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 3nl3_1_B DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PTLTKKNPXX DATA SEQUENCE XXXGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL STKNSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSATETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSKGTXXTS VEDIPCVAVE DATA SEQUENCE XXXXXXXXXX XXXXXSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.435 176.600 -0.275 0.000 0.988 2 K CA 0.000 56.181 56.287 -0.176 0.000 0.838 2 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 3 F N 1.275 121.204 119.950 -0.034 0.000 2.408 3 F HA 0.510 5.038 4.527 0.001 0.000 0.325 3 F C 1.018 176.906 175.800 0.146 0.000 1.082 3 F CA -0.383 57.612 58.000 -0.008 0.000 1.032 3 F CB 1.827 40.725 39.000 -0.171 0.000 1.259 3 F HN 0.494 nan 8.300 nan 0.000 0.503 4 S N -0.222 115.703 115.700 0.374 0.000 2.600 4 S HA 0.387 4.858 4.470 0.001 0.000 0.300 4 S C 0.614 175.441 174.600 0.379 0.000 1.087 4 S CA -0.974 57.409 58.200 0.305 0.000 0.965 4 S CB 1.986 65.286 63.200 0.166 0.000 1.089 4 S HN 0.709 nan 8.310 nan 0.000 0.496 5 K N 0.680 121.204 120.400 0.207 0.000 2.128 5 K HA -0.286 4.035 4.320 0.001 0.000 0.220 5 K C 1.275 178.013 176.600 0.231 0.000 1.049 5 K CA 2.642 59.001 56.287 0.120 0.000 0.948 5 K CB -0.394 32.162 32.500 0.093 0.000 0.742 5 K HN 0.755 nan 8.250 nan 0.000 0.465 6 E N -0.103 120.225 120.200 0.213 0.000 2.481 6 E HA -0.056 4.295 4.350 0.001 0.000 0.195 6 E C 1.401 178.112 176.600 0.183 0.000 1.047 6 E CA 0.457 56.969 56.400 0.186 0.000 0.867 6 E CB 0.239 30.022 29.700 0.139 0.000 0.858 6 E HN 0.344 nan 8.360 nan 0.000 0.513 7 Q N -0.547 119.393 119.800 0.233 0.000 2.425 7 Q HA 0.097 4.438 4.340 0.001 0.000 0.204 7 Q C -0.370 175.665 176.000 0.058 0.000 0.933 7 Q CA -0.092 55.810 55.803 0.166 0.000 0.939 7 Q CB 0.247 29.119 28.738 0.223 0.000 1.044 7 Q HN 0.213 nan 8.270 nan 0.000 0.513 8 F N 1.832 121.706 119.950 -0.126 0.000 2.472 8 F HA 0.028 4.556 4.527 0.001 0.000 0.364 8 F C 0.455 175.979 175.800 -0.460 0.000 1.090 8 F CA -0.523 57.230 58.000 -0.412 0.000 1.188 8 F CB 0.535 39.193 39.000 -0.570 0.000 1.105 8 F HN -0.137 nan 8.300 nan 0.000 0.536 9 D N 3.883 124.047 120.400 -0.393 0.000 2.454 9 D HA 0.111 4.752 4.640 0.001 0.000 0.225 9 D C -0.093 176.015 176.300 -0.319 0.000 1.081 9 D CA -0.311 53.538 54.000 -0.251 0.000 0.864 9 D CB 0.226 40.928 40.800 -0.162 0.000 1.040 9 D HN 0.417 nan 8.370 nan 0.000 0.517 10 Y N 1.989 122.247 120.300 -0.071 0.000 2.502 10 Y HA 0.026 4.576 4.550 0.001 0.000 0.295 10 Y C 2.332 178.215 175.900 -0.028 0.000 1.193 10 Y CA -0.214 57.824 58.100 -0.103 0.000 1.295 10 Y CB 0.121 38.534 38.460 -0.078 0.000 1.059 10 Y HN 0.301 nan 8.280 nan 0.000 0.514 11 S N 0.685 116.434 115.700 0.081 0.000 2.460 11 S HA -0.232 4.239 4.470 0.001 0.000 0.241 11 S C 0.551 175.197 174.600 0.077 0.000 1.051 11 S CA 1.339 59.582 58.200 0.071 0.000 1.223 11 S CB -0.531 62.686 63.200 0.029 0.000 1.160 11 S HN 0.274 nan 8.310 nan 0.000 0.424 12 L N 1.189 122.443 121.223 0.051 0.000 2.318 12 L HA 0.465 4.806 4.340 0.001 0.000 0.277 12 L C -1.478 175.454 176.870 0.102 0.000 1.008 12 L CA -0.636 54.240 54.840 0.060 0.000 0.846 12 L CB 0.955 43.026 42.059 0.021 0.000 1.220 12 L HN 0.298 nan 8.230 nan 0.000 0.423 13 Y N 6.093 126.380 120.300 -0.021 0.000 2.369 13 Y HA 0.494 5.044 4.550 0.001 0.000 0.337 13 Y C -1.234 174.645 175.900 -0.035 0.000 0.961 13 Y CA -1.633 56.453 58.100 -0.023 0.000 1.186 13 Y CB 1.465 39.935 38.460 0.016 0.000 1.139 13 Y HN 0.622 nan 8.280 nan 0.000 0.494 14 L N 7.552 128.949 121.223 0.290 0.000 2.260 14 L HA 0.517 4.857 4.340 0.001 0.000 0.289 14 L C -1.242 175.671 176.870 0.072 0.000 1.057 14 L CA -0.243 54.653 54.840 0.092 0.000 0.811 14 L CB 0.769 42.849 42.059 0.033 0.000 1.184 14 L HN 0.375 nan 8.230 nan 0.000 0.429 15 V N 4.732 124.606 119.914 -0.068 0.000 2.347 15 V HA 0.410 4.530 4.120 0.001 0.000 0.280 15 V C 0.612 176.672 176.094 -0.057 0.000 1.021 15 V CA -0.300 61.944 62.300 -0.093 0.000 0.847 15 V CB 1.426 33.117 31.823 -0.219 0.000 0.990 15 V HN 0.916 nan 8.190 nan 0.000 0.444 16 T N 1.173 115.711 114.554 -0.026 0.000 2.849 16 T HA 0.503 4.854 4.350 0.001 0.000 0.284 16 T C -0.566 174.113 174.700 -0.035 0.000 1.004 16 T CA -0.454 61.630 62.100 -0.027 0.000 1.021 16 T CB 1.547 70.403 68.868 -0.019 0.000 1.013 16 T HN 0.684 nan 8.240 nan 0.000 0.527 17 D N -0.178 120.204 120.400 -0.030 0.000 2.613 17 D HA 0.317 4.958 4.640 0.001 0.000 0.230 17 D C 0.692 176.980 176.300 -0.019 0.000 1.365 17 D CA -0.495 53.488 54.000 -0.030 0.000 0.976 17 D CB 1.705 42.489 40.800 -0.026 0.000 1.415 17 D HN 0.408 nan 8.370 nan 0.000 0.589 18 S N 1.920 117.607 115.700 -0.022 0.000 2.368 18 S HA 0.045 4.516 4.470 0.001 0.000 0.225 18 S C 1.502 176.105 174.600 0.006 0.000 1.030 18 S CA 1.192 59.393 58.200 0.001 0.000 0.999 18 S CB -0.127 63.080 63.200 0.011 0.000 0.844 18 S HN 0.576 nan 8.310 nan 0.000 0.459 19 G N 0.597 109.395 108.800 -0.004 0.000 3.636 19 G HA2 0.475 4.436 3.960 0.001 0.000 0.260 19 G HA3 0.475 4.436 3.960 0.001 0.000 0.260 19 G C 0.055 174.953 174.900 -0.004 0.000 1.014 19 G CA -0.244 44.853 45.100 -0.005 0.000 1.797 19 G HN 0.490 nan 8.290 nan 0.000 0.637 20 M N 0.371 119.970 119.600 -0.001 0.000 2.309 20 M HA 0.327 4.808 4.480 0.001 0.000 0.438 20 M C -0.579 175.723 176.300 0.003 0.000 1.004 20 M CA -0.042 55.258 55.300 0.000 0.000 1.024 20 M CB 0.524 33.123 32.600 -0.002 0.000 2.095 20 M HN 0.044 nan 8.290 nan 0.000 0.701 21 I N 3.646 124.219 120.570 0.006 0.000 2.496 21 I HA 0.252 4.423 4.170 0.001 0.000 0.285 21 I C -1.958 174.165 176.117 0.009 0.000 1.080 21 I CA -1.620 59.686 61.300 0.010 0.000 1.404 21 I CB 0.242 38.252 38.000 0.018 0.000 1.403 21 I HN 0.075 nan 8.210 nan 0.000 0.539 22 P HA 0.097 nan 4.420 nan 0.000 0.270 22 P C -0.467 176.838 177.300 0.009 0.000 1.223 22 P CA -0.397 62.707 63.100 0.006 0.000 0.785 22 P CB 0.446 32.149 31.700 0.006 0.000 0.923 23 E N 0.517 120.720 120.200 0.006 0.000 2.442 23 E HA 0.206 4.557 4.350 0.001 0.000 0.262 23 E C 1.075 177.681 176.600 0.010 0.000 1.004 23 E CA 0.971 57.375 56.400 0.007 0.000 0.928 23 E CB -0.132 29.570 29.700 0.003 0.000 0.937 23 E HN 0.798 nan 8.360 nan 0.000 0.446 24 G N 2.762 111.569 108.800 0.012 0.000 2.148 24 G HA2 -0.301 3.660 3.960 0.001 0.000 0.254 24 G HA3 -0.301 3.660 3.960 0.001 0.000 0.254 24 G C -0.026 174.887 174.900 0.021 0.000 0.981 24 G CA 0.349 45.458 45.100 0.015 0.000 0.670 24 G HN 0.413 nan 8.290 nan 0.000 0.528 25 K N 0.414 120.829 120.400 0.024 0.000 2.375 25 K HA 0.641 4.962 4.320 0.001 0.000 0.249 25 K C 0.093 176.719 176.600 0.042 0.000 0.942 25 K CA -0.183 56.123 56.287 0.032 0.000 0.806 25 K CB 1.967 34.481 32.500 0.024 0.000 1.227 25 K HN 0.261 nan 8.250 nan 0.000 0.430 26 T N -1.065 113.525 114.554 0.060 0.000 2.950 26 T HA 0.229 4.579 4.350 0.001 0.000 0.288 26 T C 0.886 