4.120 0.001 0.000 0.243 373 V C 1.644 177.530 176.094 -0.347 0.000 1.039 373 V CA 1.132 63.385 62.300 -0.078 0.000 1.053 373 V CB -0.475 31.383 31.823 0.058 0.000 0.695 373 V HN 0.680 nan 8.190 nan 0.000 0.463 374 F N 0.885 120.575 119.950 -0.433 0.000 2.373 374 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 374 F C 2.183 177.867 175.800 -0.193 0.000 1.080 374 F CA 1.320 59.084 58.000 -0.393 0.000 1.417 374 F CB -0.537 38.455 39.000 -0.014 0.000 1.070 374 F HN 0.316 nan 8.300 nan 0.000 0.546 375 D N -0.605 119.808 120.400 0.021 0.000 2.323 375 D HA -0.115 4.526 4.640 0.001 0.000 0.209 375 D C 1.934 178.236 176.300 0.002 0.000 0.973 375 D CA 0.566 54.587 54.000 0.036 0.000 0.874 375 D CB -0.009 40.808 40.800 0.028 0.000 0.930 375 D HN 0.430 nan 8.370 nan 0.000 0.521 376 E N -0.571 119.577 120.200 -0.085 0.000 2.442 376 E HA -0.054 4.297 4.350 0.001 0.000 0.195 376 E C 1.227 177.895 176.600 0.113 0.000 1.030 376 E CA 0.115 56.501 56.400 -0.023 0.000 0.869 376 E CB 0.210 29.878 29.700 -0.054 0.000 0.857 376 E HN 0.017 nan 8.360 nan 0.000 0.505 377 F N 1.345 121.301 119.950 0.010 0.000 2.187 377 F HA 0.067 4.591 4.527 -0.005 0.000 0.295 377 F C 2.186 177.957 175.800 -0.048 0.000 1.091 377 F CA 0.721 58.687 58.000 -0.058 0.000 1.308 377 F CB -0.910 38.024 39.000 -0.110 0.000 1.030 377 F HN -0.029 nan 8.300 nan 0.000 0.487 378 K N 1.015 121.531 120.400 0.194 0.000 2.066 378 K HA -0.233 4.088 4.320 0.001 0.000 0.221 378 K C -0.772 175.861 176.600 0.055 0.000 1.056 378 K CA 2.504 58.858 56.287 0.113 0.000 0.950 378 K CB -1.357 31.201 32.500 0.096 0.000 0.726 378 K HN 0.140 nan 8.250 nan 0.000 0.456 379 P HA -0.118 nan 4.420 nan 0.000 0.226 379 P C 1.190 178.482 177.300 -0.013 0.000 1.153 379 P CA 0.908 64.018 63.100 0.016 0.000 0.777 379 P CB 0.118 31.831 31.700 0.021 0.000 0.794 380 L N -0.792 120.420 121.223 -0.018 0.000 2.131 380 L HA -0.039 4.302 4.340 0.001 0.000 0.206 380 L C 2.685 179.458 176.870 -0.161 0.000 1.087 380 L CA 1.288 56.079 54.840 -0.081 0.000 0.767 380 L CB -1.279 40.726 42.059 -0.089 0.000 0.917 380 L HN -0.188 nan 8.230 nan 0.000 0.441 381 V N -1.024 118.788 119.914 -0.170 0.000 2.346 381 V HA -0.177 3.944 4.120 0.001 0.000 0.244 381 V C 2.301 178.288 176.094 -0.177 0.000 1.037 381 V CA 1.217 63.349 62.300 -0.279 0.000 1.029 381 V CB -0.381 31.304 31.823 -0.229 0.000 0.663 381 V HN 0.416 nan 8.190 nan 0.000 0.454 382 E N -0.194 119.958 120.200 -0.079 0.000 2.153 382 E HA -0.236 4.114 4.350 0.001 0.000 0.194 382 E C 2.278 178.851 176.600 -0.045 0.000 0.988 382 E CA 1.012 57.388 56.400 -0.040 0.000 0.811 382 E CB -0.096 29.600 29.700 -0.006 0.000 0.746 382 E HN 0.526 nan 8.360 nan 0.000 0.466 383 E N 0.788 120.955 120.200 -0.055 0.000 2.033 383 E HA -0.172 4.179 4.350 0.001 0.000 0.199 383 E C -0.621 175.952 176.600 -0.044 0.000 1.011 383 E CA 1.686 58.061 56.400 -0.042 0.000 0.815 383 E CB -0.838 28.834 29.700 -0.046 0.000 0.755 383 E HN 0.230 nan 8.360 nan 0.000 0.451 384 P HA -0.095 nan 4.420 nan 0.000 0.220 384 P C 1.383 178.655 177.300 -0.047 0.000 1.152 384 P CA 1.212 64.273 63.100 -0.064 0.000 0.812 384 P CB -0.129 31.507 31.700 -0.107 0.000 0.792 385 Q N -0.159 119.606 119.800 -0.059 0.000 2.050 385 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 385 Q C 2.121 178.120 176.000 -0.002 0.000 0.980 385 Q CA 1.336 57.124 55.803 -0.026 0.000 0.840 385 Q CB -0.552 28.174 28.738 -0.020 0.000 0.898 385 Q HN 0.248 nan 8.270 nan 0.000 0.424 386 N N 0.804 119.503 118.700 -0.002 0.000 2.104 386 N HA -0.130 4.611 4.740 0.001 0.000 0.190 386 N C 1.725 177.248 175.510 0.022 0.000 1.024 386 N CA 0.973 54.030 53.050 0.012 0.000 0.853 386 N CB -0.257 38.235 38.487 0.010 0.000 1.008 386 N HN 0.176 nan 8.380 nan 0.000 0.424 387 L N 0.242 121.478 121.223 0.021 0.000 2.083 387 L HA -0.102 4.239 4.340 0.001 0.000 0.209 387 L C 1.856 178.755 176.870 0.049 0.000 1.083 387 L CA 0.595 55.460 54.840 0.041 0.000 0.752 387 L CB -0.260 41.824 42.059 0.042 0.000 0.899 387 L HN 0.156 nan 8.230 nan 0.000 0.433 388 I N 0.613 121.203 120.570 0.032 0.000 2.179 388 I HA -0.295 3.876 4.170 0.001 0.000 0.242 388 I C 3.110 179.244 176.117 0.028 0.000 1.088 388 I CA 1.917 63.234 61.300 0.029 0.000 1.357 388 I CB -1.500 36.510 38.000 0.017 0.000 1.051 388 I HN 0.208 nan 8.210 nan 0.000 0.409 389 K N 0.664 121.080 120.400 0.027 0.000 1.991 389 K HA -0.265 4.056 4.320 0.001 0.000 0.212 389 K C 2.228 178.849 176.600 0.035 0.000 1.049 389 K CA 2.099 58.402 56.287 0.027 0.000 0.932 389 K CB -1.589 nan 32.500 nan 0.000 0.717 389 K HN 0.371 nan 8.250 nan 0.000 0.441 390 Q N 1.051 120.877 119.800 0.044 0.000 2.045 390 Q HA -0.212 4.129 4.340 0.001 0.000 0.206 390 Q C 2.217 178.268 176.000 0.085 0.000 0.991 390 Q CA 2.238 58.075 55.803 0.057 0.000 0.851 390 Q CB -0.747 28.025 28.738 0.057 0.000 0.911 390 Q HN 0.836 nan 8.270 nan 0.000 0.418 391 N N -0.738 118.027 118.700 0.107 0.000 2.188 391 N HA -0.076 4.665 4.740 0.001 0.000 0.184 391 N C 1.923 177.450 175.510 0.028 0.000 1.018 391 N CA 1.546 54.701 53.050 0.176 0.000 0.858 391 N CB -0.532 38.106 38.487 0.252 0.000 0.989 391 N HN 0.485 nan 8.380 nan 0.000 0.426 392 c N 1.081 119.670 118.600 -0.018 0.000 2.450 392 c HA 0.019 4.590 4.570 0.001 0.000 0.279 392 c C 2.554 176.645 174.090 0.003 0.000 1.335 392 c CA 0.204 56.489 56.329 -0.074 0.000 1.749 392 c CB -0.714 41.764 42.510 -0.055 0.000 1.963 392 c HN 0.480 nan 8.230 nan 0.000 0.501 393 E N 0.273 120.485 120.200 0.019 0.000 2.047 393 E HA -0.208 4.143 4.350 0.001 0.000 0.191 393 E C 2.003 178.617 176.600 0.024 0.000 0.987 393 E CA 0.915 57.331 56.400 0.027 0.000 0.799 393 E CB -0.228 29.490 29.700 0.029 0.000 0.752 393 E HN 0.434 nan 8.360 nan 0.000 0.449 394 L N 0.615 121.864 121.223 0.043 0.000 2.012 394 L HA -0.186 4.155 4.340 0.001 0.000 0.210 394 L C 2.079 178.949 176.870 -0.001 0.000 1.073 394 L CA 1.645 56.532 54.840 0.077 0.000 0.748 394 L CB -0.643 41.547 42.059 0.220 0.000 0.891 394 L HN 0.142 nan 8.230 nan 0.000 0.431 395 F N 0.690 120.398 119.950 -0.403 0.000 2.333 395 F HA -0.098 4.429 4.527 0.001 0.000 0.300 395 F C 2.193 177.845 175.800 -0.246 0.000 1.083 395 F CA 1.743 59.385 58.000 -0.597 0.000 1.395 395 F CB -0.551 37.811 39.000 -1.064 0.000 1.056 395 F HN 0.267 nan 8.300 nan 0.000 0.529 396 E N 0.750 120.894 120.200 -0.092 0.000 2.046 396 E HA -0.173 4.178 4.350 0.001 0.000 0.190 396 E C 1.910 178.419 176.600 -0.153 0.000 0.982 396 E CA 1.384 57.721 56.400 -0.105 0.000 0.800 396 E CB -0.835 28.866 29.700 0.001 0.000 0.756 396 E HN 0.734 nan 8.360 nan 0.000 0.449 397 Q N -0.232 119.512 119.800 -0.093 0.000 1.917 397 Q HA 0.076 4.417 4.340 0.001 0.000 0.205 397 Q C 1.343 177.286 176.000 -0.094 0.000 0.988 397 Q CA 0.772 56.536 55.803 -0.066 0.000 0.851 397 Q CB -0.506 28.218 28.738 -0.023 0.000 0.916 397 Q HN 0.466 nan 8.270 nan 0.000 0.424 398 L N 0.449 121.625 121.223 -0.078 0.000 2.472 398 L HA 0.199 4.539 4.340 0.001 0.000 0.260 398 L C 0.930 177.676 176.870 -0.206 0.000 1.209 398 L CA -0.330 54.470 54.840 -0.067 0.000 0.817 398 L CB -0.032 42.042 42.059 0.026 0.000 1.106 398 L HN 0.243 nan 8.230 nan 0.000 0.479 399 G N -0.618 108.084 108.800 -0.163 0.000 2.574 399 G HA2 0.130 4.091 3.960 0.001 0.000 0.248 399 G HA3 0.130 4.091 3.960 0.001 0.000 0.248 399 G C 0.536 175.283 174.900 -0.255 0.000 1.422 399 G CA -0.214 44.706 45.100 -0.299 0.000 1.051 399 G HN 