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 1gnj_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 IcTLSEKERQ 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 0.000 175.319 175.328 -0.016 0.000 0.993 3 H CA 0.000 56.011 56.048 -0.062 0.000 1.023 3 H CB 0.000 29.666 29.762 -0.159 0.000 1.292 4 K N 0.081 120.553 120.400 0.121 0.000 2.026 4 K HA 0.012 4.333 4.320 0.002 0.000 0.208 4 K C 0.250 176.898 176.600 0.080 0.000 1.048 4 K CA 1.627 57.958 56.287 0.073 0.000 0.929 4 K CB 0.078 32.605 32.500 0.044 0.000 0.713 4 K HN 0.213 nan 8.250 nan 0.000 0.439 5 S N -0.010 115.737 115.700 0.078 0.000 2.659 5 S HA 0.147 4.618 4.470 0.002 0.000 0.312 5 S C 0.229 174.888 174.600 0.097 0.000 1.114 5 S CA -0.653 57.588 58.200 0.069 0.000 1.063 5 S CB 1.397 64.602 63.200 0.008 0.000 0.996 5 S HN 0.133 nan 8.310 nan 0.000 0.478 6 E N 2.333 122.613 120.200 0.133 0.000 2.031 6 E HA -0.149 4.202 4.350 0.002 0.000 0.193 6 E C 1.998 178.693 176.600 0.159 0.000 0.994 6 E CA 1.793 58.292 56.400 0.165 0.000 0.800 6 E CB -0.150 29.647 29.700 0.162 0.000 0.752 6 E HN 0.718 nan 8.360 nan 0.000 0.447 7 V N 0.853 120.858 119.914 0.152 0.000 2.252 7 V HA -0.307 3.814 4.120 0.002 0.000 0.249 7 V C 2.428 178.577 176.094 0.091 0.000 1.056 7 V CA 1.940 64.342 62.300 0.170 0.000 1.022 7 V CB -1.396 30.515 31.823 0.147 0.000 0.641 7 V HN 0.270 nan 8.190 nan 0.000 0.445 8 A N -0.387 122.437 122.820 0.006 0.000 1.892 8 A HA -0.323 3.998 4.320 0.002 0.000 0.218 8 A C 2.288 179.926 177.584 0.089 0.000 1.188 8 A CA 2.354 54.379 52.037 -0.020 0.000 0.631 8 A CB -1.156 17.814 19.000 -0.051 0.000 0.822 8 A HN 0.812 nan 8.150 nan 0.000 0.447 9 H N -0.781 118.260 119.070 -0.048 0.000 2.290 9 H HA -0.129 4.428 4.556 0.002 0.000 0.298 9 H C 2.390 177.704 175.328 -0.023 0.000 1.087 9 H CA 1.343 57.326 56.048 -0.108 0.000 1.291 9 H CB 0.049 29.656 29.762 -0.258 0.000 1.369 9 H HN 0.304 nan 8.280 nan 0.000 0.492 10 R N 0.074 120.562 120.500 -0.020 0.000 2.091 10 R HA -0.163 4.178 4.340 0.002 0.000 0.238 10 R C 2.352 178.688 176.300 0.059 0.000 1.136 10 R CA 1.089 57.176 56.100 -0.022 0.000 0.959 10 R CB -1.274 29.113 30.300 0.145 0.000 0.856 10 R HN 0.358 nan 8.270 nan 0.000 0.437 11 F N 2.269 122.168 119.950 -0.084 0.000 2.095 11 F HA -0.206 4.322 4.527 0.002 0.000 0.298 11 F C 2.245 177.949 175.800 -0.159 0.000 1.104 11 F CA 1.664 59.485 58.000 -0.299 0.000 1.232 11 F CB -0.029 38.638 39.000 -0.555 0.000 0.987 11 F HN -0.097 nan 8.300 nan 0.000 0.475 12 K N -0.245 120.193 120.400 0.063 0.000 2.002 12 K HA -0.204 4.117 4.320 0.002 0.000 0.209 12 K C 1.107 177.670 176.600 -0.061 0.000 1.048 12 K CA 1.824 58.123 56.287 0.021 0.000 0.930 12 K CB -0.565 31.986 32.500 0.086 0.000 0.714 12 K HN 0.430 nan 8.250 nan 0.000 0.438 13 D N -0.348 120.002 120.400 -0.084 0.000 2.370 13 D HA -0.003 4.638 4.640 0.002 0.000 0.230 13 D C 0.959 177.207 176.300 -0.087 0.000 1.143 13 D CA 0.097 54.047 54.000 -0.084 0.000 0.834 13 D CB 0.412 41.157 40.800 -0.092 0.000 0.944 13 D HN -0.016 nan 8.370 nan 0.000 0.504 14 L N -0.090 121.065 121.223 -0.114 0.000 2.713 14 L HA 0.483 4.824 4.340 0.002 0.000 0.223 14 L C 0.808 177.596 176.870 -0.137 0.000 1.040 14 L CA 1.336 56.127 54.840 -0.083 0.000 0.894 14 L CB 0.312 42.361 42.059 -0.018 0.000 1.361 14 L HN 0.340 nan 8.230 nan 0.000 0.490 15 G N 0.284 108.900 108.800 -0.307 0.000 2.712 15 G HA2 -0.187 3.774 3.960 0.002 0.000 0.686 15 G HA3 -0.187 3.774 3.960 0.002 0.000 0.686 15 G C 0.372 174.973 174.900 -0.499 0.000 1.181 15 G CA 0.124 45.003 45.100 -0.368 0.000 0.762 15 G HN 0.265 nan 8.290 nan 0.000 0.641 16 E N 0.170 120.022 120.200 -0.579 0.000 2.049 16 E HA -0.219 4.132 4.350 0.002 0.000 0.198 16 E C 2.152 178.743 176.600 -0.016 0.000 1.007 16 E CA 1.852 58.050 56.400 -0.337 0.000 0.809 16 E CB -0.042 29.650 29.700 -0.013 0.000 0.749 16 E HN 0.573 nan 8.360 nan 0.000 0.450 17 E N 0.633 120.829 120.200 -0.007 0.000 2.049 17 E HA -0.204 4.147 4.350 0.002 0.000 0.198 17 E C 1.895 178.531 176.600 0.060 0.000 1.007 17 E CA 1.092 57.521 56.400 0.049 0.000 0.809 17 E CB -0.514 29.211 29.700 0.041 0.000 0.749 17 E HN 0.348 nan 8.360 nan 0.000 0.450 18 N N 0.271 118.990 118.700 0.031 0.000 2.142 18 N HA -0.125 4.616 4.740 0.002 0.000 0.186 18 N C 1.792 177.328 175.510 0.044 0.000 1.023 18 N CA 0.552 53.621 53.050 0.031 0.000 0.852 18 N CB -0.579 37.920 38.487 0.020 0.000 0.998 18 N HN 0.116 nan 8.380 nan 0.000 0.424 19 F N 2.254 122.141 119.950 -0.105 0.000 2.069 19 F HA -0.198 4.330 4.527 0.002 0.000 0.298 19 F C 2.162 177.971 175.800 0.014 0.000 1.113 19 F CA 1.649 59.612 58.000 -0.062 0.000 1.214 19 F CB -0.056 38.884 39.000 -0.099 0.000 0.978 19 F HN -0.095 nan 8.300 nan 0.000 0.474 20 K N 0.102 120.666 120.400 0.274 0.000 2.063 20 K HA -0.164 4.157 4.320 0.002 0.000 0.208 20 K C 2.267 178.899 176.600 0.052 0.000 1.048 20 K CA 1.335 57.731 56.287 0.181 0.000 0.928 20 K CB -0.584 32.043 32.500 0.212 0.000 0.713 20 K HN 0.378 nan 8.250 nan 0.000 0.442 21 A N 1.053 123.895 122.820 0.036 0.000 1.902 21 A HA -0.121 4.200 4.320 0.002 0.000 0.217 21 A C 2.107 179.650 177.584 -0.068 0.000 1.181 21 A CA 1.259 53.301 52.037 0.007 0.000 0.623 21 A CB -0.567 18.442 19.000 0.015 0.000 0.818 21 A HN 0.157 nan 8.150 nan 0.000 0.443 22 L N -0.697 120.441 121.223 -0.142 0.000 2.072 22 L HA -0.121 4.219 4.340 0.002 0.000 0.205 22 L C 2.501 179.205 176.870 -0.277 0.000 1.079 22 L CA 0.824 55.525 54.840 -0.232 0.000 0.752 22 L CB -0.469 41.420 42.059 -0.283 0.000 0.906 22 L HN 0.229 nan 8.230 nan 0.000 0.436 23 V N -0.021 119.701 119.914 -0.320 0.000 2.343 23 V HA -0.289 3.832 4.120 0.002 0.000 0.247 23 V C 2.391 178.429 176.094 -0.094 0.000 1.051 23 V CA 1.611 63.727 62.300 -0.308 0.000 1.036 23 V CB -0.405 31.259 31.823 -0.265 0.000 0.654 23 V HN 0.321 nan 8.190 nan 0.000 0.451 24 L N 0.259 121.481 121.223 -0.002 0.000 1.970 24 L HA -0.170 4.171 4.340 0.002 0.000 0.212 24 L C 2.213 179.088 176.870 0.008 0.000 1.071 24 L CA 2.029 56.914 54.840 0.076 0.000 0.751 24 L CB -0.623 41.490 42.059 0.090 0.000 0.889 24 L HN 0.230 nan 8.230 nan 0.000 0.432 25 I N -0.211 120.326 120.570 -0.056 0.000 2.151 25 I HA -0.355 3.816 4.170 0.002 0.000 0.243 25 I C 2.626 178.675 176.117 -0.113 0.000 1.080 25 I CA 1.378 62.623 61.300 -0.092 0.000 1.339 25 I CB -0.767 37.151 38.000 -0.137 0.000 1.039 25 I HN 0.428 nan 8.210 nan 0.000 0.409 26 A N 0.740 123.454 122.820 -0.178 0.000 1.883 26 A HA -0.220 4.101 4.320 0.002 0.000 0.217 26 A C 2.103 179.712 177.584 0.043 0.000 1.186 26 A CA 1.705 53.626 52.037 -0.194 0.000 0.624 26 A CB -0.949 17.755 19.000 -0.493 0.000 0.822 26 A HN 0.318 nan 8.150 nan 0.000 0.444 27 F N 0.064 120.072 119.950 0.096 0.000 2.146 27 F HA -0.030 4.498 4.527 0.002 0.000 0.298 27 F C 2.835 178.561 175.800 -0.123 0.000 1.096 27 F CA 0.595 58.644 58.000 0.081 0.000 1.275 27 F CB -0.896 38.113 39.000 0.015 0.000 1.008 27 F HN 0.255 nan 8.300 nan 0.000 0.480 28 A N -0.516 122.215 122.820 -0.148 0.000 1.978 28 A HA -0.241 4.080 4.320 0.002 0.000 0.220 28 A C 2.113 179.674 177.584 -0.039 0.000 1.170 28 A CA 1.687 53.602 52.037 -0.203 0.000 0.636 28 A CB -0.781 18.151 19.000 -0.114 0.000 0.810 28 A HN 0.494 nan 8.150 nan 0.000 0.448 29 Q N -2.303 117.474 119.800 -0.039 0.000 2.297 29 Q HA -0.117 4.224 4.340 0.002 0.000 0.204 29 Q C 1.526 177.419 176.000 -0.179 0.000 0.962 29 Q CA 1.388 57.104 55.803 -0.145 0.000 0.879 29 Q CB -0.125 28.459 28.738 -0.258 0.000 0.947 29 Q HN 0.888 nan 8.270 nan 0.000 0.462 30 Y N -0.720 119.572 120.300 -0.014 0.000 2.314 30 Y HA 0.019 4.570 4.550 0.002 0.000 0.294 30 Y C 0.620 176.474 175.900 -0.077 0.000 1.139 30 Y CA 0.054 58.138 58.100 -0.027 0.000 1.162 30 Y CB 0.584 39.051 38.460 0.013 0.000 1.121 30 Y HN -0.023 nan 8.280 nan 0.000 0.529 31 L N 1.899 123.235 121.223 0.187 0.000 2.536 31 L HA 0.169 4.510 4.340 0.002 0.000 0.242 31 L C 0.870 177.939 176.870 0.332 0.000 1.280 31 L CA 0.267 55.171 54.840 0.106 0.000 1.221 31 L CB -0.068 42.139 42.059 0.247 0.000 1.449 31 L HN 0.273 nan 8.230 nan 0.000 0.405 32 Q N -0.484 119.452 119.800 0.227 0.000 2.364 32 Q HA -0.150 4.191 4.340 0.002 0.000 0.209 32 Q C 1.294 177.455 176.000 0.269 0.000 0.977 32 Q CA 1.021 56.947 55.803 0.203 0.000 0.885 32 Q CB 0.234 29.036 28.738 0.106 0.000 0.941 32 Q HN 0.549 nan 8.270 nan 0.000 0.464 33 Q N -0.684 119.371 119.800 0.425 0.000 2.339 33 Q HA 0.043 4.384 4.340 0.002 0.000 0.205 33 Q C 0.630 176.754 176.000 0.207 0.000 0.925 33 Q CA 0.210 56.169 55.803 0.260 0.000 0.898 33 Q CB 0.244 29.024 28.738 0.070 0.000 1.013 33 Q HN 0.321 nan 8.270 nan 0.000 0.504 34 C N 3.906 123.375 119.300 0.282 0.000 2.703 34 C HA 0.157 4.618 4.460 0.002 0.000 0.411 34 C C -1.541 173.495 174.990 0.077 0.000 1.290 34 C CA -0.939 58.109 59.018 0.050 0.000 2.054 34 C CB 0.114 27.741 27.740 -0.188 0.000 2.732 34 C HN 0.305 nan 8.230 nan 0.000 0.650 35 P HA 0.071 nan 4.420 nan 0.000 0.274 35 P C 0.582 177.797 177.300 -0.142 0.000 1.256 35 P CA -0.172 62.942 63.100 0.023 0.000 0.795 35 P CB 0.430 32.115 31.700 -0.025 0.000 1.038 36 F N 1.840 121.496 119.950 -0.490 0.000 2.069 36 F HA -0.237 4.291 4.527 0.002 0.000 0.298 36 F C 1.854 177.439 175.800 -0.358 0.000 1.113 36 F CA 2.119 59.651 58.000 -0.779 0.000 1.214 36 F CB -0.896 37.644 39.000 -0.766 0.000 0.978 36 F HN 0.257 nan 8.300 nan 0.000 0.474 37 E N 0.239 120.231 120.200 -0.348 0.000 2.160 37 E HA -0.206 4.145 4.350 0.002 0.000 0.195 37 E C 1.704 178.100 176.600 -0.340 0.000 0.991 37 E CA 1.605 57.786 56.400 -0.366 0.000 0.810 37 E CB -0.659 28.941 29.700 -0.168 0.000 0.742 37 E HN 0.470 nan 8.360 nan 0.000 0.466 38 D N -0.433 119.778 120.400 -0.315 0.000 2.117 38 D HA -0.117 4.524 4.640 0.002 0.000 0.198 38 D C 1.691 177.786 176.300 -0.342 0.000 0.982 38 D CA 1.008 54.819 54.000 -0.314 0.000 0.828 38 D CB -0.089 40.510 40.800 -0.334 0.000 0.967 38 D HN 0.265 nan 8.370 nan 0.000 0.464 39 H N -0.247 118.650 119.070 -0.288 0.000 2.389 39 H HA 0.012 4.569 4.556 0.002 0.000 0.299 39 H C 2.271 177.428 175.328 -0.285 0.000 1.081 39 H CA 0.580 56.475 56.048 -0.255 0.000 1.345 39 H CB -0.391 29.300 29.762 -0.119 0.000 1.393 39 H HN 0.041 nan 8.280 nan 0.000 0.520 40 V N 1.321 121.039 119.914 -0.328 0.000 2.392 40 V HA -0.253 3.868 4.120 0.002 0.000 0.249 40 V C 2.600 178.589 176.094 -0.175 0.000 1.059 40 V CA 1.940 64.046 62.300 -0.322 0.000 1.051 40 V CB -0.427 31.078 31.823 -0.529 0.000 0.658 40 V HN 0.331 nan 8.190 nan 0.000 0.455 41 K N 0.019 120.306 120.400 -0.189 0.000 2.026 41 K HA -0.167 4.154 4.320 0.002 0.000 0.208 41 K C 2.159 178.696 176.600 -0.106 0.000 1.048 41 K CA 1.595 57.801 56.287 -0.134 0.000 0.929 41 K CB -0.225 32.186 32.500 -0.149 0.000 0.713 41 K HN 0.402 nan 8.250 nan 0.000 0.439 42 L N 0.626 121.756 121.223 -0.155 0.000 2.017 42 L HA -0.204 4.137 4.340 0.002 0.000 0.208 42 L C 2.445 179.327 176.870 0.020 0.000 1.073 42 L CA 0.994 55.732 54.840 -0.171 0.000 0.745 42 L CB -0.515 41.246 42.059 -0.498 0.000 0.894 42 L HN 0.055 nan 8.230 nan 0.000 0.432 43 V N 0.287 120.246 119.914 0.074 0.000 2.252 43 V HA -0.333 3.788 4.120 0.002 0.000 0.249 43 V C 2.318 178.506 176.094 0.156 0.000 1.056 43 V CA 2.094 64.496 62.300 0.169 0.000 1.022 43 V CB -0.750 31.145 31.823 0.121 0.000 0.641 43 V HN 0.509 nan 8.190 nan 0.000 0.445 44 N N 0.168 118.916 118.700 0.081 0.000 2.036 44 N HA -0.219 4.522 4.740 0.002 0.000 0.195 44 N C 1.847 177.413 175.510 0.093 0.000 1.037 44 N CA 1.917 55.013 53.050 0.078 0.000 0.855 44 N CB -0.390 38.111 38.487 0.025 0.000 1.033 44 N HN 0.629 nan 8.380 nan 0.000 0.423 45 E N 0.274 120.512 120.200 0.064 0.000 2.085 45 E HA -0.099 4.252 4.350 0.002 0.000 0.194 45 E C 2.008 178.698 176.600 0.149 0.000 0.994 45 E CA 0.820 57.262 56.400 0.069 0.000 0.801 45 E CB 0.038 29.744 29.700 0.009 0.000 0.743 45 E HN 0.088 nan 8.360 nan 0.000 0.453 46 V N 0.864 120.902 119.914 0.208 0.000 2.453 46 V HA -0.199 3.922 4.120 0.002 0.000 0.247 46 V C 2.209 178.548 176.094 0.408 0.000 1.048 46 V CA 1.911 64.409 62.300 0.331 0.000 1.049 46 V CB -0.466 31.584 31.823 0.378 0.000 0.672 46 V HN 0.325 nan 8.190 nan 0.000 0.457 47 T N -0.645 114.124 114.554 0.358 0.000 2.777 47 T HA -0.185 4.166 4.350 0.002 0.000 0.266 47 T C 1.928 176.658 174.700 0.050 0.000 1.040 47 T CA 1.566 63.844 62.100 0.296 0.000 1.141 47 T CB -0.163 68.884 68.868 0.299 0.000 0.868 47 T HN 0.356 nan 8.240 nan 0.000 0.444 48 E N 0.680 120.932 120.200 0.086 0.000 2.051 48 E HA -0.060 4.291 4.350 0.002 0.000 0.192 48 E C 1.682 178.295 176.600 0.021 0.000 0.991 48 E CA 0.753 57.168 56.400 0.024 0.000 0.799 48 E CB -0.562 29.172 29.700 0.056 0.000 0.748 48 E HN 0.438 nan 8.360 nan 0.000 0.449 49 F N 0.945 120.874 119.950 -0.036 0.000 2.065 49 F HA -0.270 4.258 4.527 0.001 0.000 0.298 49 F C 2.084 177.816 175.800 -0.112 0.000 1.112 49 F CA 1.947 59.924 58.000 -0.038 0.000 1.212 49 F CB -1.004 38.011 39.000 0.026 0.000 0.975 49 F HN 0.063 nan 8.300 nan 0.000 0.476 50 A N 0.230 122.911 122.820 -0.231 0.000 1.892 50 A HA -0.290 4.031 4.320 0.002 0.000 0.218 50 A C 2.293 179.429 177.584 -0.747 0.000 1.188 50 A CA 2.299 54.006 52.037 -0.550 0.000 0.631 50 A CB -0.879 17.721 19.000 -0.668 0.000 0.822 50 A HN 0.527 nan 8.150 nan 0.000 0.447 51 K N -1.250 118.726 120.400 -0.708 0.000 2.097 51 K HA -0.100 4.221 4.320 0.002 0.000 0.206 51 K C 2.097 178.473 176.600 -0.373 0.000 1.049 51 K CA 1.626 57.563 56.287 -0.583 0.000 0.933 51 K CB -0.383 31.882 32.500 -0.390 0.000 0.717 51 K HN 0.481 nan 8.250 nan 0.000 0.442 52 T N 0.598 114.953 114.554 -0.332 0.000 2.746 52 T HA -0.156 4.195 4.350 0.002 0.000 0.267 52 T C 1.980 176.502 174.700 -0.297 0.000 1.039 52 T CA 1.176 63.121 62.100 -0.258 0.000 1.142 52 T CB -0.242 68.500 68.868 -0.210 0.000 0.866 52 T HN 0.331 nan 8.240 nan 0.000 0.444 53 c N 0.703 119.042 118.600 -0.435 0.000 2.464 53 c HA 0.115 4.686 4.570 0.002 0.000 0.278 53 c C 2.769 176.714 174.090 -0.242 0.000 1.375 53 c CA -0.205 55.910 56.329 -0.358 0.000 1.761 53 c CB -0.995 41.235 42.510 -0.467 0.000 1.944 53 c HN 0.345 nan 8.230 nan 0.000 0.509 54 V N 1.457 121.205 119.914 -0.277 0.000 2.515 54 V HA -0.170 3.951 4.120 0.002 0.000 0.250 54 V C 2.646 178.666 176.094 -0.124 0.000 1.058 54 V CA 2.187 64.377 62.300 -0.183 0.000 1.064 54 V CB -1.001 30.689 31.823 -0.222 0.000 0.675 54 V HN 0.595 nan 8.190 nan 0.000 0.461 55 A N -0.941 121.794 122.820 -0.141 0.000 1.970 55 A HA -0.058 4.263 4.320 0.002 0.000 0.216 55 A C 1.212 178.751 177.584 -0.075 0.000 1.170 55 A CA 1.378 53.358 52.037 -0.094 0.000 0.645 55 A CB 0.000 18.943 19.000 -0.095 0.000 0.816 55 A HN 0.512 nan 8.150 nan 0.000 0.447 56 D N -1.163 119.183 120.400 -0.090 0.000 2.328 56 D HA 0.250 4.891 4.640 0.002 0.000 0.243 56 D C 0.168 176.426 176.300 -0.070 0.000 1.324 56 D CA -0.315 53.646 54.000 -0.065 0.000 0.966 56 D CB 0.504 41.271 40.800 -0.054 0.000 1.324 56 D HN 0.242 nan 8.370 nan 0.000 0.549 57 E N 0.459 120.628 120.200 -0.051 0.000 2.284 57 E HA -0.139 4.212 4.350 0.002 0.000 0.200 57 E C 1.013 177.597 176.600 -0.026 0.000 1.008 57 E CA 1.171 57.548 56.400 -0.039 0.000 0.829 57 E CB 0.248 29.941 29.700 -0.013 0.000 0.744 57 E HN 0.216 nan 8.360 nan 0.000 0.491 58 S N -0.049 115.639 115.700 -0.021 0.000 2.556 58 S HA 0.253 4.724 4.470 0.002 0.000 0.216 58 S C 0.415 175.012 174.600 -0.005 0.000 0.970 58 S CA -0.127 58.070 58.200 -0.006 0.000 0.912 58 S CB 0.565 63.765 63.200 -0.001 0.000 0.790 58 S HN 0.306 nan 8.310 nan 0.000 0.504 59 A N 1.869 124.673 122.820 -0.026 0.000 2.466 59 A HA 0.295 4.616 4.320 0.002 0.000 0.238 59 A C 0.114 177.713 177.584 0.025 0.000 1.074 59 A CA -0.426 51.600 52.037 -0.017 0.000 0.774 59 A CB 0.040 19.003 19.000 -0.061 0.000 1.015 59 A HN 0.345 nan 8.150 nan 0.000 0.498 60 E N 2.101 122.335 120.200 0.056 0.000 2.708 60 E HA -0.009 4.342 4.350 0.002 0.000 0.260 60 E C 0.743 177.456 176.600 0.188 0.000 0.937 60 E CA 1.153 57.612 56.400 0.098 0.000 0.953 60 E CB -0.122 29.633 29.700 0.091 0.000 0.915 60 E HN 0.625 nan 8.360 nan 0.000 0.487 61 N N 0.787 119.594 118.700 0.177 0.000 2.927 61 N HA -0.274 4.467 4.740 0.002 0.000 0.215 61 N C 0.686 176.402 175.510 0.343 0.000 0.868 61 N CA 1.429 54.633 53.050 0.258 0.000 1.075 61 N CB -1.756 36.912 38.487 0.302 0.000 0.989 61 N HN 0.574 nan 8.380 nan 0.000 0.609 62 c N 1.481 120.214 118.600 0.220 0.000 2.409 62 c HA -0.156 4.415 4.570 0.002 0.000 0.288 62 c C 2.255 176.409 174.090 0.107 0.000 1.395 62 c CA 1.368 57.745 56.329 0.081 0.000 1.792 62 c CB -1.455 41.007 42.510 -0.081 0.000 1.847 62 c HN 0.679 nan 8.230 nan 0.000 0.534 63 D N 0.377 120.844 120.400 0.112 0.000 2.183 63 D HA -0.070 4.570 4.640 0.002 0.000 0.203 63 D C 0.919 177.290 176.300 0.119 0.000 0.969 63 D CA 0.641 54.700 54.000 0.097 0.000 0.842 63 D CB -0.264 40.583 40.800 0.078 0.000 0.957 63 D HN 0.183 nan 8.370 nan 0.000 0.484 64 K N 1.087 121.574 120.400 0.145 0.000 2.508 64 K HA 0.039 4.360 4.320 0.002 0.000 0.273 64 K C 0.681 177.375 176.600 0.156 0.000 0.964 64 K CA 0.201 56.575 56.287 0.144 0.000 0.948 64 K CB 0.522 33.113 32.500 0.151 0.000 0.917 64 K HN 0.398 nan 8.250 nan 0.000 0.512 65 S N 0.912 116.700 115.700 0.148 0.000 2.669 65 S HA 0.226 4.697 4.470 0.002 0.000 0.270 65 S C 1.643 176.338 174.600 0.158 0.000 1.225 65 S CA -0.779 57.516 58.200 0.159 0.000 0.991 65 S CB 0.638 63.943 63.200 0.175 0.000 0.987 65 S HN 0.492 nan 8.310 nan 0.000 0.552 66 L N 0.331 121.627 121.223 0.121 0.000 2.017 66 L HA -0.103 4.238 4.340 0.002 0.000 0.208 66 L C 2.612 179.497 176.870 0.025 0.000 1.073 66 L CA 1.709 56.574 54.840 0.042 0.000 0.745 66 L CB -0.951 41.058 42.059 -0.084 0.000 0.894 66 L HN 0.802 nan 8.230 nan 0.000 0.432 67 H N -0.847 118.278 119.070 0.092 0.000 2.352 67 H HA -0.156 4.401 4.556 0.001 0.000 0.299 67 H C 2.345 177.759 175.328 0.144 0.000 1.097 67 H CA 1.995 58.114 56.048 0.118 0.000 1.311 67 H CB -0.430 29.393 29.762 0.102 0.000 1.377 67 H HN 0.269 nan 8.280 nan 0.000 0.504 68 T N 0.785 115.481 114.554 0.236 0.000 2.674 68 T HA -0.132 4.219 4.350 0.002 0.000 0.265 68 T C 2.205 176.972 174.700 0.113 0.000 1.039 68 T CA 1.230 63.426 62.100 0.159 0.000 1.150 68 T CB -0.405 68.540 68.868 0.128 0.000 0.864 68 T HN 0.158 nan 8.240 nan 0.000 0.427 69 L N -0.200 121.090 121.223 0.112 0.000 1.970 69 L HA -0.067 4.274 4.340 0.002 0.000 0.212 69 L C 2.349 179.255 176.870 0.060 0.000 1.071 69 L CA 1.544 56.420 54.840 0.060 0.000 0.751 69 L CB -0.635 41.490 42.059 0.110 0.000 0.889 69 L HN 0.154 nan 8.230 nan 0.000 0.432 70 F N 0.973 120.883 119.950 -0.065 0.000 2.091 70 F HA -0.206 4.322 4.527 0.002 0.000 0.299 70 F C 2.227 177.947 175.800 -0.133 0.000 1.103 70 F CA 1.703 59.618 58.000 -0.141 0.000 1.228 70 F CB -0.815 38.017 39.000 -0.279 0.000 0.984 70 F HN 0.010 nan 8.300 nan 0.000 0.477 71 G N -0.419 108.336 108.800 -0.075 0.000 2.422 71 G HA2 -0.255 3.706 3.960 0.002 0.000 0.218 71 G HA3 -0.255 3.706 3.960 0.002 0.000 0.218 71 G C 1.411 176.247 174.900 -0.107 0.000 1.146 71 G CA 1.019 46.051 45.100 -0.113 0.000 0.769 71 G HN 0.351 nan 8.290 nan 0.000 0.547 72 D N 0.642 121.006 120.400 -0.061 0.000 2.084 72 D HA -0.065 4.576 4.640 0.002 0.000 0.194 72 D C 2.400 178.625 176.300 -0.124 0.000 0.990 72 D CA 0.722 54.684 54.000 -0.063 0.000 0.826 72 D CB -0.143 40.623 40.800 -0.057 0.000 0.971 72 D HN 0.053 nan 8.370 nan 0.000 0.453 73 K N 0.473 120.777 120.400 -0.160 0.000 2.152 73 K HA -0.108 4.213 4.320 0.002 0.000 0.206 73 K C 2.073 178.519 176.600 -0.257 0.000 1.048 73 K CA 0.202 56.384 56.287 -0.176 0.000 0.933 73 K CB -0.467 31.983 32.500 -0.083 0.000 0.721 73 K HN 0.118 nan 8.250 nan 0.000 0.447 74 L N 0.594 121.604 121.223 -0.355 0.000 2.027 74 L HA -0.142 4.199 4.340 0.002 0.000 0.206 74 L C 1.970 178.700 176.870 -0.233 0.000 1.074 74 L CA 1.482 56.063 54.840 -0.431 0.000 0.745 74 L CB -0.692 40.870 42.059 -0.829 0.000 0.898 74 L HN 0.090 nan 8.230 nan 0.000 0.433 75 c N -0.979 117.546 118.600 -0.125 0.000 2.485 75 c HA -0.030 4.541 4.570 0.002 0.000 0.283 75 c C 2.470 176.534 174.090 -0.044 0.000 1.478 75 c CA 0.836 57.158 56.329 -0.011 0.000 1.741 75 c CB -1.786 40.755 42.510 0.051 0.000 1.675 75 c HN 0.543 nan 8.230 nan 0.000 0.573 76 T N 0.301 114.795 114.554 -0.098 0.000 2.894 76 T HA -0.014 4.337 4.350 0.002 0.000 0.258 76 T C 0.915 