175.636 174.700 0.084 0.000 1.035 26 T CA -0.905 61.243 62.100 0.081 0.000 1.028 26 T CB 1.178 70.111 68.868 0.107 0.000 1.109 26 T HN 0.402 nan 8.240 nan 0.000 0.514 27 L N 0.436 121.714 121.223 0.091 0.000 2.046 27 L HA 0.036 4.376 4.340 0.001 0.000 0.208 27 L C 2.200 179.113 176.870 0.072 0.000 1.077 27 L CA 1.679 56.559 54.840 0.066 0.000 0.747 27 L CB -1.340 40.755 42.059 0.060 0.000 0.896 27 L HN 0.840 nan 8.230 nan 0.000 0.432 28 Y N 0.139 120.441 120.300 0.003 0.000 2.128 28 Y HA -0.189 4.361 4.550 0.001 0.000 0.284 28 Y C 2.326 178.224 175.900 -0.003 0.000 1.154 28 Y CA 2.084 60.183 58.100 -0.001 0.000 1.149 28 Y CB -0.742 37.722 38.460 0.007 0.000 0.976 28 Y HN 0.245 nan 8.280 nan 0.000 0.505 29 G N -0.462 108.452 108.800 0.190 0.000 2.446 29 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 29 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 29 G C 1.441 176.345 174.900 0.007 0.000 1.168 29 G CA 1.025 46.189 45.100 0.107 0.000 0.771 29 G HN 0.336 nan 8.290 nan 0.000 0.551 30 Q N 0.215 120.012 119.800 -0.004 0.000 2.016 30 Q HA -0.032 4.309 4.340 0.001 0.000 0.200 30 Q C 3.018 178.971 176.000 -0.078 0.000 0.978 30 Q CA 1.107 56.892 55.803 -0.030 0.000 0.833 30 Q CB -1.113 27.615 28.738 -0.017 0.000 0.895 30 Q HN 0.377 nan 8.270 nan 0.000 0.427 31 V N 1.571 121.419 119.914 -0.110 0.000 2.469 31 V HA -0.247 3.873 4.120 0.001 0.000 0.251 31 V C 2.320 178.270 176.094 -0.240 0.000 1.064 31 V CA 1.976 64.179 62.300 -0.163 0.000 1.066 31 V CB -0.573 31.144 31.823 -0.177 0.000 0.667 31 V HN 0.432 nan 8.190 nan 0.000 0.461 32 E N 0.463 120.496 120.200 -0.277 0.000 2.028 32 E HA -0.218 4.132 4.350 0.001 0.000 0.191 32 E C 2.293 178.777 176.600 -0.192 0.000 0.988 32 E CA 1.343 57.572 56.400 -0.284 0.000 0.799 32 E CB -0.264 29.310 29.700 -0.211 0.000 0.755 32 E HN 0.550 nan 8.360 nan 0.000 0.447 33 A N 0.573 123.326 122.820 -0.112 0.000 1.940 33 A HA -0.117 4.204 4.320 0.001 0.000 0.219 33 A C 2.337 179.869 177.584 -0.087 0.000 1.176 33 A CA 1.753 53.747 52.037 -0.071 0.000 0.631 33 A CB -0.994 17.983 19.000 -0.039 0.000 0.814 33 A HN 0.452 nan 8.150 nan 0.000 0.446 34 G N -0.999 107.737 108.800 -0.107 0.000 2.572 34 G HA2 0.093 4.054 3.960 0.001 0.000 0.216 34 G HA3 0.093 4.054 3.960 0.001 0.000 0.216 34 G C 1.420 176.242 174.900 -0.130 0.000 1.133 34 G CA 0.658 45.700 45.100 -0.097 0.000 0.791 34 G HN 0.430 nan 8.290 nan 0.000 0.538 35 L N -0.496 120.595 121.223 -0.221 0.000 2.209 35 L HA 0.065 4.406 4.340 0.001 0.000 0.207 35 L C 2.813 179.545 176.870 -0.230 0.000 1.094 35 L CA 0.547 55.199 54.840 -0.314 0.000 0.790 35 L CB -0.119 41.550 42.059 -0.651 0.000 0.932 35 L HN 0.196 nan 8.230 nan 0.000 0.447 36 Q N -0.071 119.626 119.800 -0.173 0.000 2.488 36 Q HA -0.019 4.321 4.340 0.001 0.000 0.211 36 Q C 0.615 176.610 176.000 -0.008 0.000 0.967 36 Q CA 0.596 56.385 55.803 -0.023 0.000 0.926 36 Q CB 0.190 28.934 28.738 0.010 0.000 0.992 36 Q HN 0.527 nan 8.270 nan 0.000 0.506 37 N N -1.470 117.210 118.700 -0.034 0.000 2.167 37 N HA 0.161 4.901 4.740 0.001 0.000 0.234 37 N C 0.243 175.741 175.510 -0.020 0.000 1.312 37 N CA 0.665 53.704 53.050 -0.018 0.000 0.861 37 N CB 2.139 40.615 38.487 -0.018 0.000 1.217 37 N HN 0.215 nan 8.380 nan 0.000 0.504 38 G N 0.779 109.561 108.800 -0.030 0.000 1.876 38 G HA2 0.138 4.098 3.960 0.001 0.000 0.059 38 G HA3 0.138 4.098 3.960 0.001 0.000 0.059 38 G C -0.030 174.843 174.900 -0.045 0.000 0.755 38 G CA -0.033 45.050 45.100 -0.027 0.000 1.092 38 G HN 0.433 nan 8.290 nan 0.000 0.322 39 V N 1.079 120.967 119.914 -0.043 0.000 5.373 39 V HA 0.138 4.259 4.120 0.001 0.000 0.339 39 V C 1.491 177.536 176.094 -0.081 0.000 0.856 39 V CA 3.134 65.404 62.300 -0.051 0.000 1.278 39 V CB -1.233 30.550 31.823 -0.067 0.000 1.439 39 V HN 2.237 nan 8.190 nan 0.000 0.451 40 T N 1.800 116.298 114.554 -0.092 0.000 3.069 40 T HA 0.629 4.980 4.350 0.001 0.000 0.252 40 T C 0.139 174.682 174.700 -0.263 0.000 1.053 40 T CA 0.648 62.659 62.100 -0.148 0.000 0.964 40 T CB 0.619 69.412 68.868 -0.124 0.000 1.005 40 T HN 1.904 nan 8.240 nan 0.000 0.532 41 L N 0.449 121.525 121.223 -0.244 0.000 2.622 41 L HA 0.790 5.131 4.340 0.001 0.000 0.258 41 L C -2.023 174.752 176.870 -0.158 0.000 0.996 41 L CA -1.040 53.578 54.840 -0.370 0.000 0.858 41 L CB 2.347 43.997 42.059 -0.682 0.000 1.449 41 L HN -0.024 nan 8.230 nan 0.000 0.411 42 V N 2.727 122.576 119.914 -0.109 0.000 2.777 42 V HA 0.550 4.670 4.120 0.001 0.000 0.306 42 V C -1.104 175.101 176.094 0.185 0.000 1.112 42 V CA -0.511 61.836 62.300 0.078 0.000 0.917 42 V CB 1.911 33.729 31.823 -0.007 0.000 1.018 42 V HN 0.855 nan 8.190 nan 0.000 0.426 43 Q N 4.304 124.276 119.800 0.287 0.000 2.353 43 Q HA 0.706 5.046 4.340 0.001 0.000 0.268 43 Q C -1.778 174.305 176.000 0.138 0.000 1.045 43 Q CA -0.622 55.335 55.803 0.258 0.000 0.811 43 Q CB 2.294 31.221 28.738 0.315 0.000 1.305 43 Q HN 0.754 nan 8.270 nan 0.000 0.447 44 I N 3.927 124.586 120.570 0.148 0.000 2.377 44 I HA 0.477 4.648 4.170 0.001 0.000 0.293 44 I C -0.375 175.824 176.117 0.136 0.000 0.987 44 I CA -0.760 60.608 61.300 0.114 0.000 1.185 44 I CB 1.623 39.714 38.000 0.151 0.000 1.341 44 I HN 0.679 nan 8.210 nan 0.000 0.455 45 R N 4.979 125.489 120.500 0.016 0.000 2.873 45 R HA 0.723 5.063 4.340 0.001 0.000 0.264 45 R C -1.050 175.081 176.300 -0.283 0.000 1.026 45 R CA -0.955 55.141 56.100 -0.007 0.000 1.002 45 R CB 1.832 32.131 30.300 -0.002 0.000 1.174 45 R HN 0.338 nan 8.270 nan 0.000 0.488 46 E N 0.214 120.251 120.200 -0.271 0.000 2.651 46 E HA 0.108 4.458 4.350 0.001 0.000 0.360 46 E C -0.983 175.586 176.600 -0.052 0.000 0.932 46 E CA -0.110 56.077 56.400 -0.354 0.000 0.761 46 E CB 1.555 30.693 29.700 -0.937 0.000 1.462 46 E HN 0.754 nan 8.360 nan 0.000 0.392 47 K N 1.058 121.459 120.400 0.001 0.000 2.373 47 K HA 0.170 4.490 4.320 0.001 0.000 0.202 47 K C 0.350 176.978 176.600 0.046 0.000 1.025 47 K CA 0.382 56.704 56.287 0.058 0.000 1.115 47 K CB 0.345 32.876 32.500 0.052 0.000 0.858 47 K HN 0.126 nan 8.250 nan 0.000 0.525 48 D N -0.773 119.642 120.400 0.026 0.000 2.594 48 D HA 0.315 4.956 4.640 0.001 0.000 0.256 48 D C -0.070 176.245 176.300 0.026 0.000 1.393 48 D CA 0.311 54.325 54.000 0.023 0.000 0.797 48 D CB 0.947 41.751 40.800 0.006 0.000 1.110 48 D HN 0.476 nan 8.370 nan 0.000 0.495 49 A N -0.036 122.815 122.820 0.053 0.000 2.282 49 A HA 0.524 4.845 4.320 0.001 0.000 0.324 49 A C -0.322 177.343 177.584 0.135 0.000 1.119 49 A CA -0.522 51.567 52.037 0.088 0.000 0.880 49 A CB 1.061 20.154 19.000 0.154 0.000 1.294 49 A HN -0.182 nan 8.150 nan 0.000 0.493 50 D N 0.677 121.169 120.400 0.154 0.000 2.312 50 D HA 0.265 4.906 4.640 0.001 0.000 0.252 50 D C 0.897 177.348 176.300 0.252 0.000 1.150 50 D CA 0.284 54.383 54.000 0.165 0.000 0.870 50 D CB 1.240 42.116 40.800 0.127 0.000 1.153 50 D HN 0.465 nan 8.370 nan 0.000 0.457 51 T N 1.863 116.544 114.554 0.210 0.000 2.996 