0.793 nan 8.290 nan 0.000 0.560 400 E N -1.571 118.557 120.200 -0.120 0.000 2.047 400 E HA -0.196 4.155 4.350 0.001 0.000 0.191 400 E C 1.967 178.738 176.600 0.285 0.000 0.987 400 E CA 1.032 57.566 56.400 0.224 0.000 0.799 400 E CB -0.265 29.615 29.700 0.299 0.000 0.752 400 E HN 0.478 nan 8.360 nan 0.000 0.449 401 Y N 1.442 121.804 120.300 0.104 0.000 2.145 401 Y HA -0.136 4.416 4.550 0.002 0.000 0.286 401 Y C 1.816 177.774 175.900 0.097 0.000 1.145 401 Y CA 1.823 59.980 58.100 0.096 0.000 1.148 401 Y CB 0.028 38.527 38.460 0.065 0.000 0.981 401 Y HN -0.102 nan 8.280 nan 0.000 0.507 402 K N -1.160 119.197 120.400 -0.071 0.000 2.296 402 K HA -0.104 4.217 4.320 0.001 0.000 0.200 402 K C 1.857 178.443 176.600 -0.024 0.000 1.048 402 K CA 0.897 57.097 56.287 -0.145 0.000 0.966 402 K CB -0.323 32.166 32.500 -0.018 0.000 0.754 402 K HN 0.304 nan 8.250 nan 0.000 0.466 403 F N 2.472 122.382 119.950 -0.066 0.000 2.163 403 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 403 F C 2.002 177.806 175.800 0.006 0.000 1.094 403 F CA 1.398 59.407 58.000 0.015 0.000 1.290 403 F CB -0.098 38.996 39.000 0.156 0.000 1.017 403 F HN -0.032 nan 8.300 nan 0.000 0.483 404 Q N -0.031 119.739 119.800 -0.050 0.000 2.124 404 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 404 Q C 1.759 177.639 176.000 -0.201 0.000 0.977 404 Q CA 1.514 57.233 55.803 -0.140 0.000 0.850 404 Q CB -0.348 28.385 28.738 -0.008 0.000 0.901 404 Q HN 0.409 nan 8.270 nan 0.000 0.429 405 N N 0.499 119.046 118.700 -0.255 0.000 2.270 405 N HA -0.074 4.667 4.740 0.001 0.000 0.181 405 N C 1.515 176.916 175.510 -0.182 0.000 1.016 405 N CA 1.150 54.062 53.050 -0.230 0.000 0.870 405 N CB -0.212 38.094 38.487 -0.301 0.000 0.979 405 N HN 0.223 nan 8.380 nan 0.000 0.431 406 A N 1.047 123.748 122.820 -0.198 0.000 1.930 406 A HA 0.011 4.332 4.320 0.001 0.000 0.217 406 A C 2.261 179.680 177.584 -0.276 0.000 1.175 406 A CA 0.720 52.642 52.037 -0.192 0.000 0.627 406 A CB -0.566 18.350 19.000 -0.139 0.000 0.815 406 A HN 0.188 nan 8.150 nan 0.000 0.443 407 L N -1.039 119.974 121.223 -0.349 0.000 2.141 407 L HA -0.139 4.202 4.340 0.001 0.000 0.209 407 L C 2.439 179.199 176.870 -0.185 0.000 1.094 407 L CA 0.424 55.058 54.840 -0.343 0.000 0.763 407 L CB -0.575 41.373 42.059 -0.185 0.000 0.908 407 L HN 0.280 nan 8.230 nan 0.000 0.437 408 L N -0.345 120.811 121.223 -0.112 0.000 1.989 408 L HA -0.188 4.153 4.340 0.001 0.000 0.211 408 L C 2.498 179.330 176.870 -0.064 0.000 1.071 408 L CA 1.648 56.463 54.840 -0.041 0.000 0.749 408 L CB -0.746 41.284 42.059 -0.048 0.000 0.890 408 L HN -0.041 nan 8.230 nan 0.000 0.431 409 V N -0.663 119.188 119.914 -0.106 0.000 2.343 409 V HA -0.300 3.821 4.120 0.001 0.000 0.247 409 V C 2.702 178.713 176.094 -0.137 0.000 1.051 409 V CA 1.909 64.151 62.300 -0.096 0.000 1.036 409 V CB -0.661 31.106 31.823 -0.093 0.000 0.654 409 V HN 0.451 nan 8.190 nan 0.000 0.451 410 R N -0.851 119.498 120.500 -0.252 0.000 2.083 410 R HA -0.202 4.139 4.340 0.001 0.000 0.237 410 R C 2.311 178.407 176.300 -0.340 0.000 1.137 410 R CA 2.193 58.070 56.100 -0.372 0.000 0.951 410 R CB -0.314 29.606 30.300 -0.635 0.000 0.851 410 R HN 0.553 nan 8.270 nan 0.000 0.434 411 Y N -0.483 119.784 120.300 -0.056 0.000 2.420 411 Y HA 0.055 4.604 4.550 -0.001 0.000 0.292 411 Y C 2.419 178.290 175.900 -0.049 0.000 1.119 411 Y CA 1.021 59.094 58.100 -0.045 0.000 1.229 411 Y CB -0.488 37.940 38.460 -0.054 0.000 1.026 411 Y HN 0.051 nan 8.280 nan 0.000 0.554 412 T N 0.060 114.651 114.554 0.063 0.000 2.788 412 T HA -0.168 4.182 4.350 0.001 0.000 0.268 412 T C 1.831 176.502 174.700 -0.049 0.000 1.044 412 T CA 1.469 63.571 62.100 0.002 0.000 1.139 412 T CB -0.129 68.734 68.868 -0.008 0.000 0.867 412 T HN 0.283 nan 8.240 nan 0.000 0.454 413 K N 0.672 121.048 120.400 -0.039 0.000 2.148 413 K HA 0.004 4.325 4.320 0.001 0.000 0.204 413 K C 2.378 178.963 176.600 -0.027 0.000 1.050 413 K CA 0.919 57.179 56.287 -0.045 0.000 0.942 413 K CB 0.025 32.502 32.500 -0.038 0.000 0.724 413 K HN 0.272 nan 8.250 nan 0.000 0.446 414 K N 0.197 120.606 120.400 0.014 0.000 2.076 414 K HA -0.008 4.313 4.320 0.001 0.000 0.204 414 K C 0.405 177.024 176.600 0.033 0.000 1.051 414 K CA 0.862 57.178 56.287 0.049 0.000 0.949 414 K CB 0.508 33.085 32.500 0.127 0.000 0.726 414 K HN -0.098 nan 8.250 nan 0.000 0.443 415 V N 2.057 121.985 119.914 0.022 0.000 2.384 415 V HA 0.141 4.262 4.120 0.001 0.000 0.257 415 V C -2.391 173.658 176.094 -0.075 0.000 0.969 415 V CA -1.032 61.269 62.300 0.000 0.000 0.910 415 V CB 1.079 32.932 31.823 0.050 0.000 1.150 415 V HN -0.011 nan 8.190 nan 0.000 0.481 416 P HA -0.121 nan 4.420 nan 0.000 0.223 416 P C 1.348 178.463 177.300 -0.308 0.000 1.144 416 P CA 1.067 63.878 63.100 -0.481 0.000 0.783 416 P CB 0.339 31.253 31.700 -1.310 0.000 0.771 417 Q N -0.957 118.775 119.800 -0.113 0.000 2.123 417 Q HA -0.008 4.333 4.340 0.001 0.000 0.199 417 Q C 0.736 176.761 176.000 0.042 0.000 0.966 417 Q CA 0.447 56.265 55.803 0.025 0.000 0.845 417 Q CB -1.160 27.628 28.738 0.083 0.000 0.907 417 Q HN 0.074 nan 8.270 nan 0.000 0.439 418 V N 2.264 122.204 119.914 0.044 0.000 2.953 418 V HA -0.086 4.035 4.120 0.001 0.000 0.304 418 V C 0.646 176.762 176.094 0.037 0.000 1.138 418 V CA 0.214 62.550 62.300 0.060 0.000 1.266 418 V CB 0.374 32.233 31.823 0.059 0.000 0.923 418 V HN 0.429 nan 8.190 nan 0.000 0.505 419 S N 2.871 118.593 115.700 0.036 0.000 2.572 419 S HA 0.058 4.529 4.470 0.001 0.000 0.279 419 S C 1.189 175.803 174.600 0.023 0.000 1.341 419 S CA 0.099 58.315 58.200 0.026 0.000 1.043 419 S CB 1.043 64.254 63.200 0.019 0.000 0.887 419 S HN 0.781 nan 8.310 nan 0.000 0.516 420 T N 3.547 118.113 114.554 0.021 0.000 2.665 420 T HA -0.044 4.307 4.350 0.001 0.000 0.268 420 T C -0.713 174.000 174.700 0.022 0.000 1.035 420 T CA 1.741 63.855 62.100 0.022 0.000 1.151 420 T CB -1.441 67.438 68.868 0.019 0.000 0.862 420 T HN 0.712 nan 8.240 nan 0.000 0.438 421 P HA -0.062 nan 4.420 nan 0.000 0.218 421 P C 1.384 178.696 177.300 0.020 0.000 1.148 421 P CA 1.250 64.361 63.100 0.020 0.000 0.822 421 P CB -0.290 31.418 31.700 0.014 0.000 0.784 422 T N 0.456 115.021 114.554 0.018 0.000 2.812 422 T HA -0.015 4.336 4.350 0.001 0.000 0.264 422 T C 1.990 176.695 174.700 0.008 0.000 1.042 422 T CA 0.838 62.947 62.100 0.015 0.000 1.140 422 T CB -0.749 68.133 68.868 0.023 0.000 0.870 422 T HN 0.042 nan 8.240 nan 0.000 0.445 423 L N 0.828 122.059 121.223 0.014 0.000 2.046 423 L HA -0.101 4.239 4.340 0.001 0.000 0.208 423 L C 2.607 179.489 176.870 0.019 0.000 1.077 423 L CA 0.938 55.786 54.840 0.014 0.000 0.747 423 L CB -0.559 41.517 42.059 0.027 0.000 0.896 423 L HN 0.158 nan 8.230 nan 0.000 0.432 424 V N -0.437 119.494 119.914 0.027 0.000 2.358 424 V HA -0.284 3.837 4.120 0.001 0.000 0.246 424 V C 2.428 178.541 176.094 0.032 0.000 1.047 424 V CA 1.921 64.243 62.300 0.036 0.000 1.035 424 V CB -0.455 31.396 31.823 0.047 0.000 0.658 424 V HN 0.493 nan 8.190 nan 0.000 0.452 425 E N 0.113 120.327 120.200 0.023 0.000 2.051 425 E HA -0.184 4.167 4.350 0.001 0.000 0.192 425 E C 2.267 178.868 176.600 0.002 0.000 0.991 425 E CA 1.622 58.034 56.400 0.019 0.000 0.799 425 E CB -0.011 29.698 29.700 0.016 0.000 0.748 425 E HN 0.396 nan 8.360 nan 0.000 0.449 426 V N 0.761 120.662 119.914 -0.021 0.000 2.287 426 V HA -0.259 3.862 4.120 0.001 0.000 0.248 426 V C 2.379 178.438 176.094 -0.059 0.000 1.053 426 