175.562 174.700 -0.088 0.000 1.043 76 T CA 0.600 62.640 62.100 -0.099 0.000 1.141 76 T CB -0.020 68.765 68.868 -0.138 0.000 0.873 76 T HN 0.218 nan 8.240 nan 0.000 0.449 77 V N 2.771 122.622 119.914 -0.105 0.000 2.621 77 V HA -0.047 4.074 4.120 0.002 0.000 0.300 77 V C 1.583 177.661 176.094 -0.027 0.000 1.031 77 V CA 0.314 62.571 62.300 -0.071 0.000 1.210 77 V CB -0.191 31.610 31.823 -0.038 0.000 0.864 77 V HN 0.507 nan 8.190 nan 0.000 0.477 78 A N 5.149 127.946 122.820 -0.038 0.000 1.898 78 A HA -0.110 4.211 4.320 0.002 0.000 0.216 78 A C 2.170 179.745 177.584 -0.014 0.000 1.181 78 A CA 1.811 53.831 52.037 -0.027 0.000 0.620 78 A CB -0.589 18.387 19.000 -0.040 0.000 0.819 78 A HN 0.969 nan 8.150 nan 0.000 0.442 79 T N -2.001 112.542 114.554 -0.019 0.000 3.160 79 T HA 0.065 4.416 4.350 0.002 0.000 0.257 79 T C 1.467 176.169 174.700 0.003 0.000 1.147 79 T CA 0.763 62.845 62.100 -0.030 0.000 1.064 79 T CB -0.376 68.453 68.868 -0.065 0.000 0.949 79 T HN 0.099 nan 8.240 nan 0.000 0.526 80 L N 2.360 123.629 121.223 0.078 0.000 1.987 80 L HA -0.200 4.141 4.340 0.002 0.000 0.230 80 L C 2.782 179.742 176.870 0.149 0.000 1.089 80 L CA 2.347 57.307 54.840 0.200 0.000 0.802 80 L CB -0.835 41.309 42.059 0.142 0.000 0.905 80 L HN 0.370 nan 8.230 nan 0.000 0.441 81 R N -0.800 119.742 120.500 0.070 0.000 2.081 81 R HA -0.155 4.186 4.340 0.002 0.000 0.235 81 R C 2.160 178.459 176.300 -0.002 0.000 1.131 81 R CA 1.958 58.080 56.100 0.037 0.000 0.960 81 R CB -0.505 29.805 30.300 0.016 0.000 0.856 81 R HN 0.524 nan 8.270 nan 0.000 0.436 82 E N -0.134 120.050 120.200 -0.026 0.000 2.150 82 E HA -0.115 4.236 4.350 0.002 0.000 0.193 82 E C 1.843 178.377 176.600 -0.109 0.000 0.985 82 E CA 1.747 58.113 56.400 -0.057 0.000 0.814 82 E CB -0.875 28.791 29.700 -0.057 0.000 0.752 82 E HN 0.657 nan 8.360 nan 0.000 0.466 83 T N -0.945 113.503 114.554 -0.177 0.000 2.953 83 T HA 0.096 4.447 4.350 0.002 0.000 0.247 83 T C 1.068 175.471 174.700 -0.494 0.000 1.029 83 T CA 1.029 62.884 62.100 -0.408 0.000 1.144 83 T CB -0.151 68.299 68.868 -0.696 0.000 0.870 83 T HN 0.561 nan 8.240 nan 0.000 0.446 84 Y N 0.951 121.253 120.300 0.002 0.000 2.584 84 Y HA 0.467 5.018 4.550 0.002 0.000 0.254 84 Y C 1.913 177.798 175.900 -0.025 0.000 1.177 84 Y CA -0.706 57.398 58.100 0.006 0.000 1.216 84 Y CB -0.437 38.045 38.460 0.037 0.000 1.172 84 Y HN 0.314 nan 8.280 nan 0.000 0.529 85 G N 1.287 110.122 108.800 0.058 0.000 2.699 85 G HA2 -0.513 3.448 3.960 0.002 0.000 0.351 85 G HA3 -0.513 3.448 3.960 0.002 0.000 0.351 85 G C 1.395 176.291 174.900 -0.008 0.000 1.191 85 G CA 1.483 46.592 45.100 0.015 0.000 0.953 85 G HN 0.429 nan 8.290 nan 0.000 0.557 86 E N -0.302 119.857 120.200 -0.068 0.000 2.114 86 E HA -0.219 4.132 4.350 0.002 0.000 0.199 86 E C 2.558 179.011 176.600 -0.245 0.000 1.008 86 E CA 1.580 57.878 56.400 -0.169 0.000 0.810 86 E CB -0.191 29.346 29.700 -0.271 0.000 0.739 86 E HN 0.531 nan 8.360 nan 0.000 0.456 87 M N 0.237 119.702 119.600 -0.225 0.000 2.144 87 M HA -0.240 4.241 4.480 0.002 0.000 0.260 87 M C 2.222 178.544 176.300 0.037 0.000 1.067 87 M CA 1.733 56.980 55.300 -0.087 0.000 1.095 87 M CB -0.072 32.589 32.600 0.100 0.000 1.365 87 M HN 0.175 nan 8.290 nan 0.000 0.406 88 A N 0.126 122.980 122.820 0.058 0.000 1.978 88 A HA -0.210 4.111 4.320 0.002 0.000 0.220 88 A C 1.573 179.165 177.584 0.014 0.000 1.170 88 A CA 2.030 54.107 52.037 0.067 0.000 0.636 88 A CB -0.864 18.172 19.000 0.060 0.000 0.810 88 A HN 0.576 nan 8.150 nan 0.000 0.448 89 D N -0.569 119.817 120.400 -0.024 0.000 2.309 89 D HA -0.100 4.541 4.640 0.002 0.000 0.212 89 D C 1.818 178.081 176.300 -0.062 0.000 0.968 89 D CA 0.962 54.942 54.000 -0.033 0.000 0.882 89 D CB -0.465 40.316 40.800 -0.032 0.000 0.918 89 D HN 0.486 nan 8.370 nan 0.000 0.503 90 c N 0.285 118.816 118.600 -0.115 0.000 2.429 90 c HA -0.141 4.430 4.570 0.002 0.000 0.277 90 c C 2.898 176.847 174.090 -0.235 0.000 1.262 90 c CA 0.096 56.258 56.329 -0.280 0.000 1.733 90 c CB -0.964 41.125 42.510 -0.701 0.000 2.010 90 c HN 0.451 nan 8.230 nan 0.000 0.483 91 c N 1.173 119.716 118.600 -0.095 0.000 2.409 91 c HA -0.042 4.529 4.570 0.002 0.000 0.288 91 c C 2.676 176.760 174.090 -0.010 0.000 1.395 91 c CA 1.062 57.395 56.329 0.007 0.000 1.792 91 c CB -1.802 40.750 42.510 0.069 0.000 1.847 91 c HN 0.714 nan 8.230 nan 0.000 0.534 92 A N -0.365 122.437 122.820 -0.030 0.000 2.278 92 A HA 0.120 4.441 4.320 0.002 0.000 0.212 92 A C 0.726 178.296 177.584 -0.025 0.000 1.213 92 A CA 0.465 52.490 52.037 -0.019 0.000 0.840 92 A CB -0.109 18.881 19.000 -0.017 0.000 0.866 92 A HN 0.690 nan 8.150 nan 0.000 0.489 93 K N 0.286 120.661 120.400 -0.042 0.000 2.221 93 K HA 0.410 4.731 4.320 0.002 0.000 0.243 93 K C -0.482 176.107 176.600 -0.018 0.000 0.968 93 K CA -0.935 55.330 56.287 -0.037 0.000 0.846 93 K CB 0.794 33.255 32.500 -0.065 0.000 1.141 93 K HN 0.111 nan 8.250 nan 0.000 0.434 94 Q N 1.709 121.505 119.800 -0.007 0.000 2.373 94 Q HA -0.054 4.287 4.340 0.002 0.000 0.255 94 Q C 0.896 176.906 176.000 0.017 0.000 0.980 94 Q CA 0.348 56.156 55.803 0.009 0.000 0.882 94 Q CB 1.116 29.859 28.738 0.009 0.000 1.249 94 Q HN 0.620 nan 8.270 nan 0.000 0.438 95 E N 3.607 123.830 120.200 0.038 0.000 2.119 95 E HA -0.232 4.119 4.350 0.002 0.000 0.221 95 E C -0.935 175.692 176.600 0.045 0.000 1.062 95 E CA 2.636 59.073 56.400 0.062 0.000 0.894 95 E CB -1.155 28.590 29.700 0.074 0.000 0.785 95 E HN 0.546 nan 8.360 nan 0.000 0.472 96 P HA -0.170 nan 4.420 nan 0.000 0.214 96 P C 0.977 178.282 177.300 0.007 0.000 1.169 96 P CA 2.046 65.146 63.100 0.001 0.000 0.908 96 P CB -0.126 31.573 31.700 -0.001 0.000 0.791 97 E N -0.439 119.761 120.200 -0.001 0.000 2.106 97 E HA -0.130 4.221 4.350 0.002 0.000 0.192 97 E C 2.345 178.916 176.600 -0.049 0.000 0.984 97 E CA 0.785 57.175 56.400 -0.016 0.000 0.806 97 E CB -0.858 28.830 29.700 -0.021 0.000 0.750 97 E HN 0.226 nan 8.360 nan 0.000 0.458 98 R N 0.730 121.199 120.500 -0.051 0.000 2.080 98 R HA -0.228 4.113 4.340 0.002 0.000 0.236 98 R C 2.150 178.383 176.300 -0.111 0.000 1.137 98 R CA 1.960 57.974 56.100 -0.143 0.000 0.943 98 R CB -0.314 29.977 30.300 -0.014 0.000 0.846 98 R HN 0.186 nan 8.270 nan 0.000 0.431 99 N N 0.284 119.068 118.700 0.140 0.000 2.069 99 N HA -0.239 4.502 4.740 0.002 0.000 0.191 99 N C 1.676 177.306 175.510 0.200 0.000 1.031 99 N CA 1.951 55.186 53.050 0.309 0.000 0.852 99 N CB -0.227 38.396 38.487 0.227 0.000 1.018 99 N HN 0.205 nan 8.380 nan 0.000 0.423 100 E N 0.084 120.332 120.200 0.081 0.000 2.085 100 E HA -0.168 4.183 4.350 0.002 0.000 0.194 100 E C 2.111 178.716 176.600 0.008 0.000 0.994 100 E CA 1.092 57.526 56.400 0.055 0.000 0.801 100 E CB -1.029 28.701 29.700 0.050 0.000 0.743 100 E HN 0.517 nan 8.360 nan 0.000 0.453 101 c N -0.457 118.100 118.600 -0.072 0.000 2.425 101 c HA -0.094 4.477 4.570 0.002 0.000 0.277 101 c C 2.390 176.432 174.090 -0.080 0.000 1.280 101 c CA 0.638 56.885 56.329 -0.138 0.000 1.744 101 c CB -1.541 40.840 42.510 -0.215 0.000 1.989 101 c HN 0.444 nan 8.230 nan 0.000 0.491 102 F N 0.506 120.537 119.950 0.135 0.000 2.146 102 F HA -0.015 4.513 4.527 0.001 0.000 0.298 102 F C 2.122 178.043 175.800 0.202 0.000 1.096 102 F CA 1.095 59.225 58.000 0.217 0.000 1.275 102 F CB -1.164 37.969 39.000 0.222 0.000 1.008 102 F HN 0.090 nan 8.300 nan 0.000 0.480 103 L N 0.175 121.590 121.223 0.320 0.000 2.079 103 L HA -0.231 4.110 4.340 0.002 0.000 0.210 103 L C 2.213 179.109 176.870 0.044 0.000 1.081 103 L CA 1.776 56.697 54.840 0.136 0.000 0.752 103 L CB -1.361 40.691 42.059 -0.011 0.000 0.896 103 L HN 0.284 nan 8.230 nan 0.000 0.433 104 Q N -1.694 118.062 119.800 -0.073 0.000 2.436 104 Q HA -0.103 4.238 4.340 0.002 0.000 0.209 104 Q C 0.704 176.544 176.000 -0.268 0.000 0.965 104 Q CA 0.693 56.375 55.803 -0.201 0.000 0.910 104 Q CB 0.013 28.546 28.738 -0.340 0.000 0.980 104 Q HN 0.609 nan 8.270 nan 0.000 0.491 105 H N -0.359 118.790 119.070 0.131 0.000 2.528 105 H HA 0.241 4.798 4.556 0.002 0.000 0.282 105 H C -0.307 175.091 175.328 0.116 0.000 1.097 105 H CA -0.089 56.034 56.048 0.126 0.000 1.121 105 H CB 0.379 30.225 29.762 0.140 0.000 1.590 105 H HN 0.002 nan 8.280 nan 0.000 0.553 106 K N 2.286 122.778 120.400 0.153 0.000 2.219 106 K HA 0.021 4.342 4.320 0.002 0.000 0.280 106 K C -0.589 176.076 176.600 0.108 0.000 1.104 106 K CA -0.391 55.921 56.287 0.042 0.000 0.925 106 K CB 0.213 32.621 32.500 -0.154 0.000 1.261 106 K HN 0.014 nan 8.250 nan 0.000 0.445 107 D N 3.411 123.874 120.400 0.106 0.000 2.349 107 D HA 0.001 4.642 4.640 0.002 0.000 0.266 107 D C 1.078 177.455 176.300 0.127 0.000 1.293 107 D CA 0.509 54.579 54.000 0.116 0.000 0.926 107 D CB 0.821 41.679 40.800 0.097 0.000 1.090 107 D HN 0.667 nan 8.370 nan 0.000 0.502 108 D N 2.900 123.424 120.400 0.207 0.000 2.389 108 D HA -0.071 4.570 4.640 0.002 0.000 0.221 108 D C 0.742 177.102 176.300 0.100 0.000 0.974 108 D CA 1.133 55.286 54.000 0.255 0.000 0.923 108 D CB -0.804 40.075 40.800 0.132 0.000 0.892 108 D HN 0.683 nan 8.370 nan 0.000 0.518 109 N N 0.237 118.963 118.700 0.044 0.000 3.357 109 N HA 0.448 5.189 4.740 0.002 0.000 0.206 109 N C -2.930 172.576 175.510 -0.006 0.000 1.458 109 N CA -0.392 52.652 53.050 -0.010 0.000 0.776 109 N CB 0.891 39.368 38.487 -0.016 0.000 1.626 109 N HN 0.211 nan 8.380 nan 0.000 0.644 110 P HA 0.291 nan 4.420 nan 0.000 0.286 110 P C -0.794 176.499 177.300 -0.011 0.000 1.293 110 P CA -0.146 62.955 63.100 0.002 0.000 0.770 110 P CB 0.966 32.672 31.700 0.009 0.000 1.206 111 N N -0.485 118.213 118.700 -0.002 0.000 3.091 111 N HA 0.329 5.070 4.740 0.002 0.000 0.255 111 N C -0.584 174.920 175.510 -0.010 0.000 1.204 111 N CA -0.286 52.759 53.050 -0.007 0.000 0.990 111 N CB -0.059 38.427 38.487 -0.001 0.000 1.260 111 N HN 0.228 nan 8.380 nan 0.000 0.502 112 L N 0.973 122.183 121.223 -0.021 0.000 2.334 112 L HA 0.644 4.985 4.340 0.002 0.000 0.270 112 L C -1.879 174.977 176.870 -0.023 0.000 1.018 112 L CA -2.062 52.764 54.840 -0.024 0.000 0.811 112 L CB 0.917 42.951 42.059 -0.041 0.000 1.271 112 L HN 0.133 nan 8.230 nan 0.000 0.443 113 P HA 0.133 nan 4.420 nan 0.000 0.269 113 P C -1.251 176.040 177.300 -0.014 0.000 1.215 113 P CA -0.535 62.557 63.100 -0.013 0.000 0.780 113 P CB 0.355 32.049 31.700 -0.010 0.000 0.898 114 R N 1.839 122.335 120.500 -0.006 0.000 2.370 114 R HA 0.280 4.621 4.340 0.002 0.000 0.309 114 R C -0.372 175.933 176.300 0.008 0.000 1.059 114 R CA -0.656 55.444 56.100 0.001 0.000 0.981 114 R CB -0.401 29.903 30.300 0.008 0.000 0.972 114 R HN 0.213 nan 8.270 nan 0.000 0.437 115 L N 4.574 125.804 121.223 0.012 0.000 2.584 115 L HA 0.002 4.343 4.340 0.002 0.000 0.272 115 L C -0.059 176.838 176.870 0.045 0.000 1.195 115 L CA 0.388 55.244 54.840 0.026 0.000 0.920 115 L CB 0.797 42.879 42.059 0.038 0.000 1.173 115 L HN 0.667 nan 8.230 nan 0.000 0.489 116 V N 3.855 123.800 119.914 0.051 0.000 2.539 116 V HA 0.551 4.672 4.120 0.002 0.000 0.292 116 V C 0.221 176.366 176.094 0.086 0.000 1.045 116 V CA -1.010 61.324 62.300 0.057 0.000 0.945 116 V CB 1.403 33.253 31.823 0.044 0.000 0.993 116 V HN 0.828 nan 8.190 nan 0.000 0.464 117 R N 5.559 126.105 120.500 0.076 0.000 2.216 117 R HA 0.461 4.802 4.340 0.002 0.000 0.332 117 R C -2.044 174.312 176.300 0.093 0.000 1.056 117 R CA -1.339 54.814 56.100 0.088 0.000 0.901 117 R CB 0.877 31.218 30.300 0.067 0.000 1.039 117 R HN 0.857 nan 8.270 nan 0.000 0.456 118 P HA 0.085 nan 4.420 nan 0.000 0.277 118 P C -0.820 176.541 177.300 0.102 0.000 1.276 118 P CA -0.352 62.816 63.100 0.114 0.000 0.788 118 P CB 0.612 32.404 31.700 0.153 0.000 1.114 119 E N -0.344 119.908 120.200 0.087 0.000 2.383 119 E HA 0.032 4.383 4.350 0.002 0.000 0.264 119 E C 1.561 178.212 176.600 0.086 0.000 1.050 119 E CA -0.269 56.175 56.400 0.073 0.000 0.896 119 E CB 0.761 30.495 29.700 0.056 0.000 0.982 119 E HN 0.087 nan 8.360 nan 0.000 0.424 120 V N 2.775 122.733 119.914 0.074 0.000 2.278 120 V HA -0.326 3.795 4.120 0.002 0.000 0.251 120 V C 1.554 177.692 176.094 0.073 0.000 1.062 120 V CA 2.181 64.530 62.300 0.080 0.000 1.038 120 V CB -0.402 31.449 31.823 0.047 0.000 0.646 120 V HN 0.565 nan 8.190 nan 0.000 0.447 121 D N 0.140 120.573 120.400 0.054 0.000 2.092 121 D HA -0.151 4.490 4.640 0.002 0.000 0.193 121 D C 2.232 178.557 176.300 0.041 0.000 0.994 121 D CA 1.944 55.970 54.000 0.044 0.000 0.828 121 D CB -0.615 40.209 40.800 0.040 0.000 0.963 121 D HN 0.503 nan 8.370 nan 0.000 0.450 122 V N -0.918 119.028 119.914 0.054 0.000 2.343 122 V HA -0.261 3.860 4.120 0.002 0.000 0.247 122 V C 2.273 178.397 176.094 0.050 0.000 1.051 122 V CA 1.460 63.795 62.300 0.058 0.000 1.036 122 V CB -0.753 31.117 31.823 0.078 0.000 0.654 122 V HN 0.088 nan 8.190 nan 0.000 0.451 123 M N -0.215 119.432 119.600 0.079 0.000 2.065 123 M HA -0.180 4.301 4.480 0.002 0.000 0.259 123 M C 2.512 178.677 176.300 -0.225 0.000 1.069 123 M CA 2.556 57.878 55.300 0.037 0.000 1.110 123 M CB -0.898 31.824 32.600 0.204 0.000 1.328 123 M HN 0.530 nan 8.290 nan 0.000 0.405 124 c N 0.179 118.739 118.600 -0.066 0.000 2.413 124 c HA -0.145 4.425 4.570 0.002 0.000 0.276 124 c C 2.946 176.942 174.090 -0.157 0.000 1.248 124 c CA 1.519 57.791 56.329 -0.096 0.000 1.742 124 c CB -1.067 41.434 42.510 -0.014 0.000 2.017 124 c HN 0.587 nan 8.230 nan 0.000 0.481 125 T N 0.903 115.413 114.554 -0.073 0.000 2.708 125 T HA -0.123 4.228 4.350 0.002 0.000 0.266 125 T C 2.084 176.738 174.700 -0.078 0.000 1.037 125 T CA 1.666 63.750 62.100 -0.028 0.000 1.146 125 T CB -0.427 68.448 68.868 0.011 0.000 0.865 125 T HN 0.640 nan 8.240 nan 0.000 0.435 126 A N 1.061 123.801 122.820 -0.134 0.000 1.933 126 A HA -0.031 4.290 4.320 0.002 0.000 0.218 126 A C 1.993 179.355 177.584 -0.369 0.000 1.175 126 A CA 1.279 53.227 52.037 -0.148 0.000 0.628 126 A CB -0.940 18.058 19.000 -0.003 0.000 0.814 126 A HN 0.466 nan 8.150 nan 0.000 0.444 127 F N 0.524 119.921 119.950 -0.922 0.000 2.095 127 F HA -0.212 4.316 4.527 0.002 0.000 0.298 127 F C 2.213 177.806 175.800 -0.345 0.000 1.104 127 F CA 2.202 59.619 58.000 -0.972 0.000 1.232 127 F CB -0.804 37.588 39.000 -1.014 0.000 0.987 127 F HN 0.461 nan 8.300 nan 0.000 0.475 128 H N -1.005 117.849 119.070 -0.359 0.000 2.333 128 H HA -0.130 4.427 4.556 0.002 0.000 0.302 128 H C 1.780 176.968 175.328 -0.232 0.000 1.075 128 H CA 0.940 56.783 56.048 -0.341 0.000 1.348 128 H CB -0.126 29.546 29.762 -0.150 0.000 1.393 128 H HN 0.156 nan 8.280 nan 0.000 0.509 129 D N 0.057 120.448 120.400 -0.016 0.000 2.228 129 D HA -0.124 4.517 4.640 0.002 0.000 0.203 129 D C 0.446 176.730 176.300 -0.026 0.000 0.988 129 D CA 1.249 55.239 54.000 -0.017 0.000 0.864 129 D CB 0.045 40.845 40.800 0.000 0.000 0.928 129 D HN 0.272 nan 8.370 nan 0.000 0.469 130 N N -0.328 118.345 118.700 -0.046 0.000 3.091 130 N HA -0.072 4.669 4.740 0.002 0.000 0.185 130 N C 0.403 175.923 175.510 0.017 0.000 1.398 130 N CA -0.027 53.022 53.050 -0.002 0.000 0.938 130 N CB 0.225 38.743 38.487 0.051 0.000 1.605 130 N HN -0.042 nan 8.380 nan 0.000 0.597 131 E N 0.798 120.938 120.200 -0.101 0.000 2.113 131 E HA -0.275 4.076 4.350 0.002 0.000 0.210 131 E C 1.020 177.716 176.600 0.160 0.000 1.040 131 E CA 1.692 58.036 56.400 -0.093 0.000 0.847 131 E CB 0.230 29.796 29.700 -0.223 0.000 0.755 131 E HN 0.552 nan 8.360 nan 0.000 0.459 132 E N -0.788 119.485 120.200 0.122 0.000 2.001 132 E HA -0.198 4.153 4.350 0.002 0.000 0.195 132 E C 2.298 179.012 176.600 0.191 0.000 1.002 132 E CA 2.113 58.607 56.400 0.157 0.000 0.819 132 E CB -0.289 29.483 29.700 0.120 0.000 0.769 132 E HN 0.514 nan 8.360 nan 0.000 0.454 133 T N -0.743 113.921 114.554 0.183 0.000 2.849 133 T HA -0.208 4.143 4.350 0.002 0.000 0.270 133 T C 1.795 176.562 174.700 0.111 0.000 1.066 133 T CA 1.272 63.488 62.100 0.193 0.000 1.130 133 T CB -0.550 68.432 68.868 0.189 0.000 0.864 133 T HN 0.195 nan 8.240 nan 0.000 0.481 134 F N 1.804 121.780 119.950 0.043 0.000 2.102 134 F HA 0.166 4.694 4.527 0.002 0.000 0.298 134 F C 1.964 177.831 175.800 0.111 0.000 1.105 134 F CA 1.119 59.152 58.000 0.056 0.000 1.239 134 F CB -0.332 38.713 39.000 0.075 0.000 0.991 134 F HN 0.112 nan 8.300 nan 0.000 0.474 135 L N -0.132 121.174 121.223 0.139 0.000 2.156 135 L HA -0.133 4.208 4.340 0.002 0.000 0.208 135 L C 2.392 179.275 176.870 0.022 0.000 1.095 135 L CA 0.704 55.575 54.840 0.052 0.000 0.770 135 L CB -0.618 41.564 42.059 0.205 0.000 0.914 135 L HN -0.016 nan 8.230 nan 0.000 0.439 136 K N 0.448 120.891 120.400 0.072 0.000 2.062 136 K HA -0.135 4.186 4.320 0.002 0.000 0.205 136 K C 2.003 178.601 176.600 -0.003 0.000 1.051 136 K CA 1.048 57.419 56.287 0.139 0.000 0.941 136 K CB -0.196 32.498 32.500 0.322 0.000 0.719 136 K HN 0.201 nan 8.250 nan 0.000 0.440 137 K N -0.130 120.017 120.400 -0.422 0.000 2.097 137 K HA -0.140 4.181 4.320 0.002 0.000 0.206 137 K C 2.062 178.394 176.600 -0.446 0.000 1.049 137 K CA 1.280 57.006 56.287 -0.935 0.000 0.933 137 K CB -0.074 31.761 32.500 -1.109 0.000 0.717 137 K HN 0.040 nan 8.250 nan 0.000 0.442 138 Y N 0.367 120.448 120.300 -0.365 0.000 2.263 138 Y HA -0.176 4.375 4.550 0.002 0.000 0.292 138 Y C 1.974 177.742 175.900 -0.220 0.000 1.130 138 Y CA 0.714 58.620 58.100 -0.324 0.000 1.179 138 Y CB -0.163 38.013 38.460 -0.473 0.000 0.998 138 Y HN 0.066 nan 8.280 nan 0.000 0.532 139 L N -0.667 120.553 121.223 -0.005 0.000 2.083 139 L HA -0.243 4.098 4.340 0.002 0.000 0.209 139 L C 2.248 179.125 176.870 0.012 0.000 1.083 139 L CA 1.773 56.604 54.840 -0.015 0.000 0.752 139 L CB -1.177 40.899 42.059 0.029 0.000 0.899 139 L HN 0.382 nan 8.230 nan 0.000 0.433 140 Y N 0.217 120.490 120.300 -0.046 0.000 2.145 140 Y HA -0.191 4.360 4.550 0.002 0.000 0.286 140 Y C 2.333 178.212 175.900 -0.034 0.000 1.145 140 Y CA 1.972 60.078 58.100 0.011 0.000 1.148 140 Y CB -0.240 38.312 38.460 0.153 0.000 0.981 140 Y HN 0.246 nan 8.280 nan 0.000 0.507 141 E N 0.426 120.446 120.200 -0.300 0.000 2.077 141 E HA -0.173 4.178 4.350 0.002 0.000 0.193 141 E C 2.278 178.743 176.600 -0.224 0.000 0.989 141 E CA 1.298 57.481 56.400 -0.362 0.000 0.800 141 E CB -0.250 29.315 29.700 -0.226 0.000 0.746 141 E HN 0.509 nan 8.360 nan 0.000 0.452 142 I N 0.884 121.369 120.570 -0.143 0.000 2.286 142 I HA -0.140 4.031 4.170 0.002 0.000 0.245 142 I C 2.360 178.442 176.117 -0.059 0.000 1.104 142 I CA 0.922 62.169 61.300 -0.088 0.000 1.397 142 I CB -1.399 36.490 38.000 -0.185 0.000 1.072 142 I HN -0.063 nan 8.210 nan 0.000 0.417 143 A N 1.673 124.416 122.820 -0.129 0.000 1.969 143 A HA -0.179 4.142 4.320 0.002 0.000 0.218 143 A C 2.366 179.883 177.584 -0.113 0.000 1.169 143 A CA 1.237 53.209 52.037 -0.110 0.000 0.635 143 A CB -0.537 18.395 19.000 -0.114 0.000 0.810 143 A HN 0.531 nan 8.150 nan 0.000 0.445 144 R N -0.709 119.677 120.500 -0.191 0.000 2.189 144 R HA 0.042 4.383 4.340 0.002 0.000 0.218 144 R C 1.727 177.946 176.300 -0.135 0.000 1.074 144 R CA 1.111 57.106 56.100 -0.175 0.000 0.991 144 R CB -0.295 29.837 30.300 -0.280 0.000 0.883 144 R HN 0.406 nan 8.270 nan 0.000 0.457 145 R N -0.070 120.349 120.500 -0.134 0.000 2.246 145 R HA 0.066 4.407 4.340 0.002 0.000 0.199 145 R C -0.093 175.976 176.300 -0.385 0.000 0.984 145 R CA 0.609 56.585 56.100 -0.206 0.000 1.015 145 R CB 0.214 30.407 30.300 -0.180 0.000 0.930 145 R HN 0.371 nan 8.270 nan 0.000 0.475 146 H N 0.014 119.058 119.070 -0.042 0.000 2.348 146 H HA 0.152 4.709 4.556 0.001 0.000 0.232 146 H C -1.882 173.461 175.328 0.025 0.000 1.419 146 H CA -1.758 54.316 56.048 0.043 0.000 1.416 146 H CB 1.123 30.932 29.762 0.079 0.000 1.510 146 H HN -0.019 nan 8.280 nan 0.000 0.507 147 P HA -0.182 nan 4.420 nan 0.000 0.225 147 P C 0.269 177.352 177.300 -0.362 0.000 1.148 147 P CA 1.262 64.237 63.100 -0.208 0.000 0.779 147 P CB 0.305 31.824 31.700 -0.300 0.000 0.780 148 Y N -2.383 117.947 120.300 0.049 0.000 2.467 148 Y HA 0.280 4.831 4.550 0.002 0.000 0.250 148 Y C 1.044 177.009 175.900 0.108 0.000 1.155 148 Y CA -0.731 57.392 58.100 0.039 0.000 1.249 148 Y CB -0.263 38.203 38.460 0.011 0.000 1.146 148 Y HN -0.206 nan 8.280 nan 0.000 0.524 149 F N 1.132 121.153 119.950 0.118 0.000 2.541 149 F HA 0.025 4.553 4.527 0.002 0.000 0.378 149 F C 0.384 176.234 175.800 0.083 0.000 1.068 149 F CA -0.937 57.127 58.000 0.108 0.000 1.199 149 F CB 0.147 39.181 39.000 0.056 0.000 1.091 149 F HN 0.033 nan 8.300 nan 0.000 0.555 150 Y N 6.841 