51 T HA -0.191 4.160 4.350 0.001 0.000 0.271 51 T C 1.604 176.417 174.700 0.188 0.000 1.126 51 T CA 1.039 63.269 62.100 0.218 0.000 1.103 51 T CB 0.291 69.227 68.868 0.113 0.000 0.870 51 T HN 0.407 nan 8.240 nan 0.000 0.528 52 K N 0.106 120.618 120.400 0.186 0.000 2.168 52 K HA 0.083 4.403 4.320 0.001 0.000 0.201 52 K C 1.948 178.665 176.600 0.196 0.000 1.049 52 K CA 0.203 56.580 56.287 0.150 0.000 0.974 52 K CB -0.199 32.372 32.500 0.119 0.000 0.792 52 K HN 0.282 nan 8.250 nan 0.000 0.463 53 F N 1.301 121.317 119.950 0.110 0.000 2.171 53 F HA -0.167 4.360 4.527 0.001 0.000 0.300 53 F C 1.773 177.675 175.800 0.169 0.000 1.090 53 F CA 1.027 59.089 58.000 0.103 0.000 1.293 53 F CB -0.311 38.727 39.000 0.065 0.000 1.013 53 F HN 0.045 nan 8.300 nan 0.000 0.486 54 F N 1.476 121.418 119.950 -0.013 0.000 2.043 54 F HA -0.260 4.267 4.527 0.001 0.000 0.297 54 F C 2.190 177.905 175.800 -0.142 0.000 1.121 54 F CA 1.855 59.800 58.000 -0.092 0.000 1.199 54 F CB -1.086 37.933 39.000 0.031 0.000 0.968 54 F HN 0.009 nan 8.300 nan 0.000 0.478 55 I N -0.075 120.599 120.570 0.174 0.000 2.264 55 I HA -0.300 3.871 4.170 0.001 0.000 0.248 55 I C 2.226 178.344 176.117 0.002 0.000 1.111 55 I CA 1.653 62.968 61.300 0.024 0.000 1.382 55 I CB -0.617 37.370 38.000 -0.021 0.000 1.060 55 I HN 0.249 nan 8.210 nan 0.000 0.418 56 E N 0.466 120.643 120.200 -0.037 0.000 2.106 56 E HA -0.239 4.111 4.350 0.001 0.000 0.192 56 E C 2.073 178.602 176.600 -0.118 0.000 0.984 56 E CA 0.932 57.290 56.400 -0.069 0.000 0.806 56 E CB -0.033 29.630 29.700 -0.061 0.000 0.750 56 E HN 0.459 nan 8.360 nan 0.000 0.458 57 E N 0.382 120.438 120.200 -0.240 0.000 2.107 57 E HA -0.131 4.219 4.350 0.001 0.000 0.191 57 E C 2.002 178.574 176.600 -0.046 0.000 0.982 57 E CA 0.713 56.977 56.400 -0.226 0.000 0.809 57 E CB 0.031 29.456 29.700 -0.458 0.000 0.756 57 E HN 0.208 nan 8.360 nan 0.000 0.459 58 A N 0.961 123.802 122.820 0.035 0.000 1.873 58 A HA -0.146 4.175 4.320 0.001 0.000 0.215 58 A C 2.140 179.736 177.584 0.020 0.000 1.186 58 A CA 0.991 53.075 52.037 0.079 0.000 0.616 58 A CB -0.602 18.474 19.000 0.126 0.000 0.823 58 A HN 0.247 nan 8.150 nan 0.000 0.442 59 L N -0.973 120.251 121.223 0.001 0.000 2.046 59 L HA -0.232 4.109 4.340 0.001 0.000 0.208 59 L C 2.889 179.763 176.870 0.006 0.000 1.077 59 L CA 1.739 56.572 54.840 -0.011 0.000 0.747 59 L CB -0.615 41.438 42.059 -0.010 0.000 0.896 59 L HN 0.547 nan 8.230 nan 0.000 0.432 60 Q N 0.365 120.178 119.800 0.022 0.000 2.135 60 Q HA -0.224 4.116 4.340 0.001 0.000 0.204 60 Q C 2.220 178.314 176.000 0.157 0.000 0.981 60 Q CA 1.623 57.471 55.803 0.075 0.000 0.856 60 Q CB 0.049 28.821 28.738 0.056 0.000 0.902 60 Q HN 0.563 nan 8.270 nan 0.000 0.425 61 I N -0.174 120.451 120.570 0.091 0.000 2.852 61 I HA -0.140 4.030 4.170 0.001 0.000 0.264 61 I C 2.317 178.423 176.117 -0.018 0.000 1.179 61 I CA 0.382 61.709 61.300 0.045 0.000 1.480 61 I CB -0.140 37.868 38.000 0.014 0.000 1.111 61 I HN 0.166 nan 8.210 nan 0.000 0.441 62 K N 1.453 121.821 120.400 -0.053 0.000 2.057 62 K HA -0.199 4.122 4.320 0.001 0.000 0.207 62 K C 1.865 178.341 176.600 -0.207 0.000 1.049 62 K CA 1.417 57.590 56.287 -0.190 0.000 0.931 62 K CB 0.084 32.434 32.500 -0.250 0.000 0.714 62 K HN 0.261 nan 8.250 nan 0.000 0.440 63 E N 0.765 120.927 120.200 -0.063 0.000 2.085 63 E HA -0.223 4.128 4.350 0.001 0.000 0.194 63 E C 2.082 178.741 176.600 0.098 0.000 0.994 63 E CA 1.092 57.511 56.400 0.032 0.000 0.801 63 E CB -0.069 29.676 29.700 0.075 0.000 0.743 63 E HN 0.322 nan 8.360 nan 0.000 0.453 64 L N 0.447 121.728 121.223 0.098 0.000 1.994 64 L HA -0.253 4.088 4.340 0.001 0.000 0.208 64 L C 2.506 179.456 176.870 0.134 0.000 1.071 64 L CA 1.354 56.247 54.840 0.087 0.000 0.745 64 L CB -0.275 41.696 42.059 -0.148 0.000 0.892 64 L HN 0.372 nan 8.230 nan 0.000 0.431 65 C N -0.878 118.457 119.300 0.058 0.000 2.436 65 C HA -0.192 4.268 4.460 0.001 0.000 0.277 65 C C 2.597 177.741 174.990 0.257 0.000 1.241 65 C CA 0.543 59.619 59.018 0.097 0.000 1.721 65 C CB -1.373 26.389 27.740 0.036 0.000 2.043 65 C HN 0.576 nan 8.230 nan 0.000 0.472 66 H N 1.105 120.239 119.070 0.106 0.000 2.390 66 H HA -0.077 4.479 4.556 0.001 0.000 0.298 66 H C 2.369 177.751 175.328 0.090 0.000 1.106 66 H CA 1.812 57.937 56.048 0.128 0.000 1.297 66 H CB -0.916 28.905 29.762 0.098 0.000 1.375 66 H HN 0.494 nan 8.280 nan 0.000 0.509 67 A N 0.292 123.239 122.820 0.212 0.000 1.948 67 A HA -0.222 4.098 4.320 0.001 0.000 0.220 67 A C 1.379 178.945 177.584 -0.029 0.000 1.177 67 A CA 1.960 54.043 52.037 0.075 0.000 0.636 67 A CB -0.597 18.445 19.000 0.069 0.000 0.815 67 A HN 0.533 nan 8.150 nan 0.000 0.449 68 H N -1.716 117.383 119.070 0.050 0.000 2.519 68 H HA 0.201 4.758 4.556 0.001 0.000 0.289 68 H C 0.489 175.838 175.328 0.034 0.000 1.040 68 H CA 0.285 56.346 56.048 0.022 0.000 1.165 68 H CB -0.121 29.637 29.762 -0.008 0.000 1.462 68 H HN 0.577 nan 8.280 nan 0.000 0.555 69 N N 0.459 119.255 118.700 0.160 0.000 2.725 69 N HA -0.184 4.557 4.740 0.001 0.000 0.251 69 N C -1.039 174.597 175.510 0.211 0.000 1.031 69 N CA 0.785 53.951 53.050 0.194 0.000 0.720 69 N CB -1.032 37.512 38.487 0.095 0.000 0.930 69 N HN 0.283 nan 8.380 nan 0.000 0.543 70 V N -0.582 119.397 119.914 0.109 0.000 2.638 70 V HA 0.831 4.951 4.120 0.001 0.000 0.306 70 V C -2.427 173.439 176.094 -0.381 0.000 1.052 70 V CA -1.860 60.294 62.300 -0.242 0.000 0.885 70 V CB 2.149 33.865 31.823 -0.178 0.000 0.999 70 V HN 0.033 nan 8.190 nan 0.000 0.424 71 P HA 0.299 nan 4.420 nan 0.000 0.270 71 P C -1.152 175.999 177.300 -0.249 0.000 1.223 71 P CA -0.182 62.453 63.100 -0.776 0.000 0.785 71 P CB 0.555 31.440 31.700 -1.360 0.000 0.923 72 L N 2.854 124.064 121.223 -0.021 0.000 2.333 72 L HA 0.515 4.856 4.340 0.001 0.000 0.280 72 L C -1.036 175.903 176.870 0.116 0.000 1.004 72 L CA -0.321 54.538 54.840 0.033 0.000 0.820 72 L CB 0.545 42.618 42.059 0.023 0.000 1.247 72 L HN 0.228 nan 8.230 nan 0.000 0.416 73 I N 5.633 126.297 120.570 0.157 0.000 2.562 73 I HA 0.459 4.629 4.170 0.001 0.000 0.301 73 I C -0.488 175.771 176.117 0.236 0.000 1.003 73 I CA -0.658 60.787 61.300 0.242 0.000 1.127 73 I CB 1.953 40.164 38.000 0.351 0.000 1.304 73 I HN 0.532 nan 8.210 nan 0.000 0.446 74 I N 5.190 125.898 120.570 0.230 0.000 2.646 74 I HA 0.373 4.544 4.170 0.001 0.000 0.299 74 I C -0.610 175.652 176.117 0.241 0.000 1.036 74 I CA -0.555 60.879 61.300 0.223 0.000 1.074 74 I CB 2.149 40.236 38.000 0.144 0.000 1.258 74 I HN 0.651 nan 8.210 nan 0.000 0.430 75 N N 3.990 122.850 118.700 0.267 0.000 2.369 75 N HA 0.193 4.934 4.740 0.001 0.000 0.287 75 N C -1.521 174.143 175.510 0.257 0.000 1.067 75 N CA -0.523 52.678 53.050 0.251 0.000 0.888 75 N CB 2.379 41.024 38.487 0.263 0.000 1.616 75 N HN 0.664 nan 8.380 nan 0.000 0.482 76 D N 1.600 122.126 120.400 0.209 0.000 2.538 76 D HA 0.141 4.781 4.640 0.001 0.000 0.231 76 D C -0.433 175.932 176.300 