V CA 2.063 64.324 62.300 -0.064 0.000 1.027 426 V CB -0.473 31.280 31.823 -0.118 0.000 0.646 426 V HN 0.251 nan 8.190 nan 0.000 0.447 427 S N -0.893 114.792 115.700 -0.025 0.000 2.419 427 S HA -0.145 4.326 4.470 0.001 0.000 0.233 427 S C 2.040 176.647 174.600 0.012 0.000 1.016 427 S CA 1.140 59.345 58.200 0.008 0.000 0.974 427 S CB -0.273 62.955 63.200 0.047 0.000 0.786 427 S HN 0.513 nan 8.310 nan 0.000 0.492 428 R N 1.517 122.033 120.500 0.026 0.000 2.066 428 R HA 0.048 4.389 4.340 0.001 0.000 0.232 428 R C 1.878 178.210 176.300 0.054 0.000 1.131 428 R CA 1.269 57.402 56.100 0.055 0.000 0.955 428 R CB -0.326 30.012 30.300 0.064 0.000 0.851 428 R HN 0.376 nan 8.270 nan 0.000 0.432 429 N N 0.823 119.539 118.700 0.028 0.000 2.188 429 N HA -0.140 4.601 4.740 0.001 0.000 0.184 429 N C 1.727 177.252 175.510 0.025 0.000 1.018 429 N CA 0.827 53.889 53.050 0.020 0.000 0.858 429 N CB -0.165 38.325 38.487 0.006 0.000 0.989 429 N HN 0.060 nan 8.380 nan 0.000 0.426 430 L N 1.284 122.515 121.223 0.014 0.000 2.083 430 L HA -0.005 4.335 4.340 0.001 0.000 0.209 430 L C 2.289 179.228 176.870 0.116 0.000 1.083 430 L CA 1.368 56.227 54.840 0.031 0.000 0.752 430 L CB -1.228 40.825 42.059 -0.010 0.000 0.899 430 L HN 0.145 nan 8.230 nan 0.000 0.433 431 G N -1.027 107.846 108.800 0.122 0.000 2.418 431 G HA2 -0.257 3.704 3.960 0.001 0.000 0.217 431 G HA3 -0.257 3.704 3.960 0.001 0.000 0.217 431 G C 1.662 176.722 174.900 0.266 0.000 1.158 431 G CA 0.611 45.882 45.100 0.286 0.000 0.771 431 G HN 0.373 nan 8.290 nan 0.000 0.545 432 K N 0.123 120.601 120.400 0.130 0.000 2.211 432 K HA 0.033 4.353 4.320 0.001 0.000 0.203 432 K C 2.403 178.973 176.600 -0.051 0.000 1.050 432 K CA 0.681 56.995 56.287 0.045 0.000 0.945 432 K CB -0.102 32.400 32.500 0.003 0.000 0.732 432 K HN 0.248 nan 8.250 nan 0.000 0.451 433 V N 0.878 120.780 119.914 -0.020 0.000 2.626 433 V HA -0.137 3.983 4.120 0.001 0.000 0.252 433 V C 2.290 178.340 176.094 -0.073 0.000 1.067 433 V CA 2.020 64.297 62.300 -0.039 0.000 1.081 433 V CB -0.636 31.221 31.823 0.056 0.000 0.686 433 V HN 0.457 nan 8.190 nan 0.000 0.468 434 G N 0.379 109.131 108.800 -0.080 0.000 2.394 434 G HA2 -0.206 3.755 3.960 0.001 0.000 0.215 434 G HA3 -0.206 3.755 3.960 0.001 0.000 0.215 434 G C 1.810 176.159 174.900 -0.917 0.000 1.165 434 G CA 1.061 45.927 45.100 -0.391 0.000 0.784 434 G HN 0.638 nan 8.290 nan 0.000 0.535 435 S N -0.117 115.182 115.700 -0.669 0.000 2.481 435 S HA -0.027 4.444 4.470 0.001 0.000 0.231 435 S C 2.009 176.457 174.600 -0.253 0.000 0.996 435 S CA 1.686 59.589 58.200 -0.494 0.000 0.942 435 S CB 0.107 63.383 63.200 0.126 0.000 0.768 435 S HN 0.304 nan 8.310 nan 0.000 0.520 436 K N 0.658 120.932 120.400 -0.210 0.000 2.078 436 K HA 0.171 4.492 4.320 0.001 0.000 0.203 436 K C 2.122 178.716 176.600 -0.011 0.000 1.043 436 K CA 1.013 57.232 56.287 -0.114 0.000 0.960 436 K CB -1.164 31.236 32.500 -0.166 0.000 0.761 436 K HN 0.690 nan 8.250 nan 0.000 0.448 437 c N 0.546 119.162 118.600 0.027 0.000 2.464 437 c HA 0.150 4.721 4.570 0.001 0.000 0.278 437 c C 2.818 176.959 174.090 0.086 0.000 1.375 437 c CA 0.433 56.876 56.329 0.191 0.000 1.761 437 c CB -1.256 41.324 42.510 0.115 0.000 1.944 437 c HN 0.745 nan 8.230 nan 0.000 0.509 438 c N 1.066 119.582 118.600 -0.140 0.000 2.437 438 c HA -0.010 4.560 4.570 0.001 0.000 0.283 438 c C 2.992 177.029 174.090 -0.088 0.000 1.424 438 c CA 1.492 57.729 56.329 -0.153 0.000 1.782 438 c CB -1.502 40.795 42.510 -0.355 0.000 1.833 438 c HN 0.749 nan 8.230 nan 0.000 0.532 439 K N 0.019 120.335 120.400 -0.139 0.000 2.365 439 K HA -0.054 4.267 4.320 0.001 0.000 0.199 439 K C 0.750 177.223 176.600 -0.211 0.000 1.045 439 K CA 0.901 57.086 56.287 -0.170 0.000 0.962 439 K CB -0.631 31.727 32.500 -0.237 0.000 0.759 439 K HN 0.723 nan 8.250 nan 0.000 0.469 440 H N 0.033 119.093 119.070 -0.016 0.000 2.505 440 H HA 0.274 4.831 4.556 0.001 0.000 0.355 440 H C -2.396 172.930 175.328 -0.004 0.000 1.179 440 H CA -2.339 53.706 56.048 -0.005 0.000 1.343 440 H CB 1.234 30.996 29.762 0.001 0.000 1.501 440 H HN 0.066 nan 8.280 nan 0.000 0.569 441 P HA 0.011 nan 4.420 nan 0.000 0.275 441 P C 0.885 178.225 177.300 0.067 0.000 1.228 441 P CA -0.093 63.052 63.100 0.074 0.000 0.786 441 P CB 0.852 32.587 31.700 0.058 0.000 0.927 442 E N 1.464 121.692 120.200 0.047 0.000 2.236 442 E HA -0.294 4.057 4.350 0.001 0.000 0.205 442 E C 2.011 178.636 176.600 0.041 0.000 1.028 442 E CA 1.944 58.369 56.400 0.042 0.000 0.827 442 E CB -1.265 28.457 29.700 0.037 0.000 0.735 442 E HN 0.648 nan 8.360 nan 0.000 0.470 443 A N 0.099 122.938 122.820 0.033 0.000 2.014 443 A HA -0.095 4.226 4.320 0.001 0.000 0.218 443 A C 2.010 179.598 177.584 0.006 0.000 1.163 443 A CA 1.282 53.332 52.037 0.022 0.000 0.652 443 A CB -0.036 18.966 19.000 0.003 0.000 0.808 443 A HN 0.280 nan 8.150 nan 0.000 0.449 444 K N -0.758 119.641 120.400 -0.002 0.000 2.455 444 K HA 0.272 4.593 4.320 0.001 0.000 0.206 444 K C 1.472 178.015 176.600 -0.095 0.000 1.027 444 K CA -0.001 56.247 56.287 -0.066 0.000 1.113 444 K CB 0.134 32.570 32.500 -0.108 0.000 0.850 444 K HN 0.631 nan 8.250 nan 0.000 0.503 445 R N 0.106 120.596 120.500 -0.017 0.000 2.055 445 R HA 0.221 4.561 4.340 0.001 0.000 0.226 445 R C 2.392 178.684 176.300 -0.014 0.000 1.135 445 R CA 1.322 57.421 56.100 -0.002 0.000 0.959 445 R CB -0.233 30.086 30.300 0.030 0.000 0.854 445 R HN 0.204 nan 8.270 nan 0.000 0.431 446 M N 0.703 120.299 119.600 -0.007 0.000 2.073 446 M HA -0.128 4.353 4.480 0.001 0.000 0.258 446 M C -0.875 175.407 176.300 -0.030 0.000 1.070 446 M CA 2.104 57.395 55.300 -0.015 0.000 1.103 446 M CB -0.812 31.780 32.600 -0.013 0.000 1.321 446 M HN -0.055 nan 8.290 nan 0.000 0.405 447 P HA -0.156 nan 4.420 nan 0.000 0.215 447 P C 1.658 178.909 177.300 -0.081 0.000 1.153 447 P CA 1.223 64.282 63.100 -0.068 0.000 0.853 447 P CB -0.289 31.359 31.700 -0.087 0.000 0.788 448 c N -0.202 118.342 118.600 -0.093 0.000 2.413 448 c HA -0.115 4.456 4.570 0.001 0.000 0.277 448 c C 2.834 176.939 174.090 0.026 0.000 1.228 448 c CA 1.732 58.022 56.329 -0.065 0.000 1.731 448 c CB -1.655 40.803 42.510 -0.086 0.000 2.042 448 c HN 0.220 nan 8.230 nan 0.000 0.468 449 A N -0.049 122.795 122.820 0.040 0.000 1.908 449 A HA -0.251 4.070 4.320 0.001 0.000 0.218 449 A C 2.195 179.804 177.584 0.042 0.000 1.181 449 A CA 2.106 54.184 52.037 0.068 0.000 0.627 449 A CB -1.046 17.980 19.000 0.042 0.000 0.818 449 A HN 0.841 nan 8.150 nan 0.000 0.445 450 E N -0.405 119.795 120.200 0.000 0.000 2.058 450 E HA -0.277 4.074 4.350 0.001 0.000 0.194 450 E C 1.432 178.018 176.600 -0.023 0.000 0.997 450 E CA 1.563 57.959 56.400 -0.008 0.000 0.801 450 E CB -0.208 29.482 29.700 -0.017 0.000 0.746 450 E HN 0.552 nan 8.360 nan 0.000 0.450 451 D N -0.742 119.604 120.400 -0.088 0.000 2.097 451 D HA -0.143 4.498 4.640 0.001 0.000 0.197 451 D C 1.751 177.924 176.300 -0.212 0.000 0.984 451 D CA 1.021 54.907 54.000 -0.190 0.000 0.826 451 D CB -0.179 40.407 40.800 -0.357 0.000 0.973 451 D HN 0.314 nan 8.370 nan 0.000 0.460 452 Y N 0.098 120.410 120.300 0.020 0.000 2.395 452 Y HA -0.016 4.534 4.550 0.001 0.000 0.293 452 Y C 2.005 177.908 175.900 0.005 0.000 1.123 452 Y CA 0.069 58.181 58.100 0.019 0.000 1.227 452 Y CB -0.209 38.264 38.460 0.022 0.000 1.012 452 Y HN -0.049 nan 8.280 nan 0.000 0.552 453 L N -0.253 121.045 121.223 0.125 0.000 2.072 453 L HA -0.152 4.189 