127.183 120.300 0.070 0.000 2.815 150 Y HA 0.067 4.618 4.550 0.002 0.000 0.346 150 Y C 1.088 177.061 175.900 0.122 0.000 1.267 150 Y CA -0.071 58.062 58.100 0.055 0.000 1.604 150 Y CB 0.267 38.716 38.460 -0.019 0.000 1.218 150 Y HN 0.784 nan 8.280 nan 0.000 0.527 151 A N 7.533 130.139 122.820 -0.357 0.000 1.896 151 A HA -0.227 4.094 4.320 0.002 0.000 0.220 151 A C -0.273 176.993 177.584 -0.530 0.000 1.206 151 A CA 2.099 53.905 52.037 -0.385 0.000 0.647 151 A CB -1.867 16.894 19.000 -0.399 0.000 0.828 151 A HN 0.721 nan 8.150 nan 0.000 0.455 152 P HA -0.153 nan 4.420 nan 0.000 0.218 152 P C 1.388 177.936 177.300 -1.253 0.000 1.148 152 P CA 1.514 64.067 63.100 -0.910 0.000 0.822 152 P CB -0.010 31.258 31.700 -0.719 0.000 0.784 153 E N -1.023 118.851 120.200 -0.544 0.000 2.158 153 E HA -0.110 4.241 4.350 0.002 0.000 0.191 153 E C 1.724 178.411 176.600 0.145 0.000 0.982 153 E CA 0.413 56.731 56.400 -0.137 0.000 0.823 153 E CB -0.342 29.632 29.700 0.457 0.000 0.766 153 E HN 0.053 nan 8.360 nan 0.000 0.468 154 L N 0.943 122.215 121.223 0.082 0.000 2.141 154 L HA -0.139 4.202 4.340 0.002 0.000 0.209 154 L C 2.170 179.008 176.870 -0.054 0.000 1.094 154 L CA 1.062 55.854 54.840 -0.080 0.000 0.763 154 L CB -0.478 41.448 42.059 -0.221 0.000 0.908 154 L HN 0.200 nan 8.230 nan 0.000 0.437 155 L N -1.302 119.797 121.223 -0.208 0.000 2.056 155 L HA -0.140 4.201 4.340 0.002 0.000 0.207 155 L C 2.281 179.168 176.870 0.028 0.000 1.078 155 L CA 1.724 56.475 54.840 -0.148 0.000 0.749 155 L CB -0.733 41.158 42.059 -0.280 0.000 0.901 155 L HN 0.244 nan 8.230 nan 0.000 0.433 156 F N -1.921 118.011 119.950 -0.030 0.000 2.216 156 F HA -0.261 4.266 4.527 0.001 0.000 0.300 156 F C 2.072 177.795 175.800 -0.128 0.000 1.085 156 F CA 0.500 58.414 58.000 -0.144 0.000 1.326 156 F CB -0.407 38.366 39.000 -0.379 0.000 1.027 156 F HN 0.082 nan 8.300 nan 0.000 0.497 157 F N 0.468 120.525 119.950 0.178 0.000 2.128 157 F HA -0.117 4.411 4.527 0.001 0.000 0.295 157 F C 2.563 178.518 175.800 0.259 0.000 1.100 157 F CA 1.020 59.128 58.000 0.181 0.000 1.260 157 F CB -1.058 38.026 39.000 0.140 0.000 1.009 157 F HN -0.123 nan 8.300 nan 0.000 0.476 158 A N 0.227 123.268 122.820 0.369 0.000 1.892 158 A HA -0.266 4.055 4.320 0.002 0.000 0.218 158 A C 2.224 179.985 177.584 0.296 0.000 1.188 158 A CA 2.057 54.269 52.037 0.292 0.000 0.631 158 A CB -0.721 18.367 19.000 0.148 0.000 0.822 158 A HN 0.370 nan 8.150 nan 0.000 0.447 159 K N -0.769 119.767 120.400 0.227 0.000 2.097 159 K HA -0.138 4.183 4.320 0.002 0.000 0.206 159 K C 2.237 178.935 176.600 0.164 0.000 1.049 159 K CA 1.500 57.899 56.287 0.187 0.000 0.933 159 K CB -0.195 32.395 32.500 0.150 0.000 0.717 159 K HN 0.432 nan 8.250 nan 0.000 0.442 160 R N -0.377 120.203 120.500 0.135 0.000 2.115 160 R HA -0.100 4.241 4.340 0.002 0.000 0.230 160 R C 2.050 178.371 176.300 0.035 0.000 1.111 160 R CA 1.210 57.334 56.100 0.040 0.000 0.976 160 R CB -0.249 30.028 30.300 -0.038 0.000 0.870 160 R HN 0.216 nan 8.270 nan 0.000 0.445 161 Y N 1.160 121.527 120.300 0.111 0.000 2.242 161 Y HA -0.204 4.347 4.550 0.002 0.000 0.291 161 Y C 2.473 178.490 175.900 0.196 0.000 1.137 161 Y CA 1.486 59.659 58.100 0.121 0.000 1.181 161 Y CB -0.070 38.494 38.460 0.173 0.000 0.989 161 Y HN -0.036 nan 8.280 nan 0.000 0.527 162 K N 0.142 120.766 120.400 0.373 0.000 2.026 162 K HA -0.180 4.141 4.320 0.002 0.000 0.208 162 K C 2.288 179.023 176.600 0.226 0.000 1.048 162 K CA 1.232 57.725 56.287 0.343 0.000 0.929 162 K CB -0.337 32.358 32.500 0.325 0.000 0.713 162 K HN 0.221 nan 8.250 nan 0.000 0.439 163 A N 1.090 123.999 122.820 0.148 0.000 1.940 163 A HA -0.151 4.170 4.320 0.002 0.000 0.219 163 A C 2.328 179.916 177.584 0.007 0.000 1.176 163 A CA 2.020 54.107 52.037 0.083 0.000 0.631 163 A CB -0.848 18.179 19.000 0.045 0.000 0.814 163 A HN 0.528 nan 8.150 nan 0.000 0.446 164 A N -1.511 121.261 122.820 -0.080 0.000 1.930 164 A HA 0.074 4.395 4.320 0.002 0.000 0.217 164 A C 1.913 179.279 177.584 -0.363 0.000 1.175 164 A CA 1.401 53.293 52.037 -0.242 0.000 0.627 164 A CB -0.624 18.154 19.000 -0.371 0.000 0.815 164 A HN 0.454 nan 8.150 nan 0.000 0.443 165 F N 0.383 120.171 119.950 -0.270 0.000 2.163 165 F HA -0.070 4.458 4.527 0.002 0.000 0.297 165 F C 2.744 178.366 175.800 -0.296 0.000 1.094 165 F CA 1.741 59.397 58.000 -0.573 0.000 1.290 165 F CB -0.917 37.188 39.000 -1.492 0.000 1.017 165 F HN 0.115 nan 8.300 nan 0.000 0.483 166 T N -0.628 114.002 114.554 0.126 0.000 2.652 166 T HA -0.272 4.079 4.350 0.002 0.000 0.267 166 T C 1.908 176.708 174.700 0.167 0.000 1.039 166 T CA 1.791 64.081 62.100 0.315 0.000 1.153 166 T CB -0.374 68.663 68.868 0.281 0.000 0.863 166 T HN 0.329 nan 8.240 nan 0.000 0.428 167 E N -0.562 119.677 120.200 0.065 0.000 2.204 167 E HA -0.105 4.246 4.350 0.002 0.000 0.194 167 E C 1.782 178.383 176.600 0.002 0.000 0.989 167 E CA 0.906 57.322 56.400 0.027 0.000 0.824 167 E CB -0.034 29.661 29.700 -0.009 0.000 0.756 167 E HN 0.470 nan 8.360 nan 0.000 0.477 168 c N -0.686 117.886 118.600 -0.045 0.000 2.700 168 c HA 0.167 4.738 4.570 0.002 0.000 0.297 168 c C 2.367 176.451 174.090 -0.010 0.000 1.293 168 c CA -0.428 55.866 56.329 -0.059 0.000 1.756 168 c CB -0.429 41.990 42.510 -0.152 0.000 2.210 168 c HN 0.585 nan 8.230 nan 0.000 0.553 169 c N 0.725 119.342 118.600 0.028 0.000 2.522 169 c HA 0.053 4.624 4.570 0.002 0.000 0.271 169 c C 2.928 177.099 174.090 0.135 0.000 1.425 169 c CA 1.576 57.942 56.329 0.063 0.000 1.751 169 c CB -1.738 40.790 42.510 0.031 0.000 1.775 169 c HN 0.796 nan 8.230 nan 0.000 0.557 170 Q N 0.010 119.895 119.800 0.140 0.000 2.391 170 Q HA 0.566 4.907 4.340 0.002 0.000 0.211 170 Q C 1.186 177.237 176.000 0.084 0.000 0.908 170 Q CA 0.832 56.722 55.803 0.145 0.000 0.920 170 Q CB -0.360 28.464 28.738 0.142 0.000 1.056 170 Q HN 0.686 nan 8.270 nan 0.000 0.523 171 A N 0.530 123.383 122.820 0.056 0.000 2.466 171 A HA 0.595 4.916 4.320 0.002 0.000 0.238 171 A C 1.788 179.391 177.584 0.032 0.000 1.074 171 A CA 0.394 52.451 52.037 0.032 0.000 0.774 171 A CB -0.048 18.959 19.000 0.011 0.000 1.015 171 A HN 1.096 nan 8.150 nan 0.000 0.498 172 A N 0.896 123.731 122.820 0.024 0.000 1.851 172 A HA -0.082 4.239 4.320 0.002 0.000 0.216 172 A C 1.212 178.806 177.584 0.018 0.000 1.195 172 A CA 1.834 53.884 52.037 0.022 0.000 0.622 172 A CB -0.324 18.686 19.000 0.016 0.000 0.831 172 A HN 0.776 nan 8.150 nan 0.000 0.444 173 D N -0.393 120.014 120.400 0.011 0.000 2.564 173 D HA 0.245 4.886 4.640 0.002 0.000 0.226 173 D C 0.785 177.086 176.300 0.002 0.000 1.149 173 D CA -0.086 53.918 54.000 0.007 0.000 0.994 173 D CB 0.312 41.114 40.800 0.002 0.000 1.029 173 D HN 0.333 nan 8.370 nan 0.000 0.517 174 K N 1.073 121.478 120.400 0.008 0.000 2.034 174 K HA -0.232 4.089 4.320 0.002 0.000 0.214 174 K C 1.896 178.487 176.600 -0.016 0.000 1.051 174 K CA 1.696 57.984 56.287 0.001 0.000 0.931 174 K CB 0.012 32.521 32.500 0.016 0.000 0.715 174 K HN 0.311 nan 8.250 nan 0.000 0.446 175 A N 1.499 124.316 122.820 -0.006 0.000 1.883 175 A HA -0.145 4.176 4.320 0.002 0.000 0.217 175 A C 2.408 179.979 177.584 -0.021 0.000 1.186 175 A CA 1.998 54.028 52.037 -0.011 0.000 0.624 175 A CB -0.863 18.138 19.000 0.001 0.000 0.822 175 A HN 0.381 nan 8.150 nan 0.000 0.444 176 A N -1.487 121.323 122.820 -0.015 0.000 2.076 176 A HA -0.166 4.155 4.320 0.002 0.000 0.220 176 A C 2.309 179.875 177.584 -0.029 0.000 1.160 176 A CA 1.767 53.794 52.037 -0.018 0.000 0.653 176 A CB -1.150 17.843 19.000 -0.011 0.000 0.801 176 A HN 0.762 nan 8.150 nan 0.000 0.455 177 c N -1.710 116.868 118.600 -0.038 0.000 2.668 177 c HA 0.188 4.759 4.570 0.002 0.000 0.283 177 c C 2.356 176.392 174.090 -0.091 0.000 1.317 177 c CA 0.948 57.244 56.329 -0.055 0.000 1.696 177 c CB -1.151 41.329 42.510 -0.050 0.000 2.138 177 c HN 0.555 nan 8.230 nan 0.000 0.520 178 L N 0.976 122.129 121.223 -0.117 0.000 1.976 178 L HA -0.011 4.330 4.340 0.002 0.000 0.209 178 L C 2.309 179.091 176.870 -0.147 0.000 1.071 178 L CA 1.876 56.602 54.840 -0.190 0.000 0.746 178 L CB -1.173 40.750 42.059 -0.227 0.000 0.890 178 L HN 0.309 nan 8.230 nan 0.000 0.432 179 L N 0.412 121.584 121.223 -0.086 0.000 2.030 179 L HA -0.241 4.100 4.340 0.002 0.000 0.222 179 L C -0.406 176.433 176.870 -0.051 0.000 1.082 179 L CA 2.893 57.702 54.840 -0.052 0.000 0.785 179 L CB -2.208 39.837 42.059 -0.024 0.000 0.895 179 L HN 0.314 nan 8.230 nan 0.000 0.439 180 P HA -0.174 nan 4.420 nan 0.000 0.219 180 P C 1.399 178.661 177.300 -0.063 0.000 1.150 180 P CA 1.479 64.554 63.100 -0.043 0.000 0.814 180 P CB -0.020 31.660 31.700 -0.034 0.000 0.787 181 K N -0.332 120.007 120.400 -0.101 0.000 2.097 181 K HA -0.011 4.310 4.320 0.002 0.000 0.205 181 K C 2.346 178.845 176.600 -0.169 0.000 1.050 181 K CA 0.908 57.111 56.287 -0.140 0.000 0.938 181 K CB -0.451 31.936 32.500 -0.189 0.000 0.718 181 K HN 0.177 nan 8.250 nan 0.000 0.442 182 L N 0.830 121.966 121.223 -0.145 0.000 2.072 182 L HA -0.187 4.154 4.340 0.002 0.000 0.205 182 L C 1.739 178.594 176.870 -0.025 0.000 1.079 182 L CA 1.163 55.954 54.840 -0.083 0.000 0.752 182 L CB -0.385 41.666 42.059 -0.015 0.000 0.906 182 L HN 0.130 nan 8.230 nan 0.000 0.436 183 D N -0.166 120.222 120.400 -0.020 0.000 2.123 183 D HA -0.236 4.405 4.640 0.002 0.000 0.196 183 D C 2.059 178.360 176.300 0.003 0.000 0.992 183 D CA 1.179 55.181 54.000 0.004 0.000 0.833 183 D CB 0.061 40.863 40.800 0.003 0.000 0.954 183 D HN 0.322 nan 8.370 nan 0.000 0.455 184 E N -0.330 119.859 120.200 -0.018 0.000 2.072 184 E HA -0.148 4.203 4.350 0.002 0.000 0.191 184 E C 1.890 178.494 176.600 0.008 0.000 0.985 184 E CA 0.436 56.834 56.400 -0.002 0.000 0.801 184 E CB -0.008 29.683 29.700 -0.015 0.000 0.750 184 E HN 0.062 nan 8.360 nan 0.000 0.452 185 L N 1.469 122.655 121.223 -0.063 0.000 2.079 185 L HA -0.151 4.189 4.340 0.002 0.000 0.210 185 L C 2.540 179.430 176.870 0.033 0.000 1.081 185 L CA 1.594 56.385 54.840 -0.082 0.000 0.752 185 L CB -0.754 40.988 42.059 -0.528 0.000 0.896 185 L HN 0.125 nan 8.230 nan 0.000 0.433 186 R N -0.470 120.062 120.500 0.052 0.000 2.070 186 R HA -0.166 4.175 4.340 0.002 0.000 0.233 186 R C 1.897 178.217 176.300 0.033 0.000 1.137 186 R CA 1.794 57.930 56.100 0.060 0.000 0.945 186 R CB -0.213 30.126 30.300 0.065 0.000 0.845 186 R HN 0.330 nan 8.270 nan 0.000 0.430 187 D N 0.335 120.766 120.400 0.051 0.000 2.123 187 D HA -0.192 4.449 4.640 0.002 0.000 0.196 187 D C 1.721 178.083 176.300 0.104 0.000 0.992 187 D CA 1.281 55.321 54.000 0.066 0.000 0.833 187 D CB -0.204 40.631 40.800 0.059 0.000 0.954 187 D HN 0.413 nan 8.370 nan 0.000 0.455 188 E N -0.074 120.211 120.200 0.142 0.000 2.110 188 E HA -0.111 4.240 4.350 0.002 0.000 0.193 188 E C 2.123 178.839 176.600 0.194 0.000 0.988 188 E CA 1.102 57.648 56.400 0.244 0.000 0.804 188 E CB -0.156 29.756 29.700 0.352 0.000 0.745 188 E HN 0.285 nan 8.360 nan 0.000 0.458 189 G N 0.811 109.570 108.800 -0.068 0.000 2.394 189 G HA2 -0.229 3.732 3.960 0.002 0.000 0.215 189 G HA3 -0.229 3.732 3.960 0.002 0.000 0.215 189 G C 1.437 176.278 174.900 -0.098 0.000 1.165 189 G CA 0.459 45.300 45.100 -0.432 0.000 0.784 189 G HN 0.111 nan 8.290 nan 0.000 0.535 190 K N 0.569 120.953 120.400 -0.026 0.000 2.097 190 K HA 0.066 4.387 4.320 0.002 0.000 0.205 190 K C 2.928 179.581 176.600 0.089 0.000 1.050 190 K CA 0.879 57.191 56.287 0.041 0.000 0.938 190 K CB -0.160 32.370 32.500 0.050 0.000 0.718 190 K HN 0.267 nan 8.250 nan 0.000 0.442 191 A N 1.056 123.943 122.820 0.113 0.000 1.858 191 A HA -0.185 4.136 4.320 0.002 0.000 0.216 191 A C 2.271 179.930 177.584 0.125 0.000 1.190 191 A CA 2.034 54.155 52.037 0.140 0.000 0.617 191 A CB -0.788 18.331 19.000 0.199 0.000 0.827 191 A HN 0.267 nan 8.150 nan 0.000 0.443 192 S N -0.730 115.070 115.700 0.166 0.000 2.370 192 S HA -0.175 4.296 4.470 0.002 0.000 0.226 192 S C 2.358 176.951 174.600 -0.012 0.000 1.033 192 S CA 2.035 60.322 58.200 0.146 0.000 1.011 192 S CB -0.480 62.931 63.200 0.353 0.000 0.852 192 S HN 0.623 nan 8.310 nan 0.000 0.457 193 S N 0.604 116.345 115.700 0.068 0.000 2.353 193 S HA -0.056 4.415 4.470 0.002 0.000 0.222 193 S C 2.122 176.745 174.600 0.039 0.000 1.035 193 S CA 1.521 59.756 58.200 0.059 0.000 1.025 193 S CB -0.823 62.528 63.200 0.253 0.000 0.902 193 S HN 0.698 nan 8.310 nan 0.000 0.440 194 A N 1.314 124.173 122.820 0.064 0.000 1.908 194 A HA -0.128 4.192 4.320 0.002 0.000 0.218 194 A C 2.101 179.692 177.584 0.011 0.000 1.181 194 A CA 1.738 53.802 52.037 0.044 0.000 0.627 194 A CB -0.557 18.475 19.000 0.054 0.000 0.818 194 A HN 0.644 nan 8.150 nan 0.000 0.445 195 K N -0.933 119.472 120.400 0.008 0.000 2.026 195 K HA -0.204 4.117 4.320 0.002 0.000 0.208 195 K C 2.364 178.946 176.600 -0.030 0.000 1.048 195 K CA 1.586 57.867 56.287 -0.011 0.000 0.929 195 K CB -0.204 32.299 32.500 0.005 0.000 0.713 195 K HN 0.569 nan 8.250 nan 0.000 0.439 196 Q N 1.163 120.933 119.800 -0.050 0.000 2.062 196 Q HA -0.192 4.148 4.340 0.002 0.000 0.209 196 Q C 2.047 178.021 176.000 -0.044 0.000 0.996 196 Q CA 1.899 57.662 55.803 -0.066 0.000 0.859 196 Q CB 0.069 28.711 28.738 -0.159 0.000 0.920 196 Q HN 0.205 nan 8.270 nan 0.000 0.415 197 R N -0.512 119.964 120.500 -0.038 0.000 2.092 197 R HA -0.120 4.221 4.340 0.002 0.000 0.231 197 R C 2.323 178.584 176.300 -0.065 0.000 1.119 197 R CA 1.094 57.162 56.100 -0.053 0.000 0.970 197 R CB -0.437 29.845 30.300 -0.031 0.000 0.864 197 R HN 0.265 nan 8.270 nan 0.000 0.440 198 L N 1.807 122.999 121.223 -0.052 0.000 1.989 198 L HA -0.200 4.141 4.340 0.002 0.000 0.211 198 L C 1.792 178.608 176.870 -0.091 0.000 1.071 198 L CA 1.906 56.708 54.840 -0.063 0.000 0.749 198 L CB -0.295 41.733 42.059 -0.051 0.000 0.890 198 L HN -0.036 nan 8.230 nan 0.000 0.431 199 K N -1.248 119.095 120.400 -0.096 0.000 2.103 199 K HA -0.184 4.137 4.320 0.002 0.000 0.207 199 K C 2.088 178.629 176.600 -0.098 0.000 1.048 199 K CA 1.689 57.901 56.287 -0.126 0.000 0.930 199 K CB -0.532 31.919 32.500 -0.082 0.000 0.716 199 K HN 0.469 nan 8.250 nan 0.000 0.444 200 c N 0.342 118.898 118.600 -0.073 0.000 2.457 200 c HA 0.002 4.573 4.570 0.002 0.000 0.278 200 c C 2.884 176.902 174.090 -0.121 0.000 1.309 200 c CA 0.600 56.874 56.329 -0.091 0.000 1.735 200 c CB -0.787 41.670 42.510 -0.088 0.000 1.992 200 c HN 0.528 nan 8.230 nan 0.000 0.493 201 A N 0.619 123.365 122.820 -0.124 0.000 1.898 201 A HA -0.131 4.190 4.320 0.002 0.000 0.216 201 A C 2.262 179.735 177.584 -0.185 0.000 1.181 201 A CA 2.207 54.156 52.037 -0.147 0.000 0.620 201 A CB -0.740 18.180 19.000 -0.133 0.000 0.819 201 A HN 0.539 nan 8.150 nan 0.000 0.442 202 S N -0.342 115.268 115.700 -0.151 0.000 2.356 202 S HA -0.157 4.314 4.470 0.002 0.000 0.223 202 S C 1.858 176.416 174.600 -0.069 0.000 1.032 202 S CA 1.450 59.579 58.200 -0.117 0.000 1.005 202 S CB -0.490 62.708 63.200 -0.003 0.000 0.867 202 S HN 0.489 nan 8.310 nan 0.000 0.449 203 L N 2.150 123.327 121.223 -0.076 0.000 2.081 203 L HA -0.176 4.165 4.340 0.002 0.000 0.212 203 L C 2.666 179.481 176.870 -0.090 0.000 1.080 203 L CA 2.463 57.247 54.840 -0.094 0.000 0.754 203 L CB -1.421 40.496 42.059 -0.237 0.000 0.893 203 L HN 0.434 nan 8.230 nan 0.000 0.433 204 Q N -0.166 119.557 119.800 -0.128 0.000 1.965 204 Q HA -0.220 4.121 4.340 0.002 0.000 0.200 204 Q C 2.297 178.209 176.000 -0.146 0.000 0.981 204 Q CA 2.114 57.840 55.803 -0.128 0.000 0.834 204 Q CB -0.831 27.825 28.738 -0.138 0.000 0.900 204 Q HN 0.647 nan 8.270 nan 0.000 0.426 205 K N -0.296 119.945 120.400 -0.265 0.000 1.969 205 K HA -0.053 4.268 4.320 0.002 0.000 0.223 205 K C 1.972 178.446 176.600 -0.209 0.000 1.048 205 K CA 1.773 57.837 56.287 -0.373 0.000 0.983 205 K CB -0.567 31.426 32.500 -0.846 0.000 0.738 205 K HN 0.510 nan 8.250 nan 0.000 0.446 206 F N 1.156 121.104 119.950 -0.003 0.000 2.307 206 F HA -0.094 4.436 4.527 0.004 0.000 0.301 206 F C 1.451 177.268 175.800 0.029 0.000 1.076 206 F CA 0.333 58.342 58.000 0.015 0.000 1.383 206 F CB -0.381 38.632 39.000 0.020 0.000 1.055 206 F HN 0.387 nan 8.300 nan 0.000 0.526 207 G N 0.534 109.431 108.800 0.161 0.000 2.746 207 G HA2 -0.282 3.679 3.960 0.002 0.000 0.685 207 G HA3 -0.282 3.679 3.960 0.002 0.000 0.685 207 G C 0.224 175.212 174.900 0.147 0.000 1.350 207 G CA -0.038 45.131 45.100 0.116 0.000 0.837 207 G HN 0.299 nan 8.290 nan 0.000 0.564 208 E N -0.196 120.070 120.200 0.110 0.000 2.085 208 E HA -0.199 4.152 4.350 0.002 0.000 0.194 208 E C 2.484 179.204 176.600 0.199 0.000 0.994 208 E CA 1.554 58.042 56.400 0.146 0.000 0.801 208 E CB -0.051 29.704 29.700 0.092 0.000 0.743 208 E HN 0.552 nan 8.360 nan 0.000 0.453 209 R N 0.114 120.705 120.500 0.152 0.000 2.097 209 R HA -0.209 4.132 4.340 0.002 0.000 0.236 209 R C 2.263 178.656 176.300 0.155 0.000 1.135 209 R CA 1.798 57.982 56.100 0.141 0.000 0.934 209 R CB -0.455 29.911 30.300 0.111 0.000 0.846 209 R HN 0.219 nan 8.270 nan 0.000 0.431 210 A N 0.002 122.918 122.820 0.160 0.000 1.940 210 A HA -0.200 4.121 4.320 0.002 0.000 0.219 210 A C 2.052 179.752 177.584 0.195 0.000 1.176 210 A CA 1.457 53.581 52.037 0.144 0.000 0.631 210 A CB -0.812 18.267 19.000 0.132 0.000 0.814 210 A HN 0.571 nan 8.150 nan 0.000 0.446 211 F N 0.649 120.665 119.950 0.110 0.000 2.113 211 F HA -0.105 4.423 4.527 0.002 0.000 0.297 211 F C 2.154 178.057 175.800 0.172 0.000 1.103 211 F CA 2.046 60.112 58.000 0.111 0.000 1.248 211 F CB -0.181 38.838 39.000 0.031 0.000 0.999 211 F HN 0.113 nan 8.300 nan 0.000 0.475 212 K N 0.218 120.731 120.400 0.189 0.000 2.063 212 K HA -0.179 4.142 4.320 0.002 0.000 0.208 212 K C 2.305 178.916 176.600 0.019 0.000 1.048 212 K CA 1.327 57.673 56.287 0.100 0.000 0.928 212 K CB -0.603 31.990 32.500 0.154 0.000 0.713 212 K HN 0.365 nan 8.250 nan 0.000 0.442 213 A N 0.822 123.676 122.820 0.056 0.000 1.877 213 A HA -0.202 4.119 4.320 0.002 0.000 0.216 213 A C 1.950 179.512 177.584 -0.037 0.000 1.186 213 A CA 1.383 53.439 52.037 0.031 0.000 0.620 213 A CB -1.020 18.012 19.000 0.053 0.000 0.822 213 A HN 0.598 nan 8.150 nan 0.000 0.443 214 W N 0.708 121.891 121.300 -0.195 0.000 2.321 214 W HA -0.206 4.454 4.660 -0.001 0.000 0.306 214 W C 2.442 178.783 176.519 -0.297 0.000 1.217 214 W CA 2.550 59.746 57.345 -0.247 0.000 1.257 214 W CB -0.172 29.108 29.460 -0.300 0.000 1.145 214 W HN 0.370 nan 8.180 nan 0.000 0.509 215 A N -0.469 122.209 122.820 -0.237 0.000 1.898 215 A HA -0.163 4.158 4.320 0.002 0.000 0.216 215 A C 2.028 179.462 177.584 -0.251 0.000 1.181 215 A CA 2.168 54.026 52.037 -0.299 0.000 0.620 215 A CB -1.248 17.600 19.000 -0.254 0.000 0.819 215 A HN 0.174 nan 8.150 nan 0.000 0.442 216 V N -0.028 119.800 119.914 -0.144 0.000 2.255 216 V HA -0.304 3.817 4.120 0.002 0.000 0.247 216 V C 3.089 179.113 176.094 -0.116 0.000 1.051 216 V CA 2.153 64.421 62.300 -0.053 0.000 1.018 216 V CB -1.282 30.570 31.823 0.048 0.000 0.641 216 V HN 0.634 nan 8.190 nan 0.000 0.445 217 A N 0.039 122.726 122.820 -0.222 0.000 1.865 217 A HA -0.297 4.024 4.320 0.002 0.000 0.217 217 A C 2.295 179.660 177.584 -0.365 0.000 1.191 217 A CA 2.405 54.274 52.037 -0.279 0.000 0.623 217 A CB -0.602 18.192 19.000 -0.344 0.000 0.826 217 A HN 0.475 nan 8.150 nan 0.000 0.444 218 R N -0.138 120.018 120.500 -0.573 0.000 2.080 218 R HA -0.043 4.298 4.340 0.002 0.000 0.236 218 R C 1.996 178.047 176.300 -0.415 0.000 1.137 218 R CA 1.818 57.553 56.100 -0.608 0.000 0.943 218 R CB -0.794 28.931 30.300 -0.960 0.000 0.846 218 R HN 0.516 nan 8.270 nan 0.000 0.431 219 L N -0.187 120.846 121.223 -0.317 0.000 2.083 219 L HA -0.153 4.188 4.340 0.002 0.000 0.209 219 L C 2.238 178.990 176.870 -0.196 0.000 1.083 219 L CA 1.556 56.246 54.840 -0.249 0.000 0.752 219 L CB -0.312 41.729 42.059 -0.031 0.000 0.899 219 L HN 0.254 nan 8.230 nan 0.000 0.433 220 S N -0.791 114.851 115.700 -0.095 0.000 2.402 220 S HA -0.181 4.290 4.470 0.002 0.000 0.229 220 S C 1.873 176.392 174.600 -0.135 0.000 1.021 220 S CA 0.982 59.169 58.200 -0.020 0.000 0.974 220 S CB -0.113 63.097 63.200 0.016 0.000 0.800 220 S HN 0.470 nan 8.310 nan 0.000 0.484 221 Q N 0.580 120.253 119.800 -0.211 0.000 2.119 221 Q HA 0.012 4.353 4.340 0.002 0.000 0.201 221 Q C 2.372 178.232 176.000 -0.234 0.000 0.972 221 Q CA 0.930 56.605 55.803 -0.214 0.000 0.847 221 Q CB -0.109 28.496 28.738 -0.223 0.000 0.903 221 Q HN 0.410 nan 8.270 nan 0.000 0.433 222 R N -0.404 119.871 120.500 -0.374 0.000 2.093 