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 1u0u_1_D DATA FIRST_RESID 5 DATA SEQUENCE DFEGFRKLQR ADGFASILAI GTANPPNAVD QSTYPDFYFR ITGNEHNTEL DATA SEQUENCE KDKFKRICER SAIKQRYMYL TEEILKKNPD VCAFVEVPSL DARQAMLAME DATA SEQUENCE VPRLAKEAAE KAIQEWGQSK SGITHLIFCS TTTPDLPGAD FEVAKLLGLH DATA SEQUENCE PSVKRVGVFQ HGCFAGGTVL RMAKDLAENN RGARVLVICS ETTAVTFRGP DATA SEQUENCE SETHLDSLVG QALFGDGASA LIVGADPIPQ VEKACFEIVW TAQTVVPNSE DATA SEQUENCE GAIGGKVREV GLTFQLKGAV PDLISANIEN CMVEAFSQFK ISDWNKLFWV DATA SEQUENCE VHPGGRAILD RVEAKLNLDP TKLIPTRHVM SEYGNMSSAC VHFILDQTRK DATA SEQUENCE ASLQNGCSTT GEGLEMGVLF GFGPGLTIET VVLKSVPIQ 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.284 176.300 -0.027 0.000 2.045 5 D CA 0.000 54.042 54.000 0.070 0.000 0.868 5 D CB 0.000 40.894 40.800 0.157 0.000 0.688 6 F N 1.137 121.116 119.950 0.047 0.000 2.495 6 F HA 0.388 4.915 4.527 -0.000 0.000 0.271 6 F C 1.887 177.766 175.800 0.132 0.000 0.889 6 F CA 0.435 58.478 58.000 0.071 0.000 1.129 6 F CB 0.070 39.087 39.000 0.028 0.000 1.169 6 F HN -0.191 nan 8.300 nan 0.000 0.781 7 E N 0.253 120.620 120.200 0.279 0.000 2.273 7 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 7 E C 2.180 178.852 176.600 0.120 0.000 1.002 7 E CA 1.002 57.508 56.400 0.176 0.000 0.828 7 E CB -0.419 29.357 29.700 0.127 0.000 0.747 7 E HN 0.530 nan 8.360 nan 0.000 0.491 8 G N 0.553 109.421 108.800 0.113 0.000 2.426 8 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.214 8 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.214 8 G C 1.269 176.210 174.900 0.069 0.000 1.156 8 G CA -0.017 45.126 45.100 0.071 0.000 0.802 8 G HN 0.253 nan 8.290 nan 0.000 0.534 9 F N 1.475 121.375 119.950 -0.083 0.000 2.202 9 F HA 0.039 4.566 4.527 -0.000 0.000 0.301 9 F C 2.625 178.386 175.800 -0.066 0.000 1.082 9 F CA 1.188 59.117 58.000 -0.118 0.000 1.313 9 F CB 0.138 38.986 39.000 -0.253 0.000 1.024 9 F HN -0.048 nan 8.300 nan 0.000 0.495 10 R N 0.868 121.386 120.500 0.029 0.000 2.073 10 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 10 R C 2.165 178.408 176.300 -0.095 0.000 1.120 10 R CA 1.485 57.565 56.100 -0.034 0.000 0.967 10 R CB -0.381 29.965 30.300 0.078 0.000 0.862 10 R HN 0.327 nan 8.270 nan 0.000 0.436 11 K N 0.215 120.581 120.400 -0.057 0.000 2.057 11 K HA -0.039 4.280 4.320 -0.000 0.000 0.206 11 K C 2.172 178.715 176.600 -0.096 0.000 1.050 11 K CA 1.035 57.287 56.287 -0.058 0.000 0.935 11 K CB -0.140 32.345 32.500 -0.026 0.000 0.715 11 K HN 0.100 nan 8.250 nan 0.000 0.439 12 L N 1.004 122.151 121.223 -0.127 0.000 2.201 12 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 12 L C 2.716 179.464 176.870 -0.203 0.000 1.105 12 L CA 0.968 55.722 54.840 -0.142 0.000 0.775 12 L CB -0.281 41.698 42.059 -0.133 0.000 0.913 12 L HN 0.287 nan 8.230 nan 0.000 0.440 13 Q N 0.730 120.343 119.800 -0.312 0.000 2.046 13 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 13 Q C 1.123 177.015 176.000 -0.180 0.000 0.975 13 Q CA 0.855 56.456 55.803 -0.337 0.000 0.836 13 Q CB 0.217 28.651 28.738 -0.506 0.000 0.896 13 Q HN 0.485 nan 8.270 nan 0.000 0.428 14 R N -0.341 120.076 120.500 -0.139 0.000 2.652 14 R HA 0.544 4.884 4.340 -0.000 0.000 0.271 14 R C -0.491 175.763 176.300 -0.077 0.000 1.129 14 R CA -0.009 56.035 56.100 -0.093 0.000 1.200 14 R CB 0.448 30.701 30.300 -0.080 0.000 1.146 14 R HN 0.045 nan 8.270 nan 0.000 0.581 15 A N 0.561 123.342 122.820 -0.066 0.000 2.248 15 A HA 0.302 4.622 4.320 -0.000 0.000 0.316 15 A C -0.490 177.062 177.584 -0.054 0.000 1.101 15 A CA -0.723 51.283 52.037 -0.052 0.000 0.875 15 A CB 0.745 19.720 19.000 -0.042 0.000 1.207 15 A HN 0.842 nan 8.150 nan 0.000 0.504 16 D N -0.020 120.358 120.400 -0.037 0.000 2.125 16 D HA 0.277 4.917 4.640 -0.000 0.000 0.266 16 D C 1.684 177.956 176.300 -0.045 0.000 1.124 16 D CA 1.274 55.255 54.000 -0.032 0.000 0.913 16 D CB -1.037 39.760 40.800 -0.006 0.000 0.964 16 D HN 0.669 nan 8.370 nan 0.000 0.370 17 G N -0.188 108.616 108.800 0.006 0.000 2.394 17 G HA2 0.155 4.115 3.960 -0.000 0.000 0.256 17 G HA3 0.155 4.115 3.960 -0.000 0.000 0.256 17 G C -0.414 174.480 174.900 -0.010 0.000 1.504 17 G CA -0.288 44.846 45.100 0.057 0.000 1.051 17 G HN 0.080 nan 8.290 nan 0.000 0.550 18 F N 0.338 120.294 119.950 0.009 0.000 2.375 18 F HA 0.547 5.074 4.527 -0.000 0.000 0.333 18 F C 1.061 176.863 175.800 0.003 0.000 1.104 18 F CA -0.318 57.688 58.000 0.010 0.000 1.149 18 F CB 1.208 40.218 39.000 0.017 0.000 1.190 18 F HN 0.466 nan 8.300 nan 0.000 0.533 19 A N 1.957 124.870 122.820 0.154 0.000 2.440 19 A HA 0.586 4.906 4.320 -0.000 0.000 0.251 19 A C -0.288 177.363 177.584 0.111 0.000 1.089 19 A CA -0.146 51.937 52.037 0.076 0.000 0.779 19 A CB -0.059 18.951 19.000 0.017 0.000 1.022 19 A HN 0.701 nan 8.150 nan 0.000 0.492 20 S N 0.828 116.570 115.700 0.070 0.000 2.632 20 S HA 0.593 5.062 4.470 -0.000 0.000 0.289 20 S C -0.475 174.149 174.600 0.040 0.000 1.115 20 S CA -0.516 57.730 58.200 0.076 0.000 0.889 20 S CB 1.290 64.534 63.200 0.074 0.000 1.116 20 S HN 0.575 nan 8.310 nan 0.000 0.486 21 I N 2.160 122.775 120.570 0.075 0.000 2.352 21 I HA 0.196 4.365 4.170 -0.000 0.000 0.290 21 I C 0.146 176.279 176.117 0.027 0.000 1.036 21 I CA -0.121 61.207 61.300 0.046 0.000 1.336 21 I CB 0.438 38.520 38.000 0.136 0.000 1.407 21 I HN 0.524 nan 8.210 nan 0.000 0.497 22 L N 6.707 127.911 121.223 -0.032 0.000 2.693 22 L HA 0.552 4.892 4.340 -0.000 0.000 0.235 22 L C 0.468 177.349 176.870 0.018 0.000 1.127 22 L CA -0.030 54.815 54.840 0.007 0.000 0.914 22 L CB -0.023 42.047 42.059 0.018 0.000 1.193 22 L HN 0.755 nan 8.230 nan 0.000 0.502 23 A N 0.675 123.476 122.820 -0.031 0.000 2.571 23 A HA 0.678 4.997 4.320 -0.000 0.000 0.296 23 A C -1.575 175.976 177.584 -0.056 0.000 1.005 23 A CA -0.443 51.584 52.037 -0.018 0.000 0.682 23 A CB 0.853 19.857 19.000 0.007 0.000 1.292 23 A HN 0.047 nan 8.150 nan 0.000 0.420 24 I N 1.372 121.913 120.570 -0.049 0.000 2.529 24 I HA 0.555 4.725 4.170 -0.000 0.000 0.284 24 I C 0.415 176.460 176.117 -0.119 0.000 1.088 24 I CA -0.430 60.815 61.300 -0.092 0.000 1.062 24 I CB 2.113 40.083 38.000 -0.051 0.000 1.218 24 I HN 0.906 nan 8.210 nan 0.000 0.442 25 G N 3.231 111.938 108.800 -0.156 0.000 2.432 25 G HA2 0.824 4.783 3.960 -0.000 0.000 0.331 25 G HA3 0.824 4.783 3.960 -0.000 0.000 0.331 25 G C -0.701 174.038 174.900 -0.270 0.000 1.170 25 G CA -0.503 44.500 45.100 -0.162 0.000 0.943 25 G HN 0.526 nan 8.290 nan 0.000 0.483 26 T N -2.308 112.073 114.554 -0.287 0.000 2.933 26 T HA 0.795 5.145 4.350 -0.000 0.000 0.305 26 T C -0.496 174.086 174.700 -0.196 0.000 1.092 26 T CA -0.438 61.396 62.100 -0.443 0.000 1.008 26 T CB 1.901 70.219 68.868 -0.918 0.000 1.102 26 T HN 1.554 nan 8.240 nan 0.000 0.469 27 A N 2.527 125.300 122.820 -0.078 0.000 2.515 27 A HA 0.931 5.251 4.320 -0.000 0.000 0.296 27 A C -1.014 176.630 177.584 0.100 0.000 1.094 27 A CA -0.937 51.109 52.037 0.015 0.000 0.718 27 A CB 1.566 20.574 19.000 0.014 0.000 1.307 27 A HN 0.854 nan 8.150 nan 0.000 0.408 28 N N 0.076 118.796 118.700 0.034 0.000 2.396 28 N HA 0.487 5.227 4.740 -0.000 0.000 0.275 28 N C -3.134 172.400 175.510 0.039 0.000 1.218 28 N CA -0.968 52.095 53.050 0.022 0.000 0.812 28 N CB 2.365 40.728 38.487 -0.207 0.000 1.592 28 N HN 0.298 nan 8.380 nan 0.000 0.480 29 P HA 0.178 nan 4.420 nan 0.000 0.271 29 P C -1.756 175.639 177.300 0.158 0.000 1.233 29 P CA -0.669 62.532 63.100 0.169 0.000 0.789 29 P CB 0.321 32.162 31.700 0.236 0.000 0.951 30 P HA -0.145 nan 4.420 nan 0.000 0.213 30 P C 0.148 177.555 177.300 0.179 0.000 1.170 30 P CA 1.299 64.474 63.100 0.125 0.000 0.898 30 P CB -0.317 31.433 31.700 0.082 0.000 0.787 31 N N 0.351 119.131 118.700 0.133 0.000 2.417 31 N HA 0.129 4.869 4.740 -0.000 0.000 0.272 31 N C -0.730 174.840 175.510 0.100 0.000 1.304 31 N CA 0.061 53.162 53.050 0.085 0.000 0.906 31 N CB -0.320 38.177 38.487 0.016 0.000 1.135 31 N HN -0.018 nan 8.380 nan 0.000 0.483 32 A N 3.360 126.190 122.820 0.017 0.000 2.301 32 A HA 0.496 4.816 4.320 -0.000 0.000 0.298 32 A C -0.477 176.967 177.584 -0.234 0.000 1.185 32 A CA -0.654 51.246 52.037 -0.227 0.000 0.830 32 A CB 0.766 19.643 19.000 -0.205 0.000 1.112 32 A HN 0.480 nan 8.150 nan 0.000 0.508 33 V N 4.185 123.914 119.914 -0.309 0.000 2.326 33 V HA 0.165 4.285 4.120 -0.000 0.000 0.281 33 V C -0.061 175.898 176.094 -0.226 0.000 1.015 33 V CA -0.753 61.404 62.300 -0.238 0.000 0.823 33 V CB 1.324 33.004 31.823 -0.238 0.000 1.009 33 V HN 0.981 nan 8.190 nan 0.000 0.436 34 D N 3.602 123.911 120.400 -0.151 0.000 2.417 34 D HA 0.012 4.652 4.640 -0.000 0.000 0.250 34 D C 0.905 177.172 176.300 -0.055 0.000 1.166 34 D CA 0.051 53.982 54.000 -0.114 0.000 0.881 34 D CB 1.762 42.519 40.800 -0.072 0.000 1.164 34 D HN 0.599 nan 8.370 nan 0.000 0.467 35 Q N 2.489 122.237 119.800 -0.087 0.000 2.079 35 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 35 Q C 1.997 178.013 176.000 0.026 0.000 0.974 35 Q CA 2.124 57.896 55.803 -0.051 0.000 0.840 35 Q CB -0.277 28.395 28.738 -0.110 0.000 0.898 35 Q HN 0.568 nan 8.270 nan 0.000 0.430 36 S N -2.103 113.596 115.700 -0.002 0.000 2.469 36 S HA -0.089 4.381 4.470 -0.000 0.000 0.238 36 S C 1.773 176.411 174.600 0.063 0.000 0.998 36 S CA 1.368 59.577 58.200 0.014 0.000 0.957 36 S CB -0.353 62.841 63.200 -0.009 0.000 0.764 36 S HN 0.352 nan 8.310 nan 0.000 0.514 37 T N -0.242 114.370 114.554 0.097 0.000 3.044 37 T HA 0.252 4.602 4.350 -0.000 0.000 0.260 37 T C 0.805 175.656 174.700 0.252 0.000 1.019 37 T CA -0.416 61.764 62.100 0.134 0.000 0.921 37 T CB -0.325 68.593 68.868 0.083 0.000 1.053 37 T HN 0.494 nan 8.240 nan 0.000 0.533 38 Y N 2.729 123.120 120.300 0.151 0.000 2.263 38 Y HA 0.138 4.688 4.550 -0.000 0.000 0.292 38 Y C -1.233 174.984 175.900 0.528 0.000 1.130 38 Y CA 0.637 58.917 58.100 0.301 0.000 1.179 38 Y CB -0.751 37.848 38.460 0.231 0.000 0.998 38 Y HN 0.265 nan 8.280 nan 0.000 0.532 39 P HA -0.151 nan 4.420 nan 0.000 0.216 39 P C 1.268 178.853 177.300 0.474 0.000 1.150 39 P CA 2.135 65.619 63.100 0.639 0.000 0.837 39 P CB 0.097 32.015 31.700 0.363 0.000 0.786 40 D N -1.848 118.731 120.400 0.298 0.000 2.103 40 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 40 D C 1.754 178.186 176.300 0.221 0.000 0.978 40 D CA 0.937 55.067 54.000 0.216 0.000 0.829 40 D CB -0.578 40.318 40.800 0.160 0.000 0.981 40 D HN 0.098 nan 8.370 nan 0.000 0.464 41 F N 0.961 120.962 119.950 0.085 0.000 2.075 41 F HA -0.271 4.256 4.527 -0.000 0.000 0.297 41 F C 2.355 178.146 175.800 -0.016 0.000 1.113 41 F CA 1.172 59.192 58.000 0.034 0.000 1.218 41 F CB -0.550 38.480 39.000 0.050 0.000 0.984 41 F HN -0.089 nan 8.300 nan 0.000 0.472 42 Y N -0.076 120.118 120.300 -0.177 0.000 2.207 42 Y HA -0.251 4.299 4.550 -0.000 0.000 0.287 42 Y C 1.827 177.484 175.900 -0.405 0.000 1.156 42 Y CA 1.696 59.549 58.100 -0.413 0.000 1.182 42 Y CB -1.066 37.013 38.460 -0.636 0.000 0.979 42 Y HN 0.138 nan 8.280 nan 0.000 0.521 43 F N -0.258 119.472 119.950 -0.366 0.000 2.416 43 F HA 0.046 4.573 4.527 -0.000 0.000 0.296 43 F C 2.643 178.235 175.800 -0.346 0.000 1.099 43 F CA 1.302 59.034 58.000 -0.447 0.000 1.427 43 F CB -0.317 38.524 39.000 -0.264 0.000 1.079 43 F HN -0.053 nan 8.300 nan 0.000 0.536 44 R N 0.326 120.744 120.500 -0.136 0.000 2.057 44 R HA -0.080 4.260 4.340 -0.000 0.000 0.224 44 R C 2.137 178.289 176.300 -0.247 0.000 1.136 44 R CA 1.202 57.211 56.100 -0.152 0.000 0.968 44 R CB -0.694 29.546 30.300 -0.100 0.000 0.863 44 R HN 0.190 nan 8.270 nan 0.000 0.433 45 I N 1.894 122.227 120.570 -0.396 0.000 2.657 45 I HA -0.182 3.988 4.170 -0.000 0.000 0.261 45 I C 1.174 177.134 176.117 -0.262 0.000 1.212 45 I CA 1.714 62.765 61.300 -0.414 0.000 1.453 45 I CB -0.064 37.472 38.000 -0.773 0.000 1.092 45 I HN 0.440 nan 8.210 nan 0.000 0.452 46 T N -2.808 111.554 114.554 -0.319 0.000 3.134 46 T HA 0.398 4.748 4.350 -0.000 0.000 0.260 46 T C 1.296 175.839 174.700 -0.263 0.000 1.027 46 T CA 0.040 61.960 62.100 -0.301 0.000 0.913 46 T CB -0.395 68.141 68.868 -0.553 0.000 1.046 46 T HN 0.477 nan 8.240 nan 0.000 0.553 47 G N 2.242 110.916 108.800 -0.210 0.000 2.356 47 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.296 47 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.296 47 G C 0.326 175.097 174.900 -0.216 0.000 1.022 47 G CA 0.122 45.130 45.100 -0.153 0.000 0.961 47 G HN 0.565 nan 8.290 nan 0.000 0.510 48 N N -0.367 118.156 118.700 -0.296 0.000 2.433 48 N HA 0.081 4.820 4.740 -0.000 0.000 0.270 48 N C 1.172 176.529 175.510 -0.256 0.000 1.354 48 N CA -0.434 52.355 53.050 -0.435 0.000 0.889 48 N CB 0.409 38.649 38.487 -0.413 0.000 1.285 48 N HN 0.333 nan 8.380 nan 0.000 0.503 49 E N 0.565 120.669 120.200 -0.160 0.000 2.338 49 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 49 E C 1.399 177.978 176.600 -0.034 0.000 1.007 49 E CA 0.866 57.236 56.400 -0.049 0.000 0.849 49 E CB 0.270 29.957 29.700 -0.021 0.000 0.774 49 E HN 0.611 nan 8.360 nan 0.000 0.506 50 H N -0.693 118.386 119.070 0.015 0.000 2.333 50 H HA 0.043 4.599 4.556 -0.000 0.000 0.302 50 H C 0.933 176.258 175.328 -0.005 0.000 1.075 50 H CA 0.942 56.990 56.048 -0.000 0.000 1.348 50 H CB -0.924 28.836 29.762 -0.004 0.000 1.393 50 H HN -0.075 nan 8.280 nan 0.000 0.509 51 N N 1.139 119.948 118.700 0.182 0.000 2.394 51 N HA -0.061 4.679 4.740 -0.000 0.000 0.288 51 N C 0.078 175.579 175.510 -0.015 0.000 1.272 51 N CA 0.118 53.273 53.050 0.176 0.000 1.004 51 N CB 0.311 38.880 38.487 0.137 0.000 1.393 51 N HN 0.415 nan 8.380 nan 0.000 0.488 52 T N 2.111 116.658 114.554 -0.012 0.000 2.701 52 T HA -0.132 4.217 4.350 -0.000 0.000 0.263 52 T C 1.398 176.033 174.700 -0.108 0.000 1.040 52 T CA 1.095 63.147 62.100 -0.081 0.000 1.147 52 T CB -0.064 68.782 68.868 -0.037 0.000 0.865 52 T HN 0.466 nan 8.240 nan 0.000 0.426 53 E N 0.688 120.857 120.200 -0.052 