0.108 0.000 1.229 76 D CA -0.287 53.811 54.000 0.162 0.000 0.828 76 D CB 0.146 41.036 40.800 0.149 0.000 1.035 76 D HN 0.344 nan 8.370 nan 0.000 0.495 77 R N 0.985 121.537 120.500 0.086 0.000 2.429 77 R HA 0.318 4.659 4.340 0.001 0.000 0.302 77 R C 0.876 177.158 176.300 -0.029 0.000 1.268 77 R CA -0.221 55.879 56.100 -0.001 0.000 1.090 77 R CB 0.453 30.694 30.300 -0.097 0.000 1.102 77 R HN 0.244 nan 8.270 nan 0.000 0.522 78 I N 1.882 122.453 120.570 0.001 0.000 2.208 78 I HA -0.365 3.805 4.170 0.001 0.000 0.245 78 I C 1.866 177.968 176.117 -0.024 0.000 1.097 78 I CA 1.451 62.750 61.300 -0.002 0.000 1.363 78 I CB -0.226 37.776 38.000 0.004 0.000 1.051 78 I HN 0.573 nan 8.210 nan 0.000 0.413 79 D N 1.136 121.514 120.400 -0.036 0.000 2.092 79 D HA -0.167 4.473 4.640 0.001 0.000 0.193 79 D C 2.064 178.318 176.300 -0.076 0.000 0.994 79 D CA 1.368 55.341 54.000 -0.045 0.000 0.828 79 D CB -1.107 39.670 40.800 -0.039 0.000 0.963 79 D HN 0.223 nan 8.370 nan 0.000 0.450 80 V N 1.128 120.958 119.914 -0.139 0.000 2.469 80 V HA -0.206 3.915 4.120 0.001 0.000 0.251 80 V C 2.773 178.783 176.094 -0.141 0.000 1.064 80 V CA 1.724 63.897 62.300 -0.212 0.000 1.066 80 V CB -1.032 30.502 31.823 -0.481 0.000 0.667 80 V HN 0.430 nan 8.190 nan 0.000 0.461 81 A N -0.266 122.500 122.820 -0.089 0.000 1.858 81 A HA -0.244 4.077 4.320 0.001 0.000 0.216 81 A C 2.250 179.831 177.584 -0.004 0.000 1.190 81 A CA 2.297 54.320 52.037 -0.022 0.000 0.617 81 A CB -0.469 18.540 19.000 0.016 0.000 0.827 81 A HN 0.480 nan 8.150 nan 0.000 0.443 82 M N -0.504 119.091 119.600 -0.008 0.000 2.086 82 M HA -0.142 4.338 4.480 0.001 0.000 0.261 82 M C 2.535 178.833 176.300 -0.004 0.000 1.067 82 M CA 1.476 56.777 55.300 0.002 0.000 1.116 82 M CB -0.475 32.123 32.600 -0.003 0.000 1.348 82 M HN 0.474 nan 8.290 nan 0.000 0.407 83 A N 0.896 123.702 122.820 -0.023 0.000 1.940 83 A HA -0.147 4.174 4.320 0.001 0.000 0.219 83 A C 1.936 179.510 177.584 -0.017 0.000 1.176 83 A CA 1.798 53.821 52.037 -0.024 0.000 0.631 83 A CB -0.982 17.993 19.000 -0.042 0.000 0.814 83 A HN 0.727 nan 8.150 nan 0.000 0.446 84 I N -4.693 115.864 120.570 -0.020 0.000 3.928 84 I HA 0.513 4.684 4.170 0.001 0.000 0.335 84 I C 0.964 177.089 176.117 0.013 0.000 1.325 84 I CA 0.365 61.659 61.300 -0.011 0.000 1.107 84 I CB -0.183 37.802 38.000 -0.025 0.000 1.014 84 I HN 0.314 nan 8.210 nan 0.000 0.400 85 G N 2.140 110.957 108.800 0.028 0.000 2.351 85 G HA2 -0.135 3.825 3.960 0.001 0.000 0.297 85 G HA3 -0.135 3.825 3.960 0.001 0.000 0.297 85 G C 0.299 175.254 174.900 0.092 0.000 1.054 85 G CA 0.162 45.298 45.100 0.061 0.000 1.123 85 G HN 0.951 nan 8.290 nan 0.000 0.512 86 A N -0.374 122.497 122.820 0.084 0.000 2.296 86 A HA 0.659 4.979 4.320 0.001 0.000 0.264 86 A C 1.181 178.872 177.584 0.177 0.000 1.097 86 A CA 0.366 52.472 52.037 0.115 0.000 0.811 86 A CB 0.514 19.570 19.000 0.093 0.000 1.072 86 A HN 0.291 nan 8.150 nan 0.000 0.495 87 D N -0.530 120.007 120.400 0.229 0.000 2.366 87 D HA 0.304 4.945 4.640 0.001 0.000 0.205 87 D C 0.694 177.194 176.300 0.335 0.000 1.022 87 D CA 1.475 55.666 54.000 0.318 0.000 0.868 87 D CB 0.609 41.609 40.800 0.333 0.000 0.953 87 D HN 0.763 nan 8.370 nan 0.000 0.514 88 G N 0.716 109.669 108.800 0.256 0.000 2.466 88 G HA2 0.484 4.445 3.960 0.001 0.000 0.291 88 G HA3 0.484 4.445 3.960 0.001 0.000 0.291 88 G C -1.722 173.304 174.900 0.209 0.000 1.460 88 G CA -0.841 44.389 45.100 0.217 0.000 0.791 88 G HN 0.095 nan 8.290 nan 0.000 0.505 89 I N -1.964 118.719 120.570 0.188 0.000 2.647 89 I HA 0.808 4.978 4.170 0.001 0.000 0.295 89 I C -1.083 175.167 176.117 0.221 0.000 1.078 89 I CA -1.168 60.246 61.300 0.191 0.000 1.048 89 I CB 2.515 40.581 38.000 0.111 0.000 1.239 89 I HN 0.644 nan 8.210 nan 0.000 0.421 90 H N 4.819 123.999 119.070 0.183 0.000 2.469 90 H HA 0.807 5.364 4.556 0.001 0.000 0.342 90 H C -1.020 174.387 175.328 0.131 0.000 1.115 90 H CA -0.448 55.696 56.048 0.160 0.000 1.204 90 H CB 1.804 31.708 29.762 0.237 0.000 1.492 90 H HN 0.690 nan 8.280 nan 0.000 0.499 91 V N 2.482 122.352 119.914 -0.074 0.000 3.040 91 V HA 0.863 4.983 4.120 0.001 0.000 0.312 91 V C 0.270 176.452 176.094 0.147 0.000 1.115 91 V CA -0.344 62.030 62.300 0.123 0.000 0.998 91 V CB 1.624 33.515 31.823 0.113 0.000 1.042 91 V HN 0.891 nan 8.190 nan 0.000 0.433 92 G N 0.524 109.433 108.800 0.182 0.000 2.557 92 G HA2 0.445 4.406 3.960 0.001 0.000 0.302 92 G HA3 0.445 4.406 3.960 0.001 0.000 0.302 92 G C 0.102 175.051 174.900 0.082 0.000 1.311 92 G CA -0.080 45.079 45.100 0.098 0.000 1.030 92 G HN 0.885 nan 8.290 nan 0.000 0.509 93 Q N -1.039 118.723 119.800 -0.064 0.000 2.224 93 Q HA -0.026 4.314 4.340 0.001 0.000 0.203 93 Q C 1.001 177.054 176.000 0.088 0.000 0.970 93 Q CA 1.485 57.252 55.803 -0.060 0.000 0.865 93 Q CB 0.186 28.821 28.738 -0.172 0.000 0.922 93 Q HN 0.510 nan 8.270 nan 0.000 0.445 94 D N 0.165 120.608 120.400 0.071 0.000 2.424 94 D HA 0.093 4.733 4.640 0.001 0.000 0.220 94 D C -0.517 175.835 176.300 0.086 0.000 1.150 94 D CA 0.041 54.084 54.000 0.072 0.000 0.831 94 D CB 0.305 41.132 40.800 0.046 0.000 0.981 94 D HN 0.209 nan 8.370 nan 0.000 0.500 95 D N 0.000 120.471 120.400 0.117 0.000 2.567 95 D HA 0.159 4.799 4.640 0.001 0.000 0.275 95 D C 0.538 176.897 176.300 0.098 0.000 1.195 95 D CA -0.655 53.409 54.000 0.106 0.000 1.087 95 D CB 0.729 41.600 40.800 0.118 0.000 1.165 95 D HN -0.062 nan 8.370 nan 0.000 0.609 96 M N 1.352 120.995 119.600 0.071 0.000 2.284 96 M HA 0.130 4.611 4.480 0.001 0.000 0.351 96 M C -2.304 174.010 176.300 0.023 0.000 1.443 96 M CA -0.517 54.806 55.300 0.039 0.000 1.031 96 M CB 0.577 33.189 32.600 0.020 0.000 1.893 96 M HN -0.099 nan 8.290 nan 0.000 0.456 97 P HA -0.082 nan 4.420 nan 0.000 0.265 97 P C 0.563 177.794 177.300 -0.116 0.000 1.187 97 P CA -0.136 62.944 63.100 -0.033 0.000 0.766 97 P CB 0.333 32.018 31.700 -0.025 0.000 0.820 98 I N 5.174 125.600 120.570 -0.240 0.000 2.179 98 I HA -0.129 4.042 4.170 0.001 0.000 0.242 98 I C -0.573 175.417 176.117 -0.210 0.000 1.088 98 I CA 1.932 63.040 61.300 -0.319 0.000 1.357 98 I CB -2.670 34.982 38.000 -0.579 0.000 1.051 98 I HN 0.385 nan 8.210 nan 0.000 0.409 99 P HA -0.218 nan 4.420 nan 0.000 0.215 99 P C 2.068 179.312 177.300 -0.094 0.000 1.163 99 P CA 1.873 64.898 63.100 -0.126 0.000 0.894 99 P CB -0.199 31.439 31.700 -0.104 0.000 0.791 100 M N -1.340 118.214 119.600 -0.078 0.000 2.106 100 M HA -0.165 4.315 4.480 0.001 0.000 0.259 100 M C 2.387 178.654 176.300 -0.054 0.000 1.068 100 M CA 1.830 57.097 55.300 -0.055 0.000 1.100 100 M CB -0.865 31.711 32.600 -0.039 0.000 1.351 100 M HN -0.105 nan 8.290 nan 0.000 0.404 101 I N -0.704 119.824 120.570 -0.069 0.000 2.202 101 I HA -0.265 3.906 4.170 0.001 0.000 0.242 101 I C 2.655 178.737 176.117 -0.060 0.000 1.091 101 I CA 1.026 62.290 61.300 -0.060 0.000 1.368 101 I CB -0.525 37.429 38.000 -0.077 0.000 1.058 101 I HN 0.235 nan 8.210 