222 R HA -0.009 4.332 4.340 0.002 0.000 0.224 222 R C 0.076 176.170 176.300 -0.343 0.000 1.101 222 R CA 0.653 56.447 56.100 -0.510 0.000 0.979 222 R CB 0.384 30.127 30.300 -0.928 0.000 0.877 222 R HN 0.094 nan 8.270 nan 0.000 0.441 223 F N 0.924 120.860 119.950 -0.024 0.000 2.532 223 F HA 0.316 4.844 4.527 0.003 0.000 0.313 223 F C -1.675 174.134 175.800 0.016 0.000 1.301 223 F CA -3.248 54.754 58.000 0.002 0.000 1.154 223 F CB 1.051 40.066 39.000 0.026 0.000 1.335 223 F HN -0.089 nan 8.300 nan 0.000 0.542 224 P HA -0.163 nan 4.420 nan 0.000 0.222 224 P C 0.871 178.203 177.300 0.055 0.000 1.147 224 P CA 1.314 64.424 63.100 0.015 0.000 0.790 224 P CB 0.357 32.016 31.700 -0.068 0.000 0.780 225 K N -0.576 119.881 120.400 0.094 0.000 2.426 225 K HA 0.231 4.551 4.320 0.002 0.000 0.193 225 K C 1.161 177.835 176.600 0.124 0.000 1.028 225 K CA -0.139 56.198 56.287 0.082 0.000 1.047 225 K CB 0.122 32.651 32.500 0.049 0.000 0.821 225 K HN 0.087 nan 8.250 nan 0.000 0.513 226 A N 1.845 124.772 122.820 0.178 0.000 2.351 226 A HA 0.128 4.449 4.320 0.002 0.000 0.257 226 A C -0.140 177.586 177.584 0.238 0.000 1.087 226 A CA -0.381 51.755 52.037 0.165 0.000 0.798 226 A CB 0.330 19.417 19.000 0.145 0.000 1.033 226 A HN 0.137 nan 8.150 nan 0.000 0.488 227 E N 0.029 120.307 120.200 0.130 0.000 2.374 227 E HA 0.123 4.474 4.350 0.002 0.000 0.260 227 E C 0.116 176.662 176.600 -0.091 0.000 1.101 227 E CA -0.263 56.192 56.400 0.091 0.000 0.907 227 E CB 0.458 30.194 29.700 0.060 0.000 1.014 227 E HN 0.642 nan 8.360 nan 0.000 0.427 228 F N 1.989 121.647 119.950 -0.486 0.000 2.216 228 F HA -0.168 4.360 4.527 0.002 0.000 0.300 228 F C 1.901 177.538 175.800 -0.272 0.000 1.085 228 F CA 1.638 59.219 58.000 -0.697 0.000 1.326 228 F CB -0.201 38.396 39.000 -0.671 0.000 1.027 228 F HN 0.546 nan 8.300 nan 0.000 0.497 229 A N -0.260 122.444 122.820 -0.193 0.000 1.898 229 A HA -0.187 4.134 4.320 0.002 0.000 0.216 229 A C 2.095 179.561 177.584 -0.196 0.000 1.181 229 A CA 1.732 53.651 52.037 -0.197 0.000 0.620 229 A CB -0.832 18.142 19.000 -0.043 0.000 0.819 229 A HN 0.403 nan 8.150 nan 0.000 0.442 230 E N -0.059 120.072 120.200 -0.115 0.000 2.031 230 E HA -0.117 4.234 4.350 0.002 0.000 0.193 230 E C 1.894 178.448 176.600 -0.077 0.000 0.994 230 E CA 1.536 57.909 56.400 -0.044 0.000 0.800 230 E CB -0.465 29.238 29.700 0.006 0.000 0.752 230 E HN 0.226 nan 8.360 nan 0.000 0.447 231 V N 0.349 120.186 119.914 -0.128 0.000 2.469 231 V HA -0.259 3.862 4.120 0.002 0.000 0.251 231 V C 2.280 178.245 176.094 -0.216 0.000 1.064 231 V CA 1.930 64.168 62.300 -0.103 0.000 1.066 231 V CB -0.548 31.237 31.823 -0.064 0.000 0.667 231 V HN 0.220 nan 8.190 nan 0.000 0.461 232 S N -0.673 114.764 115.700 -0.438 0.000 2.355 232 S HA -0.177 4.294 4.470 0.002 0.000 0.222 232 S C 2.105 176.589 174.600 -0.192 0.000 1.031 232 S CA 1.177 59.136 58.200 -0.401 0.000 0.993 232 S CB -0.315 62.546 63.200 -0.565 0.000 0.859 232 S HN 0.452 nan 8.310 nan 0.000 0.453 233 K N 1.504 121.804 120.400 -0.166 0.000 2.074 233 K HA -0.065 4.256 4.320 0.002 0.000 0.209 233 K C 1.963 178.501 176.600 -0.103 0.000 1.048 233 K CA 1.266 57.480 56.287 -0.122 0.000 0.926 233 K CB -0.592 31.846 32.500 -0.103 0.000 0.713 233 K HN 0.359 nan 8.250 nan 0.000 0.444 234 L N 0.330 121.520 121.223 -0.054 0.000 2.056 234 L HA -0.154 4.187 4.340 0.002 0.000 0.207 234 L C 2.507 179.400 176.870 0.038 0.000 1.078 234 L CA 0.659 55.504 54.840 0.008 0.000 0.749 234 L CB -0.412 41.703 42.059 0.093 0.000 0.901 234 L HN -0.087 nan 8.230 nan 0.000 0.433 235 V N -0.476 119.450 119.914 0.020 0.000 2.343 235 V HA -0.281 3.840 4.120 0.002 0.000 0.247 235 V C 2.557 178.708 176.094 0.094 0.000 1.051 235 V CA 2.286 64.621 62.300 0.059 0.000 1.036 235 V CB -0.767 31.067 31.823 0.020 0.000 0.654 235 V HN 0.479 nan 8.190 nan 0.000 0.451 236 T N -0.203 114.373 114.554 0.037 0.000 2.622 236 T HA -0.208 4.143 4.350 0.002 0.000 0.266 236 T C 1.697 176.428 174.700 0.052 0.000 1.047 236 T CA 1.833 63.958 62.100 0.041 0.000 1.159 236 T CB -0.429 68.435 68.868 -0.007 0.000 0.863 236 T HN 0.474 nan 8.240 nan 0.000 0.422 237 D N 1.076 121.483 120.400 0.012 0.000 2.123 237 D HA -0.049 4.592 4.640 0.002 0.000 0.196 237 D C 2.073 178.419 176.300 0.076 0.000 0.992 237 D CA 0.469 54.475 54.000 0.009 0.000 0.833 237 D CB -0.424 40.340 40.800 -0.060 0.000 0.954 237 D HN 0.147 nan 8.370 nan 0.000 0.455 238 L N 0.994 122.299 121.223 0.136 0.000 2.131 238 L HA -0.134 4.207 4.340 0.002 0.000 0.210 238 L C 1.956 179.034 176.870 0.347 0.000 1.092 238 L CA 1.441 56.430 54.840 0.248 0.000 0.759 238 L CB -0.757 41.476 42.059 0.289 0.000 0.903 238 L HN 0.044 nan 8.230 nan 0.000 0.435 239 T N -0.961 113.771 114.554 0.297 0.000 2.857 239 T HA -0.156 4.195 4.350 0.002 0.000 0.266 239 T C 2.028 176.769 174.700 0.069 0.000 1.048 239 T CA 1.420 63.662 62.100 0.236 0.000 1.139 239 T CB 0.094 69.106 68.868 0.240 0.000 0.874 239 T HN 0.202 nan 8.240 nan 0.000 0.455 240 K N 0.996 121.434 120.400 0.064 0.000 2.057 240 K HA -0.044 4.277 4.320 0.002 0.000 0.207 240 K C 2.344 178.951 176.600 0.012 0.000 1.049 240 K CA 1.122 57.422 56.287 0.022 0.000 0.931 240 K CB -1.055 31.457 32.500 0.019 0.000 0.714 240 K HN 0.323 nan 8.250 nan 0.000 0.440 241 V N 0.867 120.798 119.914 0.028 0.000 2.332 241 V HA -0.230 3.891 4.120 0.002 0.000 0.248 241 V C 2.633 178.669 176.094 -0.096 0.000 1.055 241 V CA 2.223 64.510 62.300 -0.022 0.000 1.038 241 V CB -0.764 31.048 31.823 -0.018 0.000 0.651 241 V HN 0.621 nan 8.190 nan 0.000 0.450 242 H N -0.036 118.985 119.070 -0.081 0.000 2.357 242 H HA -0.104 4.454 4.556 0.003 0.000 0.301 242 H C 2.489 177.705 175.328 -0.186 0.000 1.082 242 H CA 2.026 57.971 56.048 -0.173 0.000 1.342 242 H CB -0.196 29.335 29.762 -0.385 0.000 1.389 242 H HN 0.427 nan 8.280 nan 0.000 0.511 243 T N 0.101 114.607 114.554 -0.080 0.000 2.622 243 T HA -0.205 4.146 4.350 0.002 0.000 0.266 243 T C 2.050 176.739 174.700 -0.019 0.000 1.047 243 T CA 1.740 63.792 62.100 -0.080 0.000 1.159 243 T CB -0.379 68.441 68.868 -0.081 0.000 0.863 243 T HN 0.325 nan 8.240 nan 0.000 0.422 244 E N 0.188 120.386 120.200 -0.004 0.000 2.021 244 E HA -0.226 4.125 4.350 0.002 0.000 0.200 244 E C 2.524 179.160 176.600 0.060 0.000 1.015 244 E CA 1.665 58.093 56.400 0.045 0.000 0.824 244 E CB -1.076 28.642 29.700 0.030 0.000 0.762 244 E HN 0.741 nan 8.360 nan 0.000 0.454 245 c N -0.033 118.558 118.600 -0.014 0.000 2.403 245 c HA -0.128 4.443 4.570 0.002 0.000 0.282 245 c C 2.894 176.999 174.090 0.025 0.000 1.297 245 c CA 0.857 57.170 56.329 -0.027 0.000 1.785 245 c CB -1.555 40.851 42.510 -0.174 0.000 1.963 245 c HN 0.711 nan 8.230 nan 0.000 0.507 246 c N -1.649 116.966 118.600 0.026 0.000 2.485 246 c HA -0.047 4.524 4.570 0.002 0.000 0.277 246 c C 2.507 176.665 174.090 0.113 0.000 1.376 246 c CA 0.461 56.813 56.329 0.039 0.000 1.759 246 c CB -1.738 40.764 42.510 -0.014 0.000 1.970 246 c HN 0.713 nan 8.230 nan 0.000 0.509 247 H N 0.495 119.576 119.070 0.018 0.000 2.489 247 H HA -0.018 4.539 4.556 0.002 0.000 0.293 247 H C 1.918 177.321 175.328 0.125 0.000 1.066 247 H CA 1.085 57.159 56.048 0.044 0.000 1.305 247 H CB -0.036 29.746 29.762 0.033 0.000 1.386 247 H HN 0.552 nan 8.280 nan 0.000 0.551 248 G N 0.796 109.684 108.800 0.146 0.000 2.195 248 G HA2 -0.246 3.715 3.960 0.002 0.000 0.224 248 G HA3 -0.246 3.715 3.960 0.002 0.000 0.224 248 G C -0.038 174.864 174.900 0.002 0.000 0.990 248 G CA 0.221 45.399 45.100 0.130 0.000 0.639 248 G HN 0.523 nan 8.290 nan 0.000 0.514 249 D N 1.383 121.788 120.400 0.008 0.000 2.383 249 D HA 0.312 4.953 4.640 0.002 0.000 0.245 249 D C 1.764 178.110 176.300 0.077 0.000 1.263 249 D CA -0.372 53.667 54.000 0.065 0.000 0.936 249 D CB 0.662 41.533 40.800 0.118 0.000 1.053 249 D HN 0.139 nan 8.370 nan 0.000 0.507 250 L N 5.539 126.777 121.223 0.024 0.000 1.997 250 L HA -0.240 4.101 4.340 0.002 0.000 0.216 250 L C 1.899 178.770 176.870 0.002 0.000 1.074 250 L CA 1.855 56.694 54.840 -0.003 0.000 0.763 250 L CB -0.651 41.333 42.059 -0.124 0.000 0.890 250 L HN 0.540 nan 8.230 nan 0.000 0.434 251 L N -0.730 120.454 121.223 -0.065 0.000 1.970 251 L HA -0.249 4.092 4.340 0.002 0.000 0.212 251 L C 2.646 179.553 176.870 0.062 0.000 1.071 251 L CA 1.995 56.794 54.840 -0.069 0.000 0.751 251 L CB -0.802 41.100 42.059 -0.260 0.000 0.889 251 L HN 0.449 nan 8.230 nan 0.000 0.432 252 E N -0.406 119.881 120.200 0.146 0.000 2.085 252 E HA -0.294 4.057 4.350 0.002 0.000 0.194 252 E C 2.387 179.047 176.600 0.101 0.000 0.994 252 E CA 1.647 58.133 56.400 0.144 0.000 0.801 252 E CB -0.096 29.699 29.700 0.157 0.000 0.743 252 E HN 0.571 nan 8.360 nan 0.000 0.453 253 c N 0.351 119.010 118.600 0.099 0.000 2.413 253 c HA -0.093 4.478 4.570 0.002 0.000 0.276 253 c C 2.890 177.040 174.090 0.099 0.000 1.236 253 c CA 1.524 57.899 56.329 0.076 0.000 1.735 253 c CB -1.180 41.387 42.510 0.095 0.000 2.031 253 c HN 0.584 nan 8.230 nan 0.000 0.474 254 A N 0.121 123.045 122.820 0.174 0.000 1.902 254 A HA -0.162 4.159 4.320 0.002 0.000 0.217 254 A C 1.837 179.495 177.584 0.125 0.000 1.181 254 A CA 2.347 54.508 52.037 0.207 0.000 0.623 254 A CB -0.784 18.297 19.000 0.136 0.000 0.818 254 A HN 0.655 nan 8.150 nan 0.000 0.443 255 D N 0.115 120.571 120.400 0.093 0.000 2.117 255 D HA -0.091 4.550 4.640 0.002 0.000 0.198 255 D C 1.406 177.753 176.300 0.079 0.000 0.982 255 D CA 1.241 55.292 54.000 0.086 0.000 0.828 255 D CB -0.321 40.533 40.800 0.090 0.000 0.967 255 D HN 0.362 nan 8.370 nan 0.000 0.464 256 D N 0.213 120.652 120.400 0.066 0.000 2.149 256 D HA -0.101 4.540 4.640 0.002 0.000 0.198 256 D C 2.077 178.403 176.300 0.044 0.000 0.990 256 D CA 0.672 54.701 54.000 0.048 0.000 0.839 256 D CB -0.087 40.731 40.800 0.029 0.000 0.948 256 D HN 0.207 nan 8.370 nan 0.000 0.460 257 R N 0.510 121.034 120.500 0.039 0.000 2.115 257 R HA 0.018 4.359 4.340 0.002 0.000 0.230 257 R C 2.258 178.607 176.300 0.083 0.000 1.111 257 R CA 0.998 57.122 56.100 0.039 0.000 0.976 257 R CB -0.137 30.167 30.300 0.007 0.000 0.870 257 R HN 0.091 nan 8.270 nan 0.000 0.445 258 A N 1.568 124.446 122.820 0.096 0.000 1.855 258 A HA -0.190 4.131 4.320 0.002 0.000 0.215 258 A C 1.623 179.267 177.584 0.099 0.000 1.191 258 A CA 1.660 53.757 52.037 0.101 0.000 0.613 258 A CB -0.449 18.608 19.000 0.094 0.000 0.829 258 A HN 0.137 nan 8.150 nan 0.000 0.442 259 D N -0.382 120.074 120.400 0.095 0.000 2.116 259 D HA -0.161 4.480 4.640 0.002 0.000 0.193 259 D C 1.826 178.199 176.300 0.122 0.000 0.998 259 D CA 1.491 55.553 54.000 0.102 0.000 0.836 259 D CB -0.436 40.413 40.800 0.082 0.000 0.951 259 D HN 0.306 nan 8.370 nan 0.000 0.449 260 L N 0.696 121.979 121.223 0.101 0.000 2.131 260 L HA -0.084 4.257 4.340 0.002 0.000 0.210 260 L C 2.068 179.033 176.870 0.157 0.000 1.092 260 L CA 1.579 56.489 54.840 0.117 0.000 0.759 260 L CB -0.624 41.484 42.059 0.082 0.000 0.903 260 L HN -0.041 nan 8.230 nan 0.000 0.435 261 A N 0.158 123.054 122.820 0.125 0.000 1.872 261 A HA -0.193 4.128 4.320 0.002 0.000 0.214 261 A C 2.260 179.901 177.584 0.094 0.000 1.187 261 A CA 1.566 53.668 52.037 0.108 0.000 0.614 261 A CB -0.525 18.535 19.000 0.099 0.000 0.826 261 A HN 0.614 nan 8.150 nan 0.000 0.442 262 K N -1.667 118.793 120.400 0.101 0.000 2.097 262 K HA -0.205 4.116 4.320 0.002 0.000 0.206 262 K C 1.979 178.616 176.600 0.062 0.000 1.049 262 K CA 1.715 58.047 56.287 0.074 0.000 0.933 262 K CB -0.666 31.884 32.500 0.084 0.000 0.717 262 K HN 0.419 nan 8.250 nan 0.000 0.442 263 Y N 2.070 122.379 120.300 0.015 0.000 2.097 263 Y HA -0.186 4.365 4.550 0.001 0.000 0.282 263 Y C 1.979 177.868 175.900 -0.019 0.000 1.152 263 Y CA 1.699 59.801 58.100 0.002 0.000 1.136 263 Y CB -0.190 38.274 38.460 0.008 0.000 0.975 263 Y HN -0.036 nan 8.280 nan 0.000 0.498 264 I N -0.822 119.788 120.570 0.066 0.000 2.163 264 I HA -0.425 3.746 4.170 0.002 0.000 0.243 264 I C 2.494 178.518 176.117 -0.155 0.000 1.085 264 I CA 1.525 62.792 61.300 -0.054 0.000 1.347 264 I CB -0.701 37.315 38.000 0.026 0.000 1.044 264 I HN 0.383 nan 8.210 nan 0.000 0.408 265 c N 0.596 119.142 118.600 -0.090 0.000 2.422 265 c HA -0.122 4.449 4.570 0.002 0.000 0.279 265 c C 2.614 176.632 174.090 -0.120 0.000 1.305 265 c CA 0.748 57.025 56.329 -0.086 0.000 1.757 265 c CB -1.074 41.415 42.510 -0.036 0.000 1.962 265 c HN 0.498 nan 8.230 nan 0.000 0.499 266 E N 0.562 120.665 120.200 -0.162 0.000 2.107 266 E HA -0.103 4.248 4.350 0.002 0.000 0.191 266 E C 1.027 177.496 176.600 -0.218 0.000 0.982 266 E CA 0.840 57.138 56.400 -0.171 0.000 0.809 266 E CB -0.290 29.305 29.700 -0.174 0.000 0.756 266 E HN 0.742 nan 8.360 nan 0.000 0.459 267 N N 1.304 119.803 118.700 -0.336 0.000 2.295 267 N HA -0.020 4.721 4.740 0.002 0.000 0.221 267 N C 1.324 176.701 175.510 -0.223 0.000 1.129 267 N CA -0.219 52.650 53.050 -0.303 0.000 0.836 267 N CB 0.280 38.495 38.487 -0.453 0.000 1.040 267 N HN 0.151 nan 8.380 nan 0.000 0.494 268 Q N 1.121 120.809 119.800 -0.187 0.000 2.268 268 Q HA -0.225 4.116 4.340 0.002 0.000 0.210 268 Q C 0.657 176.579 176.000 -0.130 0.000 0.988 268 Q CA 1.535 57.243 55.803 -0.157 0.000 0.883 268 Q CB 0.176 28.845 28.738 -0.115 0.000 0.911 268 Q HN 0.324 nan 8.270 nan 0.000 0.430 269 D N -0.353 119.984 120.400 -0.106 0.000 2.194 269 D HA -0.067 4.574 4.640 0.002 0.000 0.204 269 D C 1.556 177.813 176.300 -0.071 0.000 0.964 269 D CA 1.316 55.271 54.000 -0.076 0.000 0.846 269 D CB 0.085 40.849 40.800 -0.059 0.000 0.962 269 D HN 0.323 nan 8.370 nan 0.000 0.490 270 S N -0.652 114.997 115.700 -0.086 0.000 2.660 270 S HA 0.206 4.677 4.470 0.002 0.000 0.227 270 S C 1.459 176.012 174.600 -0.079 0.000 0.948 270 S CA -0.202 57.961 58.200 -0.062 0.000 0.948 270 S CB -0.069 63.100 63.200 -0.052 0.000 0.779 270 S HN 0.170 nan 8.310 nan 0.000 0.487 271 I N -0.482 120.005 120.570 -0.139 0.000 3.746 271 I HA 0.320 4.491 4.170 0.002 0.000 0.262 271 I C 0.641 176.617 176.117 -0.236 0.000 1.153 271 I CA 0.036 61.191 61.300 -0.242 0.000 1.395 271 I CB 0.801 38.544 38.000 -0.428 0.000 1.589 271 I HN 0.361 nan 8.210 nan 0.000 0.441 272 S N -0.554 115.026 115.700 -0.200 0.000 2.578 272 S HA 0.240 4.711 4.470 0.002 0.000 0.272 272 S C 0.175 174.745 174.600 -0.050 0.000 1.145 272 S CA 0.075 58.230 58.200 -0.074 0.000 0.835 272 S CB 1.336 64.525 63.200 -0.019 0.000 1.104 272 S HN 0.229 nan 8.310 nan 0.000 0.458 273 S N 1.599 117.297 115.700 -0.005 0.000 2.503 273 S HA 0.226 4.697 4.470 0.002 0.000 0.215 273 S C 0.824 175.424 174.600 -0.000 0.000 1.003 273 S CA -0.273 57.921 58.200 -0.011 0.000 0.910 273 S CB -0.144 63.052 63.200 -0.007 0.000 0.790 273 S HN 0.609 nan 8.310 nan 0.000 0.514 274 K N 1.466 121.880 120.400 0.024 0.000 2.522 274 K HA 0.303 4.624 4.320 0.002 0.000 0.194 274 K C 0.765 177.380 176.600 0.025 0.000 1.026 274 K CA 0.118 56.421 56.287 0.026 0.000 1.119 274 K CB -0.295 32.232 32.500 0.045 0.000 0.856 274 K HN 0.469 nan 8.250 nan 0.000 0.513 275 L N 0.271 121.498 121.223 0.007 0.000 2.607 275 L HA 0.018 4.359 4.340 0.002 0.000 0.228 275 L C 2.546 179.407 176.870 -0.015 0.000 1.123 275 L CA 0.149 54.986 54.840 -0.004 0.000 0.890 275 L CB -0.429 41.606 42.059 -0.040 0.000 1.103 275 L HN 0.071 nan 8.230 nan 0.000 0.468 276 K N 0.843 121.233 120.400 -0.016 0.000 2.009 276 K HA -0.196 4.125 4.320 0.002 0.000 0.210 276 K C 2.188 178.780 176.600 -0.014 0.000 1.049 276 K CA 1.964 58.240 56.287 -0.018 0.000 0.929 276 K CB -1.342 31.148 32.500 -0.017 0.000 0.714 276 K HN 0.432 nan 8.250 nan 0.000 0.440 277 E N 0.303 120.496 120.200 -0.012 0.000 2.033 277 E HA -0.225 4.126 4.350 0.002 0.000 0.199 277 E C 2.385 178.977 176.600 -0.012 0.000 1.011 277 E CA 1.764 58.157 56.400 -0.012 0.000 0.815 277 E CB -1.557 28.135 29.700 -0.014 0.000 0.755 277 E HN 0.702 nan 8.360 nan 0.000 0.451 278 c N -0.303 118.292 118.600 -0.009 0.000 2.403 278 c HA -0.143 4.428 4.570 0.002 0.000 0.277 278 c C 2.798 176.887 174.090 -0.001 0.000 1.248 278 c CA 0.976 57.302 56.329 -0.006 0.000 1.762 278 c CB -1.123 41.390 42.510 0.004 0.000 2.014 278 c HN 0.807 nan 8.230 nan 0.000 0.486 279 c N 0.308 118.905 118.600 -0.005 0.000 2.576 279 c HA 0.164 4.735 4.570 0.002 0.000 0.267 279 c C 2.570 176.658 174.090 -0.004 0.000 1.364 279 c CA 1.065 57.391 56.329 -0.005 0.000 1.723 279 c CB -1.813 40.687 42.510 -0.017 0.000 1.778 279 c HN 0.805 nan 8.230 nan 0.000 0.572 280 E N 0.834 121.030 120.200 -0.006 0.000 2.415 280 E HA 0.058 4.409 4.350 0.002 0.000 0.197 280 E C 0.802 177.400 176.600 -0.003 0.000 1.007 280 E CA 0.231 56.628 56.400 -0.005 0.000 0.890 280 E CB -0.029 29.666 29.700 -0.008 0.000 0.891 280 E HN 0.684 nan 8.360 nan 0.000 0.496 281 K N 1.165 121.563 120.400 -0.004 0.000 2.120 281 K HA 0.296 4.617 4.320 0.002 0.000 0.245 281 K C -2.263 174.340 176.600 0.005 0.000 1.024 281 K CA -1.554 54.729 56.287 -0.006 0.000 0.906 281 K CB 0.716 33.204 32.500 -0.020 0.000 1.051 281 K HN 0.184 nan 8.250 nan 0.000 0.491 282 P HA -0.014 nan 4.420 nan 0.000 0.274 282 P C 0.771 178.095 177.300 0.039 0.000 1.231 282 P CA -0.296 62.816 63.100 0.019 0.000 0.790 282 P CB 0.710 32.419 31.700 0.015 0.000 0.951 283 L N 3.158 124.407 121.223 0.043 0.000 2.077 283 L HA -0.281 4.060 4.340 0.002 0.000 0.231 283 L C 2.299 179.232 176.870 0.105 0.000 1.100 283 L CA 2.177 57.054 54.840 0.061 0.000 0.819 283 L CB -1.479 40.602 42.059 0.037 0.000 0.913 283 L HN 0.349 nan 8.230 nan 0.000 0.446 284 L N -0.494 120.800 121.223 0.118 0.000 2.129 284 L HA -0.235 4.106 4.340 0.002 0.000 0.212 284 L C 2.161 179.244 176.870 0.355 0.000 1.087 284 L CA 2.230 57.201 54.840 0.219 0.000 0.757 284 L CB -0.570 41.617 42.059 0.214 0.000 0.896 284 L HN 0.570 nan 8.230 nan 0.000 0.434 285 E N -2.052 118.239 120.200 0.151 0.000 2.489 285 E HA -0.014 4.337 4.350 0.002 0.000 0.204 285 E C 1.710 178.351 176.600 0.069 0.000 1.006 285 E CA -0.176 56.226 56.400 0.003 0.000 0.936 285 E CB 0.185 29.744 29.700 -0.234 0.000 1.002 285 E HN 0.429 nan 8.360 nan 0.000 0.488 286 K N 1.198 121.655 120.400 0.096 0.000 2.001 286 K HA -0.145 4.176 4.320 0.002 0.000 0.214 286 K C 2.280 178.946 176.600 0.108 0.000 1.050 286 K CA 1.602 57.938 56.287 0.082 0.000 0.934 286 K CB -0.189 32.357 32.500 0.076 0.000 0.718 286 K HN -0.071 nan 8.250 nan 0.000 0.443 287 S N 0.200 115.994 115.700 0.158 0.000 2.369 287 S HA -0.259 4.212 4.470 0.002 0.000 0.225 287 S C 1.899 176.599 174.600 0.167 0.000 1.043 287 S CA 1.896 60.192 58.200 0.161 0.000 1.074 287 S CB -0.559 62.752 63.200 0.185 0.000 0.962 287 S HN 0.420 nan 8.310 nan 0.000 0.433 288 H N 0.150 119.322 119.070 0.171 0.000 2.321 288 H HA -0.159 4.398 4.556 0.002 0.000 0.295 288 H C 2.510 177.870 175.328 0.054 0.000 1.102 288 H CA 1.994 58.136 56.048 0.158 0.000 1.266 288 H CB -0.913 28.983 29.762 0.224 0.000 1.363 288 H HN 0.452 nan 8.280 nan 0.000 0.492 289 c N -0.130 118.438 118.600 -0.054 0.000 2.436 289 c HA -0.099 4.472 4.570 0.002 0.000 0.277 289 c C 2.878 176.926 174.090 -0.070 0.000 1.241 289 c CA 1.100 57.365 56.329 -0.106 0.000 1.721 289 c CB -1.376 41.114 42.510 -0.032 0.000 2.043 289 c HN 0.695 nan 8.230 nan 0.000 0.472 290 I N 1.491 122.064 120.570 0.005 0.000 2.163 290 I HA -0.191 3.980 4.170 0.002 0.000 0.243 290 I C 2.786 178.938 176.117 0.058 0.000 1.085 290 I CA 1.795 63.130 61.300 0.059 0.000 1.347 290 I CB -0.707 37.352 38.000 0.099 0.000 1.044 290 I HN 0.413 nan 8.210 nan 0.000 0.408 291 A N -0.109 122.725 122.820 0.024 0.000 2.121 291 A HA -0.208 4.113 4.320 0.002 0.000 0.218 291 A C 2.118 179.679 177.584 -0.038 0.000 1.154 291 A CA 1.662 53.711 52.037 0.020 0.000 0.679 291 A CB -0.419 18.603 19.000 0.037 0.000 0.795 291 A HN 0.436 nan 8.150 nan 0.000 0.458 292 E N -1.185 118.955 120.200 -0.100 0.000 2.460 292 E HA 0.179 4.529 4.350 0.002 0.000 0.200 292 E C 0.490 177.048 176.600 -0.069 0.000 1.011 292 E CA -0.130 56.201 56.400 -0.116 0.000 0.912 292 E CB 0.145 29.711 29.700 -0.223 0.000 0.953 292 E HN 0.196 nan 8.360 nan 0.000 0.494 293 V N 1.726 121.620 119.914 -0.034 0.000 3.098 293 V HA -0.156 3.965 4.120 0.002 0.000 0.298 293 V C 0.408 176.489 176.094 -0.021 0.000 1.200 293 V CA 0.725 63.024 62.300 -0.000 0.000 1.321 293 V CB 0.896 32.767 31.823 0.080 0.000 0.947 293 V HN 0.298 nan 8.190 nan 0.000 0.513 294 E N 4.052 124.245 120.200 -0.012 0.000 2.374 294 E HA 0.156 4.507 4.350 0.002 0.000 0.260 294 E C -0.100 176.483 