0.000 2.150 53 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 53 E C 1.875 178.449 176.600 -0.044 0.000 0.985 53 E CA 0.272 56.647 56.400 -0.042 0.000 0.814 53 E CB -0.369 29.324 29.700 -0.012 0.000 0.752 53 E HN 0.235 nan 8.360 nan 0.000 0.466 54 L N 0.788 121.987 121.223 -0.040 0.000 2.109 54 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 54 L C 1.983 178.782 176.870 -0.119 0.000 1.086 54 L CA 1.784 56.636 54.840 0.020 0.000 0.760 54 L CB -0.287 41.845 42.059 0.122 0.000 0.910 54 L HN -0.039 nan 8.230 nan 0.000 0.437 55 K N -0.866 119.208 120.400 -0.545 0.000 2.057 55 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 55 K C 1.668 178.035 176.600 -0.388 0.000 1.050 55 K CA 1.582 57.167 56.287 -1.169 0.000 0.935 55 K CB -0.101 31.675 32.500 -1.205 0.000 0.715 55 K HN 0.324 nan 8.250 nan 0.000 0.439 56 D N 0.751 121.024 120.400 -0.212 0.000 2.144 56 D HA -0.149 4.490 4.640 -0.000 0.000 0.200 56 D C 1.738 178.024 176.300 -0.023 0.000 0.978 56 D CA 1.064 55.008 54.000 -0.092 0.000 0.833 56 D CB 0.051 40.811 40.800 -0.067 0.000 0.961 56 D HN 0.214 nan 8.370 nan 0.000 0.470 57 K N -0.310 120.096 120.400 0.010 0.000 2.147 57 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 57 K C 1.988 178.686 176.600 0.164 0.000 1.049 57 K CA 0.755 57.087 56.287 0.075 0.000 0.936 57 K CB -0.188 32.367 32.500 0.091 0.000 0.722 57 K HN 0.099 nan 8.250 nan 0.000 0.446 58 F N 0.769 120.755 119.950 0.061 0.000 2.270 58 F HA -0.058 4.469 4.527 -0.000 0.000 0.295 58 F C 2.070 177.950 175.800 0.133 0.000 1.087 58 F CA 0.762 58.870 58.000 0.180 0.000 1.365 58 F CB 0.112 39.387 39.000 0.458 0.000 1.056 58 F HN -0.147 nan 8.300 nan 0.000 0.506 59 K N 1.275 121.678 120.400 0.005 0.000 2.152 59 K HA -0.162 4.157 4.320 -0.000 0.000 0.206 59 K C 1.961 178.480 176.600 -0.134 0.000 1.048 59 K CA 1.450 57.678 56.287 -0.099 0.000 0.933 59 K CB -0.293 32.188 32.500 -0.032 0.000 0.721 59 K HN 0.334 nan 8.250 nan 0.000 0.447 60 R N -0.499 119.952 120.500 -0.081 0.000 2.200 60 R HA 0.039 4.379 4.340 -0.000 0.000 0.208 60 R C 2.161 178.410 176.300 -0.085 0.000 1.033 60 R CA 0.402 56.461 56.100 -0.068 0.000 1.000 60 R CB -0.097 30.186 30.300 -0.029 0.000 0.906 60 R HN 0.046 nan 8.270 nan 0.000 0.462 61 I N 0.121 120.630 120.570 -0.103 0.000 2.546 61 I HA -0.231 3.938 4.170 -0.000 0.000 0.255 61 I C 1.917 177.927 176.117 -0.178 0.000 1.163 61 I CA 1.125 62.372 61.300 -0.088 0.000 1.457 61 I CB -0.081 37.923 38.000 0.006 0.000 1.092 61 I HN 0.162 nan 8.210 nan 0.000 0.434 62 C N -0.287 118.832 119.300 -0.302 0.000 2.505 62 C HA -0.026 4.434 4.460 -0.000 0.000 0.279 62 C C 2.506 177.399 174.990 -0.162 0.000 1.316 62 C CA 0.069 58.919 59.018 -0.281 0.000 1.720 62 C CB -0.835 26.677 27.740 -0.380 0.000 2.050 62 C HN 0.469 nan 8.230 nan 0.000 0.493 63 E N 0.701 120.821 120.200 -0.133 0.000 2.209 63 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 63 E C 2.102 178.657 176.600 -0.075 0.000 0.993 63 E CA 0.941 57.288 56.400 -0.088 0.000 0.819 63 E CB -0.168 29.491 29.700 -0.068 0.000 0.745 63 E HN 0.616 nan 8.360 nan 0.000 0.477 64 R N 0.381 120.835 120.500 -0.077 0.000 2.246 64 R HA 0.016 4.356 4.340 -0.000 0.000 0.199 64 R C 2.477 178.737 176.300 -0.067 0.000 0.984 64 R CA 0.779 56.843 56.100 -0.061 0.000 1.015 64 R CB 0.077 30.348 30.300 -0.048 0.000 0.930 64 R HN 0.114 nan 8.270 nan 0.000 0.475 65 S N 0.923 116.570 115.700 -0.088 0.000 2.440 65 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 65 S C 1.503 176.052 174.600 -0.084 0.000 1.010 65 S CA 0.797 58.941 58.200 -0.094 0.000 0.972 65 S CB -0.051 63.074 63.200 -0.125 0.000 0.774 65 S HN 0.365 nan 8.310 nan 0.000 0.501 66 A N 0.112 122.886 122.820 -0.078 0.000 2.816 66 A HA -0.167 4.153 4.320 -0.000 0.000 0.270 66 A C 0.274 177.808 177.584 -0.084 0.000 1.413 66 A CA 1.298 53.293 52.037 -0.070 0.000 0.866 66 A CB -2.521 16.446 19.000 -0.055 0.000 1.032 66 A HN 0.705 nan 8.150 nan 0.000 0.642 67 I N -0.680 119.829 120.570 -0.102 0.000 2.390 67 I HA 0.205 4.374 4.170 -0.000 0.000 0.283 67 I C 1.156 177.192 176.117 -0.135 0.000 1.016 67 I CA -0.524 60.703 61.300 -0.121 0.000 1.151 67 I CB 1.440 39.360 38.000 -0.132 0.000 1.293 67 I HN 0.237 nan 8.210 nan 0.000 0.458 68 K N 3.899 124.212 120.400 -0.145 0.000 2.186 68 K HA 0.037 4.357 4.320 -0.000 0.000 0.202 68 K C 0.625 177.114 176.600 -0.185 0.000 1.052 68 K CA 0.798 56.995 56.287 -0.149 0.000 0.965 68 K CB 0.386 32.797 32.500 -0.148 0.000 0.746 68 K HN 0.564 nan 8.250 nan 0.000 0.457 69 Q N 0.131 119.790 119.800 -0.234 0.000 2.426 69 Q HA 0.296 4.636 4.340 -0.000 0.000 0.278 69 Q C -1.766 174.027 176.000 -0.346 0.000 1.007 69 Q CA -0.708 54.908 55.803 -0.311 0.000 0.850 69 Q CB 1.945 30.456 28.738 -0.377 0.000 1.427 69 Q HN -0.008 nan 8.270 nan 0.000 0.391 70 R N 1.762 122.037 120.500 -0.374 0.000 2.651 70 R HA 0.414 4.754 4.340 -0.000 0.000 0.278 70 R C -1.587 174.528 176.300 -0.308 0.000 1.010 70 R CA -0.664 55.280 56.100 -0.260 0.000 0.896 70 R CB 1.732 31.930 30.300 -0.171 0.000 1.211 70 R HN 0.487 nan 8.270 nan 0.000 0.456 71 Y N 2.207 122.507 120.300 -0.001 0.000 2.327 71 Y HA 0.399 4.949 4.550 -0.000 0.000 0.336 71 Y C 0.497 176.424 175.900 0.045 0.000 1.035 71 Y CA -0.208 57.911 58.100 0.031 0.000 1.165 71 Y CB 1.176 39.699 38.460 0.104 0.000 1.181 71 Y HN 0.234 nan 8.280 nan 0.000 0.494 72 M N 2.710 122.397 119.600 0.145 0.000 2.465 72 M HA 0.186 4.666 4.480 -0.000 0.000 0.316 72 M C 0.120 176.513 176.300 0.155 0.000 1.121 72 M CA -0.844 54.536 55.300 0.134 0.000 0.934 72 M CB 1.724 34.364 32.600 0.066 0.000 1.692 72 M HN 0.845 nan 8.290 nan 0.000 0.444 73 Y N 3.085 123.423 120.300 0.064 0.000 2.220 73 Y HA 0.185 4.735 4.550 -0.000 0.000 0.291 73 Y C 0.149 176.063 175.900 0.024 0.000 1.129 73 Y CA 1.065 59.195 58.100 0.050 0.000 1.161 73 Y CB 0.272 38.760 38.460 0.047 0.000 0.997 73 Y HN 0.495 nan 8.280 nan 0.000 0.522 74 L N 3.120 124.290 121.223 -0.089 0.000 2.418 74 L HA 0.178 4.518 4.340 -0.000 0.000 0.274 74 L C 0.404 177.186 176.870 -0.146 0.000 1.135 74 L CA 0.124 54.829 54.840 -0.225 0.000 0.870 74 L CB 0.213 42.150 42.059 -0.203 0.000 1.154 74 L HN 0.273 nan 8.230 nan 0.000 0.462 75 T N -2.024 112.437 114.554 -0.156 0.000 2.940 75 T HA 0.201 4.551 4.350 -0.000 0.000 0.288 75 T C 0.709 175.457 174.700 0.079 0.000 1.045 75 T CA -0.866 61.219 62.100 -0.025 0.000 1.018 75 T CB 1.814 70.641 68.868 -0.069 0.000 1.151 75 T HN 0.623 nan 8.240 nan 0.000 0.529 76 E N -0.207 120.134 120.200 0.235 0.000 2.267 76 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 76 E C 1.648 178.293 176.600 0.075 0.000 0.998 76 E CA 1.201 57.748 56.400 0.246 0.000 0.830 76 E CB 0.052 29.963 29.700 0.353 0.000 0.751 76 E HN 0.758 nan 8.360 nan 0.000 0.491 77 E N 0.222 120.441 120.200 0.033 0.000 2.046 77 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 77 E C 1.828 178.410 176.600 -0.029 0.000 0.982 77 E CA 1.093 57.491 56.400 -0.003 0.000 0.800 77 E CB 0.006 29.695 29.700 -0.019 0.000 0.756 77 E HN 0.319 nan 8.360 nan 0.000 0.449 78 I N 0.149 120.678 120.570 -0.068 0.000 2.277 78 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 78 I C 2.152 178.235 176.117 -0.057 0.000 1.094 78 I CA 0.678 61.926 61.300 -0.087 0.000 1.393 78 I CB -0.199 37.684 38.000 -0.195 0.000 1.078 78 I HN 0.142 nan 8.210 nan 0.000 0.417 79 L N 0.459 121.641 121.223 -0.070 0.000 2.127 79 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 79 L C 2.557 179.408 176.870 -0.031 0.000 1.089 79 L CA 1.068 55.870 54.840 -0.063 0.000 0.757 79 L CB -0.617 41.377 42.059 -0.108 0.000 0.899 79 L HN 0.189 nan 8.230 nan 0.000 0.434 80 K N 0.758 121.142 120.400 -0.026 0.000 2.148 80 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 80 K C 1.830 178.425 176.600 -0.009 0.000 1.050 80 K CA 1.269 57.544 56.287 -0.020 0.000 0.942 80 K CB 0.001 32.495 32.500 -0.011 0.000 0.724 80 K HN 0.350 nan 8.250 nan 0.000 0.446 81 K N 0.331 120.727 120.400 -0.007 0.000 2.444 81 K HA 0.071 4.391 4.320 -0.000 0.000 0.193 81 K C 0.221 176.826 176.600 0.008 0.000 1.024 81 K CA 0.129 56.416 56.287 0.001 0.000 1.077 81 K CB 0.350 32.851 32.500 0.000 0.000 0.833 81 K HN 0.010 nan 8.250 nan 0.000 0.517 82 N N 1.071 119.777 118.700 0.010 0.000 2.765 82 N HA 0.125 4.865 4.740 -0.000 0.000 0.277 82 N C -2.496 173.036 175.510 0.036 0.000 1.750 82 N CA -1.085 51.980 53.050 0.026 0.000 0.827 82 N CB 1.521 40.029 38.487 0.035 0.000 1.200 82 N HN -0.116 nan 8.380 nan 0.000 0.494 83 P HA -0.127 nan 4.420 nan 0.000 0.215 83 P C 0.847 178.171 177.300 0.041 0.000 1.157 83 P CA 1.215 64.331 63.100 0.026 0.000 0.874 83 P CB 0.415 32.122 31.700 0.012 0.000 0.790 84 D N -0.956 119.466 120.400 0.037 0.000 2.228 84 D HA -0.116 4.524 4.640 -0.000 0.000 0.203 84 D C 1.884 178.220 176.300 0.061 0.000 0.988 84 D CA 0.872 54.894 54.000 0.036 0.000 0.864 84 D CB -0.743 40.073 40.800 0.027 0.000 0.928 84 D HN 0.032 nan 8.370 nan 0.000 0.469 85 V N 0.004 119.975 119.914 0.096 0.000 2.809 85 V HA -0.171 3.948 4.120 -0.000 0.000 0.256 85 V C 2.230 178.478 176.094 0.256 0.000 1.080 85 V CA 0.947 63.350 62.300 0.173 0.000 1.102 85 V CB 0.026 31.959 31.823 0.183 0.000 0.705 85 V HN 0.309 nan 8.190 nan 0.000 0.475 86 C N -0.307 119.106 119.300 0.188 0.000 2.495 86 C HA 0.410 4.870 4.460 -0.000 0.000 0.275 86 C C 1.705 176.718 174.990 0.039 0.000 1.392 86 C CA -0.411 58.708 59.018 0.169 0.000 1.766 86 C CB -1.140 26.655 27.740 0.092 0.000 1.933 86 C HN 0.554 nan 8.230 nan 0.000 0.519 87 A N 0.211 123.055 122.820 0.040 0.000 2.346 87 A HA 0.396 4.716 4.320 -0.000 0.000 0.255 87 A C 0.586 178.208 177.584 0.063 0.000 1.113 87 A CA -0.022 52.034 52.037 0.030 0.000 0.798 87 A CB -0.036 18.979 19.000 0.025 0.000 1.073 87 A HN 0.366 nan 8.150 nan 0.000 0.502 88 F N 0.535 120.433 119.950 -0.087 0.000 2.152 88 F HA 0.164 4.690 4.527 -0.000 0.000 0.274 88 F C 1.584 177.337 175.800 -0.078 0.000 1.136 88 F CA 2.273 60.211 58.000 -0.103 0.000 1.117 88 F CB -0.309 38.624 39.000 -0.111 0.000 1.060 88 F HN 0.398 nan 8.300 nan 0.000 0.509 89 V N -1.357 118.373 119.914 -0.306 0.000 3.382 89 V HA 0.224 4.344 4.120 -0.000 0.000 0.296 89 V C 1.347 177.371 176.094 -0.116 0.000 1.529 89 V CA 0.466 62.546 62.300 -0.367 0.000 1.048 89 V CB -0.177 31.294 31.823 -0.586 0.000 0.878 89 V HN 0.479 nan 8.190 nan 0.000 0.442 90 E N 1.577 121.769 120.200 -0.013 0.000 2.265 90 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 90 E C 0.584 177.178 176.600 -0.010 0.000 0.996 90 E CA 1.159 57.564 56.400 0.008 0.000 0.832 90 E CB 0.022 29.744 29.700 0.036 0.000 0.756 90 E HN 0.549 nan 8.360 nan 0.000 0.491 91 V N 2.811 122.712 119.914 -0.022 0.000 2.789 91 V HA 0.299 4.419 4.120 -0.000 0.000 0.311 91 V C -2.450 173.627 176.094 -0.029 0.000 1.073 91 V CA -2.112 60.178 62.300 -0.018 0.000 0.921 91 V CB 2.274 34.096 31.823 -0.003 0.000 1.009 91 V HN 0.046 nan 8.190 nan 0.000 0.426 92 P HA 0.192 nan 4.420 nan 0.000 0.271 92 P C 0.038 177.332 177.300 -0.011 0.000 1.218 92 P CA 0.032 63.118 63.100 -0.024 0.000 0.780 92 P CB 1.216 32.906 31.700 -0.017 0.000 0.901 93 S N 0.651 116.346 115.700 -0.009 0.000 2.800 93 S HA 0.033 4.502 4.470 -0.000 0.000 0.266 93 S C 1.535 176.143 174.600 0.013 0.000 1.029 93 S CA -0.454 57.752 58.200 0.010 0.000 1.302 93 S CB -0.583 62.632 63.200 0.025 0.000 1.212 93 S HN 0.270 nan 8.310 nan 0.000 0.683 94 L N 2.438 123.660 121.223 -0.000 0.000 1.978 94 L HA -0.229 4.111 4.340 -0.000 0.000 0.218 94 L C 1.809 178.680 176.870 0.001 0.000 1.075 94 L CA 2.610 57.448 54.840 -0.002 0.000 0.767 94 L CB -0.706 41.346 42.059 -0.011 0.000 0.890 94 L HN 0.279 nan 8.230 nan 0.000 0.434 95 D N -0.097 120.302 120.400 -0.001 0.000 2.149 95 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 95 D C 2.086 178.391 176.300 0.008 0.000 1.001 95 D CA 1.601 55.601 54.000 -0.001 0.000 0.849 95 D CB -0.153 40.646 40.800 -0.001 0.000 0.939 95 D HN 0.506 nan 8.370 nan 0.000 0.449 96 A N 0.668 123.499 122.820 0.018 0.000 1.898 96 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 96 A C 2.200 179.809 177.584 0.041 0.000 1.181 96 A CA 1.299 53.355 52.037 0.032 0.000 0.620 96 A CB -0.355 18.669 19.000 0.040 0.000 0.819 96 A HN 0.124 nan 8.150 nan 0.000 0.442 97 R N -1.288 119.236 120.500 0.040 0.000 2.075 97 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 97 R C 2.458 178.764 176.300 0.010 0.000 1.126 97 R CA 1.435 57.561 56.100 0.043 0.000 0.963 97 R CB -0.325 30.002 30.300 0.045 0.000 0.858 97 R HN 0.496 nan 8.270 nan 0.000 0.435 98 Q N 0.667 120.465 119.800 -0.002 0.000 2.112 98 Q HA -0.152 4.187 4.340 -0.000 0.000 0.206 98 Q C 1.990 177.974 176.000 -0.027 0.000 0.987 98 Q CA 2.243 58.032 55.803 -0.023 0.000 0.858 98 Q CB -0.323 28.400 28.738 -0.024 0.000 0.905 98 Q HN 0.399 nan 8.270 nan 0.000 0.420 99 A N -0.573 122.242 122.820 -0.008 0.000 1.930 99 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 99 A C 2.046 179.627 177.584 -0.005 0.000 1.175 99 A CA 1.608 53.642 52.037 -0.004 0.000 0.627 99 A CB -0.470 18.538 19.000 0.013 0.000 0.815 99 A HN 0.449 nan 8.150 nan 0.000 0.443 100 M N -1.196 118.408 119.600 0.007 0.000 2.132 100 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 100 M C 2.017 178.227 176.300 -0.150 0.000 1.065 100 M CA 1.173 56.464 55.300 -0.015 0.000 1.122 100 M CB -0.454 32.186 32.600 0.066 0.000 1.365 100 M HN 0.329 nan 8.290 nan 0.000 0.411 101 L N 0.518 121.673 121.223 -0.112 0.000 2.012 101 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 101 L C 2.779 179.583 176.870 -0.109 0.000 1.073 101 L CA 2.150 56.916 54.840 -0.123 0.000 0.748 101 L CB -1.249 40.762 42.059 -0.079 0.000 0.891 101 L HN 0.273 nan 8.230 nan 0.000 0.431 102 A N -1.787 120.983 122.820 -0.084 0.000 2.032 102 A HA -0.274 4.046 4.320 -0.000 0.000 0.221 102 A C 2.249 179.792 177.584 -0.068 0.000 1.165 102 A CA 2.364 54.355 52.037 -0.076 0.000 0.645 102 A CB -0.466 18.500 19.000 -0.058 0.000 0.807 102 A HN 0.427 nan 8.150 nan 0.000 0.453 103 M N -1.479 118.079 119.600 -0.071 0.000 2.556 103 M HA 0.161 4.641 4.480 -0.000 0.000 0.259 103 M C 1.807 178.062 176.300 -0.075 0.000 1.175 103 M CA 1.806 57.075 55.300 -0.052 0.000 1.202 103 M CB -0.170 32.421 32.600 -0.014 0.000 1.298 103 M HN 0.296 nan 8.290 nan 0.000 0.492 104 E N -0.296 119.802 120.200 -0.171 0.000 2.077 104 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 104 E C 1.715 178.251 176.600 -0.107 0.000 0.989 104 E CA 1.879 58.148 56.400 -0.219 0.000 0.800 104 E CB -0.559 28.723 29.700 -0.697 0.000 0.746 104 E HN 0.324 nan 8.360 nan 0.000 0.452 105 V N 1.140 121.004 119.914 -0.085 0.000 2.220 105 V HA -0.198 3.921 4.120 -0.000 0.000 0.246 105 V C -0.654 175.489 176.094 0.081 0.000 1.049 105 V CA 2.518 64.839 62.300 0.034 0.000 1.003 105 V CB -1.439 30.434 31.823 0.083 0.000 0.634 105 V HN 0.293 nan 8.190 nan 0.000 0.444 106 P HA -0.166 nan 4.420 nan 0.000 0.216 106 P C 1.766 179.079 177.300 0.022 0.000 1.150 106 P CA 1.433 64.526 63.100 -0.012 0.000 0.837 106 P CB -0.124 31.524 31.700 -0.086 0.000 0.786 107 R N -0.110 120.397 120.500 0.012 0.000 2.080 107 R HA -0.131 4.208 4.340 -0.000 0.000 0.236 107 R C 2.204 178.529 176.300 0.042 0.000 1.137 107 R CA 1.551 57.665 56.100 0.023 0.000 0.943 107 R CB -1.064 29.252 30.300 0.026 0.000 0.846 107 R HN 0.174 nan 8.270 nan 0.000 0.431 108 L N 0.195 121.450 121.223 0.055 0.000 2.083 108 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 108 L C 2.704 179.619 176.870 0.076 0.000 1.083 108 L CA 1.237 56.117 54.840 0.067 0.000 0.752 108 L CB -0.469 41.636 42.059 0.078 0.000 0.899 108 L HN 0.354 nan 8.230 nan 0.000 0.433 109 A N 0.037 122.926 122.820 0.115 0.000 1.877 109 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 109 A C 2.392 180.029 177.584 0.087 0.000 1.186 109 A CA 2.068 54.196 52.037 0.152 0.000 0.620 109 A CB -0.481 18.731 19.000 0.354 0.000 0.822 109 A HN 0.344 nan 8.150 nan 0.000 0.443 110 K N -0.280 120.157 120.400 0.062 0.000 2.057 110 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 110 K C 2.062 178.675 176.600 0.022 0.000 1.049 110 K CA 1.775 58.080 56.287 0.031 0.000 0.931 110 K CB -0.218 32.291 32.500 0.015 0.000 0.714 110 K HN 0.616 nan 8.250 nan 0.000 0.440 111 E N -0.227 119.987 120.200 0.024 0.000 2.085 111 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 111 E C 1.742 178.341 176.600 -0.001 0.000 0.994 111 E CA 1.236 57.645 56.400 0.015 0.000 0.801 111 E CB -0.108 29.606 29.700 0.022 0.000 0.743 111 E HN 0.458 nan 8.360 nan 0.000 0.453 112 A N 1.116 123.933 122.820 -0.006 0.000 1.840 112 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 112 A C 2.435 179.991 177.584 -0.047 0.000 1.198 112 A CA 1.678 53.687 52.037 -0.045 0.000 0.608 112 A CB -0.982 17.984 19.000 -0.058 0.000 0.839 112 A HN 0.393 nan 8.150 nan 0.000 0.443 113 A N 0.909 123.713 122.820 -0.026 0.000 1.948 113 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 113 A C 1.947 179.526 177.584 -0.007 0.000 1.177 113 A CA 2.043 54.064 52.037 -0.027 0.000 0.636 113 A CB -0.853 18.143 19.000 -0.006 0.000 0.815 113 A HN 0.815 nan 8.150 nan 0.000 0.449 114 E N 0.015 120.217 120.200 0.004 0.000 2.204 114 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 114 E C 1.714 178.324 176.600 0.017 0.000 0.990 114 E CA 1.402 57.812 56.400 0.017 0.000 0.821 114 E CB -0.236 29.472 29.700 0.014 0.000 0.750 114 E HN 0.649 nan 8.360 nan 0.000 0.477 115 K N 0.495 120.894 120.400 -0.002 0.000 2.137 115 K HA 0.101 4.421 4.320 -0.000 0.000 0.202 115 K C 2.264 178.865 176.600 0.002 0.000 1.052 115 K CA 0.812 57.096 56.287 -0.006 0.000 0.961 115 K CB 0.011 32.493 32.500 -0.030 0.000 0.741 115 K HN 0.181 nan 8.250 nan 0.000 0.452 116 A N 1.542 124.354 122.820 -0.014 0.000 2.015 116 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 116 A C 1.987 179.612 177.584 0.070 0.000 1.163 116 A CA 0.980 53.010 52.037 -0.011 0.000 0.646 116 A CB -0.312 18.643 19.000 -0.075 0.000 0.806 116 A HN 0.065 nan 8.150 nan 0.000 0.448 117 I N -0.354 120.273 120.570 0.095 0.000 2.233 117 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 117 I C 2.523 178.764 176.117 0.205 0.000 1.093 117 I CA 1.371 62.804 61.300 0.223 0.000 1.380 117 I CB -1.617 36.491 38.000 0.181 0.000 1.067 117 I HN 0.472 nan 8.210 nan 0.000 0.413 118 Q N 0.590 120.453 119.800 0.105 0.000 2.135 118 Q HA -0.256 4.083 4.340 -0.000 0.000 0.204 118 Q C 2.220 178.261 176.000 0.068 0.000 0.981 118 Q CA 1.838 57.679 55.803 0.064 0.000 0.856 118 Q CB 0.045 28.803 28.738 0.034 0.000 0.902 118 Q HN 0.515 nan 8.270 nan 0.000 0.425 119 E N -0.646 119.606 120.200 0.086 0.000 2.072 119 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 119 E C 1.645 178.333 176.600 0.147 0.000 0.985 119 E CA 0.939 57.389 56.400 0.082 0.000 0.801 119 E CB -0.273 29.464 29.700 0.062 0.000 0.750 119 E HN 0.443 nan 8.360 nan 0.000 0.452 120 W N 1.114 122.398 121.300 -0.027 0.000 2.338 120 W HA -0.127 4.532 4.660 -0.000 0.000 0.304 120 W C 1.475 177.981 176.519 -0.022 0.000 1.212 120 W CA 2.718 60.048 57.345 -0.024 0.000 1.264 120 W CB -0.595 28.851 29.460 -0.023 0.000 1.142 120 W HN 0.343 nan 8.180 nan 0.000 0.512 121 G N -0.070 108.728 108.800 -0.003 0.000 2.162 121 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 121 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 121 G C 0.305 174.977 174.900 -0.381 0.000 0.976 121 G CA 0.598 45.599 45.100 -0.165 0.000 0.655 121 G HN 0.407 nan 8.290 nan 0.000 0.533 122 Q N -0.131 119.238 119.800 -0.719 0.000 2.333 122 Q HA 0.681 5.021 4.340 -0.000 0.000 0.266 122 Q C 0.215 175.910 176.000 -0.508 0.000 1.053 122 Q CA -0.387 54.859 55.803 -0.928 0.000 0.890 122 Q CB 1.239 28.799 28.738 -1.963 0.000 1.337 122 Q HN 0.293 nan 8.270 nan 0.000 0.474 123 S N -0.031 115.459 115.700 -0.349 0.000 2.549 123 S HA 0.067 4.537 4.470 -0.000 0.000 0.279 123 S C 0.937 175.586 174.600 0.083 0.000 1.321 123 S CA -0.170 57.972 58.200 -0.098 0.000 1.054 123 S CB 0.393 63.545 63.200 -0.080 0.000 0.899 123 S HN 0.461 nan 8.310 nan 0.000 0.497 124 K N 2.610 123.088 120.400 0.130 0.000 2.113 124 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 124 K C 2.144 178.837 176.600 0.155 0.000 1.047 124 K CA 1.779 58.174 56.287 0.180 0.000 0.928 124 K CB -0.297 32.267 32.500 0.107 0.000 0.716 124 K HN 0.596 nan 8.250 nan 0.000 0.446 125 S N 0.434 116.189 115.700 0.092 0.000 2.440 125 S HA -0.124 4.346 4.470 -0.000 0.000 0.238 125 S C 1.885 176.508 174.600 0.039 0.000 1.010 125 S CA 1.212 59.441 58.200 0.048 0.000 0.972 125 S CB -0.265 62.936 63.200 0.002 0.000 0.774 125 S HN 0.582 nan 8.310 nan 0.000 0.501 126 G N 0.564 109.440 108.800 0.126 0.000 2.813 126 G HA2 0.207 4.167 3.960 -0.000 0.000 0.209 126 G HA3 0.207 4.167 3.960 -0.000 0.000 0.209 126 G C 0.388 175.437 174.900 0.249 0.000 1.150 126 G CA -0.284 44.930 45.100 0.190 0.000 0.785 126 G HN 0.429 nan 8.290 nan 0.000 0.535 127 I N 2.033 122.725 120.570 0.203 0.000 2.416 127 I HA 0.119 4.289 4.170 -0.000 0.000 0.288 127 I C 1.771 177.912 176.117 0.039 0.000 1.051 127 I CA -0.015 61.339 61.300 0.090 0.000 1.375 127 I CB 1.710 39.742 38.000 0.053 0.000 1.407 127 I HN 0.112 nan 8.210 nan 0.000 0.516 128 T N 1.802 116.364 114.554 0.013 0.000 3.034 128 T HA 0.168 4.518 4.350 -0.000 0.000 0.248 128 T C 0.742 175.265 174.700 -0.294 0.000 1.040 128 T CA 0.304 62.335 62.100 -0.116 0.000 1.107 128 T CB 0.171 68.975 68.868 -0.106 0.000 0.932 128 T HN 0.477 nan 8.240 nan 0.000 0.474 129 H N 0.023 119.083 119.070 -0.016 0.000 2.797 129 H HA 0.737 5.293 4.556 -0.000 0.000 0.372 129 H C -1.623 173.686 175.328 -0.032 0.000 1.168 129 H CA -1.020 55.017 56.048 -0.019 0.000 1.163 129 H CB 2.469 32.211 29.762 -0.034 0.000 1.778 129 H HN 0.130 nan 8.280 nan 0.000 0.551 130 L N 2.442 123.731 121.223 0.110 0.000 2.476 130 L HA 0.418 4.758 4.340 -0.000 0.000 0.269 130 L C -1.498 175.405 176.870 0.056 0.000 0.965 130 L CA -0.284 54.592 54.840 0.060 0.000 0.845 130 L CB 1.115 43.209 42.059 0.059 0.000 1.259 130 L HN 0.520 nan 8.230 nan 0.000 0.403 131 I N 5.613 126.188 120.570 0.008 0.000 2.359 131 I HA 0.300 4.470 4.170 -0.000 0.000 0.284 131 I C -1.088 175.003 176.117 -0.043 0.000 1.018 131 I CA -0.436 60.841 61.300 -0.038 0.000 1.173 131 I CB 1.176 39.117 38.000 -0.098 0.000 1.326 131 I HN 0.535 nan 8.210 nan 0.000 0.462 132 F N 7.298 127.171 119.950 -0.128 0.000 2.421 132 F HA 0.571 5.098 4.527 -0.000 0.000 0.337 132 F C -0.366 175.298 175.800 -0.227 0.000 1.105 132 F CA -0.528 57.409 58.000 -0.106 0.000 1.049 132 F CB 1.222 40.226 39.000 0.007 0.000 1.139 132 F HN 0.453 nan 8.300 nan 0.000 0.479 133 C N 5.469 124.165 119.300 -1.005 0.000 2.431 133 C HA 0.829 5.288 4.460 -0.000 0.000 0.321 133 C C -1.037 173.647 174.990 -0.511 0.000 1.202 133 C CA -0.148 58.493 59.018 -0.629 0.000 1.398 133 C CB 0.310 27.788 27.740 -0.438 0.000 2.047 133 C HN 0.882 nan 8.230 nan 0.000 0.465 134 S N 3.043 118.732 115.700 -0.017 0.000 2.533 134 S HA 0.394 4.864 4.470 -0.000 0.000 0.271 134 S C 0.807 175.533 174.600 0.211 0.000 1.143 134 S CA -0.085 58.215 58.200 0.166 0.000 0.891 134 S CB 1.818 65.302 63.200 0.473 0.000 1.105 134 S HN 0.844 nan 8.310 nan 0.000 0.468 135 T N 2.548 117.144 114.554 0.071 0.000 2.685 135 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 135 T C 0.963 175.730 174.700 0.112 0.000 1.034 135 T CA 2.191 64.314 62.100 0.039 0.000 1.149 135 T CB -0.428 68.415 68.868 -0.042 0.000 0.860 135 T HN 0.952 nan 8.240 nan 0.000 0.449 136 T N -2.269 112.352 114.554 0.113 0.000 2.816 136 T HA 0.580 4.930 4.350 -0.000 0.000 0.299 136 T C -1.057 173.595 174.700 -0.081 0.000 1.230 136 T CA -0.828 61.300 62.100 0.046 0.000 1.007 136 T CB 2.489 71.354 68.868 -0.005 0.000 1.289 136 T HN -0.119 nan 8.240 nan 0.000 0.508 137 T N 2.029 116.410 114.554 -0.289 0.000 3.011 137 T HA 0.525 4.875 4.350 -0.000 0.000 0.303 137 T C -1.791 172.737 174.700 -0.287 0.000 0.997 137 T CA -1.391 60.430 62.100 -0.464 0.000 1.007 137 T CB 1.601 69.738 68.868 -1.218 0.000 1.017 137 T HN 0.573 nan 8.240 nan 0.000 0.443 138 P HA 0.036 nan 4.420 nan 0.000 0.218 138 P C -0.155 177.071 177.300 -0.123 0.000 1.148 138 P CA 1.161 64.184 63.100 -0.128 0.000 0.822 138 P CB 0.469 32.111 31.700 -0.097 0.000 0.784 139 D N -1.200 119.111 120.400 -0.149 0.000 2.904 139 D HA 0.410 5.050 4.640 -0.000 0.000 0.290 139 D C -0.396 175.824 176.300 -0.132 0.000 1.180 139 D CA -0.497 53.432 54.000 -0.119 0.000 1.065 139 D CB 0.808 41.551 40.800 -0.094 0.000 1.386 139 D HN -0.163 nan 8.370 nan 0.000 0.599 140 L N 1.971 123.129 121.223 -0.108 0.000 2.406 140 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 140 L C -2.188 174.597 176.870 -0.142 0.000 0.980 140 L CA -1.258 53.517 54.840 -0.107 0.000 0.831 140 L CB 1.327 43.336 42.059 -0.084 0.000 1.253 140 L HN 0.255 nan 8.230 nan 0.000 0.406 141 P HA 0.236 nan 4.420 nan 0.000 0.275 141 P C 0.219 177.477 177.300 -0.070 0.000 1.228 141 P CA -0.176 62.833 63.100 -0.152 0.000 0.786 141 P CB 1.315 32.804 31.700 -0.351 0.000 0.927 142 G N 0.616 109.400 108.800 -0.027 0.000 2.712 142 G HA2 0.224 4.184 3.960 -0.000 0.000 0.258 142 G HA3 0.224 4.184 3.960 -0.000 0.000 0.258 142 G C 1.149 175.989 174.900 -0.100 0.000 1.241 142 G CA 0.016 45.043 45.100 -0.123 0.000 0.923 142 G HN 0.589 nan 8.290 nan 0.000 0.548 143 A N -0.240 122.424 122.820 -0.261 0.000 2.076 143 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 143 A C 2.069 179.256 177.584 -0.663 0.000 1.160 143 A CA 2.143 53.868 52.037 -0.519 0.000 0.653 143 A CB -0.491 18.011 19.000 -0.829 0.000 0.801 143 A HN 0.762 nan 8.150 nan 0.000 0.455 144 D N -0.567 119.656 120.400 -0.295 0.000 2.123 144 D HA -0.245 4.395 4.640 -0.000 0.000 0.196 144 D C 1.769 178.046 176.300 -0.039 0.000 0.992 144 D CA 1.539 55.486 54.000 -0.089 0.000 0.833 144 D CB -0.759 40.157 40.800 0.193 0.000 0.954 144 D HN 0.489 nan 8.370 nan 0.000 0.455 145 F N 2.092 121.987 119.950 -0.090 0.000 2.084 145 F HA -0.128 4.399 4.527 -0.000 0.000 0.296 145 F C 2.271 178.012 175.800 -0.099 0.000 1.111 145 F CA 1.383 59.340 58.000 -0.070 0.000 1.224 145 F CB -0.086 38.881 39.000 -0.055 0.000 0.991 145 F HN -0.268 nan 8.300 nan 0.000 0.471 146 E N 0.309 120.464 120.200 -0.075 0.000 2.209 146 E HA -0.146 4.203 4.350 -0.000 0.000 0.196 146 E C 2.500 178.959 176.600 -0.235 0.000 0.993 146 E CA 1.156 57.458 56.400 -0.164 0.000 0.819 146 E CB -0.794 28.864 29.700 -0.071 0.000 0.745 146 E HN 0.384 nan 8.360 nan 0.000 0.477 147 V N 1.097 120.859 119.914 -0.253 0.000 2.346 147 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 147 V C 2.328 178.335 176.094 -0.144 0.000 1.037 147 V CA 1.583 63.778 62.300 -0.175 0.000 1.029 147 V CB -0.677 31.057 31.823 -0.148 0.000 0.663 147 V HN 0.242 nan 8.190 nan 0.000 0.454 148 A N -0.416 122.297 122.820 -0.178 0.000 2.070 148 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 148 A C 2.308 179.757 177.584 -0.224 0.000 1.159 148 A CA 1.987 53.927 52.037 -0.162 0.000 0.656 148 A CB -0.399 18.509 19.000 -0.153 0.000 0.800 148 A HN 0.525 nan 8.150 nan 0.000 0.453 149 K N -0.206 119.987 120.400 -0.345 0.000 2.044 149 K HA 0.055 4.375 4.320 -0.000 0.000 0.204 149 K C 1.746 178.240 176.600 -0.177 0.000 1.049 149 K CA 0.905 56.997 56.287 -0.324 0.000 0.945 149 K CB -0.256 31.969 32.500 -0.458 0.000 0.724 149 K HN 0.452 nan 8.250 nan 0.000 0.440 150 L N 1.160 122.295 121.223 -0.147 0.000 2.191 150 L HA -0.126 4.213 4.340 -0.000 0.000 0.212 150 L C 2.017 178.853 176.870 -0.058 0.000 1.103 150 L CA 0.762 55.551 54.840 -0.084 0.000 0.769 150 L CB -0.103 41.916 42.059 -0.066 0.000 0.908 150 L HN 0.245 nan 8.230 nan 0.000 0.438 151 L N -0.895 