4.340 0.001 0.000 0.205 453 L C 2.617 179.501 176.870 0.022 0.000 1.079 453 L CA 1.954 56.827 54.840 0.055 0.000 0.752 453 L CB -1.304 40.776 42.059 0.035 0.000 0.906 453 L HN 0.286 nan 8.230 nan 0.000 0.436 454 S N -1.475 114.238 115.700 0.022 0.000 2.374 454 S HA -0.227 4.244 4.470 0.001 0.000 0.227 454 S C 2.099 176.708 174.600 0.016 0.000 1.037 454 S CA 1.657 59.865 58.200 0.014 0.000 1.024 454 S CB -1.445 61.760 63.200 0.008 0.000 0.861 454 S HN 0.305 nan 8.310 nan 0.000 0.456 455 V N 1.325 121.260 119.914 0.035 0.000 2.515 455 V HA -0.034 4.087 4.120 0.001 0.000 0.250 455 V C 2.235 178.350 176.094 0.035 0.000 1.058 455 V CA 1.789 64.118 62.300 0.049 0.000 1.064 455 V CB -0.451 31.430 31.823 0.097 0.000 0.675 455 V HN 0.483 nan 8.190 nan 0.000 0.461 456 V N -0.203 119.725 119.914 0.023 0.000 2.548 456 V HA -0.109 4.012 4.120 0.001 0.000 0.249 456 V C 2.449 178.491 176.094 -0.087 0.000 1.055 456 V CA 1.606 63.891 62.300 -0.024 0.000 1.065 456 V CB -0.396 31.405 31.823 -0.037 0.000 0.681 456 V HN 0.466 nan 8.190 nan 0.000 0.462 457 L N 1.431 122.596 121.223 -0.097 0.000 2.044 457 L HA -0.124 4.217 4.340 0.001 0.000 0.205 457 L C 2.345 179.176 176.870 -0.064 0.000 1.075 457 L CA 2.429 57.177 54.840 -0.153 0.000 0.747 457 L CB -1.227 40.767 42.059 -0.108 0.000 0.903 457 L HN 0.684 nan 8.230 nan 0.000 0.435 458 N N -1.877 116.819 118.700 -0.006 0.000 2.270 458 N HA -0.230 4.511 4.740 0.001 0.000 0.181 458 N C 1.845 177.366 175.510 0.018 0.000 1.016 458 N CA 0.517 53.581 53.050 0.023 0.000 0.870 458 N CB -0.398 38.107 38.487 0.030 0.000 0.979 458 N HN 0.399 nan 8.380 nan 0.000 0.431 459 Q N 0.758 120.561 119.800 0.005 0.000 2.135 459 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 459 Q C 2.070 178.073 176.000 0.004 0.000 0.981 459 Q CA 1.258 57.068 55.803 0.012 0.000 0.856 459 Q CB -0.082 28.661 28.738 0.009 0.000 0.902 459 Q HN 0.533 nan 8.270 nan 0.000 0.425 460 L N 0.237 121.442 121.223 -0.030 0.000 2.044 460 L HA -0.117 4.224 4.340 0.001 0.000 0.205 460 L C 2.373 179.263 176.870 0.032 0.000 1.075 460 L CA 1.713 56.529 54.840 -0.040 0.000 0.747 460 L CB -0.981 40.979 42.059 -0.164 0.000 0.903 460 L HN 0.250 nan 8.230 nan 0.000 0.435 461 c N -1.437 117.190 118.600 0.046 0.000 2.432 461 c HA -0.121 4.450 4.570 0.001 0.000 0.277 461 c C 2.741 176.899 174.090 0.113 0.000 1.249 461 c CA 0.879 57.272 56.329 0.107 0.000 1.725 461 c CB -0.846 41.730 42.510 0.110 0.000 2.028 461 c HN 0.505 nan 8.230 nan 0.000 0.477 462 V N 1.166 121.123 119.914 0.073 0.000 2.231 462 V HA -0.286 3.835 4.120 0.001 0.000 0.248 462 V C 2.399 178.534 176.094 0.067 0.000 1.054 462 V CA 2.238 64.574 62.300 0.060 0.000 1.015 462 V CB -0.738 31.109 31.823 0.041 0.000 0.638 462 V HN 0.551 nan 8.190 nan 0.000 0.444 463 L N -0.576 120.686 121.223 0.065 0.000 2.051 463 L HA -0.282 4.059 4.340 0.001 0.000 0.214 463 L C 2.607 179.522 176.870 0.076 0.000 1.076 463 L CA 2.270 57.145 54.840 0.059 0.000 0.758 463 L CB -0.966 41.125 42.059 0.053 0.000 0.890 463 L HN 0.525 nan 8.230 nan 0.000 0.433 464 H N 0.285 119.370 119.070 0.025 0.000 2.495 464 H HA -0.095 4.462 4.556 0.003 0.000 0.287 464 H C 2.127 177.473 175.328 0.030 0.000 1.033 464 H CA 1.497 57.564 56.048 0.032 0.000 1.307 464 H CB 0.445 30.238 29.762 0.052 0.000 1.401 464 H HN 0.460 nan 8.280 nan 0.000 0.555 465 E N 1.125 121.403 120.200 0.130 0.000 2.077 465 E HA -0.168 4.183 4.350 0.001 0.000 0.193 465 E C 2.393 178.996 176.600 0.004 0.000 0.989 465 E CA 1.958 58.404 56.400 0.078 0.000 0.800 465 E CB -0.819 28.922 29.700 0.067 0.000 0.746 465 E HN 0.733 nan 8.360 nan 0.000 0.452 466 K N 0.229 120.626 120.400 -0.006 0.000 2.007 466 K HA 0.039 4.360 4.320 0.001 0.000 0.206 466 K C 1.899 178.463 176.600 -0.060 0.000 1.047 466 K CA 1.493 57.766 56.287 -0.023 0.000 0.937 466 K CB -0.823 31.671 32.500 -0.010 0.000 0.718 466 K HN 0.398 nan 8.250 nan 0.000 0.438 467 T N 2.780 117.277 114.554 -0.095 0.000 3.383 467 T HA 0.337 4.688 4.350 0.001 0.000 0.324 467 T C -2.692 171.826 174.700 -0.304 0.000 1.822 467 T CA -1.366 60.653 62.100 -0.135 0.000 1.424 467 T CB 0.861 69.679 68.868 -0.084 0.000 1.093 467 T HN 0.194 nan 8.240 nan 0.000 0.748 468 P HA 0.130 nan 4.420 nan 0.000 0.266 468 P C 0.333 177.428 177.300 -0.341 0.000 1.193 468 P CA 0.084 62.861 63.100 -0.537 0.000 0.770 468 P CB 0.814 32.400 31.700 -0.190 0.000 0.836 469 V N -0.130 119.628 119.914 -0.259 0.000 3.331 469 V HA 0.106 4.227 4.120 0.001 0.000 0.259 469 V C 0.134 176.325 176.094 0.162 0.000 1.735 469 V CA 0.327 62.632 62.300 0.009 0.000 1.032 469 V CB 0.808 32.645 31.823 0.023 0.000 0.892 469 V HN 0.561 nan 8.190 nan 0.000 0.384 470 S N 0.755 116.672 115.700 0.361 0.000 2.548 470 S HA 0.330 4.801 4.470 0.001 0.000 0.276 470 S C 0.392 175.096 174.600 0.173 0.000 1.129 470 S CA -0.006 58.330 58.200 0.227 0.000 0.931 470 S CB 1.763 65.068 63.200 0.175 0.000 1.068 470 S HN 0.515 nan 8.310 nan 0.000 0.480 471 D N 4.475 124.930 120.400 0.091 0.000 2.149 471 D HA -0.127 4.514 4.640 0.001 0.000 0.201 471 D C 1.427 177.723 176.300 -0.006 0.000 0.972 471 D CA 0.723 54.754 54.000 0.052 0.000 0.835 471 D CB -0.108 40.714 40.800 0.036 0.000 0.966 471 D HN 0.504 nan 8.370 nan 0.000 0.476 472 R N 0.668 121.154 120.500 -0.023 0.000 2.096 472 R HA -0.039 4.302 4.340 0.001 0.000 0.235 472 R C 2.639 178.838 176.300 -0.168 0.000 1.127 472 R CA 0.902 56.955 56.100 -0.079 0.000 0.968 472 R CB -0.390 29.879 30.300 -0.052 0.000 0.861 472 R HN 0.099 nan 8.270 nan 0.000 0.440 473 V N 0.236 120.050 119.914 -0.168 0.000 2.307 473 V HA -0.232 3.889 4.120 0.001 0.000 0.245 473 V C 2.036 177.945 176.094 -0.307 0.000 1.045 473 V CA 2.246 64.375 62.300 -0.284 0.000 1.024 473 V CB -0.582 30.947 31.823 -0.490 0.000 0.651 473 V HN 0.388 nan 8.190 nan 0.000 0.449 474 T N -0.269 114.158 114.554 -0.213 0.000 2.759 474 T HA -0.271 4.080 4.350 0.001 0.000 0.269 474 T C 1.908 176.567 174.700 -0.069 0.000 1.042 474 T CA 1.991 64.058 62.100 -0.054 0.000 1.140 474 T CB -0.205 68.714 68.868 0.085 0.000 0.864 474 T HN 0.495 nan 8.240 nan 0.000 0.455 475 K N 0.404 120.741 120.400 -0.105 0.000 2.002 475 K HA -0.100 4.221 4.320 0.001 0.000 0.209 475 K C 2.456 178.958 176.600 -0.163 0.000 1.048 475 K CA 1.600 57.824 56.287 -0.106 0.000 0.930 475 K CB -0.575 31.860 32.500 -0.108 0.000 0.714 475 K HN 0.302 nan 8.250 nan 0.000 0.438 476 c N 0.470 118.877 118.600 -0.321 0.000 2.413 476 c HA -0.146 4.425 4.570 0.001 0.000 0.276 476 c C 2.881 176.827 174.090 -0.241 0.000 1.248 476 c CA 0.678 56.716 56.329 -0.485 0.000 1.742 476 c CB -1.051 40.675 42.510 -1.305 0.000 2.017 476 c HN 0.683 nan 8.230 nan 0.000 0.481 477 c N 0.812 119.334 118.600 -0.131 0.000 2.435 477 c HA -0.068 4.503 4.570 0.001 0.000 0.279 477 c C 2.812 176.939 174.090 0.062 0.000 1.321 477 c CA 1.927 58.284 56.329 0.046 0.000 1.752 477 c CB -1.534 41.019 42.510 0.071 0.000 1.959 477 c HN 0.845 nan 8.230 nan 0.000 0.500 478 T N -2.243 112.331 114.554 0.034 0.000 3.014 478 T HA 0.072 4.423 4.350 0.001 0.000 0.250 478 T C 0.451 175.214 174.700 0.105 0.000 1.060 478 T CA 0.193 62.337 62.100 0.073 0.000 1.040 478 T CB 0.022 68.919 68.868 0.048 0.000 0.971 478 T HN 0.425 nan 8.240 nan 0.000 0.497 479 E N 2.480 122.704 120.200 0.041 0.000 2.455 479 E HA 0.234 4.585 4.350 0.001 0.000 0.259 479 E C 0.327 176.950 176.600 0.038 0.000 1.245 479 E CA 0.091 56.502 56.400 0.018 0.000 