176.600 -0.029 0.000 1.101 294 E CA -0.768 55.615 56.400 -0.029 0.000 0.907 294 E CB 0.524 30.209 29.700 -0.024 0.000 1.014 294 E HN 0.797 nan 8.360 nan 0.000 0.427 295 N N 2.624 121.289 118.700 -0.058 0.000 2.458 295 N HA -0.030 4.711 4.740 0.002 0.000 0.258 295 N C -0.600 174.896 175.510 -0.023 0.000 1.219 295 N CA 0.178 53.186 53.050 -0.070 0.000 0.902 295 N CB 0.572 39.003 38.487 -0.093 0.000 1.076 295 N HN 0.456 nan 8.380 nan 0.000 0.455 296 D N 0.784 121.194 120.400 0.017 0.000 2.354 296 D HA 0.105 4.746 4.640 0.002 0.000 0.247 296 D C -0.367 175.929 176.300 -0.006 0.000 1.138 296 D CA -0.166 53.855 54.000 0.036 0.000 0.958 296 D CB 0.767 41.628 40.800 0.101 0.000 1.144 296 D HN 0.326 nan 8.370 nan 0.000 0.458 297 E N 0.494 120.686 120.200 -0.013 0.000 2.343 297 E HA 0.235 4.586 4.350 0.002 0.000 0.269 297 E C -0.035 176.541 176.600 -0.040 0.000 1.047 297 E CA -0.394 55.984 56.400 -0.036 0.000 0.874 297 E CB 1.101 30.780 29.700 -0.035 0.000 1.033 297 E HN 0.430 nan 8.360 nan 0.000 0.409 298 M N 1.001 120.560 119.600 -0.068 0.000 2.255 298 M HA 0.301 4.782 4.480 0.002 0.000 0.336 298 M C -1.914 174.346 176.300 -0.067 0.000 1.135 298 M CA -1.583 53.669 55.300 -0.081 0.000 1.145 298 M CB 0.195 32.716 32.600 -0.131 0.000 1.473 298 M HN 0.111 nan 8.290 nan 0.000 0.462 299 P HA -0.230 nan 4.420 nan 0.000 0.218 299 P C 0.964 178.235 177.300 -0.049 0.000 1.147 299 P CA 2.755 65.828 63.100 -0.044 0.000 0.827 299 P CB -0.016 31.661 31.700 -0.038 0.000 0.778 300 A N -1.999 120.781 122.820 -0.068 0.000 3.292 300 A HA -0.366 3.955 4.320 0.002 0.000 0.241 300 A C 1.412 178.964 177.584 -0.053 0.000 0.569 300 A CA 2.283 54.282 52.037 -0.063 0.000 1.149 300 A CB -2.706 16.264 19.000 -0.050 0.000 1.321 300 A HN 0.418 nan 8.150 nan 0.000 0.679 301 D N 0.128 120.503 120.400 -0.041 0.000 3.060 301 D HA 0.595 5.236 4.640 0.002 0.000 0.245 301 D C -0.020 176.261 176.300 -0.032 0.000 1.274 301 D CA 0.563 54.544 54.000 -0.030 0.000 0.864 301 D CB -0.420 40.368 40.800 -0.019 0.000 1.073 301 D HN 0.692 nan 8.370 nan 0.000 0.473 302 L N 0.291 121.485 121.223 -0.049 0.000 2.317 302 L HA 0.495 4.836 4.340 0.002 0.000 0.281 302 L C -1.671 175.171 176.870 -0.046 0.000 1.024 302 L CA -1.647 53.161 54.840 -0.054 0.000 0.810 302 L CB 1.895 43.899 42.059 -0.093 0.000 1.240 302 L HN 0.197 nan 8.230 nan 0.000 0.427 303 P HA 0.062 nan 4.420 nan 0.000 0.280 303 P C -0.812 176.482 177.300 -0.010 0.000 1.278 303 P CA -0.420 62.675 63.100 -0.009 0.000 0.787 303 P CB 0.460 32.166 31.700 0.010 0.000 1.163 304 S N -0.873 114.836 115.700 0.015 0.000 2.489 304 S HA 0.241 4.712 4.470 0.002 0.000 0.291 304 S C 1.201 175.857 174.600 0.093 0.000 1.151 304 S CA -0.696 57.525 58.200 0.035 0.000 1.082 304 S CB -0.125 63.094 63.200 0.033 0.000 1.019 304 S HN 0.339 nan 8.310 nan 0.000 0.492 305 L N 4.146 125.459 121.223 0.151 0.000 2.079 305 L HA -0.093 4.248 4.340 0.002 0.000 0.210 305 L C 2.884 179.982 176.870 0.379 0.000 1.081 305 L CA 1.563 56.605 54.840 0.338 0.000 0.752 305 L CB -0.871 41.382 42.059 0.323 0.000 0.896 305 L HN 0.865 nan 8.230 nan 0.000 0.433 306 A N 0.248 123.140 122.820 0.118 0.000 1.986 306 A HA -0.240 4.081 4.320 0.002 0.000 0.220 306 A C 2.544 180.126 177.584 -0.003 0.000 1.171 306 A CA 1.846 53.786 52.037 -0.162 0.000 0.640 306 A CB -0.639 18.181 19.000 -0.300 0.000 0.811 306 A HN 0.437 nan 8.150 nan 0.000 0.451 307 A N 0.145 122.988 122.820 0.038 0.000 1.837 307 A HA -0.259 4.062 4.320 0.002 0.000 0.216 307 A C 1.859 179.449 177.584 0.011 0.000 1.210 307 A CA 1.844 53.898 52.037 0.027 0.000 0.632 307 A CB -0.832 18.181 19.000 0.022 0.000 0.843 307 A HN 0.542 nan 8.150 nan 0.000 0.448 308 D N -1.773 118.596 120.400 -0.052 0.000 2.269 308 D HA -0.015 4.626 4.640 0.002 0.000 0.208 308 D C 0.902 176.946 176.300 -0.426 0.000 0.963 308 D CA 1.034 54.865 54.000 -0.281 0.000 0.864 308 D CB -0.044 40.450 40.800 -0.510 0.000 0.936 308 D HN 0.522 nan 8.370 nan 0.000 0.505 309 F N -0.607 119.452 119.950 0.180 0.000 2.682 309 F HA 0.105 4.633 4.527 0.002 0.000 0.308 309 F C 1.588 177.493 175.800 0.175 0.000 1.093 309 F CA -0.165 57.986 58.000 0.251 0.000 1.244 309 F CB 0.828 39.991 39.000 0.271 0.000 1.052 309 F HN -0.218 nan 8.300 nan 0.000 0.573 310 V N -1.715 118.307 119.914 0.180 0.000 3.177 310 V HA 0.044 4.165 4.120 0.002 0.000 0.220 310 V C 1.586 177.808 176.094 0.214 0.000 1.395 310 V CA 0.326 62.694 62.300 0.113 0.000 1.317 310 V CB 0.266 31.986 31.823 -0.171 0.000 1.148 310 V HN -0.001 nan 8.190 nan 0.000 0.499 311 E N 0.906 121.202 120.200 0.160 0.000 2.042 311 E HA 0.003 4.354 4.350 0.002 0.000 0.189 311 E C 1.212 177.984 176.600 0.286 0.000 0.974 311 E CA 0.896 57.459 56.400 0.271 0.000 0.806 311 E CB 0.002 29.782 29.700 0.133 0.000 0.769 311 E HN 0.389 nan 8.360 nan 0.000 0.451 312 S N 1.093 116.890 115.700 0.163 0.000 2.673 312 S HA 0.105 4.576 4.470 0.002 0.000 0.308 312 S C 0.081 174.783 174.600 0.170 0.000 1.246 312 S CA 0.073 58.342 58.200 0.115 0.000 1.077 312 S CB 0.115 63.349 63.200 0.056 0.000 0.814 312 S HN 0.223 nan 8.310 nan 0.000 0.503 313 K N 3.257 123.722 120.400 0.109 0.000 2.276 313 K HA 0.307 4.628 4.320 0.002 0.000 0.259 313 K C 0.736 177.393 176.600 0.095 0.000 1.001 313 K CA 0.324 56.679 56.287 0.114 0.000 0.927 313 K CB -0.277 32.233 32.500 0.017 0.000 0.969 313 K HN 0.867 nan 8.250 nan 0.000 0.490 314 D N -1.487 118.971 120.400 0.097 0.000 2.225 314 D HA -0.190 4.451 4.640 0.002 0.000 0.166 314 D C 1.410 177.716 176.300 0.009 0.000 0.952 314 D CA 1.096 55.121 54.000 0.042 0.000 1.000 314 D CB -1.836 38.975 40.800 0.019 0.000 1.087 314 D HN 0.307 nan 8.370 nan 0.000 0.509 315 V N 1.049 121.002 119.914 0.065 0.000 2.242 315 V HA -0.452 3.669 4.120 0.002 0.000 0.257 315 V C 2.707 178.682 176.094 -0.199 0.000 1.073 315 V CA 2.963 65.246 62.300 -0.028 0.000 1.058 315 V CB -0.728 31.081 31.823 -0.023 0.000 0.664 315 V HN 0.571 nan 8.190 nan 0.000 0.451 316 c N -0.657 117.925 118.600 -0.029 0.000 2.429 316 c HA -0.127 4.444 4.570 0.002 0.000 0.277 316 c C 3.079 177.136 174.090 -0.055 0.000 1.262 316 c CA 1.440 57.772 56.329 0.006 0.000 1.733 316 c CB -1.421 41.145 42.510 0.094 0.000 2.010 316 c HN 0.731 nan 8.230 nan 0.000 0.483 317 K N 1.301 121.667 120.400 -0.056 0.000 2.032 317 K HA -0.223 4.098 4.320 0.002 0.000 0.209 317 K C 1.530 178.054 176.600 -0.126 0.000 1.048 317 K CA 2.370 58.617 56.287 -0.067 0.000 0.927 317 K CB -1.265 31.213 32.500 -0.036 0.000 0.712 317 K HN 0.666 nan 8.250 nan 0.000 0.441 318 N N -1.059 117.518 118.700 -0.204 0.000 2.244 318 N HA -0.049 4.692 4.740 0.002 0.000 0.183 318 N C 1.634 176.886 175.510 -0.431 0.000 1.016 318 N CA 1.323 54.211 53.050 -0.270 0.000 0.866 318 N CB -0.275 38.057 38.487 -0.257 0.000 0.980 318 N HN 0.633 nan 8.380 nan 0.000 0.430 319 Y N 0.932 120.748 120.300 -0.806 0.000 2.286 319 Y HA 0.157 4.709 4.550 0.003 0.000 0.293 319 Y C 2.082 177.857 175.900 -0.207 0.000 1.124 319 Y CA 1.008 58.736 58.100 -0.620 0.000 1.178 319 Y CB -0.532 37.584 38.460 -0.572 0.000 1.010 319 Y HN 0.039 nan 8.280 nan 0.000 0.536 320 A N 0.067 122.700 122.820 -0.312 0.000 2.014 320 A HA -0.133 4.188 4.320 0.002 0.000 0.218 320 A C 2.195 179.656 177.584 -0.206 0.000 1.163 320 A CA 1.399 53.245 52.037 -0.318 0.000 0.652 320 A CB -0.772 18.128 19.000 -0.166 0.000 0.808 320 A HN 0.628 nan 8.150 nan 0.000 0.449 321 E N -0.416 119.700 120.200 -0.141 0.000 2.150 321 E HA 0.074 4.425 4.350 0.002 0.000 0.193 321 E C 0.328 176.904 176.600 -0.041 0.000 0.985 321 E CA 0.932 57.290 56.400 -0.070 0.000 0.814 321 E CB -0.046 29.631 29.700 -0.038 0.000 0.752 321 E HN 0.491 nan 8.360 nan 0.000 0.466 322 A N 0.368 123.167 122.820 -0.035 0.000 2.664 322 A HA 0.203 4.524 4.320 0.002 0.000 0.300 322 A C 0.146 177.775 177.584 0.076 0.000 1.210 322 A CA -0.642 51.414 52.037 0.032 0.000 0.863 322 A CB 0.585 19.647 19.000 0.104 0.000 1.464 322 A HN 0.037 nan 8.150 nan 0.000 0.438 323 K N 0.400 120.768 120.400 -0.054 0.000 2.020 323 K HA -0.182 4.139 4.320 0.002 0.000 0.212 323 K C 0.757 177.529 176.600 0.287 0.000 1.050 323 K CA 2.048 58.326 56.287 -0.015 0.000 0.929 323 K CB 0.038 32.390 32.500 -0.246 0.000 0.714 323 K HN 0.652 nan 8.250 nan 0.000 0.443 324 D N 0.460 120.981 120.400 0.201 0.000 2.144 324 D HA -0.102 4.539 4.640 0.002 0.000 0.200 324 D C 2.018 178.483 176.300 0.275 0.000 0.978 324 D CA 0.792 54.929 54.000 0.228 0.000 0.833 324 D CB -0.172 40.728 40.800 0.166 0.000 0.961 324 D HN -0.047 nan 8.370 nan 0.000 0.470 325 V N 0.841 120.922 119.914 0.278 0.000 2.343 325 V HA -0.224 3.897 4.120 0.002 0.000 0.247 325 V C 2.178 178.467 176.094 0.325 0.000 1.051 325 V CA 1.201 63.697 62.300 0.326 0.000 1.036 325 V CB -0.596 31.405 31.823 0.297 0.000 0.654 325 V HN 0.069 nan 8.190 nan 0.000 0.451 326 F N 0.470 120.557 119.950 0.228 0.000 2.102 326 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 326 F C 2.061 178.057 175.800 0.326 0.000 1.105 326 F CA 1.591 59.757 58.000 0.278 0.000 1.239 326 F CB -0.290 38.930 39.000 0.368 0.000 0.991 326 F HN 0.006 nan 8.300 nan 0.000 0.474 327 L N -0.414 121.041 121.223 0.387 0.000 2.131 327 L HA -0.132 4.209 4.340 0.002 0.000 0.210 327 L C 2.737 179.727 176.870 0.200 0.000 1.092 327 L CA 1.190 56.193 54.840 0.271 0.000 0.759 327 L CB -1.444 40.791 42.059 0.293 0.000 0.903 327 L HN 0.325 nan 8.230 nan 0.000 0.435 328 G N -0.604 108.324 108.800 0.212 0.000 2.418 328 G HA2 -0.278 3.683 3.960 0.002 0.000 0.217 328 G HA3 -0.278 3.683 3.960 0.002 0.000 0.217 328 G C 1.651 176.618 174.900 0.111 0.000 1.158 328 G CA 0.529 45.778 45.100 0.248 0.000 0.771 328 G HN 0.173 nan 8.290 nan 0.000 0.545 329 M N -0.729 118.750 119.600 -0.200 0.000 2.117 329 M HA 0.035 4.516 4.480 0.002 0.000 0.262 329 M C 2.217 178.440 176.300 -0.129 0.000 1.065 329 M CA 1.193 56.238 55.300 -0.424 0.000 1.114 329 M CB -0.215 32.150 32.600 -0.393 0.000 1.361 329 M HN 0.276 nan 8.290 nan 0.000 0.408 330 F N 0.830 120.530 119.950 -0.416 0.000 2.069 330 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 330 F C 1.808 177.358 175.800 -0.416 0.000 1.113 330 F CA 1.765 59.274 58.000 -0.819 0.000 1.214 330 F CB -0.554 38.031 39.000 -0.692 0.000 0.978 330 F HN 0.002 nan 8.300 nan 0.000 0.474 331 L N -0.985 120.098 121.223 -0.232 0.000 1.989 331 L HA -0.285 4.056 4.340 0.002 0.000 0.211 331 L C 2.509 179.293 176.870 -0.144 0.000 1.071 331 L CA 2.007 56.713 54.840 -0.224 0.000 0.749 331 L CB -1.109 40.920 42.059 -0.050 0.000 0.890 331 L HN 0.341 nan 8.230 nan 0.000 0.431 332 Y N 0.994 121.231 120.300 -0.106 0.000 2.069 332 Y HA -0.342 4.209 4.550 0.001 0.000 0.278 332 Y C 2.581 178.416 175.900 -0.108 0.000 1.175 332 Y CA 1.983 60.071 58.100 -0.021 0.000 1.134 332 Y CB -0.285 38.278 38.460 0.172 0.000 0.965 332 Y HN 0.150 nan 8.280 nan 0.000 0.498 333 E N -0.512 119.497 120.200 -0.319 0.000 2.058 333 E HA -0.254 4.096 4.350 0.002 0.000 0.194 333 E C 2.162 178.487 176.600 -0.460 0.000 0.997 333 E CA 1.750 57.883 56.400 -0.444 0.000 0.801 333 E CB -1.010 28.556 29.700 -0.222 0.000 0.746 333 E HN 0.658 nan 8.360 nan 0.000 0.450 334 Y N 0.810 120.733 120.300 -0.629 0.000 2.242 334 Y HA -0.112 4.440 4.550 0.003 0.000 0.291 334 Y C 2.285 177.977 175.900 -0.348 0.000 1.137 334 Y CA 1.189 58.955 58.100 -0.557 0.000 1.181 334 Y CB -0.405 37.520 38.460 -0.892 0.000 0.989 334 Y HN 0.031 nan 8.280 nan 0.000 0.527 335 A N 0.806 123.543 122.820 -0.138 0.000 1.898 335 A HA -0.195 4.126 4.320 0.002 0.000 0.216 335 A C 2.205 179.676 177.584 -0.189 0.000 1.181 335 A CA 1.747 53.704 52.037 -0.132 0.000 0.620 335 A CB -0.666 18.237 19.000 -0.162 0.000 0.819 335 A HN 0.585 nan 8.150 nan 0.000 0.442 336 R N -0.762 119.570 120.500 -0.280 0.000 2.280 336 R HA 0.053 4.394 4.340 0.002 0.000 0.207 336 R C 1.422 177.538 176.300 -0.306 0.000 1.043 336 R CA 1.176 57.103 56.100 -0.288 0.000 1.006 336 R CB -0.239 29.843 30.300 -0.364 0.000 0.885 336 R HN 0.407 nan 8.270 nan 0.000 0.467 337 R N -0.232 120.048 120.500 -0.367 0.000 2.334 337 R HA 0.169 4.510 4.340 0.002 0.000 0.212 337 R C -0.103 175.739 176.300 -0.763 0.000 0.897 337 R CA 0.125 55.920 56.100 -0.509 0.000 1.056 337 R CB 0.482 30.446 30.300 -0.560 0.000 1.046 337 R HN 0.287 nan 8.270 nan 0.000 0.513 338 H N -0.332 118.529 119.070 -0.348 0.000 2.380 338 H HA 0.195 4.754 4.556 0.005 0.000 0.231 338 H C -2.216 172.903 175.328 -0.349 0.000 1.415 338 H CA -1.914 53.851 56.048 -0.472 0.000 1.433 338 H CB 1.600 30.894 29.762 -0.780 0.000 1.544 338 H HN -0.067 nan 8.280 nan 0.000 0.503 339 P HA -0.078 nan 4.420 nan 0.000 0.233 339 P C 1.218 178.459 177.300 -0.098 0.000 1.167 339 P CA 0.740 63.754 63.100 -0.142 0.000 0.770 339 P CB 0.380 31.996 31.700 -0.139 0.000 0.837 340 D N -2.561 117.771 120.400 -0.113 0.000 2.355 340 D HA -0.094 4.547 4.640 0.002 0.000 0.218 340 D C 0.212 176.573 176.300 0.102 0.000 1.004 340 D CA 0.404 54.385 54.000 -0.032 0.000 0.880 340 D CB -0.464 40.317 40.800 -0.033 0.000 0.911 340 D HN 0.113 nan 8.370 nan 0.000 0.528 341 Y N 1.874 122.157 120.300 -0.029 0.000 2.335 341 Y HA 0.326 4.880 4.550 0.007 0.000 0.323 341 Y C 1.246 177.082 175.900 -0.106 0.000 1.224 341 Y CA -2.408 55.639 58.100 -0.089 0.000 1.241 341 Y CB 1.171 39.541 38.460 -0.150 0.000 1.235 341 Y HN -0.133 nan 8.280 nan 0.000 0.492 342 S N -0.135 115.597 115.700 0.052 0.000 2.592 342 S HA 0.232 4.702 4.470 0.002 0.000 0.271 342 S C 0.942 175.501 174.600 -0.069 0.000 1.326 342 S CA -0.709 57.479 58.200 -0.020 0.000 1.024 342 S CB 1.027 64.210 63.200 -0.027 0.000 0.921 342 S HN 0.415 nan 8.310 nan 0.000 0.527 343 V N 2.305 122.154 119.914 -0.108 0.000 2.287 343 V HA -0.151 3.970 4.120 0.002 0.000 0.248 343 V C 2.536 178.543 176.094 -0.144 0.000 1.053 343 V CA 1.914 64.091 62.300 -0.205 0.000 1.027 343 V CB -0.921 30.666 31.823 -0.392 0.000 0.646 343 V HN 0.835 nan 8.190 nan 0.000 0.447 344 V N 0.001 119.883 119.914 -0.053 0.000 2.392 344 V HA -0.234 3.887 4.120 0.002 0.000 0.249 344 V C 2.339 178.352 176.094 -0.134 0.000 1.059 344 V CA 2.475 64.745 62.300 -0.050 0.000 1.051 344 V CB -0.219 31.602 31.823 -0.003 0.000 0.658 344 V HN 0.535 nan 8.190 nan 0.000 0.455 345 L N -0.026 121.093 121.223 -0.172 0.000 2.012 345 L HA -0.131 4.210 4.340 0.002 0.000 0.210 345 L C 2.228 178.883 176.870 -0.358 0.000 1.073 345 L CA 2.256 56.928 54.840 -0.279 0.000 0.748 345 L CB -0.734 41.109 42.059 -0.359 0.000 0.891 345 L HN 0.347 nan 8.230 nan 0.000 0.431 346 L N -1.235 119.802 121.223 -0.310 0.000 2.083 346 L HA -0.241 4.100 4.340 0.002 0.000 0.209 346 L C 2.512 179.182 176.870 -0.334 0.000 1.083 346 L CA 1.228 55.847 54.840 -0.369 0.000 0.752 346 L CB -0.479 41.424 42.059 -0.261 0.000 0.899 346 L HN 0.330 nan 8.230 nan 0.000 0.433 347 L N -0.908 120.178 121.223 -0.228 0.000 2.093 347 L HA -0.184 4.157 4.340 0.002 0.000 0.208 347 L C 2.752 179.521 176.870 -0.167 0.000 1.085 347 L CA 1.146 55.890 54.840 -0.160 0.000 0.755 347 L CB -0.438 41.561 42.059 -0.101 0.000 0.904 347 L HN 0.192 nan 8.230 nan 0.000 0.435 348 R N -0.096 120.284 120.500 -0.200 0.000 2.120 348 R HA -0.112 4.229 4.340 0.002 0.000 0.234 348 R C 2.241 178.400 176.300 -0.235 0.000 1.123 348 R CA 1.061 57.050 56.100 -0.185 0.000 0.975 348 R CB -0.257 29.932 30.300 -0.185 0.000 0.866 348 R HN 0.342 nan 8.270 nan 0.000 0.446 349 L N -0.297 120.678 121.223 -0.413 0.000 2.044 349 L HA -0.056 4.285 4.340 0.002 0.000 0.205 349 L C 2.664 179.346 176.870 -0.314 0.000 1.075 349 L CA 1.075 55.520 54.840 -0.659 0.000 0.747 349 L CB -0.597 40.699 42.059 -1.272 0.000 0.903 349 L HN 0.188 nan 8.230 nan 0.000 0.435 350 A N 0.221 122.944 122.820 -0.160 0.000 1.978 350 A HA -0.254 4.067 4.320 0.002 0.000 0.220 350 A C 2.305 179.917 177.584 0.047 0.000 1.170 350 A CA 2.041 54.130 52.037 0.087 0.000 0.636 350 A CB -0.374 18.671 19.000 0.075 0.000 0.810 350 A HN 0.227 nan 8.150 nan 0.000 0.448 351 K N -0.448 119.945 120.400 -0.012 0.000 2.062 351 K HA -0.038 4.283 4.320 0.002 0.000 0.205 351 K C 1.953 178.566 176.600 0.021 0.000 1.051 351 K CA 2.149 58.435 56.287 -0.002 0.000 0.941 351 K CB -1.045 31.436 32.500 -0.031 0.000 0.719 351 K HN 0.340 nan 8.250 nan 0.000 0.440 352 T N 0.160 114.741 114.554 0.044 0.000 2.759 352 T HA -0.159 4.192 4.350 0.002 0.000 0.269 352 T C 1.371 176.169 174.700 0.164 0.000 1.042 352 T CA 1.576 63.746 62.100 0.117 0.000 1.140 352 T CB -0.505 68.489 68.868 0.210 0.000 0.864 352 T HN 0.292 nan 8.240 nan 0.000 0.455 353 Y N 1.752 122.068 120.300 0.026 0.000 2.242 353 Y HA -0.044 4.504 4.550 -0.002 0.000 0.291 353 Y C 2.450 178.226 175.900 -0.206 0.000 1.137 353 Y CA 1.429 59.457 58.100 -0.120 0.000 1.181 353 Y CB -0.236 37.948 38.460 -0.460 0.000 0.989 353 Y HN 0.315 nan 8.280 nan 0.000 0.527 354 E N -1.085 119.021 120.200 -0.155 0.000 2.072 354 E HA -0.170 4.181 4.350 0.002 0.000 0.191 354 E C 1.866 178.381 176.600 -0.141 0.000 0.985 354 E CA 1.761 58.044 56.400 -0.195 0.000 0.801 354 E CB -0.165 29.523 29.700 -0.020 0.000 0.750 354 E HN 0.413 nan 8.360 nan 0.000 0.452 355 T N 0.254 114.768 114.554 -0.066 0.000 2.708 355 T HA -0.138 4.213 4.350 0.002 0.000 0.266 355 T C 1.854 176.518 174.700 -0.060 0.000 1.037 355 T CA 1.817 63.896 62.100 -0.034 0.000 1.146 355 T CB -0.491 68.374 68.868 -0.005 0.000 0.865 355 T HN 0.256 nan 8.240 nan 0.000 0.435 356 T N 2.544 117.043 114.554 -0.092 0.000 2.674 356 T HA 0.022 4.373 4.350 0.002 0.000 0.265 356 T C 1.988 176.596 174.700 -0.153 0.000 1.039 356 T CA 0.901 62.945 62.100 -0.093 0.000 1.150 356 T CB -0.536 68.287 68.868 -0.076 0.000 0.864 356 T HN 0.228 nan 8.240 nan 0.000 0.427 357 L N 0.913 121.915 121.223 -0.368 0.000 2.129 357 L HA -0.132 4.209 4.340 0.002 0.000 0.212 357 L C 2.856 179.655 176.870 -0.117 0.000 1.087 357 L CA 1.240 55.831 54.840 -0.416 0.000 0.757 357 L CB -0.545 40.934 42.059 -0.967 0.000 0.896 357 L HN 0.272 nan 8.230 nan 0.000 0.434 358 E N 0.372 120.540 120.200 -0.053 0.000 2.106 358 E HA -0.185 4.166 4.350 0.002 0.000 0.192 358 E C 2.452 179.076 176.600 0.039 0.000 0.984 358 E CA 1.656 58.092 56.400 0.060 0.000 0.806 358 E CB -0.026 29.708 29.700 0.058 0.000 0.750 358 E HN 0.526 nan 8.360 nan 0.000 0.458 359 K N 0.488 120.896 120.400 0.014 0.000 2.076 359 K HA -0.022 4.299 4.320 0.002 0.000 0.204 359 K C 2.320 178.940 176.600 0.034 0.000 1.051 359 K CA 1.171 57.471 56.287 0.021 0.000 0.949 359 K CB -1.125 31.382 32.500 0.012 0.000 0.726 359 K HN 0.152 nan 8.250 nan 0.000 0.443 360 c N -0.296 118.333 118.600 0.049 0.000 2.475 360 c HA -0.014 4.557 4.570 0.002 0.000 0.279 360 c C 2.758 176.913 174.090 0.108 0.000 1.322 360 c CA 0.441 56.825 56.329 0.091 0.000 1.734 360 c CB -0.800 41.831 42.510 0.202 0.000 2.005 360 c HN 0.749 nan 8.230 nan 0.000 0.495 361 c N 1.095 119.765 118.600 0.118 0.000 2.430 361 c HA 0.130 4.701 4.570 0.002 0.000 0.288 361 c C 1.965 176.101 174.090 0.076 0.000 1.448 361 c CA 0.934 57.336 56.329 0.121 0.000 1.784 361 c CB -1.829 40.765 42.510 0.141 0.000 1.776 361 c HN 0.672 nan 8.230 nan 0.000 0.547 362 A N -0.275 122.579 122.820 0.057 0.000 3.041 362 A HA 0.748 5.069 4.320 0.002 0.000 0.307 362 A C 0.254 177.853 177.584 0.025 0.000 1.116 362 A CA 0.379 52.438 52.037 0.036 0.000 1.001 362 A CB -0.290 18.729 19.000 0.032 0.000 1.112 362 A HN 0.457 nan 8.150 nan 0.000 0.556 363 A N -0.946 121.888 122.820 0.023 0.000 2.532 363 A HA 0.823 5.144 4.320 0.002 0.000 0.290 363 A C 1.127 178.711 177.584 0.000 0.000 1.143 363 A CA 0.046 52.088 52.037 0.008 0.000 0.728 363 A CB 0.175 19.177 19.000 0.004 0.000 1.317 363 A HN 1.352 nan 8.150 nan 0.000 0.414 364 A N 0.185 123.001 122.820 -0.007 0.000 1.862 364 A HA -0.095 4.226 4.320 0.002 0.000 0.217 364 A C 0.861 178.434 177.584 -0.017 0.000 1.251 364 A CA 2.572 54.602 52.037 -0.011 0.000 0.673 364 A CB -0.732 18.260 19.000 -0.014 0.000 0.843 364 A HN 0.936 nan 8.150 nan 0.000 0.458 365 D N -1.362 119.019 120.400 -0.031 0.000 2.477 365 D HA 0.452 5.093 4.640 0.002 0.000 0.239 365 D C -1.848 174.398 176.300 -0.090 0.000 1.102 365 D CA -2.090 51.883 54.000 -0.044 0.000 0.901 365 D CB 1.049 41.824 40.800 -0.041 0.000 1.026 365 D HN -0.011 nan 8.370 nan 0.000 0.515 366 P HA -0.249 nan 4.420 nan 0.000 0.209 366 P C 1.030 177.963 177.300 -0.612 0.000 1.167 366 P CA 1.428 64.432 63.100 -0.159 0.000 0.941 366 P CB -0.038 31.676 31.700 0.023 0.000 0.787 367 H N -0.686 117.956 119.070 -0.714 0.000 2.450 367 H HA -0.242 4.316 4.556 0.004 0.000 0.291 367 H C 1.823 176.754 175.328 -0.661 0.000 1.128 367 H CA 2.793 58.307 56.048 -0.890 0.000 1.203 367 H CB -0.397 29.177 29.762 -0.313 0.000 1.356 367 H HN 0.240 nan 8.280 nan 0.000 0.503 368 E N -0.725 119.257 120.200 -0.363 0.000 2.340 368 E HA -0.003 4.348 4.350 0.002 0.000 0.194 368 E C 2.382 178.846 176.600 -0.227 0.000 0.996 368 E CA 0.575 56.837 56.400 -0.230 0.000 0.869 368 E CB -1.137 28.512 29.700 -0.086 0.000 0.835 368 E HN 0.652 nan 8.360 nan 0.000 0.493 369 c N 0.460 118.909 118.600 -0.253 0.000 2.457 369 c HA 0.025 4.596 4.570 0.002 0.000 0.278 369 c C 2.267 176.321 174.090 -0.060 0.000 1.309 369 c CA 1.409 57.663 56.329 -0.125 0.000 1.735 369 c CB -1.015 41.449 42.510 -0.077 0.000 1.992 369 c HN 0.817 nan 8.230 nan 0.000 0.493 370 Y N 0.066 120.314 120.300 -0.086 0.000 2.507 370 Y HA 0.650 5.199 4.550 -0.002 0.000 0.254 370 Y C 1.698 177.525 175.900 -0.123 0.000 1.171 370 Y CA -0.285 57.763 58.100 -0.087 0.000 1.238 370 Y CB -1.467 36.948 38.460 -0.075 0.000 1.148 370 Y HN 0.129 nan 8.280 nan 0.000 0.525 371 A N 1.512 124.277 122.820 -0.093 0.000 2.019 371 A HA -0.012 4.309 4.320 0.002 0.000 0.219 371 A C 2.021 179.570 177.584 -0.058 0.000 1.164 371 A CA 1.894 53.842 52.037 -0.149 0.000 0.644 371 A CB -0.776 18.056 19.000 -0.281 0.000 0.805 371 A HN 0.460 nan 8.150 nan 0.000 0.449 372 K N -0.465 119.921 120.400 -0.024 0.000 2.498 372 K HA 0.583 4.904 4.320 0.002 0.000 0.207 372 K C 1.244 177.839 176.600 -0.009 0.000 1.033 372 K CA 0.497 56.774 56.287 -0.017 0.000 1.138 372 K CB -0.947 31.542 32.500 -0.018 0.000 0.860 372 K HN 0.363 nan 8.250 nan 0.000 0.490 373 V N -0.169 119.757 119.914 0.019 0.000 2.469 373 V HA -0.149 3.972 4.120 0.002 0.000 0.251 373 V C 1.788 177.679 176.094 -0.338 0.000 1.064 373 V CA 1.857 64.122 62.300 -0.058 0.000 1.066 373 V CB -0.721 31.151 31.823 0.080 0.000 0.667 373 V HN 0.656 nan 8.190 nan 0.000 0.461 374 F N 0.490 120.135 119.950 -0.508 0.000 2.451 374 F HA -0.057 4.470 4.527 -0.001 0.000 0.299 374 F C 2.245 177.863 175.800 -0.304 0.000 1.101 374 F CA 1.135 58.788 58.000 -0.578 0.000 1.436 374 F CB -0.624 38.306 39.000 -0.117 0.000 1.074 374 F HN 0.329 nan 8.300 nan 0.000 0.553 375 D N -0.322 120.064 120.400 -0.023 0.000 2.317 375 D HA -0.094 4.547 4.640 0.002 0.000 0.211 375 D C 1.868 178.160 176.300 -0.013 0.000 0.966 375 D CA 0.590 54.597 54.000 0.012 0.000 0.876 375 D CB 0.017 40.827 40.800 0.016 0.000 0.927 375 D HN 0.439 nan 8.370 nan 0.000 0.519 376 E N -0.091 120.053 120.200 -0.093 0.000 2.158 376 E HA -0.079 4.272 4.350 0.002 0.000 0.191 376 E C 1.711 178.384 176.600 0.122 0.000 0.982 376 E CA 0.293 56.685 56.400 -0.013 0.000 0.823 376 E CB 0.053 29.735 29.700 -0.029 0.000 0.766 376 E HN 0.208 nan 8.360 nan 0.000 0.468 377 F N 1.922 121.862 119.950 -0.016 0.000 2.216 377 F HA -0.142 4.382 4.527 -0.005 0.000 0.300 377 F C 2.232 177.981 175.800 -0.086 0.000 1.085 377 F CA 0.706 58.651 58.000 -0.093 0.000 1.326 377 F CB -0.896 38.016 39.000 -0.148 0.000 1.027 377 F HN -0.047 nan 8.300 nan 0.000 0.497 378 K N 0.953 121.447 120.400 0.157 0.000 2.015 378 K HA -0.224 4.097 4.320 0.002 0.000 0.220 378 K C -0.565 176.052 176.600 0.028 0.000 1.055 378 K CA 2.439 58.774 56.287 0.081 0.000 0.951 378 K CB -1.449 31.094 32.500 0.071 0.000 0.725 378 K HN 0.139 nan 8.250 nan 0.000 0.449 379 P HA -0.141 nan 4.420 nan 0.000 0.220 379 P C 1.453 178.735 177.300 -0.029 0.000 1.148 379 P CA 0.950 64.050 63.100 0.000 0.000 0.803 379 P CB 0.041 31.745 31.700 0.008 0.000 0.782 380 L N -0.448 120.753 121.223 -0.037 0.000 2.093 380 L HA -0.090 4.251 4.340 0.002 0.000 0.208 380 L C 2.728 179.492 176.870 -0.176 0.000 1.085 380 L CA 1.488 56.271 54.840 -0.095 0.000 0.755 380 L CB -1.495 40.505 42.059 -0.099 0.000 0.904 380 L HN -0.161 nan 8.230 nan 0.000 0.435 381 V N -1.047 118.749 119.914 -0.196 0.000 2.488 381 V HA -0.167 3.954 4.120 0.002 0.000 0.246 381 V C 2.276 178.268 176.094 -0.170 0.000 1.046 381 V CA 1.149 63.270 62.300 -0.300 0.000 1.053 381 V CB -0.350 31.296 31.823 -0.295 0.000 0.679 381 V HN 0.457 nan 8.190 nan 0.000 0.458 382 E N -0.365 119.785 120.200 -0.084 0.000 2.208 382 E HA -0.174 4.177 4.350 0.002 0.000 0.193 382 E C 2.194 178.772 176.600 -0.036 0.000 0.988 382 E CA 0.568 56.944 56.400 -0.040 0.000 0.828 382 E CB -0.017 29.676 29.700 -0.010 0.000 0.763 382 E HN 0.541 nan 8.360 nan 0.000 0.478 383 E N 1.292 121.464 120.200 -0.047 0.000 2.012 383 E HA -0.159 4.192 4.350 0.002 0.000 0.197 383 E C -0.604 175.978 176.600 -0.029 0.000 1.007 383 E CA 1.532 57.913 56.400 -0.032 0.000 0.816 383 E CB -0.875 28.803 29.700 -0.036 0.000 0.762 383 E HN 0.164 nan 8.360 nan 0.000 0.451 384 P HA -0.158 nan 4.420 nan 0.000 0.215 384 P C 1.564 178.851 177.300 -0.023 0.000 1.153 384 P CA 1.491 64.566 63.100 -0.041 0.000 0.853 384 P CB -0.209 31.444 31.700 -0.079 0.000 0.788 385 Q N -0.475 119.306 119.800 -0.030 0.000 2.077 385 Q HA -0.173 4.168 4.340 0.002 0.000 0.206 385 Q C 2.201 178.207 176.000 0.010 0.000 0.989 385 Q CA 1.638 57.440 55.803 -0.002 0.000 0.853 385 Q CB -0.384 28.356 28.738 0.004 0.000 0.907 385 Q HN 0.277 nan 8.270 nan 0.000 0.418 386 N N 0.033 118.737 118.700 0.007 0.000 2.309 386 N HA -0.087 4.654 4.740 0.002 0.000 0.182 386 N C 1.723 177.247 175.510 0.024 0.000 1.018 386 N CA 0.742 53.802 53.050 0.016 0.000 0.876 386 N CB -0.081 38.414 38.487 0.014 0.000 0.972 386 N HN 0.246 nan 8.380 nan 0.000 0.434 387 L N 0.687 121.924 121.223 0.023 0.000 2.017 387 L HA -0.113 4.228 4.340 0.002 0.000 0.208 387 L C 2.038 178.935 176.870 0.045 0.000 1.073 387 L CA 0.774 55.637 54.840 0.039 0.000 0.745 387 L CB -0.320 41.763 42.059 0.040 0.000 0.894 387 L HN 0.087 nan 8.230 nan 0.000 0.432 388 I N 0.742 121.330 120.570 0.030 0.000 2.099 388 I HA -0.336 3.835 4.170 0.002 0.000 0.239 388 I C 3.136 179.266 176.117 0.022 0.000 1.066 388 I CA 2.131 63.444 61.300 0.022 0.000 1.324 388 I CB -1.605 36.402 38.000 0.011 0.000 1.037 388 I HN 0.221 nan 8.210 nan 0.000 0.401 389 K N 0.958 121.372 120.400 0.024 0.000 2.001 389 K HA -0.245 4.076 4.320 0.002 0.000 0.214 389 K C 2.018 178.638 176.600 0.034 0.000 1.050 389 K CA 2.061 58.364 56.287 0.025 0.000 0.934 389 K CB -1.394 31.121 32.500 0.025 0.000 0.718 389 K HN 0.561 nan 8.250 nan 0.000 0.443 390 Q N 0.118 119.944 119.800 0.043 0.000 2.030 390 Q HA -0.143 4.198 4.340 0.002 0.000 0.204 390 Q C 2.319 178.369 176.000 0.083 0.000 0.986 390 Q CA 1.559 57.395 55.803 0.055 0.000 0.843 390 Q CB -0.164 28.606 28.738 0.053 0.000 0.904 390 Q HN 0.581 nan 8.270 nan 0.000 0.420 391 N N 0.095 118.857 118.700 0.103 0.000 2.188 391 N HA -0.110 4.631 4.740 0.002 0.000 0.184 391 N C 1.756 177.311 175.510 0.076 0.000 1.018 391 N CA 1.002 54.157 53.050 0.175 0.000 0.858 391 N CB -0.194 38.427 38.487 0.223 0.000 0.989 391 N HN 0.275 nan 8.380 nan 0.000 0.426 392 c N 1.181 119.787 118.600 0.010 0.000 2.450 392 c HA 0.026 4.597 4.570 0.002 0.000 0.279 392 c C 2.488 176.591 174.090 0.022 0.000 1.335 392 c CA 0.138 56.441 56.329 -0.044 0.000 1.749 392 c CB -0.653 41.827 42.510 -0.051 0.000 1.963 392 c HN 0.477 nan 8.230 nan 0.000 0.501 393 E N 0.448 120.668 120.200 0.034 0.000 2.031 393 E HA -0.222 4.129 4.350 0.002 0.000 0.193 393 E C 2.018 178.640 176.600 0.036 0.000 0.994 393 E CA 0.998 57.420 56.400 0.037 0.000 0.800 393 E CB -0.375 29.347 29.700 0.036 0.000 0.752 393 E HN 0.426 nan 8.360 nan 0.000 0.447 394 L N 0.931 122.192 121.223 0.064 0.000 2.081 394 L HA -0.188 4.152 4.340 0.002 0.000 0.212 394 L C 2.091 178.974 176.870 0.022 0.000 1.080 394 L CA 1.584 56.484 54.840 0.100 0.000 0.754 394 L CB -0.668 41.529 42.059 0.231 0.000 0.893 394 L HN 0.100 nan 8.230 nan 0.000 0.433 395 F N 0.097 119.827 119.950 -0.366 0.000 2.234 395 F HA -0.140 4.387 4.527 0.001 0.000 0.299 395 F C 2.317 177.946 175.800 -0.286 0.000 1.087 395 F CA 1.622 59.208 58.000 -0.689 0.000 1.340 395 F CB -0.140 38.200 39.000 -1.100 0.000 1.031 395 F HN 0.221 nan 8.300 nan 0.000 0.500 396 E N -0.189 119.950 120.200 -0.102 0.000 2.107 396 E HA -0.207 4.144 4.350 0.002 0.000 0.191 396 E C 2.114 178.624 176.600 -0.151 0.000 0.982 396 E CA 1.162 57.494 56.400 -0.113 0.000 0.809 396 E CB -0.048 29.660 29.700 0.014 0.000 0.756 396 E HN 0.606 nan 8.360 nan 0.000 0.459 397 Q N 0.198 119.939 119.800 -0.098 0.000 1.993 397 Q HA -0.073 4.268 4.340 0.002 0.000 0.202 397 Q C 1.104 177.051 176.000 -0.088 0.000 0.984 397 Q CA 0.949 56.715 55.803 -0.063 0.000 0.837 397 Q CB -0.025 28.702 28.738 -0.019 0.000 0.902 397 Q HN 0.156 nan 8.270 nan 0.000 0.423 398 L N -0.875 120.290 121.223 -0.097 0.000 2.567 398 L HA 0.417 4.758 4.340 0.002 0.000 0.238 398 L C 0.772 177.506 176.870 -0.227 0.000 1.168 398 L CA -0.634 54.157 54.840 -0.081 0.000 0.817 398 L CB 0.115 42.185 42.059 0.018 0.000 1.409 398 L HN 0.110 nan 8.230 nan 0.000 0.502 399 G N -1.476 107.228 108.800 -0.159 0.000 2.753 399 G HA2 0.223 4.184 3.960 0.002 0.000 0.285 399 G HA3 0.223 4.184 3.960 0.002 0.000 0.285 399 G C 0.334 175.108 174.900 -0.210 0.000 1.344 399 G CA -0.313 44.627 45.100 -0.267 0.000 1.050 399 G HN 0.747 nan 8.290 nan 0.000 0.532 400 E N -1.461 118.673 120.200 -0.111 0.000 2.130 400 E HA -0.257 4.094 4.350 0.002 0.000 0.196 400 E C 1.680 178.453 176.600 0.288 0.000 0.998 400 E CA 1.419 57.959 56.400 0.232 0.000 0.806 400 E CB -0.181 29.694 29.700 0.291 0.000 0.738 400 E HN 0.521 nan 8.360 nan 0.000 0.459 401 Y N 1.113 121.470 120.300 0.094 0.000 2.114 401 Y HA -0.163 4.389 4.550 0.003 0.000 0.284 401 Y C 2.516 178.468 175.900 0.087 0.000 1.119 401 Y CA 1.981 60.133 58.100 0.087 0.000 1.108 401 Y CB -0.507 37.987 38.460 0.056 0.000 0.995 401 Y HN -0.189 nan 8.280 nan 0.000 0.491 402 K N -0.005 120.351 120.400 -0.073 0.000 2.209 402 K HA -0.163 4.158 4.320 0.002 0.000 0.204 402 K C 1.893 178.463 176.600 -0.050 0.000 1.048 402 K CA 1.234 57.432 56.287 -0.148 0.000 0.940 402 K CB -1.279 31.217 32.500 -0.006 0.000 0.729 402 K HN 0.551 nan 8.250 nan 0.000 0.451 403 F N 1.898 121.785 119.950 -0.106 0.000 2.206 403 F HA -0.079 4.448 4.527 0.000 0.000 0.298 403 F C 2.169 177.959 175.800 -0.016 0.000 1.090 403 F CA 1.393 59.376 58.000 -0.028 0.000 1.323 403 F CB -0.256 38.785 39.000 0.067 0.000 1.028 403 F HN 0.140 nan 8.300 nan 0.000 0.492 404 Q N -0.088 119.659 119.800 -0.088 0.000 2.167 404 Q HA -0.178 4.163 4.340 0.002 0.000 0.202 404 Q C 1.679 177.545 176.000 -0.223 0.000 0.970 404 Q CA 1.405 57.107 55.803 -0.168 0.000 0.855 404 Q CB -0.250 28.465 28.738 -0.038 0.000 0.911 404 Q HN 0.397 nan 8.270 nan 0.000 0.438 405 N N 0.413 118.951 118.700 -0.270 0.000 2.331 405 N HA -0.063 4.678 4.740 0.002 0.000 0.180 405 N C 1.466 176.862 175.510 -0.190 0.000 1.019 405 N CA 1.116 54.026 53.050 -0.234 0.000 0.881 405 N CB -0.208 38.106 38.487 -0.289 0.000 0.972 405 N HN 0.216 nan 8.380 nan 0.000 0.435 406 A N 1.236 123.927 122.820 -0.215 0.000 1.898 406 A HA 0.001 4.322 4.320 0.002 0.000 0.216 406 A C 2.270 179.686 177.584 -0.280 0.000 1.181 406 A CA 0.781 52.694 52.037 -0.207 0.000 0.620 406 A CB -0.638 18.259 19.000 -0.172 0.000 0.819 406 A HN 0.178 nan 8.150 nan 0.000 0.442 407 L N -1.056 119.953 121.223 -0.357 0.000 2.093 407 L HA -0.153 4.188 4.340 0.002 0.000 0.208 407 L C 2.504 179.281 176.870 -0.154 0.000 1.085 407 L CA 0.575 55.231 54.840 -0.307 0.000 0.755 407 L CB -0.618 41.335 42.059 -0.176 0.000 0.904 407 L HN 0.294 nan 8.230 nan 0.000 0.435 408 L N -0.275 120.884 121.223 -0.106 0.000 1.970 408 L HA -0.206 4.135 4.340 0.002 0.000 0.212 408 L C 2.521 179.352 176.870 -0.066 0.000 1.071 408 L CA 1.663 56.477 54.840 -0.044 0.000 0.751 408 L CB -0.782 41.243 42.059 -0.056 0.000 0.889 408 L HN -0.049 nan 8.230 nan 0.000 0.432 409 V N -0.544 119.306 119.914 -0.107 0.000 2.255 409 V HA -0.347 3.774 4.120 0.002 0.000 0.247 409 V C 2.722 178.731 176.094 -0.142 0.000 1.051 409 V CA 2.102 64.341 62.300 -0.101 0.000 1.018 409 V CB -0.642 31.120 31.823 -0.101 0.000 0.641 409 V HN 0.465 nan 8.190 nan 0.000 0.445 410 R N -1.026 119.323 120.500 -0.250 0.000 2.094 410 R HA -0.220 4.121 4.340 0.002 0.000 0.239 410 R C 2.296 178.378 176.300 -0.364 0.000 1.137 410 R CA 2.331 58.202 56.100 -0.380 0.000 0.943 410 R CB -0.339 29.579 30.300 -0.637 0.000 0.850 410 R HN 0.577 nan 8.270 nan 0.000 0.433 411 Y N -0.570 119.688 120.300 -0.069 0.000 2.475 411 Y HA 0.035 4.585 4.550 -0.001 0.000 0.289 411 Y C 2.404 178.263 175.900 -0.067 0.000 1.121 411 Y CA 1.018 59.081 58.100 -0.061 0.000 1.257 411 Y CB -0.373 38.045 38.460 -0.069 0.000 1.026 411 Y HN 0.064 nan 8.280 nan 0.000 0.555 412 T N 0.001 114.581 114.554 0.043 0.000 2.788 412 T HA -0.153 4.198 4.350 0.002 0.000 0.268 412 T C 1.821 176.477 174.700 -0.072 0.000 1.044 412 T CA 1.394 63.485 62.100 -0.016 0.000 1.139 412 T CB -0.089 68.765 68.868 -0.023 0.000 0.867 412 T HN 0.309 nan 8.240 nan 0.000 0.454 413 K N 0.763 121.126 120.400 -0.062 0.000 2.057 413 K HA -0.016 4.305 4.320 0.002 0.000 0.206 413 K C 2.441 179.008 176.600 -0.055 0.000 1.050 413 K CA 0.774 57.017 56.287 -0.072 0.000 0.935 413 K CB 0.009 32.474 32.500 -0.059 0.000 0.715 413 K HN 0.179 nan 8.250 nan 0.000 0.439 414 K N 0.621 121.017 120.400 -0.007 0.000 2.026 414 K HA -0.085 4.236 4.320 0.002 0.000 0.208 414 K C 1.349 177.953 176.600 0.007 0.000 1.048 414 K CA 1.317 57.622 56.287 0.030 0.000 0.929 414 K CB -0.167 32.407 32.500 0.122 0.000 0.713 414 K HN 0.157 nan 8.250 nan 0.000 0.439 415 V N -1.587 118.324 119.914 -0.005 0.000 2.383 415 V HA 0.246 4.367 4.120 0.002 0.000 0.261 415 V C -2.561 173.472 176.094 -0.103 0.000 0.987 415 V CA -1.612 60.669 62.300 -0.032 0.000 0.853 415 V CB 1.483 33.315 31.823 0.016 0.000 1.095 415 V HN -0.138 nan 8.190 nan 0.000 0.461 416 P HA -0.097 nan 4.420 nan 0.000 0.219 416 P C 1.450 178.593 177.300 -0.260 0.000 1.146 416 P CA 1.314 64.126 63.100 -0.479 0.000 0.808 416 P CB 0.267 31.133 31.700 -1.390 0.000 0.779 417 Q N -0.780 118.952 119.800 -0.112 0.000 2.170 417 Q HA -0.058 4.283 4.340 0.002 0.000 0.203 417 Q C 0.667 176.696 176.000 0.047 0.000 0.976 417 Q CA 0.644 56.474 55.803 0.045 0.000 0.858 417 Q CB -1.282 27.509 28.738 0.088 0.000 0.907 417 Q HN 0.122 nan 8.270 nan 0.000 0.433 418 V N 1.472 121.402 119.914 0.027 0.000 2.763 418 V HA -0.033 4.088 4.120 0.002 0.000 0.306 418 V C 0.603 176.715 176.094 0.029 0.000 1.059 418 V CA -0.121 62.205 62.300 0.042 0.000 1.138 418 V CB 1.047 32.888 31.823 0.030 0.000 0.940 418 V HN 0.290 nan 8.190 nan 0.000 0.489 419 S N 3.463 119.183 115.700 0.035 0.000 2.560 419 S HA 0.013 4.484 4.470 0.002 0.000 0.284 419 S C 1.365 175.974 174.600 0.016 0.000 1.327 419 S CA 0.293 58.508 58.200 0.024 0.000 1.055 419 S CB 0.984 64.197 63.200 0.022 0.000 0.868 419 S HN 0.852 nan 8.310 nan 0.000 0.506 420 T N 5.564 120.125 114.554 0.012 0.000 2.652 420 T HA -0.027 4.324 4.350 0.002 0.000 0.267 420 T C -0.873 173.832 174.700 0.009 0.000 1.039 420 T CA 1.691 63.797 62.100 0.009 0.000 1.153 420 T CB -1.191 67.678 68.868 0.002 0.000 0.863 420 T HN 0.720 nan 8.240 nan 0.000 0.428 421 P HA -0.048 nan 4.420 nan 0.000 0.219 421 P C 1.245 178.550 177.300 0.009 0.000 1.146 421 P CA 1.211 64.317 63.100 0.009 0.000 0.808 421 P CB -0.267 31.436 31.700 0.006 0.000 0.779 422 T N 0.085 114.643 114.554 0.007 0.000 2.896 422 T HA 0.056 4.407 4.350 0.002 0.000 0.263 422 T C 1.926 176.621 174.700 -0.009 0.000 1.050 422 T CA 0.623 62.724 62.100 0.001 0.000 1.140 422 T CB -0.575 68.297 68.868 0.008 0.000 0.877 422 T HN 0.056 nan 8.240 nan 0.000 0.457 423 L N 0.818 122.040 121.223 -0.002 0.000 2.093 423 L HA -0.054 4.287 4.340 0.002 0.000 0.208 423 L C 2.534 179.405 176.870 0.002 0.000 1.085 423 L CA 0.797 55.636 54.840 -0.002 0.000 0.755 423 L CB -0.486 41.580 42.059 0.012 0.000 0.904 423 L HN 0.156 nan 8.230 nan 0.000 0.435 424 V N -0.491 119.429 119.914 0.009 0.000 2.379 424 V HA -0.237 3.884 4.120 0.002 0.000 0.245 424 V C 2.409 178.511 176.094 0.014 0.000 1.044 424 V CA 1.681 63.992 62.300 0.018 0.000 1.036 424 V CB -0.300 31.541 31.823 0.030 0.000 0.664 424 V HN 0.386 nan 8.190 nan 0.000 0.453 425 E N 0.539 120.743 120.200 0.007 0.000 2.038 425 E HA -0.187 4.164 4.350 0.002 0.000 0.195 425 E C 2.075 178.667 176.600 -0.014 0.000 1.000 425 E CA 1.842 58.244 56.400 0.003 0.000 0.803 425 E CB -0.340 29.360 29.700 -0.000 0.000 0.750 425 E HN 0.346 nan 8.360 nan 0.000 0.448 426 V N 0.227 120.118 119.914 -0.038 0.000 2.295 426 V HA -0.266 3.855 4.120 0.002 0.000 0.246 426 V C 2.349 178.402 176.094 -0.070 0.000 1.049 426 V CA 2.045 64.298 62.300 -0.078 0.000 1.024 426 V CB -0.753 30.990 31.823 -0.133 0.000 0.648 426 V HN 0.243 nan 8.190 nan 0.000 0.447 427 S N -0.340 115.337 115.700 -0.039 0.000 2.382 427 S HA -0.182 4.289 4.470 0.002 0.000 0.228 427 S C 2.054 176.651 174.600 -0.004 0.000 1.027 427 S CA 1.414 59.606 58.200 -0.014 0.000 0.991 427 S CB -0.326 62.879 63.200 0.008 0.000 0.823 427 S HN 0.561 nan 8.310 nan 0.000 0.469 428 R N 1.478 121.985 120.500 0.013 0.000 2.092 428 R HA 0.062 4.403 4.340 0.002 0.000 0.231 428 R C 1.842 178.164 176.300 0.037 0.000 1.119 428 R CA 1.143 57.269 56.100 0.044 0.000 0.970 428 R CB -0.381 29.951 30.300 0.054 0.000 0.864 428 R HN 0.381 nan 8.270 nan 0.000 0.440 429 N N 0.815 119.518 118.700 0.005 0.000 2.188 429 N HA -0.116 4.625 4.740 0.002 0.000 0.184 429 N C 1.733 177.232 175.510 -0.018 0.000 1.018 429 N CA 0.872 53.913 53.050 -0.014 0.000 0.858 429 N CB -0.111 38.360 38.487 -0.027 0.000 0.989 429 N HN 0.053 nan 8.380 nan 0.000 0.426 430 L N 1.191 122.407 121.223 -0.012 0.000 2.046 430 L HA -0.026 4.315 4.340 0.002 0.000 0.208 430 L C 2.372 179.306 176.870 0.105 0.000 1.077 430 L CA 1.435 56.283 54.840 0.013 0.000 0.747 430 L CB -1.371 40.683 42.059 -0.009 0.000 0.896 430 L HN 0.151 nan 8.230 nan 0.000 0.432 431 G N -1.240 107.641 108.800 0.135 0.000 2.422 431 G HA2 -0.249 3.712 3.960 0.002 0.000 0.218 431 G HA3 -0.249 3.712 3.960 0.002 0.000 0.218 431 G C 1.760 176.789 174.900 0.215 0.000 1.146 431 G CA 0.613 45.903 45.100 0.317 0.000 0.769 431 G HN 0.340 nan 8.290 nan 0.000 0.547 432 K N -0.017 120.426 120.400 0.072 0.000 2.002 432 K HA -0.027 4.294 4.320 0.002 0.000 0.209 432 K C 2.575 179.082 176.600 -0.155 0.000 1.048 432 K CA 1.177 57.448 56.287 -0.027 0.000 0.930 432 K CB -0.452 32.004 32.500 -0.073 0.000 0.714 432 K HN 0.192 nan 8.250 nan 0.000 0.438 433 V N 1.185 120.986 119.914 -0.189 0.000 2.453 433 V HA -0.237 3.884 4.120 0.002 0.000 0.252 433 V C 2.372 178.321 176.094 -0.241 0.000 1.068 433 V CA 2.173 64.310 62.300 -0.270 0.000 1.070 433 V CB -1.126 30.620 31.823 -0.128 0.000 0.664 433 V HN 0.528 nan 8.190 nan 0.000 0.461 434 G N 0.391 109.078 108.800 -0.189 0.000 2.421 434 G HA2 -0.270 3.691 3.960 0.002 0.000 0.216 434 G HA3 -0.270 3.691 3.960 0.002 0.000 0.216 434 G C 1.800 176.089 174.900 -1.019 0.000 1.171 434 G CA 1.311 46.112 45.100 -0.498 0.000 0.775 434 G HN 0.673 nan 8.290 nan 0.000 0.543 435 S N -0.101 115.167 115.700 -0.720 0.000 2.489 435 S HA 0.110 4.581 4.470 0.002 0.000 0.228 435 S C 1.981 176.425 174.600 -0.259 0.000 0.995 435 S CA 1.401 59.315 58.200 -0.477 0.000 0.934 435 S CB 0.110 63.384 63.200 0.123 0.000 0.771 435 S HN 0.275 nan 8.310 nan 0.000 0.522 436 K N 1.036 121.274 120.400 -0.271 0.000 2.044 436 K HA 0.217 4.538 4.320 0.002 0.000 0.204 436 K C 1.905 178.355 176.600 -0.250 0.000 1.049 436 K CA 1.490 57.658 56.287 -0.198 0.000 0.945 436 K CB -0.711 31.598 32.500 -0.318 0.000 0.724 436 K HN 0.484 nan 8.250 nan 0.000 0.440 437 c N -0.699 117.706 118.600 -0.325 0.000 2.551 437 c HA 0.135 4.706 4.570 0.002 0.000 0.277 437 c C 2.376 176.264 174.090 -0.337 0.000 1.349 437 c CA -0.257 55.815 56.329 -0.428 0.000 1.750 437 c CB -0.678 41.690 42.510 -0.238 0.000 2.058 437 c HN 0.554 nan 8.230 nan 0.000 0.518 438 c N 1.129 119.532 118.600 -0.328 0.000 2.466 438 c HA -0.038 4.533 4.570 0.002 0.000 0.283 438 c C 2.310 176.349 174.090 -0.084 0.000 1.472 438 c CA 0.918 57.103 56.329 -0.240 0.000 1.765 438 c CB -1.457 40.805 42.510 -0.414 0.000 1.724 438 c HN 0.591 nan 8.230 nan 0.000 0.560 439 K N -0.390 119.996 120.400 -0.023 0.000 2.404 439 K HA 0.090 4.411 4.320 0.002 0.000 0.194 439 K C 0.245 176.972 176.600 0.212 0.000 1.023 439 K CA 0.196 56.544 56.287 0.102 0.000 1.094 439 K CB 0.023 