120.290 121.223 -0.063 0.000 2.529 151 L HA 0.175 4.515 4.340 -0.000 0.000 0.223 151 L C 1.391 178.244 176.870 -0.028 0.000 1.113 151 L CA 0.426 55.247 54.840 -0.032 0.000 0.861 151 L CB -0.314 41.733 42.059 -0.020 0.000 1.012 151 L HN 0.412 nan 8.230 nan 0.000 0.461 152 G N 1.263 110.031 108.800 -0.053 0.000 2.221 152 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.265 152 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.265 152 G C 0.237 175.124 174.900 -0.021 0.000 1.041 152 G CA -0.097 44.978 45.100 -0.042 0.000 0.807 152 G HN 0.215 nan 8.290 nan 0.000 0.502 153 L N -0.401 120.803 121.223 -0.032 0.000 2.467 153 L HA 0.276 4.616 4.340 -0.000 0.000 0.270 153 L C 1.433 178.310 176.870 0.012 0.000 1.205 153 L CA -0.866 53.979 54.840 0.008 0.000 0.828 153 L CB 0.391 42.447 42.059 -0.004 0.000 1.101 153 L HN 0.390 nan 8.230 nan 0.000 0.479 154 H N 4.423 123.481 119.070 -0.020 0.000 3.094 154 H HA -0.026 4.530 4.556 -0.000 0.000 0.320 154 H C -1.509 173.803 175.328 -0.027 0.000 1.000 154 H CA -0.855 55.181 56.048 -0.019 0.000 1.413 154 H CB 0.697 30.452 29.762 -0.012 0.000 1.405 154 H HN 0.253 nan 8.280 nan 0.000 0.586 155 P HA -0.126 nan 4.420 nan 0.000 0.223 155 P C 0.566 177.729 177.300 -0.229 0.000 1.144 155 P CA 1.106 64.004 63.100 -0.337 0.000 0.783 155 P CB 0.462 31.974 31.700 -0.314 0.000 0.771 156 S N -0.839 114.713 115.700 -0.247 0.000 2.556 156 S HA 0.112 4.582 4.470 -0.000 0.000 0.216 156 S C 0.706 175.362 174.600 0.093 0.000 0.970 156 S CA -0.350 57.882 58.200 0.054 0.000 0.912 156 S CB -0.230 63.105 63.200 0.225 0.000 0.790 156 S HN -0.078 nan 8.310 nan 0.000 0.504 157 V N 3.465 123.425 119.914 0.077 0.000 2.557 157 V HA -0.012 4.107 4.120 -0.000 0.000 0.301 157 V C 0.463 176.544 176.094 -0.022 0.000 1.026 157 V CA 0.396 62.706 62.300 0.016 0.000 1.137 157 V CB 0.149 31.987 31.823 0.024 0.000 0.917 157 V HN 0.291 nan 8.190 nan 0.000 0.484 158 K N 6.862 127.200 120.400 -0.103 0.000 2.315 158 K HA 0.292 4.612 4.320 -0.000 0.000 0.291 158 K C 0.120 176.740 176.600 0.034 0.000 1.074 158 K CA -0.056 56.201 56.287 -0.050 0.000 0.936 158 K CB 0.463 32.893 32.500 -0.117 0.000 1.049 158 K HN 0.591 nan 8.250 nan 0.000 0.471 159 R N 1.194 121.729 120.500 0.058 0.000 2.674 159 R HA 0.632 4.972 4.340 -0.000 0.000 0.266 159 R C -0.820 175.528 176.300 0.080 0.000 1.016 159 R CA -1.054 55.094 56.100 0.079 0.000 1.062 159 R CB 1.695 32.051 30.300 0.093 0.000 1.142 159 R HN 0.261 nan 8.270 nan 0.000 0.517 160 V N 0.205 120.161 119.914 0.070 0.000 2.823 160 V HA 0.512 4.632 4.120 -0.000 0.000 0.296 160 V C -1.152 174.928 176.094 -0.023 0.000 1.250 160 V CA -0.402 61.916 62.300 0.031 0.000 0.939 160 V CB 1.960 33.784 31.823 0.002 0.000 1.062 160 V HN 0.906 nan 8.190 nan 0.000 0.433 161 G N 4.396 113.157 108.800 -0.064 0.000 2.368 161 G HA2 0.591 4.551 3.960 -0.000 0.000 0.320 161 G HA3 0.591 4.551 3.960 -0.000 0.000 0.320 161 G C -0.514 173.896 174.900 -0.817 0.000 1.158 161 G CA -0.080 44.764 45.100 -0.426 0.000 0.912 161 G HN 1.654 nan 8.290 nan 0.000 0.456 162 V N 1.610 120.939 119.914 -0.975 0.000 2.294 162 V HA 0.779 4.899 4.120 -0.000 0.000 0.272 162 V C -1.166 174.402 176.094 -0.877 0.000 1.027 162 V CA -1.079 60.718 62.300 -0.840 0.000 0.823 162 V CB -0.333 30.993 31.823 -0.829 0.000 1.030 162 V HN 0.358 nan 8.190 nan 0.000 0.457 163 F N 2.845 122.821 119.950 0.043 0.000 2.507 163 F HA 0.633 5.159 4.527 -0.000 0.000 0.327 163 F C 0.904 176.834 175.800 0.217 0.000 1.068 163 F CA -0.955 57.107 58.000 0.104 0.000 0.965 163 F CB 1.712 40.768 39.000 0.094 0.000 1.192 163 F HN 0.624 nan 8.300 nan 0.000 0.476 164 Q N 0.300 120.283 119.800 0.305 0.000 2.451 164 Q HA -0.269 4.070 4.340 -0.000 0.000 0.305 164 Q C -0.041 176.029 176.000 0.117 0.000 1.345 164 Q CA 0.601 56.503 55.803 0.165 0.000 0.854 164 Q CB -1.321 27.498 28.738 0.136 0.000 1.162 164 Q HN 0.743 nan 8.270 nan 0.000 0.440 165 H N -1.401 117.581 119.070 -0.147 0.000 2.460 165 H HA 0.346 4.902 4.556 -0.000 0.000 0.297 165 H C 1.381 176.356 175.328 -0.588 0.000 1.023 165 H CA 1.568 57.423 56.048 -0.322 0.000 1.321 165 H CB 0.733 30.217 29.762 -0.463 0.000 1.455 165 H HN 0.589 nan 8.280 nan 0.000 0.539 166 G N -0.889 107.701 108.800 -0.350 0.000 2.384 166 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.204 166 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.204 166 G C 0.776 175.435 174.900 -0.402 0.000 1.237 166 G CA -0.297 44.612 45.100 -0.318 0.000 1.060 166 G HN 0.309 nan 8.290 nan 0.000 0.514 167 C N 0.862 120.014 119.300 -0.246 0.000 2.485 167 C HA 0.202 4.662 4.460 -0.000 0.000 0.283 167 C C 2.143 176.909 174.990 -0.373 0.000 1.478 167 C CA 1.617 60.447 59.018 -0.313 0.000 1.741 167 C CB -2.345 25.294 27.740 -0.168 0.000 1.675 167 C HN 0.611 nan 8.230 nan 0.000 0.573 168 F N -0.411 119.456 119.950 -0.139 0.000 2.695 168 F HA 0.537 5.064 4.527 -0.000 0.000 0.303 168 F C 1.782 177.524 175.800 -0.097 0.000 1.091 168 F CA 0.071 58.001 58.000 -0.116 0.000 1.300 168 F CB -1.032 37.971 39.000 0.004 0.000 1.071 168 F HN -0.033 nan 8.300 nan 0.000 0.578 169 A N 1.596 124.153 122.820 -0.438 0.000 1.972 169 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 169 A C 2.455 179.956 177.584 -0.139 0.000 1.169 169 A CA 1.529 53.392 52.037 -0.290 0.000 0.635 169 A CB -1.658 17.107 19.000 -0.392 0.000 0.810 169 A HN 0.521 nan 8.150 nan 0.000 0.446 170 G N -0.801 107.900 108.800 -0.164 0.000 2.479 170 G HA2 0.014 3.974 3.960 -0.000 0.000 0.220 170 G HA3 0.014 3.974 3.960 -0.000 0.000 0.220 170 G C 1.296 176.121 174.900 -0.124 0.000 1.115 170 G CA 1.257 46.244 45.100 -0.188 0.000 0.757 170 G HN 0.712 nan 8.290 nan 0.000 0.560 171 G N -0.234 108.530 108.800 -0.060 0.000 2.595 171 G HA2 0.019 3.978 3.960 -0.000 0.000 0.213 171 G HA3 0.019 3.978 3.960 -0.000 0.000 0.213 171 G C 1.841 176.749 174.900 0.012 0.000 1.141 171 G CA 1.504 46.589 45.100 -0.025 0.000 0.806 171 G HN 0.510 nan 8.290 nan 0.000 0.530 172 T N -0.465 114.124 114.554 0.057 0.000 2.904 172 T HA -0.063 4.286 4.350 -0.000 0.000 0.267 172 T C 2.294 176.976 174.700 -0.031 0.000 1.059 172 T CA 1.518 63.645 62.100 0.045 0.000 1.137 172 T CB -0.251 68.693 68.868 0.126 0.000 0.879 172 T HN -0.035 nan 8.240 nan 0.000 0.467 173 V N 1.360 121.245 119.914 -0.049 0.000 2.515 173 V HA 0.012 4.132 4.120 -0.000 0.000 0.250 173 V C 2.754 178.815 176.094 -0.055 0.000 1.058 173 V CA 1.339 63.594 62.300 -0.075 0.000 1.064 173 V CB -0.686 31.089 31.823 -0.080 0.000 0.675 173 V HN 0.468 nan 8.190 nan 0.000 0.461 174 L N -0.208 121.010 121.223 -0.009 0.000 2.093 174 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 174 L C 2.713 179.555 176.870 -0.046 0.000 1.085 174 L CA 1.710 56.540 54.840 -0.016 0.000 0.755 174 L CB -0.522 41.548 42.059 0.019 0.000 0.904 174 L HN 0.289 nan 8.230 nan 0.000 0.435 175 R N 0.371 120.838 120.500 -0.055 0.000 2.092 175 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 175 R C 2.216 178.465 176.300 -0.084 0.000 1.119 175 R CA 1.435 57.488 56.100 -0.079 0.000 0.970 175 R CB -0.115 30.133 30.300 -0.086 0.000 0.864 175 R HN 0.263 nan 8.270 nan 0.000 0.440 176 M N -0.159 119.392 119.600 -0.081 0.000 2.236 176 M HA 0.046 4.526 4.480 -0.000 0.000 0.266 176 M C 2.428 178.662 176.300 -0.110 0.000 1.070 176 M CA 1.433 56.678 55.300 -0.090 0.000 1.137 176 M CB -0.027 32.519 32.600 -0.092 0.000 1.378 176 M HN 0.316 nan 8.290 nan 0.000 0.426 177 A N 0.738 123.493 122.820 -0.108 0.000 1.898 177 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 177 A C 2.161 179.673 177.584 -0.119 0.000 1.181 177 A CA 1.854 53.816 52.037 -0.125 0.000 0.620 177 A CB -0.624 18.307 19.000 -0.114 0.000 0.819 177 A HN 0.451 nan 8.150 nan 0.000 0.442 178 K N -0.384 119.964 120.400 -0.086 0.000 2.063 178 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 178 K C 1.274 177.818 176.600 -0.094 0.000 1.048 178 K CA 1.923 58.170 56.287 -0.066 0.000 0.928 178 K CB -0.254 32.224 32.500 -0.037 0.000 0.713 178 K HN 0.347 nan 8.250 nan 0.000 0.442 179 D N 0.713 121.049 120.400 -0.106 0.000 2.144 179 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 179 D C 1.879 178.095 176.300 -0.140 0.000 0.978 179 D CA 0.910 54.843 54.000 -0.112 0.000 0.833 179 D CB 0.000 40.740 40.800 -0.101 0.000 0.961 179 D HN 0.219 nan 8.370 nan 0.000 0.470 180 L N 0.081 121.188 121.223 -0.193 0.000 2.093 180 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 180 L C 2.234 178.908 176.870 -0.326 0.000 1.085 180 L CA 1.075 55.719 54.840 -0.327 0.000 0.755 180 L CB -0.366 41.389 42.059 -0.507 0.000 0.904 180 L HN 0.013 nan 8.230 nan 0.000 0.435 181 A N -0.646 122.040 122.820 -0.223 0.000 2.132 181 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 181 A C 1.991 179.518 177.584 -0.095 0.000 1.154 181 A CA 0.609 52.559 52.037 -0.144 0.000 0.753 181 A CB -0.102 18.834 19.000 -0.105 0.000 0.826 181 A HN 0.366 nan 8.150 nan 0.000 0.469 182 E N -0.737 119.401 120.200 -0.103 0.000 2.400 182 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 182 E C 1.307 177.853 176.600 -0.091 0.000 1.012 182 E CA 0.051 56.393 56.400 -0.096 0.000 0.875 182 E CB 0.056 29.686 29.700 -0.117 0.000 0.859 182 E HN 0.645 nan 8.360 nan 0.000 0.498 183 N N 0.543 119.189 118.700 -0.090 0.000 2.236 183 N HA 0.028 4.768 4.740 -0.000 0.000 0.196 183 N C -0.529 174.944 175.510 -0.062 0.000 1.114 183 N CA 0.086 53.092 53.050 -0.074 0.000 0.859 183 N CB 0.470 38.918 38.487 -0.065 0.000 0.982 183 N HN 0.000 nan 8.380 nan 0.000 0.493 184 N N 1.468 120.136 118.700 -0.055 0.000 2.617 184 N HA 0.074 4.814 4.740 -0.000 0.000 0.263 184 N C -1.043 174.456 175.510 -0.018 0.000 1.074 184 N CA -0.328 52.712 53.050 -0.018 0.000 0.841 184 N CB 1.792 40.321 38.487 0.070 0.000 1.221 184 N HN 0.165 nan 8.380 nan 0.000 0.529 185 R N 0.648 121.122 120.500 -0.043 0.000 2.504 185 R HA 0.059 4.398 4.340 -0.000 0.000 0.291 185 R C 1.090 177.385 176.300 -0.008 0.000 0.974 185 R CA 1.672 57.751 56.100 -0.035 0.000 1.077 185 R CB -0.087 30.178 30.300 -0.058 0.000 0.926 185 R HN 0.809 nan 8.270 nan 0.000 0.407 186 G N 2.159 110.964 108.800 0.009 0.000 2.205 186 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 186 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.261 186 G C 0.245 175.181 174.900 0.059 0.000 0.980 186 G CA 0.186 45.305 45.100 0.032 0.000 0.632 186 G HN 0.982 nan 8.290 nan 0.000 0.533 187 A N -0.031 122.827 122.820 0.062 0.000 2.507 187 A HA 0.613 4.933 4.320 -0.000 0.000 0.235 187 A C 0.732 178.364 177.584 0.081 0.000 1.070 187 A CA 0.590 52.695 52.037 0.113 0.000 0.768 187 A CB 0.269 19.355 19.000 0.143 0.000 1.011 187 A HN 0.494 nan 8.150 nan 0.000 0.502 188 R N 1.198 121.757 120.500 0.097 0.000 2.539 188 R HA 0.364 4.704 4.340 -0.000 0.000 0.295 188 R C -1.669 174.606 176.300 -0.043 0.000 1.138 188 R CA -0.456 55.630 56.100 -0.024 0.000 0.936 188 R CB 1.282 31.574 30.300 -0.014 0.000 1.182 188 R HN 0.471 nan 8.270 nan 0.000 0.459 189 V N 4.035 123.891 119.914 -0.096 0.000 2.432 189 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 189 V C 0.210 176.204 176.094 -0.165 0.000 1.043 189 V CA -0.919 61.336 62.300 -0.076 0.000 0.925 189 V CB 1.510 33.265 31.823 -0.114 0.000 0.985 189 V HN 0.457 nan 8.190 nan 0.000 0.466 190 L N 6.862 128.012 121.223 -0.121 0.000 2.257 190 L HA 0.544 4.883 4.340 -0.000 0.000 0.290 190 L C -0.292 176.507 176.870 -0.119 0.000 1.044 190 L CA 0.292 55.043 54.840 -0.148 0.000 0.810 190 L CB 1.308 43.309 42.059 -0.097 0.000 1.193 190 L HN 0.458 nan 8.230 nan 0.000 0.425 191 V N 7.402 127.213 119.914 -0.172 0.000 2.347 191 V HA 0.477 4.597 4.120 -0.000 0.000 0.280 191 V C 0.106 176.067 176.094 -0.222 0.000 1.021 191 V CA -0.323 61.859 62.300 -0.197 0.000 0.847 191 V CB 1.251 32.917 31.823 -0.260 0.000 0.990 191 V HN 0.613 nan 8.190 nan 0.000 0.444 192 I N 4.291 124.736 120.570 -0.208 0.000 2.466 192 I HA 0.451 4.621 4.170 -0.000 0.000 0.289 192 I C -0.747 175.102 176.117 -0.446 0.000 1.026 192 I CA -0.277 60.873 61.300 -0.249 0.000 1.078 192 I CB 2.047 39.994 38.000 -0.089 0.000 1.249 192 I HN 0.486 nan 8.210 nan 0.000 0.429 193 C N 4.094 123.215 119.300 -0.299 0.000 2.321 193 C HA 0.509 4.969 4.460 -0.000 0.000 0.323 193 C C 0.379 175.261 174.990 -0.180 0.000 1.191 193 C CA -0.494 58.360 59.018 -0.273 0.000 1.455 193 C CB 0.530 28.252 27.740 -0.029 0.000 2.083 193 C HN 0.750 nan 8.230 nan 0.000 0.442 194 S N 3.259 118.806 115.700 -0.254 0.000 2.552 194 S HA 0.606 5.076 4.470 -0.000 0.000 0.314 194 S C -0.888 173.726 174.600 0.024 0.000 1.099 194 S CA -0.295 57.894 58.200 -0.018 0.000 1.070 194 S CB 0.409 63.704 63.200 0.158 0.000 0.998 194 S HN 0.755 nan 8.310 nan 0.000 0.474 195 E N 2.189 122.411 120.200 0.038 0.000 2.272 195 E HA 0.428 4.778 4.350 -0.000 0.000 0.269 195 E C -0.979 175.643 176.600 0.038 0.000 0.877 195 E CA -0.632 55.784 56.400 0.026 0.000 0.755 195 E CB 2.092 31.794 29.700 0.002 0.000 1.192 195 E HN 0.518 nan 8.360 nan 0.000 0.422 196 T N -0.365 114.202 114.554 0.021 0.000 2.912 196 T HA 0.256 4.606 4.350 -0.000 0.000 0.299 196 T C 0.672 175.397 174.700 0.042 0.000 1.052 196 T CA -0.392 61.730 62.100 0.036 0.000 0.996 196 T CB 1.139 69.992 68.868 -0.025 0.000 1.070 196 T HN 0.470 nan 8.240 nan 0.000 0.465 197 T N 1.385 115.999 114.554 0.100 0.000 3.148 197 T HA 0.214 4.564 4.350 -0.000 0.000 0.253 197 T C 2.105 176.907 174.700 0.170 0.000 1.134 197 T CA 0.619 62.794 62.100 0.124 0.000 1.051 197 T CB -0.269 68.726 68.868 0.211 0.000 0.959 197 T HN 0.667 nan 8.240 nan 0.000 0.525 198 A N 0.906 123.816 122.820 0.151 0.000 2.076 198 A HA 0.060 4.380 4.320 -0.000 0.000 0.220 198 A C 2.409 180.072 177.584 0.131 0.000 1.160 198 A CA 1.342 53.481 52.037 0.170 0.000 0.653 198 A CB -0.850 18.238 19.000 0.146 0.000 0.801 198 A HN 0.491 nan 8.150 nan 0.000 0.455 199 