1.013 479 E CB 0.402 30.070 29.700 -0.054 0.000 0.978 479 E HN 0.311 nan 8.360 nan 0.000 0.479 480 S N 0.752 116.412 115.700 -0.067 0.000 2.550 480 S HA -0.093 4.378 4.470 0.001 0.000 0.285 480 S C 0.982 175.426 174.600 -0.261 0.000 1.326 480 S CA -0.309 57.715 58.200 -0.295 0.000 1.037 480 S CB 0.079 63.114 63.200 -0.276 0.000 0.838 480 S HN 0.530 nan 8.310 nan 0.000 0.519 481 L N 5.420 126.356 121.223 -0.478 0.000 2.552 481 L HA 0.173 4.514 4.340 0.001 0.000 0.227 481 L C 1.758 178.554 176.870 -0.122 0.000 1.146 481 L CA 1.208 55.950 54.840 -0.163 0.000 0.858 481 L CB -0.359 41.663 42.059 -0.063 0.000 0.969 481 L HN 0.651 nan 8.230 nan 0.000 0.451 482 V N -0.913 118.893 119.914 -0.181 0.000 2.878 482 V HA -0.054 4.067 4.120 0.001 0.000 0.250 482 V C 1.525 177.564 176.094 -0.090 0.000 1.075 482 V CA 1.259 63.489 62.300 -0.117 0.000 1.096 482 V CB -0.465 31.276 31.823 -0.136 0.000 0.724 482 V HN 0.530 nan 8.190 nan 0.000 0.467 483 N N -0.350 118.292 118.700 -0.097 0.000 2.280 483 N HA 0.055 4.796 4.740 0.001 0.000 0.192 483 N C 1.818 177.299 175.510 -0.049 0.000 1.109 483 N CA -0.191 52.815 53.050 -0.073 0.000 0.855 483 N CB 0.144 38.581 38.487 -0.083 0.000 0.974 483 N HN 0.318 nan 8.380 nan 0.000 0.482 484 R N 1.673 122.161 120.500 -0.020 0.000 2.094 484 R HA -0.087 4.253 4.340 0.001 0.000 0.239 484 R C 2.248 178.630 176.300 0.138 0.000 1.137 484 R CA 1.390 57.518 56.100 0.047 0.000 0.943 484 R CB 0.006 30.370 30.300 0.107 0.000 0.850 484 R HN 0.076 nan 8.270 nan 0.000 0.433 485 R N 0.128 120.699 120.500 0.119 0.000 2.075 485 R HA -0.030 4.311 4.340 0.001 0.000 0.232 485 R C -0.873 175.492 176.300 0.108 0.000 1.126 485 R CA 1.299 57.487 56.100 0.147 0.000 0.963 485 R CB -1.246 29.096 30.300 0.070 0.000 0.858 485 R HN 0.283 nan 8.270 nan 0.000 0.435 486 P HA -0.091 nan 4.420 nan 0.000 0.218 486 P C 1.596 178.894 177.300 -0.002 0.000 1.149 486 P CA 0.842 63.948 63.100 0.010 0.000 0.817 486 P CB -0.226 31.460 31.700 -0.023 0.000 0.785 487 c N -1.864 116.707 118.600 -0.048 0.000 2.429 487 c HA -0.114 4.457 4.570 0.001 0.000 0.277 487 c C 2.344 176.334 174.090 -0.167 0.000 1.262 487 c CA 0.669 56.910 56.329 -0.147 0.000 1.733 487 c CB -2.114 40.239 42.510 -0.261 0.000 2.010 487 c HN 0.064 nan 8.230 nan 0.000 0.483 488 F N 1.351 121.284 119.950 -0.029 0.000 2.259 488 F HA -0.018 4.511 4.527 0.003 0.000 0.298 488 F C 2.736 178.541 175.800 0.008 0.000 1.088 488 F CA 1.739 59.720 58.000 -0.031 0.000 1.358 488 F CB -0.561 38.400 39.000 -0.065 0.000 1.040 488 F HN 0.137 nan 8.300 nan 0.000 0.505 489 S N -0.411 115.402 115.700 0.188 0.000 2.428 489 S HA -0.040 4.431 4.470 0.001 0.000 0.230 489 S C 2.161 176.817 174.600 0.093 0.000 1.014 489 S CA 0.824 59.108 58.200 0.141 0.000 0.957 489 S CB -0.401 62.858 63.200 0.098 0.000 0.784 489 S HN 0.317 nan 8.310 nan 0.000 0.499 490 A N 0.821 123.672 122.820 0.052 0.000 2.208 490 A HA 0.313 4.633 4.320 0.001 0.000 0.209 490 A C 0.717 178.315 177.584 0.024 0.000 1.161 490 A CA -0.009 52.042 52.037 0.023 0.000 0.782 490 A CB -0.362 18.633 19.000 -0.009 0.000 0.816 490 A HN 0.398 nan 8.150 nan 0.000 0.477 491 L N 0.925 122.176 121.223 0.046 0.000 2.525 491 L HA 0.108 4.449 4.340 0.001 0.000 0.278 491 L C 0.555 177.458 176.870 0.054 0.000 1.218 491 L CA -0.055 54.813 54.840 0.047 0.000 0.878 491 L CB 0.293 42.411 42.059 0.097 0.000 1.127 491 L HN 0.293 nan 8.230 nan 0.000 0.492 492 E N 1.953 122.174 120.200 0.035 0.000 2.232 492 E HA 0.360 4.711 4.350 0.001 0.000 0.264 492 E C -0.911 175.708 176.600 0.031 0.000 0.973 492 E CA -0.724 55.694 56.400 0.029 0.000 0.849 492 E CB 1.744 31.456 29.700 0.019 0.000 1.198 492 E HN 0.192 nan 8.360 nan 0.000 0.407 493 V N 2.642 122.569 119.914 0.023 0.000 2.788 493 V HA -0.040 4.081 4.120 0.001 0.000 0.307 493 V C 0.326 176.439 176.094 0.032 0.000 1.069 493 V CA 0.381 62.694 62.300 0.021 0.000 1.173 493 V CB 0.669 32.500 31.823 0.013 0.000 0.925 493 V HN 0.620 nan 8.190 nan 0.000 0.492 494 D N 4.080 124.502 120.400 0.038 0.000 2.336 494 D HA 0.308 4.949 4.640 0.001 0.000 0.249 494 D C 0.861 177.214 176.300 0.088 0.000 1.213 494 D CA 0.547 54.584 54.000 0.063 0.000 0.870 494 D CB 1.673 42.514 40.800 0.068 0.000 1.076 494 D HN 0.803 nan 8.370 nan 0.000 0.483 495 E N 1.988 122.231 120.200 0.072 0.000 2.447 495 E HA -0.032 4.319 4.350 0.001 0.000 0.195 495 E C 1.623 178.267 176.600 0.073 0.000 1.028 495 E CA 0.541 56.980 56.400 0.065 0.000 0.876 495 E CB -0.332 29.392 29.700 0.040 0.000 0.885 495 E HN 0.509 nan 8.360 nan 0.000 0.500 496 T N -0.261 114.346 114.554 0.090 0.000 2.978 496 T HA 0.074 4.425 4.350 0.001 0.000 0.262 496 T C 0.704 175.467 174.700 0.106 0.000 1.063 496 T CA 0.179 62.328 62.100 0.081 0.000 1.140 496 T CB -0.430 68.485 68.868 0.078 0.000 0.886 496 T HN 0.533 nan 8.240 nan 0.000 0.470 497 Y N 3.184 123.499 120.300 0.025 0.000 2.810 497 Y HA 0.169 4.720 4.550 0.001 0.000 0.332 497 Y C -0.280 175.637 175.900 0.028 0.000 1.243 497 Y CA -0.644 57.474 58.100 0.030 0.000 1.537 497 Y CB 0.178 38.659 38.460 0.036 0.000 1.265 497 Y HN -0.129 nan 8.280 nan 0.000 0.572 498 V N 9.234 128.700 119.914 -0.747 0.000 2.398 498 V HA 0.305 4.425 4.120 0.001 0.000 0.286 498 V C -2.028 173.502 176.094 -0.941 0.000 1.026 498 V CA -2.178 59.777 62.300 -0.574 0.000 0.868 498 V CB 1.235 32.874 31.823 -0.306 0.000 0.982 498 V HN 0.735 nan 8.190 nan 0.000 0.443 499 P HA 0.052 nan 4.420 nan 0.000 0.265 499 P C -0.207 177.088 177.300 -0.007 0.000 1.187 499 P CA -0.083 62.938 63.100 -0.132 0.000 0.766 499 P CB 0.328 32.016 31.700 -0.019 0.000 0.820 500 K N 1.478 121.999 120.400 0.203 0.000 2.368 500 K HA 0.091 4.412 4.320 0.001 0.000 0.282 500 K C 0.308 177.077 176.600 0.282 0.000 1.035 500 K CA -0.371 56.042 56.287 0.211 0.000 0.973 500 K CB 0.416 33.063 32.500 0.245 0.000 0.957 500 K HN 0.475 nan 8.250 nan 0.000 0.474 501 E N 2.007 122.312 120.200 0.173 0.000 2.414 501 E HA 0.036 4.387 4.350 0.001 0.000 0.263 501 E C -0.070 176.619 176.600 0.148 0.000 1.000 501 E CA -0.356 56.160 56.400 0.193 0.000 0.914 501 E CB 0.102 29.867 29.700 0.109 0.000 0.948 501 E HN 0.387 nan 8.360 nan 0.000 0.444 502 F N 4.841 124.766 119.950 -0.043 0.000 2.612 502 F HA 0.091 4.619 4.527 0.001 0.000 0.389 502 F C 0.495 176.244 175.800 -0.085 0.000 1.055 502 F CA 0.239 58.076 58.000 -0.273 0.000 1.232 502 F CB 0.344 39.223 39.000 -0.201 0.000 1.044 502 F HN 0.469 nan 8.300 nan 0.000 0.560 503 N N 5.454 123.688 118.700 -0.777 0.000 2.524 503 N HA 0.323 5.064 4.740 0.001 0.000 0.261 503 N C 0.442 175.341 175.510 -1.019 0.000 0.998 503 N CA 0.251 52.873 53.050 -0.714 0.000 0.915 503 N CB 1.649 39.896 38.487 -0.399 0.000 1.187 503 N HN 0.793 nan 8.380 nan 0.000 0.507 504 A N 3.724 125.953 122.820 -0.985 0.000 1.917 504 A HA -0.241 4.080 4.320 0.001 0.000 0.219 504 A C 2.009 179.437 177.584 -0.261 0.000 1.182 504 A CA 2.637 54.339 52.037 -0.558 0.000 0.633 504 A CB -1.086 17.799 19.000 -0.192 0.000 0.819 504 A HN 0.803 nan 8.150 nan 0.000 0.448 505 E N -0.929 119.115 120.200 -0.259 0.000 2.118 505 E HA -0.205 4.146 4.350 0.001 0.000 0.195 505 E C 1.946 178.379 176.600 -0.279 0.000 0.992 505 E CA 2.061 58.346 56.400 -0.192 0.000 0.804 505 E CB -1.830 27.770 29.700 -0.165 0.000 0.741 505 E HN 0.677 nan 8.360 nan 0.000 0.458 506 T N -0.287 113.993 114.554 -0.456 0.000 2.849 506 T HA -0.024 4.326 4.350 0.001 0.000 0.270 506 T C 0.471 174.683 