nan 0.000 0.410 102 R N 1.820 122.271 120.500 -0.081 0.000 2.091 102 R HA -0.187 4.153 4.340 0.001 0.000 0.238 102 R C 2.150 178.417 176.300 -0.056 0.000 1.136 102 R CA 1.671 57.726 56.100 -0.075 0.000 0.959 102 R CB -0.555 29.685 30.300 -0.099 0.000 0.856 102 R HN 0.221 nan 8.270 nan 0.000 0.437 103 K N -0.043 120.324 120.400 -0.054 0.000 2.103 103 K HA -0.108 4.212 4.320 0.001 0.000 0.207 103 K C 1.805 178.387 176.600 -0.031 0.000 1.048 103 K CA 1.600 57.862 56.287 -0.042 0.000 0.930 103 K CB -0.061 32.415 32.500 -0.040 0.000 0.716 103 K HN 0.253 nan 8.250 nan 0.000 0.444 104 L N 0.200 121.406 121.223 -0.028 0.000 2.127 104 L HA -0.058 4.282 4.340 0.001 0.000 0.203 104 L C 2.318 179.180 176.870 -0.014 0.000 1.080 104 L CA 0.548 55.376 54.840 -0.019 0.000 0.768 104 L CB -0.484 41.565 42.059 -0.017 0.000 0.924 104 L HN 0.026 nan 8.230 nan 0.000 0.444 105 V N -2.289 117.616 119.914 -0.015 0.000 3.235 105 V HA 0.397 4.518 4.120 0.001 0.000 0.259 105 V C 1.129 177.220 176.094 -0.004 0.000 1.133 105 V CA 0.072 62.370 62.300 -0.004 0.000 1.128 105 V CB -1.318 30.505 31.823 0.000 0.000 0.757 105 V HN 0.468 nan 8.190 nan 0.000 0.469 106 G N 1.018 109.809 108.800 -0.015 0.000 2.881 106 G HA2 -0.150 3.811 3.960 0.001 0.000 0.681 106 G HA3 -0.150 3.811 3.960 0.001 0.000 0.681 106 G C -2.061 172.831 174.900 -0.014 0.000 1.567 106 G CA -0.357 44.733 45.100 -0.017 0.000 1.013 106 G HN 0.547 nan 8.290 nan 0.000 0.580 107 P HA 0.223 nan 4.420 nan 0.000 0.272 107 P C 0.666 177.968 177.300 0.004 0.000 1.239 107 P CA 1.100 64.188 63.100 -0.019 0.000 0.807 107 P CB 0.200 31.887 31.700 -0.023 0.000 0.951 108 D N -3.909 116.499 120.400 0.013 0.000 2.001 108 D HA -0.156 4.484 4.640 0.001 0.000 0.175 108 D C 0.252 176.590 176.300 0.064 0.000 1.313 108 D CA 1.332 55.358 54.000 0.044 0.000 1.259 108 D CB -1.453 39.377 40.800 0.049 0.000 1.284 108 D HN 0.364 nan 8.370 nan 0.000 0.549 109 M N 1.720 121.346 119.600 0.044 0.000 2.233 109 M HA 0.403 4.884 4.480 0.001 0.000 0.355 109 M C -0.414 175.891 176.300 0.007 0.000 1.191 109 M CA -0.627 54.707 55.300 0.058 0.000 1.101 109 M CB 1.392 34.027 32.600 0.058 0.000 1.592 109 M HN -0.174 nan 8.290 nan 0.000 0.461 110 V N 6.486 126.382 119.914 -0.029 0.000 2.572 110 V HA 0.154 4.275 4.120 0.001 0.000 0.291 110 V C 0.115 176.217 176.094 0.014 0.000 1.039 110 V CA 0.229 62.465 62.300 -0.106 0.000 1.055 110 V CB 0.603 32.165 31.823 -0.436 0.000 0.969 110 V HN 0.694 nan 8.190 nan 0.000 0.482 111 I N 4.385 124.949 120.570 -0.009 0.000 2.382 111 I HA 0.454 4.625 4.170 0.001 0.000 0.285 111 I C 0.734 176.711 176.117 -0.233 0.000 1.007 111 I CA -0.176 61.081 61.300 -0.071 0.000 1.142 111 I CB 1.560 39.493 38.000 -0.112 0.000 1.289 111 I HN 0.722 nan 8.210 nan 0.000 0.453 112 G N 5.157 113.714 108.800 -0.406 0.000 2.377 112 G HA2 0.389 4.350 3.960 0.001 0.000 0.299 112 G HA3 0.389 4.350 3.960 0.001 0.000 0.299 112 G C -1.999 172.423 174.900 -0.797 0.000 1.150 112 G CA -0.175 44.235 45.100 -1.150 0.000 0.847 112 G HN 0.533 nan 8.290 nan 0.000 0.501 113 W N 1.530 122.307 121.300 -0.871 0.000 2.839 113 W HA 0.552 5.213 4.660 0.001 0.000 0.334 113 W C -0.221 176.107 176.519 -0.318 0.000 1.064 113 W CA -1.256 55.756 57.345 -0.555 0.000 1.236 113 W CB 1.920 31.202 29.460 -0.297 0.000 1.405 113 W HN 0.435 nan 8.180 nan 0.000 0.478 114 S N 3.170 118.702 115.700 -0.280 0.000 2.488 114 S HA 0.476 4.946 4.470 0.001 0.000 0.278 114 S C -0.544 173.781 174.600 -0.458 0.000 1.259 114 S CA -0.332 57.772 58.200 -0.161 0.000 1.061 114 S CB 0.493 63.684 63.200 -0.016 0.000 0.910 114 S HN 0.228 nan 8.310 nan 0.000 0.491 115 V N 2.592 122.322 119.914 -0.307 0.000 2.577 115 V HA 0.641 4.762 4.120 0.001 0.000 0.303 115 V C 0.826 176.766 176.094 -0.255 0.000 1.042 115 V CA -0.607 61.488 62.300 -0.341 0.000 0.872 115 V CB 1.899 33.569 31.823 -0.254 0.000 0.998 115 V HN 0.960 nan 8.190 nan 0.000 0.423 116 G N 2.879 111.515 108.800 -0.273 0.000 3.104 116 G HA2 0.370 4.330 3.960 0.001 0.000 0.237 116 G HA3 0.370 4.330 3.960 0.001 0.000 0.237 116 G C -0.267 174.159 174.900 -0.791 0.000 1.035 116 G CA 0.209 45.005 45.100 -0.508 0.000 0.844 116 G HN 0.420 nan 8.290 nan 0.000 0.531 117 F N -0.958 118.914 119.950 -0.131 0.000 2.588 117 F HA 0.438 4.966 4.527 0.001 0.000 0.310 117 F C -1.914 173.836 175.800 -0.082 0.000 1.082 117 F CA -2.225 55.718 58.000 -0.096 0.000 0.929 117 F CB 2.261 41.210 39.000 -0.085 0.000 1.254 117 F HN -0.235 nan 8.300 nan 0.000 0.455 118 P HA -0.150 nan 4.420 nan 0.000 0.215 118 P C 1.051 178.392 177.300 0.069 0.000 1.153 118 P CA 1.577 64.712 63.100 0.059 0.000 0.853 118 P CB 0.291 32.021 31.700 0.049 0.000 0.788 119 E N 0.013 120.264 120.200 0.084 0.000 2.169 119 E HA -0.232 4.119 4.350 0.001 0.000 0.202 119 E C 1.772 178.414 176.600 0.070 0.000 1.016 119 E CA 1.496 57.928 56.400 0.053 0.000 0.817 119 E CB -0.761 28.943 29.700 0.008 0.000 0.736 119 E HN 0.486 nan 8.360 nan 0.000 0.462 120 E N -0.480 119.766 120.200 0.076 0.000 2.358 120 E HA -0.043 4.308 4.350 0.001 0.000 0.195 120 E C 1.772 178.464 176.600 0.152 0.000 1.010 120 E CA 0.418 56.864 56.400 0.076 0.000 0.856 120 E CB 0.285 29.923 29.700 -0.103 0.000 0.795 120 E HN 0.082 nan 8.360 nan 0.000 0.504 121 V N 1.720 121.689 119.914 0.093 0.000 2.488 121 V HA -0.193 3.928 4.120 0.001 0.000 0.246 121 V C 1.566 177.716 176.094 0.094 0.000 1.046 121 V CA 1.566 63.917 62.300 0.084 0.000 1.053 121 V CB -0.303 31.530 31.823 0.016 0.000 0.679 121 V HN 0.192 nan 8.190 nan 0.000 0.458 122 D N 0.377 120.827 120.400 0.083 0.000 2.106 122 D HA -0.204 4.437 4.640 0.001 0.000 0.191 122 D C 2.161 178.526 176.300 0.108 0.000 0.997 122 D CA 1.568 55.615 54.000 0.079 0.000 0.834 122 D CB -0.188 40.648 40.800 0.061 0.000 0.956 122 D HN 0.534 nan 8.370 nan 0.000 0.448 123 E N 0.403 120.688 120.200 0.143 0.000 2.058 123 E HA -0.151 4.200 4.350 0.001 0.000 0.194 123 E C 2.315 179.001 176.600 0.143 0.000 0.997 123 E CA 0.337 56.828 56.400 0.152 0.000 0.801 123 E CB -0.243 29.595 29.700 0.230 0.000 0.746 123 E HN 0.225 nan 8.360 nan 0.000 0.450 124 L N 0.644 122.006 121.223 0.231 0.000 2.129 124 L HA -0.229 4.112 4.340 0.001 0.000 0.212 124 L C 2.034 179.039 176.870 0.225 0.000 1.087 124 L CA 1.342 56.296 54.840 0.190 0.000 0.757 124 L CB -0.029 42.207 42.059 0.294 0.000 0.896 124 L HN 0.022 nan 8.230 nan 0.000 0.434 125 S N -0.225 115.598 115.700 0.204 0.000 2.387 125 S HA -0.027 4.443 4.470 0.001 0.000 0.221 125 S C 2.076 176.818 174.600 0.237 0.000 1.041 125 S CA 1.123 59.492 58.200 0.281 0.000 0.959 125 S CB -0.155 63.133 63.200 0.147 0.000 0.843 125 S HN 0.582 nan 8.310 nan 0.000 0.488 126 K N 1.203 121.680 120.400 0.129 0.000 2.643 126 K HA 0.196 4.517 4.320 0.001 0.000 0.193 126 K C 1.295 177.912 176.600 0.029 0.000 1.027 126 K CA 0.786 57.117 56.287 0.072 0.000 1.033 126 K CB -1.105 31.424 32.500 0.050 0.000 0.827 126 K HN 0.499 nan 8.250 