V N -1.648 118.312 119.914 0.077 0.000 3.174 199 V HA -0.031 4.088 4.120 -0.000 0.000 0.254 199 V C 2.162 178.292 176.094 0.060 0.000 1.120 199 V CA 2.426 64.755 62.300 0.048 0.000 1.114 199 V CB -0.088 31.737 31.823 0.003 0.000 0.756 199 V HN 0.540 nan 8.190 nan 0.000 0.467 200 T N -0.226 114.374 114.554 0.076 0.000 3.033 200 T HA 0.184 4.534 4.350 -0.000 0.000 0.248 200 T C 0.437 175.238 174.700 0.170 0.000 1.040 200 T CA -0.087 62.058 62.100 0.075 0.000 1.133 200 T CB -0.169 68.675 68.868 -0.040 0.000 0.895 200 T HN 0.388 nan 8.240 nan 0.000 0.465 201 F N 4.970 124.978 119.950 0.096 0.000 2.623 201 F HA 0.173 4.700 4.527 -0.000 0.000 0.386 201 F C 0.702 176.579 175.800 0.129 0.000 1.068 201 F CA -0.008 58.072 58.000 0.132 0.000 1.265 201 F CB 0.275 39.367 39.000 0.153 0.000 1.026 201 F HN 0.120 nan 8.300 nan 0.000 0.568 202 R N 4.164 124.405 120.500 -0.432 0.000 2.712 202 R HA 0.590 4.930 4.340 -0.000 0.000 0.272 202 R C -0.448 175.677 176.300 -0.292 0.000 1.032 202 R CA -0.770 55.203 56.100 -0.211 0.000 0.874 202 R CB 0.267 30.560 30.300 -0.012 0.000 1.256 202 R HN 0.807 nan 8.270 nan 0.000 0.468 203 G N 1.074 109.802 108.800 -0.120 0.000 2.732 203 G HA2 0.303 4.263 3.960 -0.000 0.000 0.244 203 G HA3 0.303 4.263 3.960 -0.000 0.000 0.244 203 G C -2.144 172.653 174.900 -0.172 0.000 1.226 203 G CA -0.820 44.155 45.100 -0.208 0.000 0.860 203 G HN 0.570 nan 8.290 nan 0.000 0.583 204 P HA 0.382 nan 4.420 nan 0.000 0.285 204 P C -0.890 176.145 177.300 -0.442 0.000 1.269 204 P CA -0.426 62.441 63.100 -0.388 0.000 0.844 204 P CB 2.085 33.421 31.700 -0.607 0.000 1.094 205 S N 0.289 115.697 115.700 -0.486 0.000 2.572 205 S HA 0.216 4.686 4.470 -0.000 0.000 0.274 205 S C 0.896 175.372 174.600 -0.208 0.000 1.150 205 S CA -0.581 57.310 58.200 -0.515 0.000 0.944 205 S CB 0.925 63.402 63.200 -1.204 0.000 1.071 205 S HN 0.454 nan 8.310 nan 0.000 0.479 206 E N 3.381 123.522 120.200 -0.098 0.000 2.338 206 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 206 E C 1.382 177.971 176.600 -0.018 0.000 1.007 206 E CA 1.693 58.081 56.400 -0.021 0.000 0.849 206 E CB -1.113 28.588 29.700 0.001 0.000 0.774 206 E HN 0.736 nan 8.360 nan 0.000 0.506 207 T N -1.848 112.697 114.554 -0.015 0.000 3.014 207 T HA -0.037 4.312 4.350 -0.000 0.000 0.263 207 T C 0.348 174.952 174.700 -0.160 0.000 1.078 207 T CA 0.679 62.758 62.100 -0.036 0.000 1.135 207 T CB -0.388 68.507 68.868 0.046 0.000 0.895 207 T HN 0.192 nan 8.240 nan 0.000 0.480 208 H N 0.870 119.890 119.070 -0.083 0.000 2.340 208 H HA 0.465 5.021 4.556 -0.000 0.000 0.233 208 H C 0.851 176.182 175.328 0.004 0.000 1.435 208 H CA -0.810 55.234 56.048 -0.007 0.000 1.389 208 H CB 0.318 30.129 29.762 0.081 0.000 1.491 208 H HN -0.007 nan 8.280 nan 0.000 0.518 209 L N 0.662 121.936 121.223 0.084 0.000 2.093 209 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 209 L C 1.960 178.914 176.870 0.141 0.000 1.085 209 L CA 2.078 56.980 54.840 0.104 0.000 0.755 209 L CB -0.507 41.596 42.059 0.074 0.000 0.904 209 L HN 0.651 nan 8.230 nan 0.000 0.435 210 D N -1.020 119.450 120.400 0.117 0.000 2.106 210 D HA -0.267 4.373 4.640 -0.000 0.000 0.191 210 D C 2.247 178.677 176.300 0.216 0.000 0.997 210 D CA 1.972 56.044 54.000 0.119 0.000 0.834 210 D CB -0.178 40.645 40.800 0.040 0.000 0.956 210 D HN 0.115 nan 8.370 nan 0.000 0.448 211 S N -1.208 114.642 115.700 0.249 0.000 2.400 211 S HA -0.155 4.314 4.470 -0.000 0.000 0.232 211 S C 1.926 176.740 174.600 0.358 0.000 1.025 211 S CA 0.972 59.402 58.200 0.385 0.000 0.993 211 S CB -0.624 62.813 63.200 0.395 0.000 0.808 211 S HN 0.387 nan 8.310 nan 0.000 0.478 212 L N 1.504 122.878 121.223 0.251 0.000 2.131 212 L HA 0.037 4.377 4.340 -0.000 0.000 0.210 212 L C 2.255 179.304 176.870 0.298 0.000 1.092 212 L CA 1.410 56.380 54.840 0.217 0.000 0.759 212 L CB -0.567 41.615 42.059 0.205 0.000 0.903 212 L HN 0.224 nan 8.230 nan 0.000 0.435 213 V N 0.021 120.106 119.914 0.285 0.000 2.261 213 V HA -0.239 3.880 4.120 -0.000 0.000 0.246 213 V C 2.659 178.822 176.094 0.115 0.000 1.047 213 V CA 1.851 64.284 62.300 0.222 0.000 1.015 213 V CB -1.719 30.211 31.823 0.178 0.000 0.642 213 V HN 0.616 nan 8.190 nan 0.000 0.446 214 G N -0.490 108.409 108.800 0.165 0.000 2.503 214 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.221 214 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.221 214 G C 1.401 176.244 174.900 -0.095 0.000 1.131 214 G CA 0.830 45.829 45.100 -0.168 0.000 0.756 214 G HN 0.503 nan 8.290 nan 0.000 0.572 215 Q N 0.120 119.980 119.800 0.100 0.000 2.437 215 Q HA 0.125 4.465 4.340 -0.000 0.000 0.210 215 Q C 2.579 178.665 176.000 0.143 0.000 0.972 215 Q CA 1.049 56.880 55.803 0.047 0.000 0.903 215 Q CB -0.240 28.338 28.738 -0.265 0.000 0.967 215 Q HN 0.547 nan 8.270 nan 0.000 0.486 216 A N -0.455 122.465 122.820 0.165 0.000 2.044 216 A HA 0.127 4.447 4.320 -0.000 0.000 0.213 216 A C 1.940 179.439 177.584 -0.141 0.000 1.169 216 A CA 0.232 52.319 52.037 0.084 0.000 0.724 216 A CB 0.059 19.071 19.000 0.020 0.000 0.840 216 A HN 0.255 nan 8.150 nan 0.000 0.463 217 L N -1.784 119.264 121.223 -0.293 0.000 2.262 217 L HA 0.244 4.584 4.340 -0.000 0.000 0.197 217 L C 0.034 176.720 176.870 -0.306 0.000 1.073 217 L CA -0.246 54.366 54.840 -0.380 0.000 0.800 217 L CB -0.625 41.100 42.059 -0.557 0.000 0.987 217 L HN 0.197 nan 8.230 nan 0.000 0.470 218 F N 1.543 121.454 119.950 -0.065 0.000 2.602 218 F HA 0.338 4.865 4.527 -0.000 0.000 0.385 218 F C 1.011 176.788 175.800 -0.038 0.000 1.063 218 F CA -0.202 57.763 58.000 -0.058 0.000 1.233 218 F CB -0.466 38.485 39.000 -0.082 0.000 1.067 218 F HN -0.106 nan 8.300 nan 0.000 0.564 219 G N 1.780 110.689 108.800 0.181 0.000 2.658 219 G HA2 0.514 4.474 3.960 -0.000 0.000 0.292 219 G HA3 0.514 4.474 3.960 -0.000 0.000 0.292 219 G C -1.813 173.160 174.900 0.120 0.000 1.320 219 G CA -0.932 44.235 45.100 0.111 0.000 0.933 219 G HN 0.374 nan 8.290 nan 0.000 0.476 220 D N -0.666 119.817 120.400 0.139 0.000 2.225 220 D HA 0.612 5.251 4.640 -0.000 0.000 0.248 220 D C 0.479 176.854 176.300 0.125 0.000 1.096 220 D CA 0.569 54.651 54.000 0.137 0.000 0.863 220 D CB 1.688 42.593 40.800 0.175 0.000 1.156 220 D HN 0.700 nan 8.370 nan 0.000 0.450 221 G N -0.436 108.416 108.800 0.086 0.000 2.601 221 G HA2 0.685 4.645 3.960 -0.000 0.000 0.291 221 G HA3 0.685 4.645 3.960 -0.000 0.000 0.291 221 G C -1.798 173.197 174.900 0.158 0.000 1.456 221 G CA -0.568 44.591 45.100 0.098 0.000 0.804 221 G HN 0.582 nan 8.290 nan 0.000 0.499 222 A N -0.312 122.659 122.820 0.252 0.000 2.556 222 A HA 1.018 5.338 4.320 -0.000 0.000 0.294 222 A C -0.132 177.535 177.584 0.138 0.000 1.091 222 A CA 0.082 52.213 52.037 0.156 0.000 0.704 222 A CB 1.865 20.918 19.000 0.089 0.000 1.300 222 A HN 2.385 nan 8.150 nan 0.000 0.406 223 S N -0.612 115.092 115.700 0.008 0.000 2.565 223 S HA 0.898 5.368 4.470 -0.000 0.000 0.269 223 S C -0.823 173.681 174.600 -0.159 0.000 1.153 223 S CA -0.057 58.050 58.200 -0.155 0.000 0.835 223 S CB 1.435 64.572 63.200 -0.106 0.000 1.122 223 S HN 2.502 nan 8.310 nan 0.000 0.462 224 A N 1.557 124.253 122.820 -0.207 0.000 2.488 224 A HA 0.798 5.118 4.320 -0.000 0.000 0.298 224 A C -1.397 176.048 177.584 -0.232 0.000 1.044 224 A CA -0.765 51.152 52.037 -0.201 0.000 0.693 224 A CB 1.081 20.004 19.000 -0.128 0.000 1.272 224 A HN 0.946 nan 8.150 nan 0.000 0.402 225 L N 2.418 123.480 121.223 -0.267 0.000 2.354 225 L HA 0.618 4.958 4.340 -0.000 0.000 0.264 225 L C -0.955 175.759 176.870 -0.260 0.000 1.008 225 L CA -0.916 53.771 54.840 -0.255 0.000 0.819 225 L CB 1.987 43.864 42.059 -0.303 0.000 1.339 225 L HN 0.487 nan 8.230 nan 0.000 0.420 226 I N 2.879 123.277 120.570 -0.286 0.000 2.355 226 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 226 I C -0.142 175.783 176.117 -0.320 0.000 0.999 226 I CA -0.390 60.651 61.300 -0.431 0.000 1.163 226 I CB 1.769 39.319 38.000 -0.749 0.000 1.316 226 I HN 0.197 nan 8.210 nan 0.000 0.454 227 V N 5.054 124.810 119.914 -0.264 0.000 2.667 227 V HA 0.976 5.096 4.120 -0.000 0.000 0.308 227 V C 0.380 176.385 176.094 -0.148 0.000 1.048 227 V CA -0.490 61.711 62.300 -0.164 0.000 0.928 227 V CB 1.988 33.733 31.823 -0.130 0.000 1.004 227 V HN 0.946 nan 8.190 nan 0.000 0.444 228 G N 1.567 110.321 108.800 -0.076 0.000 2.655 228 G HA2 0.671 4.631 3.960 -0.000 0.000 0.296 228 G HA3 0.671 4.631 3.960 -0.000 0.000 0.296 228 G C -1.259 173.646 174.900 0.008 0.000 1.485 228 G CA -0.023 45.056 45.100 -0.034 0.000 0.869 228 G HN 1.045 nan 8.290 nan 0.000 0.540 229 A N 1.082 123.908 122.820 0.011 0.000 2.303 229 A HA 0.762 5.081 4.320 -0.000 0.000 0.317 229 A C -0.013 177.595 177.584 0.039 0.000 1.149 229 A CA 0.004 52.058 52.037 0.027 0.000 0.822 229 A CB 0.427 19.425 19.000 -0.003 0.000 1.131 229 A HN 1.317 nan 8.150 nan 0.000 0.493 230 D N 0.394 120.826 120.400 0.053 0.000 3.026 230 D HA -0.092 4.547 4.640 -0.000 0.000 0.248 230 D C -2.327 174.007 176.300 0.057 0.000 1.100 230 D CA 0.913 54.943 54.000 0.049 0.000 0.855 230 D CB -1.647 39.173 40.800 0.032 0.000 1.011 230 D HN 0.513 nan 8.370 nan 0.000 0.423 231 P HA 0.114 nan 4.420 nan 0.000 0.269 231 P C 0.661 177.994 177.300 0.056 0.000 1.209 231 P CA -0.283 62.864 63.100 0.077 0.000 0.776 231 P CB 0.809 32.551 31.700 0.071 0.000 0.876 232 I N 4.243 124.848 120.570 0.058 0.000 2.452 232 I HA 0.095 4.265 4.170 -0.000 0.000 0.287 232 I C -1.835 174.290 176.117 0.013 0.000 1.079 232 I CA -2.067 59.249 61.300 0.027 0.000 1.387 232 I CB 0.061 38.068 38.000 0.011 0.000 1.404 232 I HN 0.160 nan 8.210 nan 0.000 0.522 233 P HA -0.114 nan 4.420 nan 0.000 0.264 233 P C 0.350 177.644 177.300 -0.010 0.000 1.179 233 P CA 0.467 63.566 63.100 -0.001 0.000 0.763 233 P CB 0.545 32.244 31.700 -0.003 0.000 0.806 234 Q N 0.900 120.692 119.800 -0.013 0.000 2.446 234 Q HA -0.332 4.008 4.340 -0.000 0.000 0.184 234 Q C 0.990 176.974 176.000 -0.026 0.000 2.887 234 Q CA 2.491 58.282 55.803 -0.021 0.000 0.208 234 Q CB -1.834 26.890 28.738 -0.024 0.000 0.206 234 Q HN 0.121 nan 8.270 nan 0.000 0.395 235 V N 1.249 121.143 119.914 -0.034 0.000 2.219 235 V HA -0.169 3.950 4.120 -0.000 0.000 0.248 235 V C 1.065 177.135 176.094 -0.041 0.000 1.053 235 V CA 2.547 64.813 62.300 -0.056 0.000 1.009 235 V CB -0.626 31.151 31.823 -0.077 0.000 0.636 235 V HN 0.453 nan 8.190 nan 0.000 0.445 236 E N 0.141 120.343 120.200 0.004 0.000 2.191 236 E HA 0.430 4.780 4.350 -0.000 0.000 0.278 236 E C -0.293 176.340 176.600 0.056 0.000 0.972 236 E CA -0.506 55.934 56.400 0.068 0.000 0.804 236 E CB 1.649 31.445 29.700 0.160 0.000 1.110 236 E HN 0.293 nan 8.360 nan 0.000 0.394 237 K N 2.310 122.747 120.400 0.062 0.000 2.367 237 K HA 0.511 4.830 4.320 -0.000 0.000 0.263 237 K C -1.004 175.608 176.600 0.020 0.000 1.000 237 K CA -0.529 55.772 56.287 0.023 0.000 0.891 237 K CB 1.100 33.601 32.500 0.001 0.000 1.117 237 K HN 0.560 nan 8.250 nan 0.000 0.443 238 A N 2.838 125.659 122.820 0.001 0.000 2.371 238 A HA 0.244 4.563 4.320 -0.000 0.000 0.257 238 A C 0.901 178.433 177.584 -0.086 0.000 1.089 238 A CA -0.488 51.541 52.037 -0.012 0.000 0.794 238 A CB 0.072 19.072 19.000 -0.000 0.000 1.029 238 A HN 1.066 nan 8.150 nan 0.000 0.488 239 C N -0.885 118.344 119.300 -0.119 0.000 3.545 239 C HA 0.761 5.221 4.460 -0.000 0.000 0.368 239 C C -0.122 174.461 174.990 -0.679 0.000 1.400 239 C CA -0.526 58.282 59.018 -0.350 0.000 1.848 239 C CB -1.235 26.335 27.740 -0.283 0.000 2.576 239 C HN 0.547 nan 8.230 nan 0.000 0.683 240 F N 0.956 120.899 119.950 -0.012 0.000 2.654 240 F HA 0.576 5.103 4.527 -0.000 0.000 0.308 240 F C -0.601 175.205 175.800 0.011 0.000 1.108 240 F CA -0.493 57.513 58.000 0.010 0.000 0.957 240 F CB 1.311 40.334 39.000 0.039 0.000 1.309 240 F HN 0.033 nan 8.300 nan 0.000 0.446 241 E N 2.358 122.702 120.200 0.240 0.000 2.266 241 E HA 0.550 4.900 4.350 -0.000 0.000 0.268 241 E C -1.206 175.467 176.600 0.122 0.000 0.879 241 E CA -0.764 55.712 56.400 0.128 0.000 0.762 241 E CB 2.944 32.646 29.700 0.005 0.000 1.199 241 E HN 0.411 nan 8.360 nan 0.000 0.422 242 I N 3.199 123.858 120.570 0.148 0.000 2.281 242 I HA 0.068 4.238 4.170 -0.000 0.000 0.293 242 I C 0.893 177.171 176.117 0.268 0.000 1.085 242 I CA -0.165 61.219 61.300 0.141 0.000 1.257 242 I CB 0.732 38.788 38.000 0.092 0.000 1.430 242 I HN 0.394 nan 8.210 nan 0.000 0.489 243 V N 5.833 125.884 119.914 0.228 0.000 2.685 243 V HA 0.067 4.186 4.120 -0.000 0.000 0.244 243 V C 0.049 176.445 176.094 0.503 0.000 1.054 243 V CA 0.661 63.193 62.300 0.386 0.000 1.076 243 V CB 0.016 31.854 31.823 0.025 0.000 0.725 243 V HN 0.841 nan 8.190 nan 0.000 0.467 244 W N -0.548 120.811 121.300 0.099 0.000 3.464 244 W HA 0.478 5.138 4.660 -0.000 0.000 0.292 244 W C -0.858 175.632 176.519 -0.049 0.000 1.262 244 W CA -0.010 57.370 57.345 0.059 0.000 1.202 244 W CB 1.164 30.710 29.460 0.144 0.000 1.334 244 W HN -0.017 nan 8.180 nan 0.000 0.561 245 T N 1.400 115.665 114.554 -0.481 0.000 2.865 245 T HA 0.948 5.298 4.350 -0.000 0.000 0.294 245 T C -0.820 173.259 174.700 -1.035 0.000 1.119 245 T CA -0.335 61.451 62.100 -0.523 0.000 1.007 245 T CB 1.704 70.396 68.868 -0.295 0.000 1.225 245 T HN 1.520 nan 8.240 nan 0.000 0.515 246 A N 0.520 123.003 122.820 -0.561 0.000 2.599 246 A HA 0.753 5.073 4.320 -0.000 0.000 0.294 246 A C -1.551 175.914 177.584 -0.198 0.000 1.055 246 A CA -0.812 50.957 52.037 -0.446 0.000 0.683 246 A CB 1.726 20.488 19.000 -0.396 0.000 1.278 246 A HN 1.028 nan 8.150 nan 0.000 0.412 247 Q N 0.380 120.087 119.800 -0.155 0.000 2.315 247 Q HA 0.713 5.053 4.340 -0.000 0.000 0.273 247 Q C -1.382 174.561 176.000 -0.094 0.000 1.053 247 Q CA -0.315 55.415 55.803 -0.122 0.000 0.817 247 Q CB 2.419 31.070 28.738 -0.145 0.000 1.326 247 Q HN 0.974 nan 8.270 nan 0.000 0.423 248 T N 1.302 115.809 114.554 -0.077 0.000 2.868 248 T HA 0.566 