32.592 32.500 0.115 0.000 0.841 439 K HN 0.725 nan 8.250 nan 0.000 0.523 440 H N 1.092 120.150 119.070 -0.020 0.000 2.488 440 H HA 0.187 4.744 4.556 0.002 0.000 0.347 440 H C -2.187 173.135 175.328 -0.009 0.000 1.174 440 H CA -2.303 53.740 56.048 -0.009 0.000 1.307 440 H CB 1.065 30.824 29.762 -0.005 0.000 1.517 440 H HN -0.011 nan 8.280 nan 0.000 0.554 441 P HA 0.014 nan 4.420 nan 0.000 0.277 441 P C 0.483 177.820 177.300 0.062 0.000 1.240 441 P CA -0.233 62.903 63.100 0.059 0.000 0.798 441 P CB 1.481 33.195 31.700 0.025 0.000 0.979 442 E N 2.014 122.239 120.200 0.043 0.000 2.200 442 E HA -0.324 4.027 4.350 0.002 0.000 0.211 442 E C 1.826 178.451 176.600 0.042 0.000 1.048 442 E CA 2.270 58.694 56.400 0.039 0.000 0.851 442 E CB -0.480 29.240 29.700 0.033 0.000 0.747 442 E HN 0.567 nan 8.360 nan 0.000 0.462 443 A N -0.121 122.718 122.820 0.032 0.000 2.076 443 A HA -0.150 4.171 4.320 0.002 0.000 0.220 443 A C 1.982 179.583 177.584 0.028 0.000 1.160 443 A CA 1.565 53.613 52.037 0.019 0.000 0.653 443 A CB 0.026 19.023 19.000 -0.006 0.000 0.801 443 A HN 0.062 nan 8.150 nan 0.000 0.455 444 K N -1.487 118.948 120.400 0.058 0.000 2.402 444 K HA 0.237 4.558 4.320 0.002 0.000 0.204 444 K C 1.708 178.363 176.600 0.091 0.000 1.056 444 K CA 0.180 56.520 56.287 0.088 0.000 1.069 444 K CB 0.113 32.699 32.500 0.143 0.000 0.888 444 K HN 0.656 nan 8.250 nan 0.000 0.546 445 R N 0.391 120.926 120.500 0.059 0.000 2.070 445 R HA 0.087 4.428 4.340 0.002 0.000 0.233 445 R C 2.423 178.724 176.300 0.001 0.000 1.137 445 R CA 1.988 58.092 56.100 0.008 0.000 0.945 445 R CB -0.297 30.005 30.300 0.005 0.000 0.845 445 R HN 0.212 nan 8.270 nan 0.000 0.430 446 M N 0.355 119.969 119.600 0.023 0.000 2.117 446 M HA -0.099 4.382 4.480 0.002 0.000 0.262 446 M C -0.929 175.378 176.300 0.011 0.000 1.065 446 M CA 1.842 57.155 55.300 0.021 0.000 1.114 446 M CB -0.639 31.987 32.600 0.043 0.000 1.361 446 M HN -0.039 nan 8.290 nan 0.000 0.408 447 P HA -0.149 nan 4.420 nan 0.000 0.215 447 P C 1.653 178.938 177.300 -0.025 0.000 1.153 447 P CA 1.187 64.281 63.100 -0.010 0.000 0.853 447 P CB -0.281 31.410 31.700 -0.015 0.000 0.788 448 c N -0.150 118.438 118.600 -0.021 0.000 2.413 448 c HA -0.132 4.439 4.570 0.002 0.000 0.277 448 c C 2.846 176.939 174.090 0.005 0.000 1.228 448 c CA 1.777 58.079 56.329 -0.044 0.000 1.731 448 c CB -1.660 40.795 42.510 -0.091 0.000 2.042 448 c HN 0.221 nan 8.230 nan 0.000 0.468 449 A N -0.115 122.721 122.820 0.027 0.000 1.908 449 A HA -0.250 4.071 4.320 0.002 0.000 0.218 449 A C 2.158 179.775 177.584 0.055 0.000 1.181 449 A CA 2.131 54.207 52.037 0.064 0.000 0.627 449 A CB -1.020 17.996 19.000 0.027 0.000 0.818 449 A HN 0.842 nan 8.150 nan 0.000 0.445 450 E N -0.350 119.862 120.200 0.020 0.000 2.038 450 E HA -0.289 4.062 4.350 0.002 0.000 0.195 450 E C 1.731 178.339 176.600 0.012 0.000 1.000 450 E CA 1.483 57.895 56.400 0.021 0.000 0.803 450 E CB -0.284 29.428 29.700 0.019 0.000 0.750 450 E HN 0.568 nan 8.360 nan 0.000 0.448 451 D N -0.895 119.476 120.400 -0.048 0.000 2.116 451 D HA -0.191 4.450 4.640 0.002 0.000 0.193 451 D C 1.878 178.101 176.300 -0.128 0.000 0.998 451 D CA 1.321 55.244 54.000 -0.129 0.000 0.836 451 D CB -0.126 40.499 40.800 -0.292 0.000 0.951 451 D HN 0.302 nan 8.370 nan 0.000 0.449 452 Y N -0.010 120.294 120.300 0.007 0.000 2.206 452 Y HA -0.055 4.495 4.550 0.001 0.000 0.292 452 Y C 2.222 178.113 175.900 -0.014 0.000 1.123 452 Y CA 0.188 58.286 58.100 -0.002 0.000 1.142 452 Y CB -0.573 37.877 38.460 -0.017 0.000 1.006 452 Y HN -0.043 nan 8.280 nan 0.000 0.518 453 L N 0.019 121.330 121.223 0.146 0.000 2.265 453 L HA -0.195 4.146 4.340 0.002 0.000 0.215 453 L C 2.489 179.371 176.870 0.020 0.000 1.117 453 L CA 1.901 56.773 54.840 0.052 0.000 0.782 453 L CB -1.315 40.762 42.059 0.031 0.000 0.914 453 L HN 0.328 nan 8.230 nan 0.000 0.441 454 S N -1.382 114.339 115.700 0.035 0.000 2.387 454 S HA -0.116 4.355 4.470 0.002 0.000 0.226 454 S C 1.965 176.573 174.600 0.013 0.000 1.026 454 S CA 1.031 59.244 58.200 0.022 0.000 0.972 454 S CB -1.012 62.205 63.200 0.028 0.000 0.814 454 S HN 0.306 nan 8.310 nan 0.000 0.477 455 V N -0.004 119.926 119.914 0.027 0.000 2.488 455 V HA 0.049 4.170 4.120 0.002 0.000 0.246 455 V C 2.257 178.355 176.094 0.005 0.000 1.046 455 V CA 1.122 63.437 62.300 0.024 0.000 1.053 455 V CB -1.151 30.703 31.823 0.053 0.000 0.679 455 V HN 0.366 nan 8.190 nan 0.000 0.458 456 V N 0.038 119.951 119.914 -0.001 0.000 2.295 456 V HA -0.181 3.940 4.120 0.002 0.000 0.246 456 V C 2.621 178.651 176.094 -0.106 0.000 1.049 456 V CA 2.266 64.538 62.300 -0.047 0.000 1.024 456 V CB -0.678 31.111 31.823 -0.057 0.000 0.648 456 V HN 0.482 nan 8.190 nan 0.000 0.447 457 L N 0.513 121.663 121.223 -0.122 0.000 2.046 457 L HA -0.145 4.196 4.340 0.002 0.000 0.208 457 L C 2.232 179.046 176.870 -0.094 0.000 1.077 457 L CA 2.172 56.897 54.840 -0.191 0.000 0.747 457 L CB -1.035 40.939 42.059 -0.142 0.000 0.896 457 L HN 0.445 nan 8.230 nan 0.000 0.432 458 N N -1.386 117.296 118.700 -0.031 0.000 2.084 458 N HA -0.204 4.537 4.740 0.002 0.000 0.190 458 N C 1.824 177.330 175.510 -0.006 0.000 1.030 458 N CA 1.121 54.171 53.050 0.000 0.000 0.849 458 N CB 0.026 38.515 38.487 0.003 0.000 1.012 458 N HN 0.227 nan 8.380 nan 0.000 0.423 459 Q N -0.135 119.654 119.800 -0.018 0.000 2.167 459 Q HA -0.070 4.271 4.340 0.002 0.000 0.202 459 Q C 2.050 178.040 176.000 -0.016 0.000 0.970 459 Q CA 0.892 56.689 55.803 -0.011 0.000 0.855 459 Q CB -0.484 28.250 28.738 -0.007 0.000 0.911 459 Q HN 0.604 nan 8.270 nan 0.000 0.438 460 L N -2.435 118.758 121.223 -0.050 0.000 2.240 460 L HA 0.038 4.379 4.340 0.002 0.000 0.211 460 L C 2.111 178.986 176.870 0.009 0.000 1.106 460 L CA 1.181 55.990 54.840 -0.052 0.000 0.793 460 L CB -1.265 40.704 42.059 -0.150 0.000 0.927 460 L HN -0.046 nan 8.230 nan 0.000 0.446 461 c N -0.568 118.047 118.600 0.025 0.000 2.457 461 c HA -0.012 4.559 4.570 0.002 0.000 0.278 461 c C 2.807 176.957 174.090 0.099 0.000 1.309 461 c CA 0.802 57.188 56.329 0.096 0.000 1.735 461 c CB -0.593 41.982 42.510 0.108 0.000 1.992 461 c HN 0.541 nan 8.230 nan 0.000 0.493 462 V N 1.173 121.120 119.914 0.054 0.000 2.295 462 V HA -0.227 3.894 4.120 0.002 0.000 0.246 462 V C 2.360 178.483 176.094 0.049 0.000 1.049 462 V CA 1.781 64.105 62.300 0.039 0.000 1.024 462 V CB -0.788 31.044 31.823 0.014 0.000 0.648 462 V HN 0.528 nan 8.190 nan 0.000 0.447 463 L N -0.442 120.812 121.223 0.052 0.000 1.990 463 L HA -0.291 4.050 4.340 0.002 0.000 0.213 463 L C 2.674 179.588 176.870 0.074 0.000 1.072 463 L CA 2.369 57.239 54.840 0.051 0.000 0.755 463 L CB -1.046 41.043 42.059 0.050 0.000 0.889 463 L HN 0.458 nan 8.230 nan 0.000 0.432 464 H N -0.055 119.024 119.070 0.014 0.000 2.456 464 H HA -0.198 4.360 4.556 0.003 0.000 0.296 464 H C 2.186 177.526 175.328 0.020 0.000 1.079 464 H CA 1.719 57.782 56.048 0.024 0.000 1.322 464 H CB 0.347 30.137 29.762 0.046 0.000 1.388 464 H HN 0.438 nan 8.280 nan 0.000 0.538 465 E N 0.358 120.606 120.200 0.079 0.000 2.106 465 E HA -0.148 4.203 4.350 0.002 0.000 0.192 465 E C 1.909 178.493 176.600 -0.027 0.000 0.984 465 E CA 0.994 57.409 56.400 0.025 0.000 0.806 465 E CB 0.276 29.995 29.700 0.033 0.000 0.750 465 E HN 0.166 nan 8.360 nan 0.000 0.458 466 K N -0.425 119.962 120.400 -0.022 0.000 2.155 466 K HA -0.009 4.312 4.320 0.002 0.000 0.203 466 K C 0.507 177.071 176.600 -0.059 0.000 1.052 466 K CA 1.425 57.693 56.287 -0.032 0.000 0.948 466 K CB 0.400 32.891 32.500 -0.016 0.000 0.728 466 K HN 0.158 nan 8.250 nan 0.000 0.448 467 T N -0.633 113.863 114.554 -0.097 0.000 3.446 467 T HA 0.262 4.613 4.350 0.002 0.000 0.289 467 T C -2.901 171.631 174.700 -0.279 0.000 1.203 467 T CA -1.851 60.172 62.100 -0.127 0.000 1.645 467 T CB 1.079 69.907 68.868 -0.067 0.000 0.841 467 T HN -0.145 nan 8.240 nan 0.000 0.617 468 P HA 0.130 nan 4.420 nan 0.000 0.265 468 P C 0.262 177.312 177.300 -0.417 0.000 1.187 468 P CA -0.111 62.519 63.100 -0.782 0.000 0.766 468 P CB 1.483 32.969 31.700 -0.357 0.000 0.820 469 V N 0.544 120.304 119.914 -0.257 0.000 3.368 469 V HA 0.138 4.259 4.120 0.002 0.000 0.255 469 V C 0.846 177.063 176.094 0.206 0.000 1.466 469 V CA 0.565 62.921 62.300 0.093 0.000 1.095 469 V CB 0.719 32.637 31.823 0.158 0.000 0.899 469 V HN 0.688 nan 8.190 nan 0.000 0.440 470 S N 0.706 116.641 115.700 0.391 0.000 2.575 470 S HA 0.283 4.754 4.470 0.002 0.000 0.278 470 S C 0.461 175.179 174.600 0.196 0.000 1.139 470 S CA -0.169 58.159 58.200 0.214 0.000 0.954 470 S CB 1.699 64.977 63.200 0.129 0.000 1.054 470 S HN 0.518 nan 8.310 nan 0.000 0.483 471 D N 4.659 125.123 120.400 0.107 0.000 2.144 471 D HA -0.175 4.465 4.640 0.002 0.000 0.199 471 D C 1.484 177.799 176.300 0.025 0.000 0.984 471 D CA 0.901 54.944 54.000 0.071 0.000 0.834 471 D CB -0.113 40.712 40.800 0.042 0.000 0.955 471 D HN 0.511 nan 8.370 nan 0.000 0.465 472 R N 0.599 121.100 120.500 0.002 0.000 2.083 472 R HA -0.080 4.261 4.340 0.002 0.000 0.237 472 R C 2.704 178.925 176.300 -0.133 0.000 1.137 472 R CA 1.304 57.370 56.100 -0.056 0.000 0.951 472 R CB -0.572 29.704 30.300 -0.038 0.000 0.851 472 R HN 0.095 nan 8.270 nan 0.000 0.434 473 V N 0.344 120.178 119.914 -0.134 0.000 2.343 473 V HA -0.249 3.872 4.120 0.002 0.000 0.247 473 V C 2.040 178.018 176.094 -0.193 0.000 1.051 473 V CA 2.258 64.418 62.300 -0.234 0.000 1.036 473 V CB -0.587 30.939 31.823 -0.495 0.000 0.654 473 V HN 0.444 nan 8.190 nan 0.000 0.451 474 T N -0.436 114.093 114.554 -0.042 0.000 2.833 474 T HA -0.208 4.143 4.350 0.002 0.000 0.269 474 T C 1.971 176.661 174.700 -0.016 0.000 1.054 474 T CA 1.699 63.840 62.100 0.068 0.000 1.135 474 T CB -0.192 68.764 68.868 0.148 0.000 0.869 474 T HN 0.333 nan 8.240 nan 0.000 0.466 475 K N 1.192 121.550 120.400 -0.069 0.000 2.002 475 K HA -0.026 4.295 4.320 0.002 0.000 0.209 475 K C 2.327 178.835 176.600 -0.154 0.000 1.048 475 K CA 1.462 57.696 56.287 -0.089 0.000 0.930 475 K CB -1.104 31.339 32.500 -0.095 0.000 0.714 475 K HN 0.347 nan 8.250 nan 0.000 0.438 476 c N -0.078 118.330 118.600 -0.319 0.000 2.429 476 c HA -0.108 4.463 4.570 0.002 0.000 0.277 476 c C 2.819 176.747 174.090 -0.271 0.000 1.262 476 c CA 0.887 56.907 56.329 -0.515 0.000 1.733 476 c CB -1.084 40.603 42.510 -1.371 0.000 2.010 476 c HN 0.626 nan 8.230 nan 0.000 0.483 477 c N 1.037 119.560 118.600 -0.128 0.000 2.437 477 c HA -0.042 4.529 4.570 0.002 0.000 0.283 477 c C 2.427 176.562 174.090 0.076 0.000 1.424 477 c CA 1.813 58.194 56.329 0.087 0.000 1.782 477 c CB -1.675 40.920 42.510 0.141 0.000 1.833 477 c HN 0.841 nan 8.230 nan 0.000 0.532 478 T N -2.937 111.639 114.554 0.035 0.000 3.085 478 T HA 0.145 4.496 4.350 0.002 0.000 0.264 478 T C 0.101 174.842 174.700 0.068 0.000 1.019 478 T CA 0.009 62.143 62.100 0.056 0.000 0.910 478 T CB 0.249 69.139 68.868 0.036 0.000 1.059 478 T HN 0.383 nan 8.240 nan 0.000 0.542 479 E N 3.003 123.227 120.200 0.040 0.000 2.421 479 E HA 0.381 4.731 4.350 0.002 0.000 0.253 479 E C 0.389 177.040 176.600 0.084 0.000 1.277 479 E CA -0.236 56.180 56.400 0.027 0.000 0.968 479 E CB 0.677 30.355 29.700 -0.038 0.000 1.040 479 E HN 0.409 nan 8.360 nan 0.000 0.512 480 S N -0.348 115.363 115.700 0.018 0.000 2.579 480 S HA 0.172 4.643 4.470 0.002 0.000 0.275 480 S C 1.785 176.297 174.600 -0.145 0.000 1.345 480 S CA -0.068 58.086 58.200 -0.077 0.000 1.031 480 S CB 0.450 63.575 63.200 -0.126 0.000 0.892 480 S HN 0.836 nan 8.310 nan 0.000 0.529 481 L N 2.174 123.109 121.223 -0.479 0.000 2.189 481 L HA 0.016 4.357 4.340 0.002 0.000 0.214 481 L C 2.720 179.499 176.870 -0.152 0.000 1.097 481 L CA 2.216 56.862 54.840 -0.324 0.000 0.764 481 L CB -1.853 39.823 42.059 -0.638 0.000 0.900 481 L HN 0.814 nan 8.230 nan 0.000 0.436 482 V N -0.332 119.476 119.914 -0.177 0.000 2.951 482 V HA -0.116 4.005 4.120 0.002 0.000 0.255 482 V C 2.034 178.087 176.094 -0.068 0.000 1.088 482 V CA 1.569 63.804 62.300 -0.107 0.000 1.109 482 V CB -0.439 31.312 31.823 -0.118 0.000 0.724 482 V HN 0.842 nan 8.190 nan 0.000 0.471 483 N N -0.478 118.186 118.700 -0.060 0.000 2.254 483 N HA 0.056 4.797 4.740 0.002 0.000 0.190 483 N C 1.672 177.171 175.510 -0.018 0.000 1.107 483 N CA 0.088 53.114 53.050 -0.041 0.000 0.869 483 N CB -0.017 38.441 38.487 -0.049 0.000 0.983 483 N HN 0.430 nan 8.380 nan 0.000 0.487 484 R N 1.566 122.076 120.500 0.016 0.000 2.148 484 R HA -0.114 4.227 4.340 0.002 0.000 0.230 484 R C 2.136 178.540 176.300 0.172 0.000 1.120 484 R CA 1.535 57.687 56.100 0.087 0.000 0.902 484 R CB -0.079 30.316 30.300 0.157 0.000 0.839 484 R HN -0.047 nan 8.270 nan 0.000 0.431 485 R N 0.194 120.796 120.500 0.170 0.000 2.096 485 R HA -0.086 4.255 4.340 0.002 0.000 0.240 485 R C -0.752 175.629 176.300 0.135 0.000 1.139 485 R CA 2.020 58.230 56.100 0.183 0.000 0.952 485 R CB -1.524 28.830 30.300 0.089 0.000 0.854 485 R HN 0.322 nan 8.270 nan 0.000 0.436 486 P HA -0.119 nan 4.420 nan 0.000 0.216 486 P C 1.679 178.988 177.300 0.015 0.000 1.150 486 P CA 1.061 64.177 63.100 0.026 0.000 0.837 486 P CB -0.276 31.419 31.700 -0.008 0.000 0.786 487 c N -1.841 116.742 118.600 -0.028 0.000 2.432 487 c HA -0.154 4.417 4.570 0.002 0.000 0.277 487 c C 2.396 176.402 174.090 -0.139 0.000 1.249 487 c CA 0.768 57.022 56.329 -0.125 0.000 1.725 487 c CB -2.143 40.224 42.510 -0.238 0.000 2.028 487 c HN 0.063 nan 8.230 nan 0.000 0.477 488 F N 1.443 121.384 119.950 -0.016 0.000 2.186 488 F HA -0.057 4.472 4.527 0.004 0.000 0.299 488 F C 2.777 178.585 175.800 0.013 0.000 1.090 488 F CA 1.900 59.889 58.000 -0.018 0.000 1.307 488 F CB -0.743 38.231 39.000 -0.042 0.000 1.019 488 F HN 0.135 nan 8.300 nan 0.000 0.489 489 S N -0.350 115.466 115.700 0.192 0.000 2.419 489 S HA -0.122 4.349 4.470 0.002 0.000 0.233 489 S C 2.155 176.810 174.600 0.091 0.000 1.016 489 S CA 0.921 59.202 58.200 0.136 0.000 0.974 489 S CB -0.505 62.751 63.200 0.093 0.000 0.786 489 S HN 0.343 nan 8.310 nan 0.000 0.492 490 A N 0.638 123.491 122.820 0.054 0.000 2.208 490 A HA 0.306 4.627 4.320 0.002 0.000 0.209 490 A C 0.694 178.293 177.584 0.024 0.000 1.161 490 A CA 0.015 52.067 52.037 0.024 0.000 0.782 490 A CB -0.308 18.690 19.000 -0.004 0.000 0.816 490 A HN 0.405 nan 8.150 nan 0.000 0.477 491 L N 2.076 123.327 121.223 0.046 0.000 2.534 491 L HA 0.079 4.420 4.340 0.002 0.000 0.271 491 L C 0.604 177.504 176.870 0.049 0.000 1.178 491 L CA -0.114 54.753 54.840 0.045 0.000 0.907 491 L CB 0.271 42.381 42.059 0.086 0.000 1.164 491 L HN 0.550 nan 8.230 nan 0.000 0.482 492 E N 2.883 123.100 120.200 0.028 0.000 2.259 492 E HA 0.438 4.789 4.350 0.002 0.000 0.257 492 E C -0.588 176.022 176.600 0.018 0.000 0.998 492 E CA -1.101 55.311 56.400 0.020 0.000 0.866 492 E CB 1.422 31.129 29.700 0.012 0.000 1.220 492 E HN 0.154 nan 8.360 nan 0.000 0.415 493 V N 1.647 121.566 119.914 0.009 0.000 2.752 493 V HA -0.122 3.999 4.120 0.002 0.000 0.306 493 V C 0.472 176.577 176.094 0.018 0.000 1.099 493 V CA 0.645 62.949 62.300 0.007 0.000 1.240 493 V CB 0.157 31.981 31.823 0.002 0.000 0.887 493 V HN 0.695 nan 8.190 nan 0.000 0.499 494 D N 4.517 124.929 120.400 0.019 0.000 2.352 494 D HA 0.064 4.705 4.640 0.002 0.000 0.245 494 D C 0.959 177.306 176.300 0.078 0.000 1.224 494 D CA -0.236 53.790 54.000 0.044 0.000 0.879 494 D CB 1.105 41.925 40.800 0.033 0.000 1.057 494 D HN 0.569 nan 8.370 nan 0.000 0.491 495 E N 2.080 122.321 120.200 0.067 0.000 2.158 495 E HA -0.073 4.278 4.350 0.002 0.000 0.191 495 E C 1.703 178.353 176.600 0.085 0.000 0.982 495 E CA 0.724 57.165 56.400 0.068 0.000 0.823 495 E CB -0.126 29.598 29.700 0.041 0.000 0.766 495 E HN 0.516 nan 8.360 nan 0.000 0.468 496 T N 1.111 115.717 114.554 0.087 0.000 2.720 496 T HA -0.210 4.141 4.350 0.002 0.000 0.268 496 T C 0.863 175.628 174.700 0.108 0.000 1.037 496 T CA 0.762 62.910 62.100 0.081 0.000 1.144 496 T CB -0.609 68.305 68.868 0.075 0.000 0.864 496 T HN 0.180 nan 8.240 nan 0.000 0.444 497 Y N 2.473 122.785 120.300 0.020 0.000 3.073 497 Y HA 0.059 4.609 4.550 0.001 0.000 0.343 497 Y C -0.362 175.552 175.900 0.023 0.000 1.274 497 Y CA -0.411 57.704 58.100 0.025 0.000 1.554 497 Y CB 0.208 38.685 38.460 0.029 0.000 1.250 497 Y HN -0.097 nan 8.280 nan 0.000 0.622 498 V N 9.201 128.638 119.914 -0.794 0.000 2.357 498 V HA 0.278 4.399 4.120 0.002 0.000 0.284 498 V C -1.989 173.503 176.094 -1.004 0.000 1.018 498 V CA -1.994 59.924 62.300 -0.637 0.000 0.841 498 V CB 1.176 32.810 31.823 -0.314 0.000 0.991 498 V HN 0.759 nan 8.190 nan 0.000 0.437 499 P HA -0.005 nan 4.420 nan 0.000 0.263 499 P C -0.440 176.837 177.300 -0.037 0.000 1.175 499 P CA -0.110 62.873 63.100 -0.194 0.000 0.761 499 P CB 0.586 32.265 31.700 -0.034 0.000 0.794 500 K N 2.590 123.087 120.400 0.161 0.000 2.448 500 K HA 0.061 4.382 4.320 0.002 0.000 0.278 500 K C 0.657 177.417 176.600 0.267 0.000 1.009 500 K CA 0.153 56.549 56.287 0.182 0.000 0.995 500 K CB 0.243 32.871 32.500 0.214 0.000 0.917 500 K HN 0.518 nan 8.250 nan 0.000 0.481 501 E N 1.568 121.865 120.200 0.161 0.000 2.392 501 E HA -0.027 4.324 4.350 0.002 0.000 0.264 501 E C -0.401 176.272 176.600 0.122 0.000 1.024 501 E CA -0.356 56.155 56.400 0.185 0.000 0.903 501 E CB 0.383 30.145 29.700 0.104 0.000 0.963 501 E HN 0.251 nan 8.360 nan 0.000 0.432 502 F N 4.394 124.307 119.950 -0.061 0.000 2.629 502 F HA -0.038 4.489 4.527 0.001 0.000 0.377 502 F C 0.130 175.883 175.800 -0.078 0.000 1.101 502 F CA 0.469 58.299 58.000 -0.282 0.000 1.301 502 F CB 0.334 39.203 39.000 -0.219 0.000 1.062 502 F HN 0.324 nan 8.300 nan 0.000 0.583 503 N N 4.830 122.910 118.700 -1.034 0.000 2.549 503 N HA 0.320 5.061 4.740 0.002 0.000 0.281 503 N C 0.241 175.114 175.510 -1.062 0.000 1.084 503 N CA 0.214 52.794 53.050 -0.782 0.000 0.862 503 N CB 1.765 40.007 38.487 -0.409 0.000 1.333 503 N HN 0.794 nan 8.380 nan 0.000 0.523 504 A N 3.393 125.683 122.820 -0.882 0.000 1.948 504 A HA -0.225 4.096 4.320 0.002 0.000 0.220 504 A C 1.996 179.459 177.584 -0.202 0.000 1.177 504 A CA 2.638 54.445 52.037 -0.382 0.000 0.636 504 A CB -0.904 18.087 19.000 -0.015 0.000 0.815 504 A HN 0.818 nan 8.150 nan 0.000 0.449 505 E N -0.946 119.116 120.200 -0.229 0.000 2.058 505 E HA -0.224 4.127 4.350 0.002 0.000 0.194 505 E C 2.010 178.435 176.600 -0.291 0.000 0.997 505 E CA 2.111 58.397 56.400 -0.189 0.000 0.801 505 E CB -1.893 27.710 29.700 -0.162 0.000 0.746 505 E HN 0.627 nan 8.360 nan 0.000 0.450 506 T N -0.172 114.128 114.554 -0.424 0.000 2.760 506 T HA -0.098 4.253 4.350 0.002 0.000 0.269 506 T C 0.666 174.862 174.700 -0.841 0.000 1.047 506 T CA 1.401 63.109 62.100 -0.653 0.000 1.139 506 T CB -0.355 67.985 68.868 -0.881 0.000 0.855 506 T HN 0.437 nan 8.240 nan 0.000 0.471 507 F N 1.341 121.150 119.950 -0.234 0.000 2.837 507 F HA 0.314 4.842 4.527 0.001 0.000 0.298 507 F C 0.536 176.197 175.800 -0.231 0.000 1.161 507 F CA -0.589 57.335 58.000 -0.126 0.000 1.353 507 F CB -0.076 39.025 39.000 0.168 0.000 0.951 507 F HN -0.165 nan 8.300 nan 0.000 0.508 508 T N 0.975 115.258 114.554 -0.451 0.000 2.794 508 T HA 0.591 4.942 4.350 0.002 0.000 0.280 508 T C -0.801 173.553 174.700 -0.576 0.000 0.987 508 T CA -0.244 61.694 62.100 -0.270 0.000 0.993 508 T CB 1.027 69.824 68.868 -0.119 0.000 0.939 508 T HN -0.140 nan 8.240 nan 0.000 0.449 509 F N 1.548 121.609 119.950 0.184 0.000 2.547 509 F HA 0.522 5.050 4.527 0.001 0.000 0.316 509 F C 0.327 176.162 175.800 0.058 0.000 1.121 509 F CA -1.105 57.056 58.000 0.269 0.000 0.911 509 F CB 1.430 40.769 39.000 0.564 0.000 1.179 509 F HN 0.551 nan 8.300 nan 0.000 0.443 510 H N 0.149 119.312 119.070 0.154 0.000 2.630 510 H HA 0.633 5.190 4.556 0.002 0.000 0.343 510 H C 0.632 175.533 175.328 -0.711 0.000 1.232 510 H CA -0.489 55.430 56.048 -0.215 0.000 1.294 510 H CB 1.182 30.874 29.762 -0.117 0.000 1.746 510 H HN 0.676 nan 8.280 nan 0.000 0.593 511 A N 0.375 122.710 122.820 -0.809 0.000 2.216 511 A HA -0.136 4.185 4.320 0.002 0.000 0.214 511 A C 1.347 178.754 177.584 -0.295 0.000 1.160 511 A CA 1.189 52.733 52.037 -0.821 0.000 0.725 511 A CB -0.778 17.920 19.000 -0.503 0.000 0.784 511 A HN 0.849 nan 8.150 nan 0.000 0.472 512 D N 0.456 120.765 120.400 -0.151 0.000 2.403 512 D HA -0.129 4.512 4.640 0.002 0.000 0.227 512 D C 1.122 177.417 176.300 -0.009 0.000 0.995 512 D CA 1.212 55.177 54.000 -0.058 0.000 0.928 512 D CB -0.286 40.492 40.800 -0.037 0.000 0.887 512 D HN 0.610 nan 8.370 nan 0.000 