nan 0.000 0.500 127 M N -1.120 118.500 119.600 0.033 0.000 2.421 127 M HA 0.231 4.712 4.480 0.001 0.000 0.258 127 M C 1.221 177.436 176.300 -0.142 0.000 1.122 127 M CA 0.465 55.734 55.300 -0.053 0.000 1.078 127 M CB 0.454 33.005 32.600 -0.082 0.000 1.380 127 M HN 0.476 nan 8.290 nan 0.000 0.499 128 G N 1.990 110.694 108.800 -0.159 0.000 2.804 128 G HA2 -0.184 3.776 3.960 0.001 0.000 0.230 128 G HA3 -0.184 3.776 3.960 0.001 0.000 0.230 128 G C -2.987 171.248 174.900 -1.108 0.000 1.386 128 G CA -1.161 43.577 45.100 -0.603 0.000 0.875 128 G HN 0.111 nan 8.290 nan 0.000 0.557 129 P HA 0.305 nan 4.420 nan 0.000 0.275 129 P C 0.455 177.365 177.300 -0.651 0.000 1.270 129 P CA 0.443 62.668 63.100 -1.459 0.000 0.791 129 P CB 0.131 31.266 31.700 -0.941 0.000 1.089 130 D N -2.456 117.694 120.400 -0.417 0.000 2.814 130 D HA -0.253 4.388 4.640 0.001 0.000 0.225 130 D C 0.953 177.132 176.300 -0.201 0.000 1.170 130 D CA 1.613 55.485 54.000 -0.214 0.000 0.638 130 D CB -0.892 39.819 40.800 -0.147 0.000 1.050 130 D HN 0.217 nan 8.370 nan 0.000 0.418 131 M N -1.773 117.686 119.600 -0.236 0.000 2.368 131 M HA 0.380 4.860 4.480 0.001 0.000 0.146 131 M C 1.085 177.317 176.300 -0.114 0.000 1.502 131 M CA 0.515 55.709 55.300 -0.177 0.000 1.424 131 M CB -0.352 32.131 32.600 -0.194 0.000 0.768 131 M HN -0.131 nan 8.290 nan 0.000 0.541 132 V N 2.313 122.201 119.914 -0.044 0.000 2.470 132 V HA 0.171 4.292 4.120 0.001 0.000 0.276 132 V C 0.034 176.230 176.094 0.170 0.000 1.040 132 V CA -0.138 62.162 62.300 -0.000 0.000 1.008 132 V CB 0.378 32.198 31.823 -0.006 0.000 0.990 132 V HN 0.804 nan 8.190 nan 0.000 0.477 133 D N 2.972 123.422 120.400 0.083 0.000 2.262 133 D HA 0.107 4.748 4.640 0.001 0.000 0.212 133 D C 0.151 176.562 176.300 0.185 0.000 0.964 133 D CA 1.168 55.270 54.000 0.170 0.000 0.875 133 D CB 0.322 41.193 40.800 0.118 0.000 0.996 133 D HN 0.702 nan 8.370 nan 0.000 0.497 134 Y N -0.312 119.995 120.300 0.012 0.000 2.655 134 Y HA 0.578 5.129 4.550 0.001 0.000 0.336 134 Y C -1.594 174.311 175.900 0.010 0.000 1.154 134 Y CA -1.815 56.236 58.100 -0.081 0.000 1.055 134 Y CB 0.947 39.249 38.460 -0.264 0.000 1.295 134 Y HN -0.160 nan 8.280 nan 0.000 0.465 135 I N -0.012 120.622 120.570 0.106 0.000 2.686 135 I HA 0.880 5.051 4.170 0.001 0.000 0.295 135 I C -0.446 175.793 176.117 0.203 0.000 1.114 135 I CA -1.286 60.042 61.300 0.046 0.000 1.038 135 I CB 2.557 40.566 38.000 0.016 0.000 1.238 135 I HN 1.037 nan 8.210 nan 0.000 0.420 136 G N 5.075 114.005 108.800 0.217 0.000 2.350 136 G HA2 0.500 4.461 3.960 0.001 0.000 0.306 136 G HA3 0.500 4.461 3.960 0.001 0.000 0.306 136 G C -0.051 174.857 174.900 0.013 0.000 1.094 136 G CA -0.588 44.612 45.100 0.166 0.000 0.953 136 G HN 0.778 nan 8.290 nan 0.000 0.420 137 V N 2.848 122.743 119.914 -0.031 0.000 2.415 137 V HA 0.640 4.761 4.120 0.001 0.000 0.267 137 V C 1.255 177.265 176.094 -0.140 0.000 1.042 137 V CA -0.188 62.051 62.300 -0.101 0.000 1.000 137 V CB -0.297 31.462 31.823 -0.106 0.000 1.015 137 V HN 1.509 nan 8.190 nan 0.000 0.478 138 G N 5.129 113.817 108.800 -0.187 0.000 2.561 138 G HA2 -0.229 3.732 3.960 0.001 0.000 0.360 138 G HA3 -0.229 3.732 3.960 0.001 0.000 0.360 138 G C 0.125 174.922 174.900 -0.172 0.000 1.328 138 G CA 0.282 45.244 45.100 -0.229 0.000 0.918 138 G HN 1.273 nan 8.290 nan 0.000 0.542 139 T N 1.480 115.927 114.554 -0.179 0.000 2.801 139 T HA 0.479 4.830 4.350 0.001 0.000 0.306 139 T C 1.811 176.403 174.700 -0.181 0.000 1.020 139 T CA -0.355 61.666 62.100 -0.131 0.000 0.948 139 T CB 1.123 69.942 68.868 -0.082 0.000 0.962 139 T HN 0.486 nan 8.240 nan 0.000 0.465 140 L N 2.258 123.366 121.223 -0.191 0.000 2.017 140 L HA 0.071 4.412 4.340 0.001 0.000 0.208 140 L C 0.120 176.568 176.870 -0.702 0.000 1.073 140 L CA 1.669 56.258 54.840 -0.419 0.000 0.745 140 L CB -0.109 41.778 42.059 -0.287 0.000 0.894 140 L HN 0.502 nan 8.230 nan 0.000 0.432 141 F N -2.095 117.832 119.950 -0.038 0.000 2.620 141 F HA 0.462 4.990 4.527 0.001 0.000 0.320 141 F C -2.235 173.567 175.800 0.004 0.000 1.069 141 F CA -2.623 55.374 58.000 -0.005 0.000 0.953 141 F CB 0.385 39.396 39.000 0.019 0.000 1.322 141 F HN -0.333 nan 8.300 nan 0.000 0.479 142 P HA 0.287 nan 4.420 nan 0.000 0.272 142 P C -0.699 176.669 177.300 0.113 0.000 1.223 142 P CA -0.122 63.051 63.100 0.122 0.000 0.784 142 P CB 1.133 32.901 31.700 0.114 0.000 0.923 143 T N 1.410 116.008 114.554 0.073 0.000 2.885 143 T HA 0.278 4.628 4.350 0.001 0.000 0.322 143 T C -0.039 174.684 174.700 0.040 0.000 1.387 143 T CA -0.500 61.639 62.100 0.065 0.000 1.041 143 T CB 0.430 69.339 68.868 0.068 0.000 1.287 143 T HN -0.054 nan 8.240 nan 0.000 0.491 144 L N 3.240 124.483 121.223 0.034 0.000 2.592 144 L HA 0.244 4.584 4.340 0.001 0.000 0.227 144 L C 2.306 179.185 176.870 0.015 0.000 1.127 144 L CA 0.926 55.778 54.840 0.020 0.000 0.884 144 L CB -1.190 40.877 42.059 0.014 0.000 1.065 144 L HN 0.741 nan 8.230 nan 0.000 0.457 145 T N -1.069 113.495 114.554 0.017 0.000 2.896 145 T HA -0.060 4.290 4.350 0.001 0.000 0.263 145 T C 1.057 175.756 174.700 -0.001 0.000 1.050 145 T CA 0.676 62.779 62.100 0.006 0.000 1.140 145 T CB 0.219 69.088 68.868 0.001 0.000 0.877 145 T HN -0.038 nan 8.240 nan 0.000 0.457 146 K N 1.877 122.276 120.400 -0.001 0.000 2.258 146 K HA 0.493 4.814 4.320 0.001 0.000 0.284 146 K C 0.801 177.403 176.600 0.004 0.000 1.051 146 K CA -0.056 56.230 56.287 -0.002 0.000 0.923 146 K CB 0.867 33.362 32.500 -0.007 0.000 1.046 146 K HN 0.069 nan 8.250 nan 0.000 0.474 147 K N 1.838 122.241 120.400 0.005 0.000 2.400 147 K HA 0.000 4.321 4.320 0.001 0.000 0.194 147 K C 1.454 178.060 176.600 0.010 0.000 1.033 147 K CA 1.599 57.891 56.287 0.008 0.000 1.021 147 K CB -1.034 31.471 32.500 0.008 0.000 0.808 147 K HN 0.795 nan 8.250 nan 0.000 0.505 148 N N -0.413 118.293 118.700 0.010 0.000 3.046 148 N HA 0.563 5.304 4.740 0.001 0.000 0.240 148 N C 0.275 175.792 175.510 0.012 0.000 1.017 148 N CA 1.811 54.868 53.050 0.012 0.000 1.126 148 N CB -0.857 37.639 38.487 0.014 0.000 1.642 148 N HN 1.213 nan 8.380 nan 0.000 0.548 156 T N -1.311 113.042 114.554 -0.335 0.000 2.833 156 T HA 0.101 4.451 4.350 0.001 0.000 0.269 156 T C 2.543 177.133 174.700 -0.183 0.000 1.054 156 T CA 2.358 64.328 62.100 -0.217 0.000 1.135 156 T CB -0.494 68.290 68.868 -0.139 0.000 0.869 156 T HN 1.451 nan 8.240 nan 0.000 0.466 157 A N 1.889 124.625 122.820 -0.139 0.000 1.940 157 A HA 0.164 4.484 4.320 0.001 0.000 0.219 157 A C 2.702 180.211 177.584 -0.126 0.000 1.176 157 A CA 1.790 53.758 52.037 -0.116 0.000 0.631 157 A CB -1.587 17.419 19.000 0.010 0.000 0.814 157 A HN 0.629 nan 8.150 nan 0.000 0.446 158 G N -0.935 107.773 108.800 -0.152 0.000 2.403 158 G HA2 0.103 4.064 3.960 0.001 0.000 0.216 158 G HA3 0.103 4.064 3.960 0.001 0.000 0.216 158 G C 1.691 176.481 174.900 -0.183 0.000 1.154 158 G CA 1.183 46.180 45.100 -0.171 0.000 0.784 158 G HN 0.776 nan 8.290 