4.916 4.350 -0.000 0.000 0.306 248 T C -1.544 173.117 174.700 -0.064 0.000 1.224 248 T CA -0.357 61.713 62.100 -0.051 0.000 1.012 248 T CB 1.631 70.499 68.868 -0.000 0.000 1.221 248 T HN 0.343 nan 8.240 nan 0.000 0.499 249 V N 3.324 123.208 119.914 -0.050 0.000 2.472 249 V HA 0.514 4.634 4.120 -0.000 0.000 0.290 249 V C 0.247 176.330 176.094 -0.018 0.000 1.037 249 V CA -0.744 61.529 62.300 -0.045 0.000 0.908 249 V CB 1.631 33.429 31.823 -0.041 0.000 0.985 249 V HN 0.765 nan 8.190 nan 0.000 0.454 250 V N 6.590 126.497 119.914 -0.011 0.000 2.686 250 V HA 0.216 4.336 4.120 -0.000 0.000 0.295 250 V C -2.079 174.012 176.094 -0.006 0.000 1.055 250 V CA -1.521 60.775 62.300 -0.006 0.000 1.050 250 V CB 1.112 32.929 31.823 -0.010 0.000 0.984 250 V HN 0.774 nan 8.190 nan 0.000 0.482 251 P HA 0.059 nan 4.420 nan 0.000 0.265 251 P C 0.102 177.400 177.300 -0.004 0.000 1.193 251 P CA 0.194 63.292 63.100 -0.003 0.000 0.765 251 P CB 0.097 31.796 31.700 -0.001 0.000 0.823 252 N N 1.005 119.703 118.700 -0.002 0.000 2.688 252 N HA -0.159 4.581 4.740 -0.000 0.000 0.258 252 N C -0.292 175.217 175.510 -0.001 0.000 1.016 252 N CA 1.321 54.370 53.050 -0.002 0.000 0.747 252 N CB -1.240 37.246 38.487 -0.002 0.000 0.895 252 N HN 0.538 nan 8.380 nan 0.000 0.543 253 S N -2.199 113.501 115.700 0.001 0.000 2.952 253 S HA 0.137 4.607 4.470 -0.000 0.000 0.251 253 S C 0.063 174.670 174.600 0.013 0.000 1.021 253 S CA -0.689 57.514 58.200 0.005 0.000 1.067 253 S CB 0.799 64.001 63.200 0.004 0.000 1.002 253 S HN 0.232 nan 8.310 nan 0.000 0.574 254 E N 1.124 121.330 120.200 0.010 0.000 2.360 254 E HA 0.432 4.782 4.350 -0.000 0.000 0.269 254 E C 1.102 177.710 176.600 0.013 0.000 1.022 254 E CA 0.458 56.867 56.400 0.015 0.000 0.887 254 E CB 0.686 30.393 29.700 0.011 0.000 0.990 254 E HN 0.545 nan 8.360 nan 0.000 0.426 255 G N 2.419 111.230 108.800 0.018 0.000 2.284 255 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.247 255 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.247 255 G C 1.172 176.075 174.900 0.004 0.000 1.012 255 G CA 0.648 45.753 45.100 0.009 0.000 0.618 255 G HN 0.674 nan 8.290 nan 0.000 0.521 256 A N -0.126 122.704 122.820 0.017 0.000 1.884 256 A HA 0.261 4.581 4.320 -0.000 0.000 0.219 256 A C 1.242 178.848 177.584 0.037 0.000 1.197 256 A CA 1.834 53.885 52.037 0.023 0.000 0.637 256 A CB -0.182 18.837 19.000 0.033 0.000 0.827 256 A HN 1.090 nan 8.150 nan 0.000 0.450 257 I N -1.732 118.881 120.570 0.072 0.000 2.478 257 I HA 0.585 4.755 4.170 -0.000 0.000 0.287 257 I C 0.150 176.336 176.117 0.114 0.000 1.042 257 I CA -0.264 61.112 61.300 0.126 0.000 1.067 257 I CB 2.070 40.205 38.000 0.226 0.000 1.233 257 I HN 0.298 nan 8.210 nan 0.000 0.431 258 G N 3.293 112.139 108.800 0.076 0.000 2.682 258 G HA2 0.838 4.798 3.960 -0.000 0.000 0.290 258 G HA3 0.838 4.798 3.960 -0.000 0.000 0.290 258 G C -1.393 173.576 174.900 0.116 0.000 1.425 258 G CA -0.755 44.395 45.100 0.084 0.000 0.807 258 G HN 0.788 nan 8.290 nan 0.000 0.482 259 G N -0.905 107.956 108.800 0.102 0.000 2.692 259 G HA2 0.674 4.634 3.960 -0.000 0.000 0.291 259 G HA3 0.674 4.634 3.960 -0.000 0.000 0.291 259 G C -1.730 173.210 174.900 0.066 0.000 1.423 259 G CA -0.686 44.481 45.100 0.112 0.000 0.843 259 G HN 0.530 nan 8.290 nan 0.000 0.486 260 K N 0.276 120.708 120.400 0.055 0.000 2.553 260 K HA 0.453 4.773 4.320 -0.000 0.000 0.250 260 K C -1.155 175.457 176.600 0.020 0.000 0.953 260 K CA -0.692 55.614 56.287 0.031 0.000 0.800 260 K CB 3.004 35.517 32.500 0.021 0.000 1.243 260 K HN 0.296 nan 8.250 nan 0.000 0.435 261 V N 4.862 124.784 119.914 0.014 0.000 2.385 261 V HA 0.396 4.516 4.120 -0.000 0.000 0.269 261 V C 0.203 176.294 176.094 -0.005 0.000 1.043 261 V CA -0.307 61.996 62.300 0.004 0.000 0.906 261 V CB 0.480 32.306 31.823 0.005 0.000 0.995 261 V HN 0.637 nan 8.190 nan 0.000 0.467 262 R N 2.868 123.359 120.500 -0.014 0.000 2.846 262 R HA 0.427 4.767 4.340 -0.000 0.000 0.263 262 R C 0.860 177.143 176.300 -0.028 0.000 1.080 262 R CA -0.836 55.251 56.100 -0.022 0.000 0.961 262 R CB 1.103 31.384 30.300 -0.032 0.000 1.231 262 R HN 0.617 nan 8.270 nan 0.000 0.465 263 E N 0.579 120.761 120.200 -0.030 0.000 2.209 263 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 263 E C 1.377 177.955 176.600 -0.037 0.000 0.993 263 E CA 1.602 57.984 56.400 -0.029 0.000 0.819 263 E CB 0.045 29.729 29.700 -0.027 0.000 0.745 263 E HN 0.364 nan 8.360 nan 0.000 0.477 264 V N -2.500 117.379 119.914 -0.059 0.000 3.620 264 V HA 0.361 4.481 4.120 -0.000 0.000 0.286 264 V C 0.800 176.856 176.094 -0.062 0.000 1.288 264 V CA 0.241 62.492 62.300 -0.080 0.000 1.178 264 V CB -0.856 30.875 31.823 -0.154 0.000 0.986 264 V HN 0.287 nan 8.190 nan 0.000 0.431 265 G N 0.250 109.028 108.800 -0.036 0.000 2.512 265 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.210 265 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.210 265 G C -0.817 174.074 174.900 -0.016 0.000 1.295 265 G CA -0.228 44.862 45.100 -0.015 0.000 0.934 265 G HN 0.601 nan 8.290 nan 0.000 0.554 266 L N 2.367 123.591 121.223 0.001 0.000 2.260 266 L HA 0.605 4.945 4.340 -0.000 0.000 0.289 266 L C 1.130 178.020 176.870 0.034 0.000 1.057 266 L CA 0.387 55.234 54.840 0.013 0.000 0.811 266 L CB 0.285 42.349 42.059 0.010 0.000 1.184 266 L HN 1.125 nan 8.230 nan 0.000 0.429 267 T N 2.068 116.645 114.554 0.037 0.000 2.889 267 T HA 0.387 4.737 4.350 -0.000 0.000 0.291 267 T C -0.512 174.298 174.700 0.183 0.000 0.995 267 T CA -0.555 61.587 62.100 0.069 0.000 1.092 267 T CB 1.500 70.370 68.868 0.003 0.000 0.954 267 T HN 0.407 nan 8.240 nan 0.000 0.506 268 F N 3.086 123.079 119.950 0.071 0.000 2.482 268 F HA 0.482 5.009 4.527 -0.000 0.000 0.331 268 F C -0.700 175.196 175.800 0.160 0.000 1.115 268 F CA -1.015 57.055 58.000 0.117 0.000 0.955 268 F CB 1.743 40.844 39.000 0.169 0.000 1.136 268 F HN 0.630 nan 8.300 nan 0.000 0.452 269 Q N 7.583 126.982 119.800 -0.668 0.000 2.356 269 Q HA 0.557 4.897 4.340 -0.000 0.000 0.270 269 Q C -1.796 173.720 176.000 -0.806 0.000 1.058 269 Q CA -0.923 54.549 55.803 -0.552 0.000 0.802 269 Q CB 2.917 31.544 28.738 -0.185 0.000 1.303 269 Q HN 0.965 nan 8.270 nan 0.000 0.444 270 L N 1.639 122.535 121.223 -0.544 0.000 2.541 270 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 270 L C -0.955 175.868 176.870 -0.078 0.000 0.966 270 L CA -0.439 54.238 54.840 -0.272 0.000 0.871 270 L CB 1.752 43.718 42.059 -0.156 0.000 1.232 270 L HN 0.554 nan 8.230 nan 0.000 0.408 271 K N 2.110 122.490 120.400 -0.033 0.000 2.138 271 K HA 0.318 4.638 4.320 -0.000 0.000 0.251 271 K C 0.992 177.599 176.600 0.012 0.000 1.015 271 K CA 0.301 56.582 56.287 -0.010 0.000 0.917 271 K CB 1.019 33.514 32.500 -0.007 0.000 1.021 271 K HN 0.766 nan 8.250 nan 0.000 0.485 272 G N 0.059 108.864 108.800 0.008 0.000 2.777 272 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.211 272 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.211 272 G C 1.129 176.031 174.900 0.003 0.000 1.149 272 G CA 0.455 45.562 45.100 0.011 0.000 0.785 272 G HN 0.599 nan 8.290 nan 0.000 0.536 273 A N 0.182 123.001 122.820 -0.001 0.000 2.167 273 A HA 0.305 4.624 4.320 -0.000 0.000 0.214 273 A C 2.377 179.951 177.584 -0.017 0.000 1.151 273 A CA 0.783 52.814 52.037 -0.010 0.000 0.735 273 A CB -0.172 18.822 19.000 -0.010 0.000 0.802 273 A HN 0.163 nan 8.150 nan 0.000 0.467 274 V N 0.937 120.848 119.914 -0.005 0.000 2.250 274 V HA -0.232 3.887 4.120 -0.000 0.000 0.250 274 V C -0.033 176.024 176.094 -0.061 0.000 1.060 274 V CA 2.845 65.137 62.300 -0.013 0.000 1.030 274 V CB -1.405 30.439 31.823 0.035 0.000 0.643 274 V HN 0.395 nan 8.190 nan 0.000 0.445 275 P HA -0.157 nan 4.420 nan 0.000 0.216 275 P C 1.279 178.522 177.300 -0.096 0.000 1.150 275 P CA 1.870 64.921 63.100 -0.083 0.000 0.837 275 P CB 0.005 31.676 31.700 -0.049 0.000 0.786 276 D N -1.046 119.314 120.400 -0.066 0.000 2.123 276 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 276 D C 1.835 178.092 176.300 -0.072 0.000 0.976 276 D CA 0.831 54.795 54.000 -0.060 0.000 0.831 276 D CB -0.652 40.125 40.800 -0.038 0.000 0.974 276 D HN -0.015 nan 8.370 nan 0.000 0.469 277 L N 0.246 121.427 121.223 -0.070 0.000 1.989 277 L HA -0.171 4.168 4.340 -0.000 0.000 0.211 277 L C 2.586 179.389 176.870 -0.112 0.000 1.071 277 L CA 1.073 55.871 54.840 -0.070 0.000 0.749 277 L CB -0.487 41.541 42.059 -0.050 0.000 0.890 277 L HN 0.187 nan 8.230 nan 0.000 0.431 278 I N -1.148 119.308 120.570 -0.191 0.000 2.315 278 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 278 I C 2.586 178.552 176.117 -0.253 0.000 1.117 278 I CA 0.934 62.046 61.300 -0.313 0.000 1.404 278 I CB -0.352 37.250 38.000 -0.664 0.000 1.071 278 I HN 0.179 nan 8.210 nan 0.000 0.419 279 S N 1.231 116.813 115.700 -0.196 0.000 2.344 279 S HA -0.139 4.331 4.470 -0.000 0.000 0.217 279 S C 2.083 176.633 174.600 -0.084 0.000 1.033 279 S CA 1.374 59.494 58.200 -0.134 0.000 1.017 279 S CB -0.490 62.651 63.200 -0.099 0.000 0.941 279 S HN 0.525 nan 8.310 nan 0.000 0.430 280 A N 1.218 123.999 122.820 -0.064 0.000 2.276 280 A HA 0.008 4.328 4.320 -0.000 0.000 0.205 280 A C 1.276 178.845 177.584 -0.026 0.000 1.234 280 A CA 0.759 52.776 52.037 -0.033 0.000 0.797 280 A CB -0.405 18.578 19.000 -0.027 0.000 0.769 280 A HN 0.511 nan 8.150 nan 0.000 0.491 281 N N -2.035 116.639 118.700 -0.043 0.000 1.941 281 N HA 0.079 4.819 4.740 -0.000 0.000 0.229 281 N C 1.044 176.540 175.510 -0.023 0.000 1.397 281 N CA -0.001 53.036 53.050 -0.023 0.000 0.824 281 N CB 0.229 38.703 38.487 -0.022 0.000 1.083 281 N HN 0.477 nan 8.380 nan 0.000 0.488 282 I N 1.714 122.241 120.570 -0.073 0.000 2.756 282 I HA -0.174 3.996 4.170 -0.000 0.000 0.262 282 I C 2.211 178.298 176.117 -0.050 0.000 1.225 282 I CA 1.224 62.458 61.300 -0.110 0.000 1.472 282 I CB 0.374 38.221 38.000 -0.256 0.000 1.094 282 I HN 0.013 nan 8.210 nan 0.000 0.454 283 E N 1.412 121.606 120.200 -0.009 0.000 2.031 283 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 283 E C 1.836 178.467 176.600 0.051 0.000 0.994 283 E CA 1.709 58.133 56.400 0.040 0.000 0.800 283 E CB -0.201 29.566 29.700 0.110 0.000 0.752 283 E HN 0.405 nan 8.360 nan 0.000 0.447 284 N N -0.324 118.413 118.700 0.061 0.000 2.364 284 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 284 N C 1.646 177.199 175.510 0.071 0.000 1.022 284 N CA 1.103 54.195 53.050 0.071 0.000 0.883 284 N CB -0.354 38.170 38.487 0.060 0.000 0.965 284 N HN 0.294 nan 8.380 nan 0.000 0.438 285 C N 0.556 119.906 119.300 0.083 0.000 2.476 285 C HA 0.084 4.544 4.460 -0.000 0.000 0.278 285 C C 2.739 177.784 174.990 0.091 0.000 1.274 285 C CA 0.218 59.329 59.018 0.155 0.000 1.713 285 C CB -0.567 27.357 27.740 0.307 0.000 2.039 285 C HN 0.393 nan 8.230 nan 0.000 0.484 286 M N 1.547 121.140 119.600 -0.011 0.000 2.086 286 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 286 M C 2.384 178.576 176.300 -0.179 0.000 1.067 286 M CA 1.699 56.849 55.300 -0.250 0.000 1.116 286 M CB -1.667 30.325 32.600 -1.013 0.000 1.348 286 M HN 0.476 nan 8.290 nan 0.000 0.407 287 V N -1.683 118.220 119.914 -0.017 0.000 2.515 287 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 287 V C 2.011 178.131 176.094 0.043 0.000 1.058 287 V CA 2.008 64.435 62.300 0.213 0.000 1.064 287 V CB -1.178 30.807 31.823 0.269 0.000 0.675 287 V HN 0.527 nan 8.190 nan 0.000 0.461 288 E N 1.053 121.245 120.200 -0.014 0.000 2.150 288 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 288 E C 2.040 178.448 176.600 -0.320 0.000 0.985 288 E CA 1.415 57.785 56.400 -0.050 0.000 0.814 288 E CB -0.152 29.595 29.700 0.078 0.000 0.752 288 E HN 0.728 nan 8.360 nan 0.000 0.466 289 A N -0.367 122.125 122.820 -0.547 0.000 1.956 289 A HA 0.086 4.405 4.320 -0.000 0.000 0.212 289 A C 1.476 178.340 177.584 -1.201 0.000 1.188 289 A CA 0.226 51.453 52.037 -1.350 0.000 0.675 289 A CB -0.212 18.020 19.000 -1.281 0.000 0.845 289 A HN 0.266 nan 8.150 nan 0.000 0.455 290 F N 0.801 120.573 119.950 -0.297 0.000 2.714 290 F HA 0.035 4.562 4.527 -0.000 0.000 0.294 290 F C 2.586 178.341 175.800 -0.076 0.000 1.120 290 F CA 0.796 58.752 58.000 -0.072 0.000 1.398 290 F CB -0.115 38.983 39.000 0.163 0.000 1.120 290 F HN 0.271 nan 8.300 nan 0.000 0.589 291 S N 0.633 116.361 115.700 0.047 0.000 2.440 291 S HA -0.277 4.193 4.470 -0.000 0.000 0.238 291 S C 1.825 176.359 174.600 -0.111 0.000 1.010 291 S CA 1.346 59.561 58.200 0.025 0.000 0.972 291 S CB -0.856 62.358 63.200 0.023 0.000 0.774 291 S HN 0.699 nan 8.310 nan 0.000 0.501 292 Q N -0.391 119.197 119.800 -0.354 0.000 2.311 292 Q HA 0.077 4.417 4.340 -0.000 0.000 0.203 292 Q C 0.567 176.313 176.000 -0.424 0.000 0.954 292 Q CA 0.689 56.206 55.803 -0.477 0.000 0.885 292 Q CB -0.435 27.839 28.738 -0.774 0.000 0.963 292 Q HN 0.625 nan 8.270 nan 0.000 0.471 293 F N 1.445 121.381 119.950 -0.023 0.000 2.639 293 F HA 0.402 4.928 4.527 -0.000 0.000 0.300 293 F C -0.013 175.814 175.800 0.046 0.000 1.109 293 F CA -0.603 57.410 58.000 0.022 0.000 1.335 293 F CB 0.284 39.323 39.000 0.065 0.000 1.014 293 F HN -0.018 nan 8.300 nan 0.000 0.537 294 K N 0.265 120.747 120.400 0.137 0.000 3.088 294 K HA -0.222 4.098 4.320 -0.000 0.000 0.273 294 K C -0.265 176.399 176.600 0.107 0.000 1.111 294 K CA 0.607 56.951 56.287 0.096 0.000 0.803 294 K CB -2.149 30.398 32.500 0.079 0.000 1.226 294 K HN 0.333 nan 8.250 nan 0.000 0.485 295 I N 0.402 121.075 120.570 0.172 0.000 2.355 295 I HA 0.097 4.266 4.170 -0.000 0.000 0.288 295 I C 0.859 177.060 176.117 0.141 0.000 0.999 295 I CA -0.328 61.055 61.300 0.138 0.000 1.163 295 I CB 1.895 39.992 38.000 0.161 0.000 1.316 295 I HN -0.031 nan 8.210 nan 0.000 0.454 296 S N 2.080 117.740 115.700 -0.066 0.000 2.559 296 S HA 0.052 4.522 4.470 -0.000 0.000 0.226 296 S C 0.151 174.243 174.600 -0.846 0.000 1.030 296 S CA -0.183 57.811 58.200 -0.344 