174.700 -0.813 0.000 1.066 506 T CA 1.179 62.858 62.100 -0.703 0.000 1.130 506 T CB -0.276 67.984 68.868 -1.013 0.000 0.864 506 T HN 0.457 nan 8.240 nan 0.000 0.481 507 F N 1.625 121.553 119.950 -0.037 0.000 2.855 507 F HA 0.288 4.815 4.527 0.001 0.000 0.317 507 F C 0.382 176.331 175.800 0.249 0.000 1.169 507 F CA -1.036 57.074 58.000 0.184 0.000 1.299 507 F CB -0.233 38.949 39.000 0.302 0.000 0.962 507 F HN -0.121 nan 8.300 nan 0.000 0.506 508 T N -0.855 113.741 114.554 0.070 0.000 2.770 508 T HA 0.593 4.944 4.350 0.001 0.000 0.283 508 T C -0.751 173.912 174.700 -0.061 0.000 0.988 508 T CA -0.405 61.767 62.100 0.120 0.000 0.957 508 T CB 0.990 69.865 68.868 0.012 0.000 0.930 508 T HN -0.123 nan 8.240 nan 0.000 0.443 509 F N 1.818 121.912 119.950 0.240 0.000 2.467 509 F HA 0.496 5.023 4.527 0.001 0.000 0.336 509 F C 0.700 176.597 175.800 0.160 0.000 1.123 509 F CA -1.034 57.164 58.000 0.330 0.000 0.964 509 F CB 1.240 40.647 39.000 0.678 0.000 1.136 509 F HN 0.601 nan 8.300 nan 0.000 0.447 510 H N 0.389 119.566 119.070 0.178 0.000 2.517 510 H HA 0.544 5.101 4.556 0.001 0.000 0.346 510 H C 0.824 175.725 175.328 -0.712 0.000 1.222 510 H CA -0.188 55.778 56.048 -0.137 0.000 1.314 510 H CB 1.085 30.799 29.762 -0.081 0.000 1.609 510 H HN 0.683 nan 8.280 nan 0.000 0.571 511 A N 0.638 123.057 122.820 -0.668 0.000 2.125 511 A HA -0.183 4.138 4.320 0.001 0.000 0.219 511 A C 1.713 179.060 177.584 -0.394 0.000 1.156 511 A CA 1.467 53.009 52.037 -0.824 0.000 0.671 511 A CB -0.683 18.082 19.000 -0.392 0.000 0.794 511 A HN 0.900 nan 8.150 nan 0.000 0.459 512 D N 0.011 120.289 120.400 -0.205 0.000 2.265 512 D HA -0.161 4.480 4.640 0.001 0.000 0.208 512 D C 1.650 177.909 176.300 -0.069 0.000 0.977 512 D CA 1.378 55.317 54.000 -0.102 0.000 0.871 512 D CB -0.833 39.931 40.800 -0.060 0.000 0.925 512 D HN 0.324 nan 8.370 nan 0.000 0.485 513 I N 0.576 121.098 120.570 -0.080 0.000 2.614 513 I HA -0.189 3.982 4.170 0.001 0.000 0.258 513 I C 2.275 178.401 176.117 0.014 0.000 1.189 513 I CA 0.664 61.984 61.300 0.034 0.000 1.462 513 I CB -1.039 37.064 38.000 0.171 0.000 1.092 513 I HN 0.404 nan 8.210 nan 0.000 0.442 514 c N 0.466 119.036 118.600 -0.051 0.000 2.486 514 c HA -0.058 4.513 4.570 0.001 0.000 0.279 514 c C 2.900 176.980 174.090 -0.017 0.000 1.302 514 c CA 1.244 57.561 56.329 -0.020 0.000 1.720 514 c CB -1.683 40.808 42.510 -0.032 0.000 2.030 514 c HN 0.731 nan 8.230 nan 0.000 0.490 515 T N -0.708 113.828 114.554 -0.030 0.000 3.085 515 T HA 0.109 4.459 4.350 0.001 0.000 0.263 515 T C 0.566 175.261 174.700 -0.009 0.000 1.127 515 T CA 0.471 62.559 62.100 -0.020 0.000 1.103 515 T CB -0.490 68.362 68.868 -0.027 0.000 0.921 515 T HN 0.396 nan 8.240 nan 0.000 0.510 516 L N 2.894 124.117 121.223 -0.001 0.000 2.473 516 L HA 0.291 4.632 4.340 0.001 0.000 0.268 516 L C 0.947 177.823 176.870 0.009 0.000 1.215 516 L CA -0.701 54.145 54.840 0.010 0.000 0.823 516 L CB 0.568 42.644 42.059 0.029 0.000 1.099 516 L HN 0.352 nan 8.230 nan 0.000 0.483 517 S N -0.091 115.615 115.700 0.010 0.000 2.601 517 S HA 0.083 4.554 4.470 0.001 0.000 0.271 517 S C 0.758 175.360 174.600 0.003 0.000 1.305 517 S CA -0.701 57.502 58.200 0.005 0.000 1.022 517 S CB 1.654 64.858 63.200 0.007 0.000 0.940 517 S HN 0.644 nan 8.310 nan 0.000 0.525 518 E N 2.024 122.218 120.200 -0.011 0.000 2.095 518 E HA -0.291 4.060 4.350 0.001 0.000 0.212 518 E C 1.799 178.386 176.600 -0.022 0.000 1.044 518 E CA 2.360 58.741 56.400 -0.032 0.000 0.857 518 E CB -0.420 29.255 29.700 -0.042 0.000 0.764 518 E HN 0.832 nan 8.360 nan 0.000 0.462 519 K N -0.408 119.992 120.400 -0.001 0.000 1.977 519 K HA -0.274 4.046 4.320 0.001 0.000 0.218 519 K C 2.336 178.960 176.600 0.040 0.000 1.051 519 K CA 2.742 59.041 56.287 0.022 0.000 0.953 519 K CB -0.561 31.956 32.500 0.028 0.000 0.727 519 K HN 0.230 nan 8.250 nan 0.000 0.445 520 E N 1.119 121.342 120.200 0.039 0.000 2.273 520 E HA -0.271 4.080 4.350 0.001 0.000 0.198 520 E C 1.684 178.328 176.600 0.073 0.000 1.002 520 E CA 1.880 58.311 56.400 0.052 0.000 0.828 520 E CB -0.646 nan 29.700 nan 0.000 0.747 520 E HN 0.714 nan 8.360 nan 0.000 0.491 521 E N -0.630 119.607 120.200 0.062 0.000 2.086 521 E HA -0.167 4.184 4.350 0.001 0.000 0.190 521 E C 2.401 179.070 176.600 0.115 0.000 0.975 521 E CA 0.777 57.230 56.400 0.087 0.000 0.813 521 E CB -0.030 29.695 29.700 0.042 0.000 0.768 521 E HN 0.689 nan 8.360 nan 0.000 0.457 522 Q N 0.551 120.387 119.800 0.061 0.000 2.084 522 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 522 Q C 2.440 178.583 176.000 0.239 0.000 0.978 522 Q CA 1.498 57.370 55.803 0.116 0.000 0.844 522 Q CB -0.255 28.502 28.738 0.031 0.000 0.898 522 Q HN 0.431 nan 8.270 nan 0.000 0.426 523 I N 0.146 120.818 120.570 0.170 0.000 2.830 523 I HA -0.185 3.986 4.170 0.001 0.000 0.263 523 I C 2.164 178.374 176.117 0.156 0.000 1.230 523 I CA 1.309 62.701 61.300 0.153 0.000 1.480 523 I CB -0.111 37.954 38.000 0.108 0.000 1.095 523 I HN 0.041 nan 8.210 nan 0.000 0.455 524 K N 1.237 121.748 120.400 0.185 0.000 2.137 524 K HA -0.044 4.277 4.320 0.001 0.000 0.202 524 K C 2.003 178.789 176.600 0.310 0.000 1.052 524 K CA 1.388 57.807 56.287 0.220 0.000 0.961 524 K CB -0.556 32.094 32.500 0.251 0.000 0.741 524 K HN 0.476 nan 8.250 nan 0.000 0.452 525 K N 0.315 120.909 120.400 0.324 0.000 2.116 525 K HA -0.033 4.288 4.320 0.001 0.000 0.203 525 K C 2.540 179.254 176.600 0.190 0.000 1.052 525 K CA 1.266 57.732 56.287 0.298 0.000 0.952 525 K CB 0.112 32.838 32.500 0.377 0.000 0.729 525 K HN 0.456 nan 8.250 nan 0.000 0.446 526 Q N -0.011 119.912 119.800 0.205 0.000 2.224 526 Q HA -0.087 4.253 4.340 0.001 0.000 0.203 526 Q C 1.739 177.804 176.000 0.107 0.000 0.970 526 Q CA 1.341 57.224 55.803 0.134 0.000 0.865 526 Q CB 0.037 28.861 28.738 0.143 0.000 0.922 526 Q HN 0.264 nan 8.270 nan 0.000 0.445 527 T N 0.551 115.178 114.554 0.122 0.000 2.904 527 T HA -0.045 4.306 4.350 0.001 0.000 0.267 527 T C 1.851 176.612 174.700 0.101 0.000 1.059 527 T CA 1.011 63.165 62.100 0.089 0.000 1.137 527 T CB -0.073 68.836 68.868 0.069 0.000 0.879 527 T HN 0.355 nan 8.240 nan 0.000 0.467 528 A N 1.159 124.074 122.820 0.158 0.000 1.929 528 A HA 0.073 4.394 4.320 0.001 0.000 0.216 528 A C 2.163 179.890 177.584 0.237 0.000 1.176 528 A CA 0.886 53.070 52.037 0.246 0.000 0.628 528 A CB -0.646 18.601 19.000 0.413 0.000 0.816 528 A HN 0.388 nan 8.150 nan 0.000 0.444 529 L N -0.054 121.238 121.223 0.115 0.000 2.046 529 L HA -0.097 4.243 4.340 0.001 0.000 0.208 529 L C 2.391 179.317 176.870 0.093 0.000 1.077 529 L CA 1.806 56.687 54.840 0.068 0.000 0.747 529 L CB -0.562 41.506 42.059 0.016 0.000 0.896 529 L HN 0.154 nan 8.230 nan 0.000 0.432 530 V N -0.295 119.672 119.914 0.089 0.000 2.343 530 V HA -0.227 3.894 4.120 0.001 0.000 0.247 530 V C 2.621 178.792 176.094 0.128 0.000 1.051 530 V CA 1.691 64.038 62.300 0.080 0.000 1.036 530 V CB -0.637 31.222 31.823 0.059 0.000 0.654 530 V HN 0.447 nan 8.190 nan 0.000 0.451 531 E N -0.274 120.031 120.200 0.175 0.000 2.150 531 E HA -0.182 4.169 4.350 0.001 0.000 0.193 531 E C 2.050 178.928 176.600 0.463 0.000 0.985 531 E CA 0.958 57.510 56.400 0.253 0.000 0.814 531 E CB -0.346 29.424 29.700 0.118 0.000 0.752 531 E HN 0.471 nan 8.360 nan 0.000 0.466 532 L N 0.565 122.041 121.223 0.422 0.000 1.988 532 L HA -0.130 4.211 4.340 0.001 0.000 0.207 532 L C 2.308 179.295 176.870 0.195 0.000 1.071 532 L CA 