nan 0.000 0.538 159 A N 0.739 123.445 122.820 -0.191 0.000 1.930 159 A HA 0.090 4.411 4.320 0.001 0.000 0.217 159 A C 2.355 179.860 177.584 -0.132 0.000 1.175 159 A CA 1.062 52.999 52.037 -0.167 0.000 0.627 159 A CB -0.317 18.586 19.000 -0.162 0.000 0.815 159 A HN 0.364 nan 8.150 nan 0.000 0.443 160 I N -0.711 119.778 120.570 -0.134 0.000 2.163 160 I HA -0.297 3.873 4.170 0.001 0.000 0.243 160 I C 2.692 178.758 176.117 -0.084 0.000 1.085 160 I CA 1.456 62.688 61.300 -0.112 0.000 1.347 160 I CB -0.340 37.576 38.000 -0.140 0.000 1.044 160 I HN 0.282 nan 8.210 nan 0.000 0.408 161 R N -0.003 120.447 120.500 -0.083 0.000 2.139 161 R HA -0.167 4.173 4.340 0.001 0.000 0.243 161 R C 2.214 178.482 176.300 -0.053 0.000 1.145 161 R CA 1.319 57.386 56.100 -0.055 0.000 0.976 161 R CB -0.458 29.817 30.300 -0.042 0.000 0.866 161 R HN 0.281 nan 8.270 nan 0.000 0.449 162 V N 1.011 120.879 119.914 -0.076 0.000 2.346 162 V HA -0.152 3.968 4.120 0.001 0.000 0.244 162 V C 2.214 178.268 176.094 -0.067 0.000 1.037 162 V CA 1.342 63.598 62.300 -0.073 0.000 1.029 162 V CB -0.253 31.508 31.823 -0.104 0.000 0.663 162 V HN 0.261 nan 8.190 nan 0.000 0.454 163 L N -0.178 121.003 121.223 -0.069 0.000 2.131 163 L HA -0.195 4.145 4.340 0.001 0.000 0.210 163 L C 2.260 179.101 176.870 -0.048 0.000 1.092 163 L CA 1.447 56.251 54.840 -0.060 0.000 0.759 163 L CB -0.703 41.325 42.059 -0.053 0.000 0.903 163 L HN 0.340 nan 8.230 nan 0.000 0.435 164 D N 0.165 120.541 120.400 -0.042 0.000 2.144 164 D HA -0.121 4.520 4.640 0.001 0.000 0.200 164 D C 2.223 178.504 176.300 -0.032 0.000 0.978 164 D CA 1.396 55.377 54.000 -0.031 0.000 0.833 164 D CB 0.069 40.854 40.800 -0.026 0.000 0.961 164 D HN 0.293 nan 8.370 nan 0.000 0.470 165 A N 0.353 123.153 122.820 -0.034 0.000 1.968 165 A HA -0.039 4.281 4.320 0.001 0.000 0.217 165 A C 2.222 179.777 177.584 -0.049 0.000 1.169 165 A CA 0.511 52.531 52.037 -0.028 0.000 0.638 165 A CB -0.597 18.393 19.000 -0.017 0.000 0.812 165 A HN 0.217 nan 8.150 nan 0.000 0.446 166 L N -1.077 120.103 121.223 -0.072 0.000 2.450 166 L HA -0.140 4.201 4.340 0.001 0.000 0.224 166 L C 2.364 179.171 176.870 -0.105 0.000 1.149 166 L CA 1.388 56.157 54.840 -0.119 0.000 0.816 166 L CB -0.179 41.800 42.059 -0.132 0.000 0.932 166 L HN 0.457 nan 8.230 nan 0.000 0.449 167 E N -0.168 119.995 120.200 -0.062 0.000 2.175 167 E HA -0.082 4.269 4.350 0.001 0.000 0.195 167 E C 2.140 178.725 176.600 -0.025 0.000 0.934 167 E CA 0.164 56.540 56.400 -0.041 0.000 0.870 167 E CB 0.112 29.794 29.700 -0.029 0.000 0.838 167 E HN 0.119 nan 8.360 nan 0.000 0.474 168 R N 0.452 120.939 120.500 -0.022 0.000 2.139 168 R HA -0.123 4.218 4.340 0.001 0.000 0.243 168 R C 0.754 177.053 176.300 -0.002 0.000 1.145 168 R CA 1.895 57.989 56.100 -0.010 0.000 0.976 168 R CB -0.199 30.096 30.300 -0.008 0.000 0.866 168 R HN 0.063 nan 8.270 nan 0.000 0.449 169 N N 0.531 119.223 118.700 -0.014 0.000 2.336 169 N HA -0.041 4.700 4.740 0.001 0.000 0.189 169 N C -0.529 174.983 175.510 0.005 0.000 1.113 169 N CA 0.195 53.245 53.050 -0.000 0.000 0.858 169 N CB 0.259 38.738 38.487 -0.013 0.000 0.970 169 N HN 0.221 nan 8.380 nan 0.000 0.471 170 N N 0.786 119.480 118.700 -0.009 0.000 2.686 170 N HA -0.244 4.496 4.740 0.001 0.000 0.261 170 N C -0.764 174.723 175.510 -0.038 0.000 1.001 170 N CA 0.587 53.650 53.050 0.022 0.000 0.764 170 N CB -1.062 37.486 38.487 0.101 0.000 0.898 170 N HN 0.289 nan 8.380 nan 0.000 0.544 171 A N 2.404 125.033 122.820 -0.318 0.000 3.202 171 A HA 0.102 4.423 4.320 0.001 0.000 0.258 171 A C 1.567 178.653 177.584 -0.831 0.000 1.572 171 A CA 0.099 51.538 52.037 -0.997 0.000 1.241 171 A CB -0.624 17.715 19.000 -1.101 0.000 1.127 171 A HN 0.682 nan 8.150 nan 0.000 0.648 172 H N -1.266 117.653 119.070 -0.251 0.000 2.518 172 H HA -0.220 4.336 4.556 0.001 0.000 0.294 172 H C 1.249 176.569 175.328 -0.013 0.000 1.083 172 H CA 1.677 57.686 56.048 -0.066 0.000 1.264 172 H CB -0.346 29.461 29.762 0.074 0.000 1.370 172 H HN 0.934 nan 8.280 nan 0.000 0.560 173 W N 0.501 121.564 121.300 -0.395 0.000 3.290 173 W HA 0.371 5.032 4.660 0.001 0.000 0.287 173 W C -0.143 176.325 176.519 -0.085 0.000 1.288 173 W CA -1.121 56.084 57.345 -0.233 0.000 1.725 173 W CB -0.602 28.652 29.460 -0.344 0.000 1.103 173 W HN 0.143 nan 8.180 nan 0.000 0.670 174 C N 4.947 123.965 119.300 -0.469 0.000 2.271 174 C HA 0.532 4.993 4.460 0.001 0.000 0.323 174 C C 0.628 175.521 174.990 -0.162 0.000 1.245 174 C CA -1.149 57.682 59.018 -0.311 0.000 1.548 174 C CB -0.298 27.106 27.740 -0.560 0.000 2.214 174 C HN 0.159 nan 8.230 nan 0.000 0.477 175 R N 2.818 123.274 120.500 -0.075 0.000 2.652 175 R HA 0.579 4.920 4.340 0.001 0.000 0.271 175 R C 0.333 176.543 176.300 -0.150 0.000 1.129 175 R CA -0.004 56.010 56.100 -0.144 0.000 1.200 175 R CB 0.515 30.623 30.300 -0.319 0.000 1.146 175 R HN 0.865 nan 8.270 nan 0.000 0.581 176 T N -2.814 111.640 114.554 -0.165 0.000 2.952 176 T HA 0.549 4.899 4.350 0.001 0.000 0.305 176 T C -0.258 174.397 174.700 -0.076 0.000 1.064 176 T CA -0.932 61.119 62.100 -0.082 0.000 1.008 176 T CB 1.380 70.214 68.868 -0.056 0.000 1.078 176 T HN 0.387 nan 8.240 nan 0.000 0.459 177 V N -0.198 119.720 119.914 0.008 0.000 2.769 177 V HA 1.021 5.142 4.120 0.001 0.000 0.312 177 V C 0.373 176.482 176.094 0.025 0.000 1.061 177 V CA -0.739 61.588 62.300 0.047 0.000 0.931 177 V CB 1.481 33.393 31.823 0.148 0.000 1.010 177 V HN 1.313 nan 8.190 nan 0.000 0.433 178 G N 2.306 111.107 108.800 0.001 0.000 2.400 178 G HA2 0.721 4.682 3.960 0.001 0.000 0.301 178 G HA3 0.721 4.682 3.960 0.001 0.000 0.301 178 G C -1.075 173.802 174.900 -0.038 0.000 1.154 178 G CA -0.637 44.446 45.100 -0.028 0.000 0.852 178 G HN 1.130 nan 8.290 nan 0.000 0.511 179 I N -0.062 120.475 120.570 -0.054 0.000 2.827 179 I HA 0.635 4.806 4.170 0.001 0.000 0.298 179 I C -0.181 175.906 176.117 -0.050 0.000 1.235 179 I CA -0.222 61.035 61.300 -0.071 0.000 1.021 179 I CB 2.195 40.129 38.000 -0.110 0.000 1.259 179 I HN 1.242 nan 8.210 nan 0.000 0.427 180 G N 4.321 113.098 108.800 -0.037 0.000 2.798 180 G HA2 0.401 4.362 3.960 0.001 0.000 0.658 180 G HA3 0.401 4.362 3.960 0.001 0.000 0.658 180 G C 0.381 175.342 174.900 0.101 0.000 1.148 180 G CA -0.335 44.766 45.100 0.003 0.000 1.200 180 G HN 1.884 nan 8.290 nan 0.000 0.519 181 G N -0.760 108.080 108.800 0.067 0.000 2.132 181 G HA2 0.017 3.978 3.960 0.001 0.000 0.228 181 G HA3 0.017 3.978 3.960 0.001 0.000 0.228 181 G C 0.293 175.238 174.900 0.074 0.000 1.000 181 G CA 0.328 45.520 45.100 0.154 0.000 0.693 181 G HN 1.551 nan 8.290 nan 0.000 0.515 182 L N 2.125 123.275 121.223 -0.123 0.000 2.313 182 L HA 0.609 4.950 4.340 0.001 0.000 0.282 182 L C 0.647 177.230 176.870 -0.479 0.000 1.092 182 L CA -0.347 54.381 54.840 -0.188 0.000 0.831 182 L CB 0.389 42.374 42.059 -0.124 0.000 1.159 182 L HN 0.322 nan 8.230 nan 0.000 0.442 183 H N 3.621 122.615 119.070 -0.127 0.000 