0.000 0.956 296 S CB 0.101 63.172 63.200 -0.215 0.000 0.900 296 S HN 0.707 nan 8.310 nan 0.000 0.510 297 D N 0.645 120.748 120.400 -0.494 0.000 2.443 297 D HA 0.211 4.851 4.640 -0.000 0.000 0.221 297 D C 0.330 176.523 176.300 -0.179 0.000 1.097 297 D CA -0.793 52.936 54.000 -0.452 0.000 0.865 297 D CB 0.195 40.874 40.800 -0.201 0.000 1.034 297 D HN 0.292 nan 8.370 nan 0.000 0.511 298 W N 2.428 123.774 121.300 0.077 0.000 2.424 298 W HA -0.105 4.555 4.660 -0.000 0.000 0.264 298 W C 1.516 178.179 176.519 0.240 0.000 1.229 298 W CA -0.503 56.940 57.345 0.162 0.000 1.208 298 W CB -0.091 29.593 29.460 0.374 0.000 1.127 298 W HN 0.349 nan 8.180 nan 0.000 0.588 299 N N 0.684 119.556 118.700 0.286 0.000 2.463 299 N HA -0.044 4.696 4.740 -0.000 0.000 0.181 299 N C 0.951 176.567 175.510 0.175 0.000 1.078 299 N CA 0.771 53.959 53.050 0.231 0.000 0.902 299 N CB -0.108 38.447 38.487 0.113 0.000 0.970 299 N HN 0.304 nan 8.380 nan 0.000 0.451 300 K N 0.555 121.023 120.400 0.113 0.000 2.551 300 K HA 0.139 4.459 4.320 -0.000 0.000 0.204 300 K C -0.528 176.107 176.600 0.059 0.000 1.033 300 K CA 0.074 56.404 56.287 0.070 0.000 1.187 300 K CB 0.464 32.977 32.500 0.022 0.000 0.900 300 K HN -0.054 nan 8.250 nan 0.000 0.499 301 L N 0.380 121.658 121.223 0.092 0.000 2.393 301 L HA 0.432 4.772 4.340 -0.000 0.000 0.260 301 L C -0.278 176.676 176.870 0.139 0.000 1.002 301 L CA -1.150 53.661 54.840 -0.049 0.000 0.818 301 L CB 0.928 42.729 42.059 -0.430 0.000 1.369 301 L HN -0.007 nan 8.230 nan 0.000 0.412 302 F N -0.996 118.977 119.950 0.038 0.000 2.380 302 F HA 0.818 5.345 4.527 -0.000 0.000 0.319 302 F C -0.892 174.957 175.800 0.082 0.000 1.113 302 F CA -1.144 56.968 58.000 0.187 0.000 1.056 302 F CB 0.614 39.700 39.000 0.144 0.000 1.289 302 F HN 0.224 nan 8.300 nan 0.000 0.515 303 W N 0.025 121.451 121.300 0.211 0.000 2.864 303 W HA 0.707 5.367 4.660 -0.000 0.000 0.343 303 W C -1.666 174.946 176.519 0.155 0.000 1.109 303 W CA -1.131 56.280 57.345 0.111 0.000 1.192 303 W CB 2.134 31.672 29.460 0.130 0.000 1.426 303 W HN 0.369 nan 8.180 nan 0.000 0.529 304 V N 3.474 123.567 119.914 0.297 0.000 2.555 304 V HA 0.380 4.500 4.120 -0.000 0.000 0.283 304 V C -0.992 175.234 176.094 0.220 0.000 1.020 304 V CA -0.843 61.575 62.300 0.198 0.000 0.883 304 V CB 1.183 33.037 31.823 0.052 0.000 1.030 304 V HN 0.325 nan 8.190 nan 0.000 0.448 305 V N 3.050 123.122 119.914 0.263 0.000 2.555 305 V HA 0.425 4.545 4.120 -0.000 0.000 0.302 305 V C -0.023 176.131 176.094 0.099 0.000 1.038 305 V CA -0.981 61.467 62.300 0.246 0.000 0.887 305 V CB 1.860 33.905 31.823 0.369 0.000 0.991 305 V HN 0.960 nan 8.190 nan 0.000 0.434 306 H N 7.516 126.515 119.070 -0.118 0.000 3.046 306 H HA 0.145 4.701 4.556 -0.000 0.000 0.303 306 H C -1.936 173.450 175.328 0.097 0.000 1.002 306 H CA -1.414 54.589 56.048 -0.075 0.000 1.460 306 H CB 1.091 30.740 29.762 -0.189 0.000 1.493 306 H HN 0.402 nan 8.280 nan 0.000 0.559 307 P HA 0.015 nan 4.420 nan 0.000 0.246 307 P C 1.053 178.107 177.300 -0.411 0.000 1.675 307 P CA 0.471 63.372 63.100 -0.331 0.000 0.908 307 P CB -0.342 31.247 31.700 -0.185 0.000 1.890 308 G N 1.194 109.810 108.800 -0.306 0.000 2.631 308 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.219 308 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.219 308 G C 0.687 175.612 174.900 0.042 0.000 1.214 308 G CA 0.823 45.972 45.100 0.082 0.000 0.785 308 G HN 0.627 nan 8.290 nan 0.000 0.596 309 G N -2.823 105.995 108.800 0.030 0.000 2.720 309 G HA2 0.463 4.422 3.960 -0.000 0.000 0.295 309 G HA3 0.463 4.422 3.960 -0.000 0.000 0.295 309 G C 0.329 175.223 174.900 -0.011 0.000 1.437 309 G CA 0.157 45.254 45.100 -0.005 0.000 0.886 309 G HN 0.209 nan 8.290 nan 0.000 0.509 310 R N 0.529 121.012 120.500 -0.028 0.000 2.113 310 R HA -0.203 4.137 4.340 -0.000 0.000 0.244 310 R C 2.731 179.018 176.300 -0.021 0.000 1.142 310 R CA 2.622 58.706 56.100 -0.027 0.000 0.953 310 R CB -0.403 29.876 30.300 -0.036 0.000 0.860 310 R HN 0.636 nan 8.270 nan 0.000 0.438 311 A N 1.181 123.989 122.820 -0.020 0.000 1.883 311 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 311 A C 2.217 179.782 177.584 -0.032 0.000 1.186 311 A CA 1.786 53.809 52.037 -0.024 0.000 0.624 311 A CB -0.640 18.350 19.000 -0.018 0.000 0.822 311 A HN 0.399 nan 8.150 nan 0.000 0.444 312 I N -0.440 120.114 120.570 -0.028 0.000 2.194 312 I HA -0.317 3.853 4.170 -0.000 0.000 0.246 312 I C 2.459 178.553 176.117 -0.039 0.000 1.093 312 I CA 1.376 62.643 61.300 -0.055 0.000 1.355 312 I CB -0.472 37.512 38.000 -0.026 0.000 1.046 312 I HN 0.326 nan 8.210 nan 0.000 0.413 313 L N 0.239 121.461 121.223 -0.001 0.000 1.976 313 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 313 L C 2.360 179.206 176.870 -0.039 0.000 1.071 313 L CA 1.441 56.282 54.840 0.001 0.000 0.746 313 L CB -0.824 41.240 42.059 0.009 0.000 0.890 313 L HN 0.247 nan 8.230 nan 0.000 0.432 314 D N -0.114 120.263 120.400 -0.038 0.000 2.106 314 D HA -0.230 4.409 4.640 -0.000 0.000 0.191 314 D C 2.258 178.526 176.300 -0.054 0.000 0.997 314 D CA 1.271 55.244 54.000 -0.045 0.000 0.834 314 D CB -0.296 40.483 40.800 -0.036 0.000 0.956 314 D HN 0.042 nan 8.370 nan 0.000 0.448 315 R N 0.438 120.904 120.500 -0.056 0.000 2.105 315 R HA -0.077 4.263 4.340 -0.000 0.000 0.239 315 R C 2.214 178.468 176.300 -0.078 0.000 1.135 315 R CA 0.540 56.602 56.100 -0.064 0.000 0.967 315 R CB -0.574 29.683 30.300 -0.072 0.000 0.861 315 R HN 0.108 nan 8.270 nan 0.000 0.442 316 V N -0.428 119.429 119.914 -0.095 0.000 2.488 316 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 316 V C 2.046 178.067 176.094 -0.123 0.000 1.046 316 V CA 1.681 63.914 62.300 -0.111 0.000 1.053 316 V CB -0.327 31.430 31.823 -0.110 0.000 0.679 316 V HN 0.370 nan 8.190 nan 0.000 0.458 317 E N 0.338 120.459 120.200 -0.131 0.000 2.209 317 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 317 E C 2.130 178.674 176.600 -0.094 0.000 0.993 317 E CA 1.371 57.678 56.400 -0.156 0.000 0.819 317 E CB -0.160 29.463 29.700 -0.129 0.000 0.745 317 E HN 0.604 nan 8.360 nan 0.000 0.477 318 A N 1.108 123.890 122.820 -0.063 0.000 1.840 318 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 318 A C 2.116 179.694 177.584 -0.009 0.000 1.198 318 A CA 1.215 53.232 52.037 -0.034 0.000 0.608 318 A CB -0.438 18.543 19.000 -0.031 0.000 0.839 318 A HN 0.028 nan 8.150 nan 0.000 0.443 319 K N 0.139 120.534 120.400 -0.009 0.000 2.113 319 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 319 K C 1.391 178.042 176.600 0.085 0.000 1.047 319 K CA 1.490 57.792 56.287 0.025 0.000 0.928 319 K CB -0.400 32.105 32.500 0.008 0.000 0.716 319 K HN 0.556 nan 8.250 nan 0.000 0.446 320 L N 1.834 123.110 121.223 0.089 0.000 2.693 320 L HA 0.070 4.410 4.340 -0.000 0.000 0.235 320 L C -0.000 176.962 176.870 0.154 0.000 1.127 320 L CA -0.083 54.896 54.840 0.232 0.000 0.914 320 L CB -0.522 41.698 42.059 0.269 0.000 1.193 320 L HN 0.212 nan 8.230 nan 0.000 0.502 321 N N 1.602 120.330 118.700 0.046 0.000 2.691 321 N HA -0.231 4.509 4.740 -0.000 0.000 0.277 321 N C -0.734 174.773 175.510 -0.005 0.000 1.029 321 N CA 0.677 53.731 53.050 0.007 0.000 0.798 321 N CB -1.658 36.839 38.487 0.015 0.000 0.922 321 N HN 0.429 nan 8.380 nan 0.000 0.562 322 L N 0.388 121.567 121.223 -0.073 0.000 2.375 322 L HA 0.300 4.640 4.340 -0.000 0.000 0.271 322 L C 0.819 177.637 176.870 -0.086 0.000 1.107 322 L CA -1.040 53.732 54.840 -0.113 0.000 0.806 322 L CB 0.561 42.404 42.059 -0.360 0.000 1.146 322 L HN 0.319 nan 8.230 nan 0.000 0.447 323 D N 0.962 121.334 120.400 -0.046 0.000 2.382 323 D HA 0.149 4.789 4.640 -0.000 0.000 0.245 323 D C -2.001 174.279 176.300 -0.034 0.000 1.120 323 D CA -1.475 52.510 54.000 -0.025 0.000 0.890 323 D CB 0.640 41.442 40.800 0.003 0.000 1.201 323 D HN 0.188 nan 8.370 nan 0.000 0.433 324 P HA -0.329 nan 4.420 nan 0.000 0.226 324 P C 1.231 178.530 177.300 -0.002 0.000 1.154 324 P CA 2.026 65.117 63.100 -0.016 0.000 0.918 324 P CB -0.074 31.624 31.700 -0.004 0.000 0.790 325 T N -0.403 114.161 114.554 0.016 0.000 2.624 325 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 325 T C 1.556 176.292 174.700 0.060 0.000 1.041 325 T CA 1.779 63.905 62.100 0.043 0.000 1.159 325 T CB -0.630 68.272 68.868 0.057 0.000 0.863 325 T HN 0.139 nan 8.240 nan 0.000 0.434 326 K N 1.300 121.724 120.400 0.040 0.000 1.987 326 K HA -0.164 4.156 4.320 -0.000 0.000 0.232 326 K C 1.899 178.551 176.600 0.087 0.000 1.034 326 K CA 1.520 57.834 56.287 0.045 0.000 1.013 326 K CB -1.349 31.011 32.500 -0.234 0.000 0.736 326 K HN 0.390 nan 8.250 nan 0.000 0.446 327 L N 1.778 123.002 121.223 0.002 0.000 2.798 327 L HA 0.049 4.388 4.340 -0.000 0.000 0.254 327 L C 2.001 178.923 176.870 0.086 0.000 1.176 327 L CA -0.192 54.683 54.840 0.059 0.000 0.991 327 L CB -0.510 41.549 42.059 0.000 0.000 1.225 327 L HN 0.196 nan 8.230 nan 0.000 0.420 328 I N 0.738 121.367 120.570 0.097 0.000 2.202 328 I HA -0.147 4.022 4.170 -0.000 0.000 0.242 328 I C -0.126 176.077 176.117 0.144 0.000 1.091 328 I CA 1.239 62.603 61.300 0.106 0.000 1.368 328 I CB -1.025 37.030 38.000 0.092 0.000 1.058 328 I HN 0.274 nan 8.210 nan 0.000 0.410 329 P HA -0.102 nan 4.420 nan 0.000 0.216 329 P C 1.630 179.042 177.300 0.188 0.000 1.153 329 P CA 1.457 64.645 63.100 0.148 0.000 0.848 329 P CB -0.073 31.710 31.700 0.139 0.000 0.787 330 T N -0.472 114.185 114.554 0.172 0.000 2.652 330 T HA -0.156 4.193 4.350 -0.000 0.000 0.267 330 T C 1.820 176.598 174.700 0.130 0.000 1.039 330 T CA 1.362 63.553 62.100 0.151 0.000 1.153 330 T CB -0.526 68.430 68.868 0.147 0.000 0.863 330 T HN 0.151 nan 8.240 nan 0.000 0.428 331 R N -0.117 120.452 120.500 0.116 0.000 2.075 331 R HA -0.075 4.264 4.340 -0.000 0.000 0.232 331 R C 2.504 178.865 176.300 0.102 0.000 1.126 331 R CA 1.134 57.282 56.100 0.080 0.000 0.963 331 R CB -0.530 29.803 30.300 0.055 0.000 0.858 331 R HN 0.503 nan 8.270 nan 0.000 0.435 332 H N 1.079 120.187 119.070 0.063 0.000 2.265 332 H HA -0.143 4.412 4.556 -0.000 0.000 0.293 332 H C 1.929 177.316 175.328 0.099 0.000 1.089 332 H CA 2.205 58.296 56.048 0.072 0.000 1.244 332 H CB -0.080 29.737 29.762 0.093 0.000 1.355 332 H HN -0.027 nan 8.280 nan 0.000 0.485 333 V N 1.644 121.776 119.914 0.363 0.000 2.287 333 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 333 V C 3.041 179.255 176.094 0.200 0.000 1.053 333 V CA 2.162 64.683 62.300 0.369 0.000 1.027 333 V CB -0.749 31.260 31.823 0.309 0.000 0.646 333 V HN 0.427 nan 8.190 nan 0.000 0.447 334 M N -0.311 119.346 119.600 0.095 0.000 2.213 334 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 334 M C 2.306 178.587 176.300 -0.032 0.000 1.062 334 M CA 2.118 57.429 55.300 0.017 0.000 1.105 334 M CB -0.136 32.456 32.600 -0.012 0.000 1.385 334 M HN 0.431 nan 8.290 nan 0.000 0.417 335 S N -0.250 115.413 115.700 -0.062 0.000 2.395 335 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 335 S C 1.740 176.223 174.600 -0.195 0.000 1.027 335 S CA 1.470 59.591 58.200 -0.131 0.000 0.965 335 S CB -0.197 62.909 63.200 -0.157 0.000 0.812 335 S HN 0.692 nan 8.310 nan 0.000 0.482 336 E N -1.570 118.493 120.200 -0.227 0.000 2.230 336 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 336 E C 0.699 176.970 176.600 -0.549 0.000 0.987 336 E CA 0.732 56.892 56.400 -0.400 0.000 0.841 336 E CB 0.061 29.494 29.700 -0.445 0.000 0.783 336 E HN 0.727 nan 8.360 nan 0.000 0.481 337 Y N -1.070 119.201 120.300 -0.048 0.000 2.448 337 Y HA 0.330 4.880 4.550 -0.000 0.000 0.257 337 Y C 0.996 176.834 175.900 -0.103 0.000 1.089 337 Y CA 0.155 58.221 58.100 -0.056 0.000 1.245 337 Y CB 1.380 39.724 38.460 -0.193 0.000 1.282 337 Y HN 0.185 nan 8.280 nan 0.000 0.529 338 G N 1.487 110.295 108.800 0.013 0.000 2.562 338 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.250 338 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.250 338 G C -0.496 174.399 174.900 -0.007 0.000 1.269 338 G CA -0.228 44.852 45.100 -0.034 0.000 0.919 338 G HN 0.264 nan 8.290 nan 0.000 0.574 339 N N 1.046 119.748 118.700 0.004 0.000 2.469 339 N HA 0.440 5.180 4.740 -0.000 0.000 0.239 339 N C 0.943 176.554 175.510 0.168 0.000 1.053 339 N CA -0.199 52.905 53.050 0.089 0.000 0.937 339 N CB 0.146 38.705 38.487 0.119 0.000 1.163 339 N HN 0.469 nan 8.380 nan 0.000 0.509 340 M N 2.088 121.745 119.600 0.095 0.000 2.738 340 M HA 0.065 4.545 4.480 -0.000 0.000 0.295 340 M C 1.069 177.416 176.300 0.078 0.000 1.266 340 M CA -0.275 55.054 55.300 0.049 0.000 0.985 340 M CB -0.320 32.209 32.600 -0.117 0.000 1.365 340 M HN 0.603 nan 8.290 nan 0.000 0.492 341 S N 1.217 117.019 115.700 0.171 0.000 4.112 341 S HA -0.321 4.149 4.470 -0.000 0.000 0.602 341 S C 1.557 176.139 174.600 -0.030 0.000 1.939 341 S CA 2.344 60.586 58.200 0.070 0.000 4.230 341 S CB -1.241 61.929 63.200 -0.050 0.000 0.245 341 S HN 0.745 nan 8.310 nan 0.000 0.530 342 S N 1.748 117.381 115.700 -0.111 0.000 2.383 342 S HA 0.050 4.520 4.470 -0.000 0.000 0.229 342 S C 1.985 176.545 174.600 -0.067 0.000 1.030 342 S CA 1.925 60.040 58.200 -0.141 0.000 1.002 342 S CB -1.035 62.067 63.200 -0.163 0.000 0.829 342 S HN 1.582 nan 8.310 nan 0.000 0.467 343 A N 0.375 123.212 122.820 0.028 0.000 2.168 343 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 343 A C 2.310 180.012 177.584 0.198 0.000 1.152 343 A CA 0.853 52.992 52.037 0.169 0.000 0.716 343 A CB -1.411 17.731 19.000 0.236 0.000 0.794 343 A HN 0.683 nan 8.150 nan 0.000 0.465 344 C N -0.729 118.621 119.300 0.083 0.000 2.386 344 C HA -0.183 4.277 4.460 -0.000 0.000 0.279 344 C C 2.809 177.852 174.990 0.088 0.000 1.208 344 C CA 1.635 60.700 59.018 0.079 0.000 1.747 344 C CB -1.418 26.419 27.740 0.162 0.000 2.046 344 C HN 0.707 nan 8.230 nan 0.000 0.453 345 V N -0.471 119.428 119.914 -0.025 0.000 2.568 345 V HA -0.246 3.874 4.120 -0.000 0.000 0.253 345 V C 