0.529 513 I N -2.229 118.342 120.570 0.003 0.000 3.860 513 I HA 0.124 4.295 4.170 0.002 0.000 0.319 513 I C 1.832 177.986 176.117 0.062 0.000 1.279 513 I CA -0.653 60.697 61.300 0.083 0.000 1.220 513 I CB -0.529 37.590 38.000 0.199 0.000 1.027 513 I HN -0.081 nan 8.210 nan 0.000 0.428 514 c N -0.009 118.603 118.600 0.019 0.000 2.504 514 c HA 0.033 4.604 4.570 0.002 0.000 0.279 514 c C 2.733 176.831 174.090 0.013 0.000 1.358 514 c CA 1.054 57.402 56.329 0.031 0.000 1.747 514 c CB -0.975 41.554 42.510 0.032 0.000 2.037 514 c HN 0.661 nan 8.230 nan 0.000 0.503 515 T N 0.124 114.678 114.554 -0.000 0.000 3.054 515 T HA 0.176 4.527 4.350 0.002 0.000 0.259 515 T C 0.642 175.346 174.700 0.007 0.000 1.092 515 T CA 0.337 62.437 62.100 -0.001 0.000 1.121 515 T CB -0.235 68.626 68.868 -0.011 0.000 0.912 515 T HN 0.319 nan 8.240 nan 0.000 0.489 516 L N 2.687 123.919 121.223 0.017 0.000 2.479 516 L HA 0.241 4.582 4.340 0.002 0.000 0.270 516 L C 0.958 177.839 176.870 0.019 0.000 1.236 516 L CA -0.551 54.303 54.840 0.023 0.000 0.823 516 L CB 0.515 42.599 42.059 0.042 0.000 1.098 516 L HN 0.315 nan 8.230 nan 0.000 0.500 517 S N -0.064 115.647 115.700 0.017 0.000 2.652 517 S HA 0.186 4.657 4.470 0.002 0.000 0.270 517 S C 0.801 175.404 174.600 0.005 0.000 1.243 517 S CA -0.879 57.326 58.200 0.009 0.000 0.999 517 S CB 1.521 64.727 63.200 0.009 0.000 0.973 517 S HN 0.576 nan 8.310 nan 0.000 0.544 518 E N 1.970 122.162 120.200 -0.013 0.000 2.072 518 E HA -0.296 4.055 4.350 0.002 0.000 0.218 518 E C 2.607 179.193 176.600 -0.022 0.000 1.051 518 E CA 2.419 58.795 56.400 -0.040 0.000 0.880 518 E CB -1.299 28.369 29.700 -0.053 0.000 0.783 518 E HN 0.899 nan 8.360 nan 0.000 0.473 519 K N 1.711 122.111 120.400 0.000 0.000 2.173 519 K HA -0.223 4.098 4.320 0.002 0.000 0.207 519 K C 1.897 178.525 176.600 0.046 0.000 1.046 519 K CA 1.913 58.217 56.287 0.027 0.000 0.929 519 K CB -0.541 31.978 32.500 0.031 0.000 0.720 519 K HN 0.147 nan 8.250 nan 0.000 0.453 520 E N -0.085 120.139 120.200 0.040 0.000 2.086 520 E HA -0.042 4.309 4.350 0.002 0.000 0.190 520 E C 2.345 178.992 176.600 0.080 0.000 0.975 520 E CA 0.818 57.251 56.400 0.056 0.000 0.813 520 E CB -0.107 29.619 29.700 0.045 0.000 0.768 520 E HN 0.670 nan 8.360 nan 0.000 0.457 521 R N 0.987 121.528 120.500 0.068 0.000 2.070 521 R HA -0.117 4.224 4.340 0.002 0.000 0.233 521 R C 2.549 178.931 176.300 0.137 0.000 1.137 521 R CA 1.441 57.600 56.100 0.098 0.000 0.945 521 R CB -0.337 29.995 30.300 0.053 0.000 0.845 521 R HN 0.222 nan 8.270 nan 0.000 0.430 522 Q N 0.683 120.541 119.800 0.096 0.000 2.014 522 Q HA -0.190 4.151 4.340 0.002 0.000 0.207 522 Q C 2.275 178.416 176.000 0.235 0.000 0.993 522 Q CA 1.790 57.717 55.803 0.205 0.000 0.850 522 Q CB -0.351 28.492 28.738 0.175 0.000 0.916 522 Q HN 0.367 nan 8.270 nan 0.000 0.417 523 I N 0.823 121.492 120.570 0.164 0.000 2.248 523 I HA -0.328 3.843 4.170 0.002 0.000 0.248 523 I C 2.319 178.519 176.117 0.140 0.000 1.107 523 I CA 1.361 62.742 61.300 0.135 0.000 1.373 523 I CB -0.343 37.715 38.000 0.096 0.000 1.055 523 I HN 0.196 nan 8.210 nan 0.000 0.418 524 K N 0.825 121.322 120.400 0.161 0.000 2.057 524 K HA -0.156 4.165 4.320 0.002 0.000 0.206 524 K C 2.175 178.923 176.600 0.246 0.000 1.050 524 K CA 1.263 57.667 56.287 0.194 0.000 0.935 524 K CB -0.077 32.561 32.500 0.230 0.000 0.715 524 K HN 0.275 nan 8.250 nan 0.000 0.439 525 K N 0.963 121.525 120.400 0.271 0.000 2.026 525 K HA -0.165 4.156 4.320 0.002 0.000 0.208 525 K C 2.202 178.896 176.600 0.156 0.000 1.048 525 K CA 1.439 57.884 56.287 0.264 0.000 0.929 525 K CB -0.004 32.705 32.500 0.348 0.000 0.713 525 K HN 0.192 nan 8.250 nan 0.000 0.439 526 Q N -0.189 119.706 119.800 0.158 0.000 2.167 526 Q HA -0.106 4.235 4.340 0.002 0.000 0.202 526 Q C 1.935 177.975 176.000 0.067 0.000 0.970 526 Q CA 1.469 57.326 55.803 0.089 0.000 0.855 526 Q CB -0.043 28.751 28.738 0.093 0.000 0.911 526 Q HN 0.284 nan 8.270 nan 0.000 0.438 527 T N 0.803 115.406 114.554 0.082 0.000 2.777 527 T HA -0.085 4.266 4.350 0.002 0.000 0.266 527 T C 1.929 176.652 174.700 0.038 0.000 1.040 527 T CA 1.122 63.252 62.100 0.050 0.000 1.141 527 T CB -0.176 68.719 68.868 0.045 0.000 0.868 527 T HN 0.382 nan 8.240 nan 0.000 0.444 528 A N 1.241 124.107 122.820 0.078 0.000 1.930 528 A HA 0.024 4.345 4.320 0.002 0.000 0.217 528 A C 2.193 179.850 177.584 0.122 0.000 1.175 528 A CA 1.002 53.095 52.037 0.093 0.000 0.627 528 A CB -0.719 18.424 19.000 0.239 0.000 0.815 528 A HN 0.377 nan 8.150 nan 0.000 0.443 529 L N 0.081 121.341 121.223 0.062 0.000 2.017 529 L HA -0.124 4.217 4.340 0.002 0.000 0.208 529 L C 2.453 179.365 176.870 0.069 0.000 1.073 529 L CA 1.980 56.845 54.840 0.043 0.000 0.745 529 L CB -0.729 41.329 42.059 -0.002 0.000 0.894 529 L HN 0.175 nan 8.230 nan 0.000 0.432 530 V N -0.173 119.773 119.914 0.052 0.000 2.287 530 V HA -0.272 3.849 4.120 0.002 0.000 0.248 530 V C 2.649 178.797 176.094 0.090 0.000 1.053 530 V CA 1.881 64.210 62.300 0.049 0.000 1.027 530 V CB -0.737 31.104 31.823 0.030 0.000 0.646 530 V HN 0.458 nan 8.190 nan 0.000 0.447 531 E N -0.188 120.071 120.200 0.098 0.000 2.153 531 E HA -0.207 4.144 4.350 0.002 0.000 0.194 531 E C 2.094 178.917 176.600 0.373 0.000 0.988 531 E CA 1.106 57.590 56.400 0.141 0.000 0.811 531 E CB -0.433 29.226 29.700 -0.069 0.000 0.746 531 E HN 0.481 nan 8.360 nan 0.000 0.466 532 L N 0.615 122.084 121.223 0.410 0.000 2.017 532 L HA -0.132 4.209 4.340 0.002 0.000 0.208 532 L C 2.253 179.266 176.870 0.238 0.000 1.073 532 L CA 1.437 56.507 54.840 0.384 0.000 0.745 532 L CB -0.729 41.458 42.059 0.215 0.000 0.894 532 L HN -0.105 nan 8.230 nan 0.000 0.432 533 V N -0.201 119.806 119.914 0.154 0.000 2.427 533 V HA -0.262 3.859 4.120 0.002 0.000 0.248 533 V C 2.551 178.730 176.094 0.141 0.000 1.051 533 V CA 1.904 64.263 62.300 0.098 0.000 1.048 533 V CB -0.727 31.119 31.823 0.039 0.000 0.666 533 V HN 0.454 nan 8.190 nan 0.000 0.456 534 K N -0.813 119.696 120.400 0.182 0.000 2.362 534 K HA -0.183 4.138 4.320 0.002 0.000 0.200 534 K C 2.078 178.910 176.600 0.387 0.000 1.046 534 K CA 1.267 57.707 56.287 0.256 0.000 0.952 534 K CB -0.136 32.497 32.500 0.222 0.000 0.753 534 K HN 0.584 nan 8.250 nan 0.000 0.466 535 H N 0.202 119.416 119.070 0.240 0.000 2.516 535 H HA 0.162 4.719 4.556 0.002 0.000 0.284 535 H C -0.106 175.310 175.328 0.146 0.000 0.999 535 H CA 0.717 56.897 56.048 0.220 0.000 1.303 535 H CB 0.702 30.639 29.762 0.292 0.000 1.452 535 H HN -0.250 nan 8.280 nan 0.000 0.530 536 K N 1.480 121.872 120.400 -0.013 0.000 2.954 536 K HA 0.196 4.517 4.320 0.002 0.000 0.171 536 K C -2.302 174.298 176.600 0.001 0.000 1.079 536 K CA -1.724 54.501 56.287 -0.102 0.000 0.908 536 K CB 1.456 33.881 32.500 -0.126 0.000 1.142 536 K HN 0.301 nan 8.250 nan 0.000 0.613 537 P HA -0.113 nan 4.420 nan 0.000 0.225 537 P C 0.400 177.717 177.300 0.030 0.000 1.148 537 P CA 0.776 63.918 63.100 0.070 0.000 0.779 537 P CB 0.504 32.307 31.700 0.172 0.000 0.780 538 K N -0.479 119.926 120.400 0.008 0.000 2.374 538 K HA 0.270 4.591 4.320 0.002 0.000 0.196 538 K C 1.063 177.652 176.600 -0.018 0.000 1.023 538 K CA -0.237 56.048 56.287 -0.005 0.000 1.103 538 K CB 0.076 32.570 32.500 -0.011 0.000 0.848 538 K HN 0.050 nan 8.250 nan 0.000 0.528 539 A N 1.825 124.631 122.820 -0.023 0.000 2.477 539 A HA 0.193 4.514 4.320 0.002 0.000 0.246 539 A C 0.356 177.925 177.584 -0.025 0.000 1.078 539 A CA 0.091 52.111 52.037 -0.029 0.000 0.770 539 A CB 0.024 19.005 19.000 -0.032 0.000 1.011 539 A HN 0.178 nan 8.150 nan 0.000 0.494 540 T N 1.875 116.413 114.554 -0.026 0.000 2.766 540 T HA 0.434 4.785 4.350 0.002 0.000 0.295 540 T C 1.951 176.635 174.700 -0.026 0.000 1.024 540 T CA 0.277 62.363 62.100 -0.024 0.000 1.018 540 T CB 0.648 69.502 68.868 -0.022 0.000 1.002 540 T HN 0.871 nan 8.240 nan 0.000 0.532 541 K N 0.584 120.968 120.400 -0.026 0.000 2.365 541 K HA -0.035 4.286 4.320 0.002 0.000 0.199 541 K C 1.831 178.418 176.600 -0.022 0.000 1.045 541 K CA 1.046 57.317 56.287 -0.028 0.000 0.962 541 K CB -0.463 32.021 32.500 -0.028 0.000 0.759 541 K HN 0.581 nan 8.250 nan 0.000 0.469 542 E N 0.706 120.895 120.200 -0.019 0.000 2.024 542 E HA -0.106 4.245 4.350 0.002 0.000 0.190 542 E C 2.297 178.886 176.600 -0.018 0.000 0.974 542 E CA 1.061 57.451 56.400 -0.016 0.000 0.810 542 E CB -0.432 29.259 29.700 -0.015 0.000 0.775 542 E HN 0.725 nan 8.360 nan 0.000 0.453 543 Q N 0.497 120.284 119.800 -0.022 0.000 2.096 543 Q HA -0.206 4.135 4.340 0.002 0.000 0.208 543 Q C 2.270 178.254 176.000 -0.026 0.000 0.993 543 Q CA 1.293 57.081 55.803 -0.026 0.000 0.862 543 Q CB -0.277 28.442 28.738 -0.032 0.000 0.915 543 Q HN 0.072 nan 8.270 nan 0.000 0.416 544 L N 1.232 122.439 121.223 -0.026 0.000 1.994 544 L HA -0.214 4.127 4.340 0.002 0.000 0.208 544 L C 2.323 179.182 176.870 -0.019 0.000 1.071 544 L CA 1.902 56.726 54.840 -0.026 0.000 0.745 544 L CB -0.550 41.493 42.059 -0.028 0.000 0.892 544 L HN 0.108 nan 8.230 nan 0.000 0.431 545 K N -0.962 119.430 120.400 -0.014 0.000 2.152 545 K HA -0.211 4.110 4.320 0.002 0.000 0.206 545 K C 1.922 178.525 176.600 0.005 0.000 1.048 545 K CA 1.277 57.562 56.287 -0.004 0.000 0.933 545 K CB -0.119 32.379 32.500 -0.004 0.000 0.721 545 K HN 0.389 nan 8.250 nan 0.000 0.447 546 A N 0.766 123.584 122.820 -0.003 0.000 1.851 546 A HA -0.147 4.174 4.320 0.002 0.000 0.216 546 A C 2.262 179.850 177.584 0.007 0.000 1.195 546 A CA 1.893 53.930 52.037 -0.000 0.000 0.622 546 A CB -0.837 18.157 19.000 -0.011 0.000 0.831 546 A HN 0.164 nan 8.150 nan 0.000 0.444 547 V N 0.127 120.038 119.914 -0.004 0.000 2.255 547 V HA -0.360 3.761 4.120 0.002 0.000 0.247 547 V C 2.686 178.806 176.094 0.042 0.000 1.051 547 V CA 2.354 64.653 62.300 -0.002 0.000 1.018 547 V CB -0.788 31.012 31.823 -0.038 0.000 0.641 547 V HN 0.575 nan 8.190 nan 0.000 0.445 548 M N -0.327 119.293 119.600 0.033 0.000 2.143 548 M HA -0.264 4.217 4.480 0.002 0.000 0.258 548 M C 1.883 178.266 176.300 0.139 0.000 1.071 548 M CA 2.114 57.463 55.300 0.081 0.000 1.088 548 M CB -0.782 31.845 32.600 0.044 0.000 1.360 548 M HN 0.386 nan 8.290 nan 0.000 0.404 549 D N 0.408 120.859 120.400 0.085 0.000 2.097 549 D HA -0.133 4.508 4.640 0.002 0.000 0.197 549 D C 1.619 177.968 176.300 0.082 0.000 0.984 549 D CA 1.104 55.149 54.000 0.075 0.000 0.826 549 D CB -0.341 40.484 40.800 0.042 0.000 0.973 549 D HN 0.239 nan 8.370 nan 0.000 0.460 550 D N -0.536 119.910 120.400 0.077 0.000 2.182 550 D HA -0.148 4.493 4.640 0.002 0.000 0.201 550 D C 1.684 178.054 176.300 0.117 0.000 0.986 550 D CA 0.428 54.469 54.000 0.069 0.000 0.847 550 D CB -0.260 40.563 40.800 0.038 0.000 0.942 550 D HN 0.169 nan 8.370 nan 0.000 0.467 551 F N 1.324 121.265 119.950 -0.016 0.000 2.234 551 F HA -0.028 4.500 4.527 0.002 0.000 0.299 551 F C 2.117 177.950 175.800 0.056 0.000 1.087 551 F CA 0.862 58.859 58.000 -0.006 0.000 1.340 551 F CB -0.162 38.809 39.000 -0.049 0.000 1.031 551 F HN -0.091 nan 8.300 nan 0.000 0.500 552 A N 0.511 123.393 122.820 0.103 0.000 1.851 552 A HA -0.131 4.190 4.320 0.002 0.000 0.216 552 A C 2.483 180.030 177.584 -0.062 0.000 1.195 552 A CA 2.193 54.244 52.037 0.022 0.000 0.622 552 A CB -1.616 17.420 19.000 0.060 0.000 0.831 552 A HN 0.445 nan 8.150 nan 0.000 0.444 553 A N -1.134 121.669 122.820 -0.028 0.000 1.841 553 A HA -0.092 4.229 4.320 0.002 0.000 0.216 553 A C 2.070 179.585 177.584 -0.115 0.000 1.199 553 A CA 1.748 53.753 52.037 -0.054 0.000 0.621 553 A CB -1.070 17.920 19.000 -0.017 0.000 0.835 553 A HN 0.810 nan 8.150 nan 0.000 0.445 554 F N 0.834 120.629 119.950 -0.258 0.000 2.053 554 F HA -0.358 4.170 4.527 0.002 0.000 0.295 554 F C 2.227 177.725 175.800 -0.503 0.000 1.102 554 F CA 2.653 60.431 58.000 -0.369 0.000 1.225 554 F CB -0.544 38.216 39.000 -0.400 0.000 0.961 554 F HN 0.084 nan 8.300 nan 0.000 0.495 555 V N 0.410 119.987 119.914 -0.561 0.000 2.220 555 V HA -0.385 3.736 4.120 0.002 0.000 0.250 555 V C 2.294 178.132 176.094 -0.427 0.000 1.056 555 V CA 2.471 64.437 62.300 -0.557 0.000 1.016 555 V CB -0.974 30.630 31.823 -0.365 0.000 0.639 555 V HN 0.439 nan 8.190 nan 0.000 0.446 556 E N 0.025 120.061 120.200 -0.273 0.000 2.023 556 E HA -0.253 4.098 4.350 0.002 0.000 0.196 556 E C 2.278 178.743 176.600 -0.227 0.000 1.003 556 E CA 1.748 58.036 56.400 -0.188 0.000 0.809 556 E CB -0.252 29.376 29.700 -0.121 0.000 0.755 556 E HN 0.358 nan 8.360 nan 0.000 0.449 557 K N -0.112 120.135 120.400 -0.256 0.000 2.640 557 K HA -0.116 4.205 4.320 0.002 0.000 0.193 557 K C 1.157 177.547 176.600 -0.351 0.000 1.036 557 K CA 0.921 57.063 56.287 -0.242 0.000 0.962 557 K CB -0.885 31.497 32.500 -0.196 0.000 0.791 557 K HN 0.336 nan 8.250 nan 0.000 0.491 558 c N -2.900 115.406 118.600 -0.490 0.000 3.685 558 c HA 0.328 4.899 4.570 0.002 0.000 0.513 558 c C 2.486 176.512 174.090 -0.106 0.000 1.448 558 c CA -0.157 55.816 56.329 -0.593 0.000 2.275 558 c CB -0.340 41.120 42.510 -1.749 0.000 3.373 558 c HN 0.753 nan 8.230 nan 0.000 0.627 559 c N 0.520 119.090 118.600 -0.051 0.000 2.544 559 c HA 0.009 4.580 4.570 0.002 0.000 0.280 559 c C 2.179 176.286 174.090 0.029 0.000 1.295 559 c CA 0.841 57.236 56.329 0.109 0.000 1.702 559 c CB -0.975 41.583 42.510 0.079 0.000 2.090 559 c HN 0.569 nan 8.230 nan 0.000 0.493 560 K N 1.258 121.643 120.400 -0.025 0.000 2.706 560 K HA 0.281 4.602 4.320 0.002 0.000 0.217 560 K C 0.096 176.677 176.600 -0.031 0.000 1.019 560 K CA -0.156 56.115 56.287 -0.026 0.000 1.181 560 K CB -0.274 32.203 32.500 -0.038 0.000 0.940 560 K HN 0.467 nan 8.250 nan 0.000 0.491 561 A N -0.076 122.730 122.820 -0.024 0.000 2.312 561 A HA 0.363 4.684 4.320 0.002 0.000 0.328 561 A C 0.725 178.309 177.584 -0.000 0.000 1.158 561 A CA 0.123 52.144 52.037 -0.026 0.000 0.821 561 A CB 0.739 19.709 19.000 -0.051 0.000 1.170 561 A HN 0.463 nan 8.150 nan 0.000 0.490 562 D N -0.042 120.355 120.400 -0.004 0.000 2.397 562 D HA 0.122 4.763 4.640 0.002 0.000 0.219 562 D C 0.238 176.547 176.300 0.015 0.000 0.975 562 D CA 1.837 55.840 54.000 0.004 0.000 0.940 562 D CB -0.253 40.547 40.800 0.001 0.000 0.884 562 D HN 0.798 nan 8.370 nan 0.000 0.505 563 D N -3.565 116.851 120.400 0.026 0.000 2.633 563 D HA 0.443 5.084 4.640 0.002 0.000 0.198 563 D C 0.320 176.670 176.300 0.082 0.000 1.273 563 D CA 0.304 54.330 54.000 0.043 0.000 0.830 563 D CB 0.789 41.611 40.800 0.037 0.000 1.771 563 D HN 0.335 nan 8.370 nan 0.000 0.547 564 K N 1.919 122.381 120.400 0.103 0.000 3.063 564 K HA 0.370 4.691 4.320 0.002 0.000 0.353 564 K C 1.245 177.955 176.600 0.184 0.000 1.008 564 K CA 1.231 57.634 56.287 0.195 0.000 1.228 564 K CB -0.698 31.832 32.500 0.049 0.000 1.165 564 K HN 0.666 nan 8.250 nan 0.000 0.495 565 E N -1.227 119.047 120.200 0.123 0.000 4.239 565 E HA -0.306 4.045 4.350 0.002 0.000 0.202 565 E C 1.848 178.557 176.600 0.181 0.000 1.315 565 E CA 2.818 59.291 56.400 0.123 0.000 2.198 565 E CB -2.019 27.728 29.700 0.078 0.000 1.906 565 E HN 0.779 nan 8.360 nan 0.000 0.275 566 T N 1.103 115.738 114.554 0.136 0.000 2.607 566 T HA -0.240 4.111 4.350 0.002 0.000 0.267 566 T C 1.891 176.666 174.700 0.125 0.000 1.049 566 T CA 2.129 64.296 62.100 0.111 0.000 1.162 566 T CB -0.808 68.104 68.868 0.073 0.000 0.863 566 T HN 0.536 nan 8.240 nan 0.000 0.424 567 c N 0.901 119.568 118.600 0.110 0.000 2.385 567 c HA -0.152 4.419 4.570 0.002 0.000 0.275 567 c C 2.296 176.377 174.090 -0.015 0.000 1.207 567 c CA 0.699 57.029 56.329 0.002 0.000 1.760 567 c CB -1.774 40.673 42.510 -0.104 0.000 2.051 567 c HN 0.564 nan 8.230 nan 0.000 0.467 568 F N 1.007 120.930 119.950 -0.045 0.000 2.699 568 F HA 0.140 4.668 4.527 0.001 0.000 0.298 568 F C 2.147 178.054 175.800 0.177 0.000 1.154 568 F CA 0.952 58.986 58.000 0.056 0.000 1.457 568 F CB -0.449 38.569 39.000 0.031 0.000 1.106 568 F HN 0.347 nan 8.300 nan 0.000 0.585 569 A N -0.293 122.687 122.820 0.268 0.000 1.993 569 A HA 0.208 4.529 4.320 0.002 0.000 0.207 569 A C 2.067 179.749 177.584 0.163 0.000 1.224 569 A CA 0.945 53.095 52.037 0.189 0.000 0.749 569 A CB -0.802 18.280 19.000 0.136 0.000 0.884 569 A HN 0.254 nan 8.150 nan 0.000 0.467 570 E N 0.507 120.792 120.200 0.141 0.000 2.014 570 E HA -0.130 4.221 4.350 0.002 0.000 0.190 570 E C 1.792 178.473 176.600 0.135 0.000 0.980 570 E CA 1.258 57.724 56.400 0.109 0.000 0.807 570 E CB -0.755 28.990 29.700 0.075 0.000 0.770 570 E HN 0.500 nan 8.360 nan 0.000 0.451 571 E N 0.413 120.713 120.200 0.167 0.000 2.085 571 E HA -0.122 4.229 4.350 0.002 0.000 0.194 571 E C 2.427 179.221 176.600 0.324 0.000 0.994 571 E CA 1.208 57.759 56.400 0.253 0.000 0.801 571 E CB -0.933 28.934 29.700 0.278 0.000 0.743 571 E HN 0.538 nan 8.360 nan 0.000 0.453 572 G N 1.531 110.609 108.800 0.463 0.000 2.469 572 G HA2 -0.344 3.617 3.960 0.002 0.000 0.219 572 G HA3 -0.344 3.617 3.960 0.002 0.000 0.219 572 G C 1.929 176.883 174.900 0.090 0.000 1.150 572 G CA 1.347 46.581 45.100 0.222 0.000 0.763 572 G HN 0.211 nan 8.290 nan 0.000 0.561 573 K N 0.167 120.640 120.400 0.121 0.000 2.057 573 K HA 0.053 4.374 4.320 0.002 0.000 0.206 573 K C 2.532 179.156 176.600 0.040 0.000 1.050 573 K CA 1.398 57.735 56.287 0.084 0.000 0.935 573 K CB -0.404 32.145 32.500 0.083 0.000 0.715 573 K HN 0.467 nan 8.250 nan 0.000 0.439 574 K N 0.042 120.466 120.400 0.039 0.000 2.032 574 K HA -0.089 4.232 4.320 0.002 0.000 0.209 574 K C 2.198 178.781 176.600 -0.028 0.000 1.048 574 K CA 1.549 57.843 56.287 0.013 0.000 0.927 574 K CB -0.387 32.133 32.500 0.033 0.000 0.712 574 K HN 0.034 nan 8.250 nan 0.000 0.441 575 L N 0.971 122.149 121.223 -0.076 0.000 1.970 575 L HA -0.211 4.130 4.340 0.002 0.000 0.212 575 L C 2.125 178.933 176.870 -0.104 0.000 1.071 575 L CA 1.557 56.312 54.840 -0.141 0.000 0.751 575 L CB -0.583 41.258 42.059 -0.364 0.000 0.889 575 L HN -0.062 nan 8.230 nan 0.000 0.432 576 V N -0.063 119.809 119.914 -0.070 0.000 2.324 576 V HA -0.361 3.760 4.120 0.002 0.000 0.250 576 V C 2.723 178.748 176.094 -0.116 0.000 1.060 576 V CA 1.783 64.043 62.300 -0.067 0.000 1.042 576 V CB -1.376 30.474 31.823 0.044 0.000 0.650 576 V HN 0.638 nan 8.190 nan 0.000 0.450 577 A N -0.194 122.581 122.820 -0.076 0.000 1.858 577 A HA -0.092 4.229 4.320 0.002 0.000 0.216 577 A C 2.447 179.981 177.584 -0.083 0.000 1.190 577 A CA 2.157 54.147 52.037 -0.079 0.000 0.617 577 A CB -0.955 18.020 19.000 -0.042 0.000 0.827 577 A HN 0.568 nan 8.150 nan 0.000 0.443 578 A N -0.404 122.376 122.820 -0.067 0.000 1.849 578 A HA -0.149 4.172 4.320 0.002 0.000 0.217 578 A C 2.463 179.999 177.584 -0.079 0.000 1.202 578 A CA 2.442 54.443 52.037 -0.061 0.000 0.629 578 A CB -1.311 17.660 19.000 -0.048 0.000 0.834 578 A HN 0.481 nan 8.150 nan 0.000 0.447 579 S N -0.779 114.865 115.700 -0.093 0.000 2.368 579 S HA -0.260 4.211 4.470 0.002 0.000 0.226 579 S C 2.198 176.720 174.600 -0.131 0.000 1.044 579 S CA 1.773 59.907 58.200 -0.110 0.000 1.062 579 S CB -0.624 62.495 63.200 -0.134 0.000 0.931 579 S HN 0.645 nan 8.310 nan 0.000 0.440 580 Q N 0.233 119.930 119.800 -0.171 0.000 2.133 580 Q HA -0.184 4.157 4.340 0.002 0.000 0.208 580 Q C 2.581 178.501 176.000 -0.133 0.000 0.991 580 Q CA 1.374 57.060 55.803 -0.194 0.000 0.867 580 Q CB -1.081 27.499 28.738 -0.264 0.000 0.911 580 Q HN 0.765 nan 8.270 nan 0.000 0.417 581 A N 0.278 123.034 122.820 -0.106 0.000 1.873 581 A HA 0.152 4.472 4.320 0.002 0.000 0.215 581 A C 2.331 179.874 177.584 -0.068 0.000 1.186 581 A CA 1.503 53.493 52.037 -0.079 0.000 0.616 581 A CB -0.879 18.083 19.000 -0.063 0.000 0.823 581 A HN 0.604 nan 8.150 nan 0.000 0.442 582 A N -1.051 121.729 122.820 -0.067 0.000 2.248 582 A HA 0.301 4.622 4.320 0.002 0.000 0.210 582 A C 1.239 178.787 177.584 -0.061 0.000 1.174 582 A CA 0.838 52.841 52.037 -0.056 0.000 0.750 582 A CB -0.481 18.488 19.000 -0.051 0.000 0.780 582 A HN 0.454 nan 8.150 nan 0.000 0.478 583 L N -1.280 119.897 121.223 -0.075 0.000 3.358 583 L HA 0.343 4.684 4.340 0.002 0.000 0.301 583 L C 1.080 177.898 176.870 -0.086 0.000 1.276 583 L CA -0.151 54.641 54.840 -0.080 0.000 1.028 583 L CB -0.235 41.767 42.059 -0.095 0.000 1.421 583 L HN 0.445 nan 8.230 nan 0.000 0.604 584 G N 0.000 108.756 108.800 -0.074 0.000 5.446 584 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 584 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 584 G CA 0.000 45.059 45.100 -0.069 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925