1.411 56.404 54.840 0.255 0.000 0.744 532 L CB -0.789 41.306 42.059 0.060 0.000 0.893 532 L HN -0.111 nan 8.230 nan 0.000 0.433 533 V N -0.053 119.938 119.914 0.129 0.000 2.469 533 V HA -0.317 3.804 4.120 0.001 0.000 0.251 533 V C 2.545 178.718 176.094 0.131 0.000 1.064 533 V CA 2.020 64.371 62.300 0.086 0.000 1.066 533 V CB -0.811 31.035 31.823 0.038 0.000 0.667 533 V HN 0.467 nan 8.190 nan 0.000 0.461 534 K N -1.123 119.386 120.400 0.182 0.000 2.439 534 K HA -0.132 4.189 4.320 0.001 0.000 0.197 534 K C 2.021 178.853 176.600 0.387 0.000 1.041 534 K CA 0.890 57.322 56.287 0.243 0.000 0.970 534 K CB -0.083 32.541 32.500 0.205 0.000 0.773 534 K HN 0.574 nan 8.250 nan 0.000 0.479 535 H N 0.361 119.573 119.070 0.237 0.000 2.476 535 H HA 0.164 4.721 4.556 0.002 0.000 0.292 535 H C -0.133 175.280 175.328 0.143 0.000 1.019 535 H CA 0.714 56.896 56.048 0.223 0.000 1.330 535 H CB 0.710 30.643 29.762 0.286 0.000 1.451 535 H HN -0.255 nan 8.280 nan 0.000 0.535 536 K N 1.594 121.990 120.400 -0.007 0.000 2.842 536 K HA 0.205 4.526 4.320 0.001 0.000 0.176 536 K C -2.349 174.252 176.600 0.001 0.000 1.080 536 K CA -1.691 54.536 56.287 -0.100 0.000 0.954 536 K CB 1.537 33.954 32.500 -0.139 0.000 1.203 536 K HN 0.301 nan 8.250 nan 0.000 0.611 537 P HA -0.075 nan 4.420 nan 0.000 0.234 537 P C 0.558 177.878 177.300 0.034 0.000 1.167 537 P CA 0.596 63.741 63.100 0.075 0.000 0.763 537 P CB 0.570 32.378 31.700 0.181 0.000 0.835 538 K N -0.459 119.945 120.400 0.008 0.000 2.361 538 K HA 0.222 4.543 4.320 0.001 0.000 0.194 538 K C 1.192 177.780 176.600 -0.020 0.000 1.032 538 K CA -0.103 56.181 56.287 -0.006 0.000 1.048 538 K CB 0.058 32.550 32.500 -0.014 0.000 0.842 538 K HN 0.062 nan 8.250 nan 0.000 0.526 539 A N 2.077 124.880 122.820 -0.028 0.000 2.547 539 A HA 0.093 4.414 4.320 0.001 0.000 0.233 539 A C 0.641 178.208 177.584 -0.028 0.000 1.067 539 A CA 0.370 52.387 52.037 -0.034 0.000 0.763 539 A CB -0.085 18.891 19.000 -0.040 0.000 1.007 539 A HN 0.332 nan 8.150 nan 0.000 0.506 540 T N -0.761 113.775 114.554 -0.030 0.000 2.943 540 T HA 0.440 4.791 4.350 0.001 0.000 0.284 540 T C 0.839 175.522 174.700 -0.029 0.000 1.015 540 T CA -0.605 61.479 62.100 -0.027 0.000 1.042 540 T CB 1.255 70.109 68.868 -0.024 0.000 1.055 540 T HN 0.609 nan 8.240 nan 0.000 0.500 541 K N 0.589 120.972 120.400 -0.028 0.000 2.127 541 K HA -0.194 4.127 4.320 0.001 0.000 0.208 541 K C 2.773 179.358 176.600 -0.024 0.000 1.047 541 K CA 2.079 58.349 56.287 -0.029 0.000 0.927 541 K CB -0.630 31.854 32.500 -0.028 0.000 0.716 541 K HN 0.874 nan 8.250 nan 0.000 0.450 542 E N 1.706 121.893 120.200 -0.022 0.000 2.051 542 E HA -0.241 4.110 4.350 0.001 0.000 0.192 542 E C 1.877 178.464 176.600 -0.022 0.000 0.991 542 E CA 1.521 57.909 56.400 -0.019 0.000 0.799 542 E CB -0.666 29.024 29.700 -0.017 0.000 0.748 542 E HN 0.509 nan 8.360 nan 0.000 0.449 543 Q N -0.772 119.012 119.800 -0.027 0.000 2.020 543 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 543 Q C 2.389 178.368 176.000 -0.035 0.000 0.982 543 Q CA 1.360 57.143 55.803 -0.033 0.000 0.838 543 Q CB -0.206 28.509 28.738 -0.038 0.000 0.899 543 Q HN 0.387 nan 8.270 nan 0.000 0.423 544 L N 1.348 122.551 121.223 -0.035 0.000 2.012 544 L HA -0.225 4.115 4.340 0.001 0.000 0.210 544 L C 2.349 179.204 176.870 -0.025 0.000 1.073 544 L CA 1.933 56.752 54.840 -0.035 0.000 0.748 544 L CB -0.979 41.059 42.059 -0.035 0.000 0.891 544 L HN 0.167 nan 8.230 nan 0.000 0.431 545 K N 0.050 120.438 120.400 -0.020 0.000 2.160 545 K HA -0.166 4.154 4.320 0.001 0.000 0.206 545 K C 1.889 178.488 176.600 -0.002 0.000 1.047 545 K CA 1.745 58.026 56.287 -0.009 0.000 0.930 545 K CB -0.373 32.120 32.500 -0.010 0.000 0.720 545 K HN 0.256 nan 8.250 nan 0.000 0.450 546 A N 0.070 122.885 122.820 -0.010 0.000 1.897 546 A HA -0.016 4.304 4.320 0.001 0.000 0.215 546 A C 2.310 179.892 177.584 -0.003 0.000 1.181 546 A CA 1.473 53.505 52.037 -0.008 0.000 0.620 546 A CB -0.559 18.429 19.000 -0.019 0.000 0.821 546 A HN 0.131 nan 8.150 nan 0.000 0.443 547 V N 0.116 120.021 119.914 -0.014 0.000 2.427 547 V HA -0.277 3.844 4.120 0.001 0.000 0.248 547 V C 2.601 178.719 176.094 0.040 0.000 1.051 547 V CA 2.083 64.376 62.300 -0.012 0.000 1.048 547 V CB -0.687 31.105 31.823 -0.052 0.000 0.666 547 V HN 0.556 nan 8.190 nan 0.000 0.456 548 M N -0.459 119.165 119.600 0.040 0.000 2.175 548 M HA -0.148 4.333 4.480 0.001 0.000 0.264 548 M C 1.850 178.231 176.300 0.134 0.000 1.063 548 M CA 1.673 57.030 55.300 0.096 0.000 1.119 548 M CB -0.588 32.044 32.600 0.054 0.000 1.377 548 M HN 0.293 nan 8.290 nan 0.000 0.415 549 D N 0.652 121.097 120.400 0.076 0.000 2.144 549 D HA -0.124 4.517 4.640 0.001 0.000 0.200 549 D C 1.480 177.816 176.300 0.060 0.000 0.978 549 D CA 1.171 55.208 54.000 0.061 0.000 0.833 549 D CB -0.215 40.604 40.800 0.031 0.000 0.961 549 D HN 0.244 nan 8.370 nan 0.000 0.470 550 D N -0.673 119.762 120.400 0.058 0.000 2.077 550 D HA -0.112 4.529 4.640 0.001 0.000 0.196 550 D C 1.650 177.999 176.300 0.082 0.000 0.986 550 D CA 0.485 54.510 54.000 0.042 0.000 0.829 550 D CB -0.342 40.464 40.800 0.009 0.000 0.983 550 D HN 0.091 nan 8.370 nan 0.000 0.453 551 F N 1.575 121.510 119.950 -0.025 0.000 2.065 551 F HA -0.259 4.269 4.527 0.002 0.000 0.298 551 F C 2.146 177.986 175.800 0.066 0.000 1.112 551 F CA 1.864 59.869 58.000 0.008 0.000 1.212 551 F CB -0.637 38.337 39.000 -0.043 0.000 0.975 551 F HN -0.033 nan 8.300 nan 0.000 0.476 552 A N 0.649 123.541 122.820 0.121 0.000 1.881 552 A HA -0.261 4.060 4.320 0.001 0.000 0.219 552 A C 2.479 180.004 177.584 -0.098 0.000 1.215 552 A CA 2.912 54.958 52.037 0.015 0.000 0.648 552 A CB -1.795 17.258 19.000 0.088 0.000 0.832 552 A HN 0.636 nan 8.150 nan 0.000 0.455 553 A N -1.064 121.730 122.820 -0.044 0.000 1.849 553 A HA -0.063 4.257 4.320 0.001 0.000 0.217 553 A C 1.984 179.499 177.584 -0.114 0.000 1.202 553 A CA 2.018 54.020 52.037 -0.058 0.000 0.629 553 A CB -1.098 17.890 19.000 -0.019 0.000 0.834 553 A HN 0.972 nan 8.150 nan 0.000 0.447 554 F N 0.866 120.642 119.950 -0.289 0.000 2.100 554 F HA -0.342 4.186 4.527 0.001 0.000 0.293 554 F C 2.213 177.698 175.800 -0.524 0.000 1.137 554 F CA 2.395 60.152 58.000 -0.406 0.000 1.252 554 F CB -1.177 37.535 39.000 -0.479 0.000 0.934 554 F HN 0.066 nan 8.300 nan 0.000 0.524 555 V N 0.760 120.162 119.914 -0.853 0.000 2.217 555 V HA -0.427 3.694 4.120 0.001 0.000 0.248 555 V C 2.448 178.278 176.094 -0.441 0.000 1.050 555 V CA 2.568 64.386 62.300 -0.803 0.000 1.007 555 V CB -1.112 30.364 31.823 -0.578 0.000 0.639 555 V HN 0.610 nan 8.190 nan 0.000 0.452 556 E N 0.142 120.181 120.200 -0.268 0.000 2.136 556 E HA -0.385 3.966 4.350 0.001 0.000 0.208 556 E C 2.408 178.915 176.600 -0.154 0.000 1.035 556 E CA 2.759 59.066 56.400 -0.154 0.000 0.838 556 E CB -0.168 29.469 29.700 -0.106 0.000 0.748 556 E HN 0.401 nan 8.360 nan 0.000 0.459 557 K N 0.011 120.293 120.400 -0.197 0.000 1.985 557 K HA -0.129 4.192 4.320 0.001 0.000 0.210 557 K C 2.055 178.546 176.600 -0.182 0.000 1.047 557 K CA 1.583 57.772 56.287 -0.163 0.000 0.932 557 K CB -1.121 31.290 32.500 -0.149 0.000 0.716 557 K HN 0.559 nan 8.250 nan 0.000 0.439 558 c N 0.285 118.674 118.600 -0.352 0.000 2.430 558 c HA 0.068 4.639 4.570 0.001 0.000 0.288 558 c C 2.628 176.750 174.090 0.052 0.000 1.448 558 c CA 0.686 56.843 56.329 -0.286 0.000 1.784 558 c CB -1.854 40.089 42.510 -0.945 0.000 