2.220 178.258 176.094 -0.094 0.000 1.072 345 V CA 2.424 64.667 62.300 -0.095 0.000 1.084 345 V CB -1.217 30.487 31.823 -0.199 0.000 0.676 345 V HN 0.611 nan 8.190 nan 0.000 0.469 346 H N -0.623 118.495 119.070 0.080 0.000 2.363 346 H HA 0.080 4.636 4.556 -0.000 0.000 0.301 346 H C 2.150 177.500 175.328 0.036 0.000 1.074 346 H CA 1.711 57.770 56.048 0.019 0.000 1.354 346 H CB -0.531 29.216 29.762 -0.026 0.000 1.397 346 H HN 0.523 nan 8.280 nan 0.000 0.516 347 F N 0.975 120.944 119.950 0.031 0.000 2.126 347 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 347 F C 2.576 178.394 175.800 0.029 0.000 1.096 347 F CA 0.899 58.884 58.000 -0.026 0.000 1.255 347 F CB -0.527 38.390 39.000 -0.138 0.000 0.997 347 F HN 0.033 nan 8.300 nan 0.000 0.479 348 I N -0.694 120.021 120.570 0.242 0.000 2.226 348 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 348 I C 2.353 178.539 176.117 0.114 0.000 1.100 348 I CA 1.066 62.470 61.300 0.172 0.000 1.374 348 I CB -0.581 37.503 38.000 0.139 0.000 1.057 348 I HN 0.108 nan 8.210 nan 0.000 0.413 349 L N 0.438 121.699 121.223 0.062 0.000 2.042 349 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 349 L C 2.220 179.158 176.870 0.114 0.000 1.076 349 L CA 1.601 56.425 54.840 -0.027 0.000 0.749 349 L CB -0.520 41.480 42.059 -0.099 0.000 0.893 349 L HN 0.299 nan 8.230 nan 0.000 0.432 350 D N -0.786 119.672 120.400 0.098 0.000 2.117 350 D HA -0.237 4.403 4.640 -0.000 0.000 0.198 350 D C 2.128 178.483 176.300 0.091 0.000 0.982 350 D CA 0.973 55.024 54.000 0.085 0.000 0.828 350 D CB 0.155 40.947 40.800 -0.014 0.000 0.967 350 D HN 0.139 nan 8.370 nan 0.000 0.464 351 Q N -0.160 119.700 119.800 0.100 0.000 2.084 351 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 351 Q C 1.924 177.955 176.000 0.051 0.000 0.978 351 Q CA 2.215 58.055 55.803 0.062 0.000 0.844 351 Q CB -0.756 28.026 28.738 0.074 0.000 0.898 351 Q HN 0.192 nan 8.270 nan 0.000 0.426 352 T N 1.167 115.782 114.554 0.101 0.000 2.607 352 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 352 T C 1.617 176.372 174.700 0.093 0.000 1.049 352 T CA 2.187 64.355 62.100 0.113 0.000 1.162 352 T CB -0.416 68.555 68.868 0.171 0.000 0.863 352 T HN 0.637 nan 8.240 nan 0.000 0.424 353 R N 1.057 121.650 120.500 0.156 0.000 2.148 353 R HA 0.059 4.398 4.340 -0.000 0.000 0.227 353 R C 2.110 178.408 176.300 -0.003 0.000 1.103 353 R CA 0.983 57.105 56.100 0.037 0.000 0.983 353 R CB -0.140 30.175 30.300 0.024 0.000 0.874 353 R HN 0.191 nan 8.270 nan 0.000 0.451 354 K N 0.876 121.288 120.400 0.019 0.000 2.155 354 K HA 0.071 4.391 4.320 -0.000 0.000 0.203 354 K C 2.112 178.704 176.600 -0.014 0.000 1.052 354 K CA 1.278 57.566 56.287 0.000 0.000 0.948 354 K CB -0.085 32.420 32.500 0.008 0.000 0.728 354 K HN 0.323 nan 8.250 nan 0.000 0.448 355 A N 1.146 123.957 122.820 -0.015 0.000 1.898 355 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 355 A C 2.233 179.805 177.584 -0.019 0.000 1.183 355 A CA 1.396 53.420 52.037 -0.021 0.000 0.622 355 A CB -0.361 18.627 19.000 -0.020 0.000 0.824 355 A HN 0.194 nan 8.150 nan 0.000 0.444 356 S N -0.112 115.571 115.700 -0.027 0.000 2.474 356 S HA -0.025 4.444 4.470 -0.000 0.000 0.235 356 S C 1.652 176.221 174.600 -0.051 0.000 0.997 356 S CA 0.831 59.002 58.200 -0.048 0.000 0.949 356 S CB -0.125 63.023 63.200 -0.087 0.000 0.766 356 S HN 0.437 nan 8.310 nan 0.000 0.517 357 L N 1.453 122.650 121.223 -0.043 0.000 2.168 357 L HA 0.137 4.477 4.340 -0.000 0.000 0.203 357 L C 2.309 179.163 176.870 -0.026 0.000 1.078 357 L CA 1.484 56.300 54.840 -0.040 0.000 0.780 357 L CB -0.933 41.104 42.059 -0.038 0.000 0.939 357 L HN 0.340 nan 8.230 nan 0.000 0.451 358 Q N -0.306 119.483 119.800 -0.018 0.000 2.369 358 Q HA -0.112 4.228 4.340 -0.000 0.000 0.206 358 Q C 0.472 176.467 176.000 -0.008 0.000 0.963 358 Q CA 0.824 56.620 55.803 -0.010 0.000 0.894 358 Q CB 0.306 29.041 28.738 -0.005 0.000 0.965 358 Q HN 0.500 nan 8.270 nan 0.000 0.475 359 N N -0.372 118.321 118.700 -0.011 0.000 2.214 359 N HA 0.105 4.845 4.740 -0.000 0.000 0.214 359 N C 0.246 175.749 175.510 -0.011 0.000 1.132 359 N CA 0.784 53.830 53.050 -0.007 0.000 0.856 359 N CB 1.085 39.570 38.487 -0.003 0.000 1.020 359 N HN 0.294 nan 8.380 nan 0.000 0.509 360 G N 1.169 109.958 108.800 -0.018 0.000 2.323 360 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.292 360 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.292 360 G C 0.222 175.108 174.900 -0.024 0.000 1.040 360 G CA 0.074 45.162 45.100 -0.020 0.000 0.942 360 G HN 0.380 nan 8.290 nan 0.000 0.506 361 C N 0.198 119.479 119.300 -0.031 0.000 2.604 361 C HA 0.543 5.003 4.460 -0.000 0.000 0.396 361 C C 2.307 177.269 174.990 -0.047 0.000 1.282 361 C CA 0.232 59.229 59.018 -0.035 0.000 2.292 361 C CB 1.284 28.999 27.740 -0.042 0.000 2.633 361 C HN 0.954 nan 8.230 nan 0.000 0.620 362 S N 0.473 116.147 115.700 -0.043 0.000 2.481 362 S HA -0.010 4.459 4.470 -0.000 0.000 0.231 362 S C 0.600 175.157 174.600 -0.072 0.000 0.996 362 S CA 0.910 59.081 58.200 -0.048 0.000 0.942 362 S CB -0.550 62.630 63.200 -0.035 0.000 0.768 362 S HN 0.980 nan 8.310 nan 0.000 0.520 363 T N -1.725 112.772 114.554 -0.094 0.000 2.887 363 T HA 0.514 4.864 4.350 -0.000 0.000 0.292 363 T C 0.651 175.229 174.700 -0.204 0.000 1.087 363 T CA -0.082 61.931 62.100 -0.145 0.000 1.009 363 T CB 1.332 70.118 68.868 -0.137 0.000 1.203 363 T HN 0.124 nan 8.240 nan 0.000 0.518 364 T N -2.295 112.073 114.554 -0.310 0.000 3.215 364 T HA 0.249 4.599 4.350 -0.000 0.000 0.254 364 T C 1.317 175.773 174.700 -0.406 0.000 1.149 364 T CA 0.361 62.221 62.100 -0.399 0.000 1.042 364 T CB -0.588 67.873 68.868 -0.680 0.000 0.966 364 T HN 1.002 nan 8.240 nan 0.000 0.534 365 G N 0.903 109.435 108.800 -0.447 0.000 4.098 365 G HA2 0.405 4.365 3.960 -0.000 0.000 0.300 365 G HA3 0.405 4.365 3.960 -0.000 0.000 0.300 365 G C -0.208 174.459 174.900 -0.388 0.000 1.187 365 G CA -0.816 43.797 45.100 -0.812 0.000 0.964 365 G HN 0.499 nan 8.290 nan 0.000 0.559 366 E N -0.858 119.228 120.200 -0.190 0.000 2.252 366 E HA -0.266 4.084 4.350 -0.000 0.000 0.218 366 E C 1.572 178.156 176.600 -0.027 0.000 1.253 366 E CA 0.552 56.914 56.400 -0.063 0.000 0.705 366 E CB -1.340 28.365 29.700 0.008 0.000 1.172 366 E HN 1.129 nan 8.360 nan 0.000 0.369 367 G N -1.607 107.161 108.800 -0.053 0.000 2.363 367 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.238 367 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.238 367 G C 0.315 175.220 174.900 0.007 0.000 1.062 367 G CA 0.321 45.410 45.100 -0.019 0.000 0.629 367 G HN 0.197 nan 8.290 nan 0.000 0.514 368 L N 1.204 122.455 121.223 0.047 0.000 2.475 368 L HA 0.520 4.859 4.340 -0.000 0.000 0.253 368 L C 1.612 178.557 176.870 0.126 0.000 1.198 368 L CA 0.694 55.610 54.840 0.126 0.000 0.814 368 L CB 0.737 42.962 42.059 0.277 0.000 1.134 368 L HN 0.517 nan 8.230 nan 0.000 0.478 369 E N 0.670 120.954 120.200 0.139 0.000 2.057 369 E HA 0.056 4.406 4.350 -0.000 0.000 0.191 369 E C 0.090 176.817 176.600 0.211 0.000 0.959 369 E CA 0.402 56.865 56.400 0.107 0.000 0.828 369 E CB 0.367 30.085 29.700 0.030 0.000 0.800 369 E HN 0.545 nan 8.360 nan 0.000 0.460 370 M N 0.413 120.097 119.600 0.140 0.000 2.478 370 M HA 0.484 4.964 4.480 -0.000 0.000 0.327 370 M C 0.126 176.267 176.300 -0.264 0.000 1.187 370 M CA -0.470 54.849 55.300 0.030 0.000 1.022 370 M CB 2.107 34.653 32.600 -0.090 0.000 1.629 370 M HN 0.195 nan 8.290 nan 0.000 0.461 371 G N 0.163 108.524 108.800 -0.731 0.000 2.766 371 G HA2 0.697 4.657 3.960 -0.000 0.000 0.288 371 G HA3 0.697 4.657 3.960 -0.000 0.000 0.288 371 G C -2.165 172.245 174.900 -0.816 0.000 1.408 371 G CA -0.546 43.523 45.100 -1.717 0.000 0.852 371 G HN 0.574 nan 8.290 nan 0.000 0.487 372 V N 0.012 119.403 119.914 -0.872 0.000 2.760 372 V HA 0.783 4.903 4.120 -0.000 0.000 0.309 372 V C -1.250 174.536 176.094 -0.513 0.000 1.077 372 V CA -0.834 61.115 62.300 -0.584 0.000 0.910 372 V CB 1.609 33.044 31.823 -0.647 0.000 1.008 372 V HN 0.852 nan 8.190 nan 0.000 0.424 373 L N 6.115 127.069 121.223 -0.449 0.000 2.346 373 L HA 0.761 5.101 4.340 -0.000 0.000 0.276 373 L C -1.754 174.873 176.870 -0.405 0.000 1.006 373 L CA -0.331 54.344 54.840 -0.276 0.000 0.817 373 L CB 1.792 43.727 42.059 -0.205 0.000 1.272 373 L HN 0.651 nan 8.230 nan 0.000 0.421 374 F N 2.042 121.918 119.950 -0.124 0.000 2.551 374 F HA 0.747 5.274 4.527 -0.000 0.000 0.316 374 F C 0.518 176.057 175.800 -0.435 0.000 1.089 374 F CA -0.589 57.278 58.000 -0.221 0.000 0.915 374 F CB 2.378 41.284 39.000 -0.158 0.000 1.186 374 F HN 0.440 nan 8.300 nan 0.000 0.456 375 G N 2.465 111.162 108.800 -0.171 0.000 2.590 375 G HA2 0.644 4.604 3.960 -0.000 0.000 0.310 375 G HA3 0.644 4.604 3.960 -0.000 0.000 0.310 375 G C -1.977 172.849 174.900 -0.124 0.000 1.347 375 G CA -0.390 44.588 45.100 -0.203 0.000 0.963 375 G HN 0.256 nan 8.290 nan 0.000 0.494 376 F N 0.993 121.099 119.950 0.259 0.000 2.520 376 F HA 0.875 5.402 4.527 -0.000 0.000 0.322 376 F C 0.679 176.645 175.800 0.277 0.000 1.103 376 F CA -1.164 56.983 58.000 0.245 0.000 0.926 376 F CB 2.441 41.592 39.000 0.251 0.000 1.154 376 F HN 0.783 nan 8.300 nan 0.000 0.453 377 G N 1.072 110.192 108.800 0.534 0.000 2.606 377 G HA2 0.576 4.536 3.960 -0.000 0.000 0.300 377 G HA3 0.576 4.536 3.960 -0.000 0.000 0.300 377 G C -3.352 171.819 174.900 0.452 0.000 1.360 377 G CA -1.471 43.973 45.100 0.573 0.000 0.783 377 G HN 0.243 nan 8.290 nan 0.000 0.484 378 P HA 0.242 nan 4.420 nan 0.000 0.260 378 P C 0.683 178.110 177.300 0.211 0.000 1.172 378 P CA 1.552 64.812 63.100 0.268 0.000 0.760 378 P CB 1.140 32.977 31.700 0.229 0.000 0.773 379 G N 3.087 111.952 108.800 0.109 0.000 4.426 379 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.182 379 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.182 379 G C -0.497 174.417 174.900 0.023 0.000 1.373 379 G CA -0.383 44.740 45.100 0.038 0.000 0.879 379 G HN 0.535 nan 8.290 nan 0.000 0.294 380 L N 2.802 124.040 121.223 0.026 0.000 2.397 380 L HA 0.619 4.959 4.340 -0.000 0.000 0.271 380 L C -0.276 176.596 176.870 0.003 0.000 1.148 380 L CA 0.019 54.888 54.840 0.048 0.000 0.825 380 L CB 1.404 43.493 42.059 0.050 0.000 1.117 380 L HN 0.266 nan 8.230 nan 0.000 0.456 381 T N 5.459 120.003 114.554 -0.017 0.000 2.794 381 T HA 0.506 4.856 4.350 -0.000 0.000 0.280 381 T C -0.228 174.437 174.700 -0.059 0.000 0.987 381 T CA -0.395 61.580 62.100 -0.208 0.000 0.993 381 T CB 1.336 69.695 68.868 -0.849 0.000 0.939 381 T HN 0.237 nan 8.240 nan 0.000 0.449 382 I N 3.353 123.909 120.570 -0.025 0.000 2.382 382 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 382 I C 0.182 176.345 176.117 0.078 0.000 1.002 382 I CA -0.668 60.731 61.300 0.165 0.000 1.135 382 I CB 1.499 39.630 38.000 0.218 0.000 1.288 382 I HN 0.565 nan 8.210 nan 0.000 0.448 383 E N 5.165 125.429 120.200 0.107 0.000 2.133 383 E HA 0.388 4.737 4.350 -0.000 0.000 0.274 383 E C -0.608 176.007 176.600 0.025 0.000 0.930 383 E CA -0.349 56.068 56.400 0.028 0.000 0.770 383 E CB 2.075 31.802 29.700 0.045 0.000 1.104 383 E HN 0.421 nan 8.360 nan 0.000 0.403 384 T N 1.554 116.072 114.554 -0.061 0.000 2.797 384 T HA 0.446 4.795 4.350 -0.000 0.000 0.279 384 T C -0.106 174.466 174.700 -0.215 0.000 0.991 384 T CA -0.632 61.319 62.100 -0.248 0.000 0.979 384 T CB 1.386 70.196 68.868 -0.098 0.000 0.943 384 T HN 0.086 nan 8.240 nan 0.000 0.444 385 V N 3.585 123.311 119.914 -0.314 0.000 2.447 385 V HA 0.416 4.536 4.120 -0.000 0.000 0.292 385 V C 0.096 176.085 176.094 -0.176 0.000 1.021 385 V CA -1.117 61.082 62.300 -0.168 0.000 0.850 385 V CB 1.529 33.261 31.823 -0.152 0.000 1.005 385 V HN 0.863 nan 8.190 nan 0.000 0.426 386 V N 4.727 124.619 119.914 -0.037 0.000 2.432 386 V HA 0.672 4.791 4.120 -0.000 0.000 0.271 386 V C -0.325 175.746 176.094 -0.039 0.000 1.046 386 V CA -0.160 62.092 62.300 -0.080 0.000 0.945 386 V CB 0.908 32.654 31.823 -0.128 0.000 0.992 386 V HN 0.649 nan 8.190 nan 0.000 0.471 387 L N 4.454 125.626 121.223 -0.085 0.000 2.313 387 L HA 0.725 5.065 4.340 -0.000 0.000 0.268 387 L C 0.135 177.037 176.870 0.053 0.000 1.010 387 L CA -0.903 53.937 54.840 -0.001 0.000 0.814 387 L CB 2.069 44.153 42.059 0.041 0.000 1.304 387 L HN 0.516 nan 8.230 nan 0.000 0.441 388 K N 1.345 121.826 120.400 0.135 0.000 2.502 388 K HA 0.323 4.643 4.320 -0.000 0.000 0.254 388 K C -0.453 176.287 176.600 0.234 0.000 0.947 388 K CA -0.241 56.106 56.287 0.100 0.000 0.834 388 K CB 2.070 34.488 32.500 -0.137 0.000 1.112 388 K HN 0.793 nan 8.250 nan 0.000 0.427 389 S N 0.962 116.826 115.700 0.273 0.000 2.634 389 S HA 0.390 4.859 4.470 -0.000 0.000 0.254 389 S C 0.288 174.807 174.600 -0.134 0.000 1.299 389 S CA -0.581 57.630 58.200 0.019 0.000 0.974 389 S CB 0.784 63.908 63.200 -0.126 0.000 1.001 389 S HN 0.201 nan 8.310 nan 0.000 0.584 390 V N 2.751 122.498 119.914 -0.277 0.000 2.577 390 V HA 0.467 4.587 4.120 -0.000 0.000 0.303 390 V C -2.322 173.660 176.094 -0.186 0.000 1.042 390 V CA -1.944 60.231 62.300 -0.209 0.000 0.872 390 V CB 1.952 33.635 31.823 -0.234 0.000 0.998 390 V HN 0.880 nan 8.190 nan 0.000 0.423 391 P HA 0.187 nan 4.420 nan 0.000 0.268 391 P C -0.691 176.548 177.300 -0.101 0.000 1.205 391 P CA 0.002 63.042 63.100 -0.100 0.000 0.771 391 P CB 1.068 32.726 31.700 -0.070 0.000 0.858 392 I N -0.105 120.409 120.570 -0.093 0.000 2.377 392 I HA 0.458 4.628 4.170 -0.000 0.000 0.293 392 I C 0.081 176.163 176.117 -0.059 0.000 0.987 392 I CA -0.752 60.498 61.300 -0.082 0.000 1.185 392 I CB 1.287 39.235 38.000 -0.087 0.000 1.341 392 I HN 0.078 nan 8.210 nan 0.000 0.455 393 Q N 0.000 119.770 119.800 -0.050 0.000 2.315 393 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 393 Q CA 0.000 55.780 55.803 -0.038 0.000 1.022 393 Q CB 0.000 28.718 28.738 -0.034 0.000 1.108 393 Q HN 0.000 nan 8.270 nan 0.000 0.481