1.776 558 c HN 0.745 nan 8.230 nan 0.000 0.547 559 c N -0.922 117.690 118.600 0.020 0.000 2.799 559 c HA 0.062 4.633 4.570 0.001 0.000 0.267 559 c C 2.359 176.460 174.090 0.018 0.000 1.257 559 c CA 0.351 56.727 56.329 0.078 0.000 1.702 559 c CB -0.874 41.671 42.510 0.058 0.000 1.934 559 c HN 0.592 nan 8.230 nan 0.000 0.594 560 K N 0.212 120.607 120.400 -0.009 0.000 2.413 560 K HA 0.584 4.905 4.320 0.001 0.000 0.204 560 K C 0.226 176.820 176.600 -0.008 0.000 1.041 560 K CA 0.487 56.767 56.287 -0.012 0.000 1.082 560 K CB 0.316 32.801 32.500 -0.024 0.000 0.871 560 K HN 0.489 nan 8.250 nan 0.000 0.535 561 A N 0.441 123.260 122.820 -0.002 0.000 2.325 561 A HA 0.630 4.951 4.320 0.001 0.000 0.333 561 A C -0.045 177.549 177.584 0.017 0.000 1.155 561 A CA 0.016 52.054 52.037 0.002 0.000 0.814 561 A CB 0.758 19.753 19.000 -0.007 0.000 1.206 561 A HN 0.558 nan 8.150 nan 0.000 0.482 562 D N 0.193 120.601 120.400 0.014 0.000 2.443 562 D HA 0.387 5.028 4.640 0.001 0.000 0.239 562 D C 0.371 176.688 176.300 0.029 0.000 1.136 562 D CA 0.996 55.007 54.000 0.018 0.000 0.879 562 D CB 0.177 40.985 40.800 0.013 0.000 1.195 562 D HN 1.722 nan 8.370 nan 0.000 0.443 563 D N 0.704 121.123 120.400 0.031 0.000 3.241 563 D HA -0.157 4.484 4.640 0.001 0.000 0.248 563 D C 1.260 177.601 176.300 0.068 0.000 1.093 563 D CA 0.841 54.866 54.000 0.042 0.000 0.940 563 D CB -1.091 39.734 40.800 0.040 0.000 0.980 563 D HN 0.586 nan 8.370 nan 0.000 0.421 564 K N 0.612 121.055 120.400 0.071 0.000 1.965 564 K HA -0.157 4.164 4.320 0.001 0.000 0.214 564 K C 2.342 179.050 176.600 0.180 0.000 1.046 564 K CA 1.683 58.046 56.287 0.127 0.000 0.944 564 K CB -1.178 31.349 32.500 0.045 0.000 0.726 564 K HN 0.581 nan 8.250 nan 0.000 0.441 565 E N 0.851 121.110 120.200 0.097 0.000 2.197 565 E HA -0.232 4.119 4.350 0.001 0.000 0.205 565 E C 2.055 178.755 176.600 0.167 0.000 1.029 565 E CA 2.094 58.566 56.400 0.120 0.000 0.828 565 E CB -0.712 29.040 29.700 0.085 0.000 0.737 565 E HN 0.559 nan 8.360 nan 0.000 0.464 566 T N -0.646 113.990 114.554 0.136 0.000 2.668 566 T HA -0.170 4.181 4.350 0.001 0.000 0.262 566 T C 1.975 176.765 174.700 0.150 0.000 1.045 566 T CA 1.302 63.475 62.100 0.122 0.000 1.152 566 T CB -0.997 67.922 68.868 0.085 0.000 0.864 566 T HN 0.587 nan 8.240 nan 0.000 0.419 567 c N 0.995 119.682 118.600 0.145 0.000 2.349 567 c HA -0.199 4.372 4.570 0.001 0.000 0.274 567 c C 2.365 176.545 174.090 0.150 0.000 1.178 567 c CA 0.901 57.295 56.329 0.109 0.000 1.769 567 c CB -1.727 40.817 42.510 0.058 0.000 2.047 567 c HN 0.561 nan 8.230 nan 0.000 0.448 568 F N 1.203 121.181 119.950 0.047 0.000 2.307 568 F HA -0.057 4.471 4.527 0.001 0.000 0.301 568 F C 2.359 178.302 175.800 0.238 0.000 1.076 568 F CA 1.539 59.621 58.000 0.137 0.000 1.383 568 F CB -0.472 38.559 39.000 0.050 0.000 1.055 568 F HN 0.362 nan 8.300 nan 0.000 0.526 569 A N -0.583 122.414 122.820 0.296 0.000 1.997 569 A HA 0.145 4.465 4.320 0.001 0.000 0.212 569 A C 2.055 179.733 177.584 0.156 0.000 1.178 569 A CA 1.080 53.236 52.037 0.198 0.000 0.698 569 A CB -0.877 18.213 19.000 0.150 0.000 0.842 569 A HN 0.306 nan 8.150 nan 0.000 0.458 570 E N 0.508 120.796 120.200 0.147 0.000 2.014 570 E HA -0.133 4.218 4.350 0.001 0.000 0.190 570 E C 1.761 178.420 176.600 0.097 0.000 0.980 570 E CA 1.233 57.695 56.400 0.103 0.000 0.807 570 E CB -0.685 29.065 29.700 0.084 0.000 0.770 570 E HN 0.528 nan 8.360 nan 0.000 0.451 571 E N 0.408 120.694 120.200 0.144 0.000 2.150 571 E HA -0.059 4.291 4.350 0.001 0.000 0.193 571 E C 2.367 178.950 176.600 -0.029 0.000 0.985 571 E CA 0.931 57.410 56.400 0.131 0.000 0.814 571 E CB -0.666 29.219 29.700 0.308 0.000 0.752 571 E HN 0.527 nan 8.360 nan 0.000 0.466 572 G N 1.670 110.528 108.800 0.096 0.000 2.440 572 G HA2 -0.327 3.634 3.960 0.001 0.000 0.218 572 G HA3 -0.327 3.634 3.960 0.001 0.000 0.218 572 G C 1.927 176.789 174.900 -0.064 0.000 1.154 572 G CA 1.082 46.140 45.100 -0.070 0.000 0.767 572 G HN 0.205 nan 8.290 nan 0.000 0.552 573 K N 0.282 120.694 120.400 0.021 0.000 2.097 573 K HA 0.025 4.345 4.320 0.001 0.000 0.206 573 K C 2.573 179.159 176.600 -0.024 0.000 1.049 573 K CA 1.489 57.792 56.287 0.027 0.000 0.933 573 K CB -0.371 32.157 32.500 0.046 0.000 0.717 573 K HN 0.482 nan 8.250 nan 0.000 0.442 574 K N 0.032 120.400 120.400 -0.053 0.000 2.025 574 K HA -0.037 4.284 4.320 0.001 0.000 0.207 574 K C 2.242 178.770 176.600 -0.120 0.000 1.049 574 K CA 1.447 57.692 56.287 -0.071 0.000 0.933 574 K CB -0.371 32.094 32.500 -0.058 0.000 0.714 574 K HN 0.050 nan 8.250 nan 0.000 0.438 575 L N 1.038 122.129 121.223 -0.221 0.000 1.989 575 L HA -0.199 4.142 4.340 0.001 0.000 0.211 575 L C 2.122 178.892 176.870 -0.167 0.000 1.071 575 L CA 1.492 56.178 54.840 -0.258 0.000 0.749 575 L CB -0.389 41.358 42.059 -0.520 0.000 0.890 575 L HN -0.083 nan 8.230 nan 0.000 0.431 576 V N -0.041 119.798 119.914 -0.125 0.000 2.332 576 V HA -0.331 3.790 4.120 0.001 0.000 0.248 576 V C 2.740 178.774 176.094 -0.100 0.000 1.055 576 V CA 1.719 63.980 62.300 -0.065 0.000 1.038 576 V CB -1.324 30.546 31.823 0.078 0.000 0.651 576 V HN 0.628 nan 8.190 nan 0.000 0.450 577 A N -0.106 122.669 122.820 -0.074 0.000 1.877 577 A HA -0.112 4.209 4.320 0.001 0.000 0.216 577 A C 2.431 179.961 177.584 -0.090 0.000 1.186 577 A CA 2.186 54.178 52.037 -0.075 0.000 0.620 577 A CB -0.838 18.136 19.000 -0.044 0.000 0.822 577 A HN 0.567 nan 8.150 nan 0.000 0.443 578 A N -0.686 122.082 122.820 -0.086 0.000 1.873 578 A HA -0.058 4.263 4.320 0.001 0.000 0.215 578 A C 2.437 179.965 177.584 -0.093 0.000 1.186 578 A CA 2.041 54.030 52.037 -0.081 0.000 0.616 578 A CB -0.973 17.983 19.000 -0.074 0.000 0.823 578 A HN 0.446 nan 8.150 nan 0.000 0.442 579 S N -0.234 115.399 115.700 -0.111 0.000 2.400 579 S HA -0.212 4.258 4.470 0.001 0.000 0.232 579 S C 2.058 176.575 174.600 -0.137 0.000 1.025 579 S CA 1.572 59.699 58.200 -0.121 0.000 0.993 579 S CB -0.327 62.788 63.200 -0.142 0.000 0.808 579 S HN 0.682 nan 8.310 nan 0.000 0.478 580 Q N 0.525 120.227 119.800 -0.162 0.000 2.119 580 Q HA -0.005 4.336 4.340 0.001 0.000 0.201 580 Q C 2.490 178.414 176.000 -0.128 0.000 0.972 580 Q CA 1.312 57.007 55.803 -0.179 0.000 0.847 580 Q CB -0.303 28.289 28.738 -0.243 0.000 0.903 580 Q HN 0.612 nan 8.270 nan 0.000 0.433 581 A N 0.976 123.733 122.820 -0.105 0.000 1.929 581 A HA -0.031 4.290 4.320 0.001 0.000 0.216 581 A C 2.274 179.815 177.584 -0.072 0.000 1.176 581 A CA 1.351 53.340 52.037 -0.079 0.000 0.628 581 A CB -0.624 18.337 19.000 -0.065 0.000 0.816 581 A HN 0.373 nan 8.150 nan 0.000 0.444 582 A N -0.087 122.688 122.820 -0.075 0.000 1.902 582 A HA -0.000 4.321 4.320 0.001 0.000 0.217 582 A C 1.931 179.474 177.584 -0.068 0.000 1.181 582 A CA 1.423 53.421 52.037 -0.065 0.000 0.623 582 A CB -0.549 18.412 19.000 -0.064 0.000 0.818 582 A HN 0.465 nan 8.150 nan 0.000 0.443 583 L N -0.362 120.810 121.223 -0.085 0.000 2.599 583 L HA 0.196 4.537 4.340 0.001 0.000 0.230 583 L C 1.509 178.324 176.870 -0.091 0.000 1.141 583 L CA -0.014 54.773 54.840 -0.089 0.000 0.877 583 L CB -1.419 40.574 42.059 -0.109 0.000 1.009 583 L HN 0.566 nan 8.230 nan 0.000 0.447 584 G N 0.000 108.751 108.800 -0.082 0.000 5.446 584 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 584 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 584 G CA 0.000 45.056 45.100 -0.074 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925