2.960 183 H HA 0.307 4.864 4.556 0.002 0.000 0.338 183 H C -1.914 173.343 175.328 -0.119 0.000 1.261 183 H CA -1.495 54.487 56.048 -0.109 0.000 1.136 183 H CB 1.372 31.069 29.762 -0.110 0.000 1.875 183 H HN 0.182 nan 8.280 nan 0.000 0.550 184 P HA -0.128 nan 4.420 nan 0.000 0.221 184 P C 0.587 177.858 177.300 -0.047 0.000 1.145 184 P CA 1.598 64.688 63.100 -0.017 0.000 0.795 184 P CB -0.036 31.664 31.700 -0.001 0.000 0.775 185 D N -1.678 118.694 120.400 -0.047 0.000 2.349 185 D HA -0.072 4.568 4.640 0.001 0.000 0.224 185 D C 0.924 177.145 176.300 -0.133 0.000 1.029 185 D CA 0.291 54.244 54.000 -0.078 0.000 0.879 185 D CB -0.724 40.023 40.800 -0.087 0.000 0.906 185 D HN 0.168 nan 8.370 nan 0.000 0.528 186 N N -0.371 118.223 118.700 -0.176 0.000 1.958 186 N HA -0.001 4.740 4.740 0.001 0.000 0.223 186 N C 0.664 176.033 175.510 -0.234 0.000 1.395 186 N CA -0.295 52.604 53.050 -0.252 0.000 0.737 186 N CB -0.897 37.316 38.487 -0.457 0.000 1.155 186 N HN 0.232 nan 8.380 nan 0.000 0.529 187 I N 1.751 122.197 120.570 -0.207 0.000 2.233 187 I HA -0.180 3.990 4.170 0.001 0.000 0.243 187 I C 2.188 178.110 176.117 -0.326 0.000 1.093 187 I CA 1.433 62.612 61.300 -0.201 0.000 1.380 187 I CB 0.067 37.981 38.000 -0.144 0.000 1.067 187 I HN 0.239 nan 8.210 nan 0.000 0.413 188 E N 1.034 120.964 120.200 -0.450 0.000 2.077 188 E HA -0.302 4.049 4.350 0.001 0.000 0.193 188 E C 2.188 178.271 176.600 -0.861 0.000 0.989 188 E CA 1.050 56.974 56.400 -0.793 0.000 0.800 188 E CB -0.534 28.664 29.700 -0.837 0.000 0.746 188 E HN 0.452 nan 8.360 nan 0.000 0.452 189 R N 1.492 121.579 120.500 -0.688 0.000 2.120 189 R HA -0.115 4.226 4.340 0.001 0.000 0.234 189 R C 2.219 178.430 176.300 -0.148 0.000 1.123 189 R CA 1.128 57.042 56.100 -0.310 0.000 0.975 189 R CB -0.145 30.084 30.300 -0.118 0.000 0.866 189 R HN 0.078 nan 8.270 nan 0.000 0.446 190 V N 0.959 120.778 119.914 -0.157 0.000 2.270 190 V HA -0.219 3.902 4.120 0.001 0.000 0.245 190 V C 2.214 178.229 176.094 -0.132 0.000 1.043 190 V CA 1.286 63.543 62.300 -0.072 0.000 1.014 190 V CB -0.414 31.411 31.823 0.003 0.000 0.645 190 V HN 0.274 nan 8.190 nan 0.000 0.447 191 L N -0.877 120.203 121.223 -0.239 0.000 2.079 191 L HA -0.205 4.135 4.340 0.001 0.000 0.210 191 L C 2.200 178.991 176.870 -0.130 0.000 1.081 191 L CA 1.970 56.669 54.840 -0.235 0.000 0.752 191 L CB -1.239 40.548 42.059 -0.452 0.000 0.896 191 L HN 0.502 nan 8.230 nan 0.000 0.433 192 Y N 0.572 120.662 120.300 -0.350 0.000 2.220 192 Y HA -0.249 4.302 4.550 0.001 0.000 0.291 192 Y C 2.332 178.181 175.900 -0.086 0.000 1.129 192 Y CA 1.379 59.412 58.100 -0.111 0.000 1.161 192 Y CB 0.285 38.735 38.460 -0.018 0.000 0.997 192 Y HN 0.431 nan 8.280 nan 0.000 0.522 193 Q N -1.615 118.037 119.800 -0.247 0.000 2.282 193 Q HA 0.170 4.511 4.340 0.001 0.000 0.206 193 Q C 0.180 176.019 176.000 -0.269 0.000 0.878 193 Q CA -0.031 55.535 55.803 -0.395 0.000 0.944 193 Q CB -0.010 28.490 28.738 -0.397 0.000 1.100 193 Q HN 0.237 nan 8.270 nan 0.000 0.509 194 C N 3.142 122.341 119.300 -0.168 0.000 2.400 194 C HA 0.466 4.927 4.460 0.001 0.000 0.457 194 C C 0.238 175.174 174.990 -0.090 0.000 1.020 194 C CA -0.814 58.128 59.018 -0.127 0.000 1.258 194 C CB -1.497 26.187 27.740 -0.093 0.000 1.532 194 C HN 0.375 nan 8.230 nan 0.000 0.537 195 V N 0.806 120.659 119.914 -0.101 0.000 2.925 195 V HA 0.686 4.807 4.120 0.001 0.000 0.311 195 V C 0.077 176.186 176.094 0.024 0.000 1.104 195 V CA -0.576 61.711 62.300 -0.022 0.000 0.954 195 V CB 1.502 33.325 31.823 0.000 0.000 1.022 195 V HN 0.421 nan 8.190 nan 0.000 0.427 196 S N 2.023 117.753 115.700 0.051 0.000 2.559 196 S HA 0.085 4.556 4.470 0.001 0.000 0.282 196 S C 1.407 176.086 174.600 0.131 0.000 1.336 196 S CA 0.574 58.804 58.200 0.051 0.000 1.037 196 S CB 0.877 64.093 63.200 0.027 0.000 0.853 196 S HN 1.015 nan 8.310 nan 0.000 0.523 197 S N 2.371 118.116 115.700 0.075 0.000 2.423 197 S HA -0.107 4.364 4.470 0.001 0.000 0.231 197 S C 1.565 176.108 174.600 -0.095 0.000 1.014 197 S CA 1.308 59.548 58.200 0.067 0.000 0.965 197 S CB -0.525 62.678 63.200 0.005 0.000 0.785 197 S HN 0.917 nan 8.310 nan 0.000 0.495 198 N N 0.631 119.293 118.700 -0.063 0.000 2.398 198 N HA 0.161 4.901 4.740 0.001 0.000 0.188 198 N C 1.037 176.497 175.510 -0.083 0.000 1.122 198 N CA 0.895 53.881 53.050 -0.106 0.000 0.866 198 N CB -0.481 37.968 38.487 -0.063 0.000 0.970 198 N HN 0.295 nan 8.380 nan 0.000 0.462 199 G N 0.279 109.082 108.800 0.004 0.000 2.184 199 G HA2 -0.386 3.574 3.960 0.001 0.000 0.264 199 G HA3 -0.386 3.574 3.960 0.001 0.000 0.264 199 G C 0.939 175.884 174.900 0.074 0.000 0.975 199 G CA 0.675 45.836 45.100 0.102 0.000 0.642 199 G HN 0.489 nan 8.290 nan 0.000 0.536 200 K N -0.462 119.959 120.400 0.036 0.000 2.361 200 K HA 0.122 4.443 4.320 0.001 0.000 0.196 200 K C 1.257 177.878 176.600 0.035 0.000 1.039 200 K CA 0.299 56.604 56.287 0.030 0.000 1.001 200 K CB 0.301 32.807 32.500 0.012 0.000 0.795 200 K HN 0.374 nan 8.250 nan 0.000 0.495 201 R N 0.856 121.377 120.500 0.036 0.000 2.575 201 R HA 0.181 4.521 4.340 0.001 0.000 0.293 201 R C -1.136 175.182 176.300 0.029 0.000 0.983 201 R CA -0.244 55.871 56.100 0.025 0.000 0.887 201 R CB 1.740 32.040 30.300 0.001 0.000 1.184 201 R HN 0.025 nan 8.270 nan 0.000 0.445 202 S N 3.559 119.277 115.700 0.030 0.000 2.806 202 S HA 0.508 4.979 4.470 0.001 0.000 0.306 202 S C -0.267 174.341 174.600 0.014 0.000 1.167 202 S CA -0.982 57.232 58.200 0.025 0.000 0.847 202 S CB 0.856 64.087 63.200 0.053 0.000 1.216 202 S HN 0.470 nan 8.310 nan 0.000 0.532 203 L N 1.675 122.904 121.223 0.010 0.000 2.490 203 L HA 0.182 4.523 4.340 0.001 0.000 0.274 203 L C 0.711 177.600 176.870 0.031 0.000 1.201 203 L CA -0.058 54.785 54.840 0.006 0.000 0.869 203 L CB 0.154 42.212 42.059 -0.001 0.000 1.123 203 L HN 0.765 nan 8.230 nan 0.000 0.484 204 D N 2.103 122.517 120.400 0.022 0.000 2.355 204 D HA 0.137 4.778 4.640 0.001 0.000 0.218 204 D C 0.737 177.102 176.300 0.108 0.000 1.004 204 D CA 0.497 54.534 54.000 0.062 0.000 0.880 204 D CB 0.946 41.770 40.800 0.039 0.000 0.911 204 D HN 0.772 nan 8.370 nan 0.000 0.528 205 G N 0.108 108.960 108.800 0.087 0.000 2.342 205 G HA2 0.421 4.381 3.960 0.001 0.000 0.297 205 G HA3 0.421 4.381 3.960 0.001 0.000 0.297 205 G C -1.845 173.106 174.900 0.084 0.000 1.313 205 G CA -0.794 44.373 45.100 0.112 0.000 0.830 205 G HN 0.016 nan 8.290 nan 0.000 0.506 206 I N -0.317 120.303 120.570 0.084 0.000 2.545 206 I HA 0.453 4.623 4.170 0.001 0.000 0.292 206 I C -0.569 175.570 176.117 0.036 0.000 1.040 206 I CA -0.671 60.651 61.300 0.036 0.000 1.068 206 I CB 2.279 40.280 38.000 0.001 0.000 1.251 206 I HN 0.508 nan 8.210 nan 0.000 0.424 207 C N 6.364 125.645 119.300 -0.031 0.000 2.303 207 C HA 0.710 5.171 4.460 0.001 0.000 0.326 207 C C -0.028 174.883 174.990 -0.132 0.000 1.285 207 C CA -0.438 58.512 59.018 -0.113 0.000 1.675 207 C CB 0.896 28.495 27.740 -0.235 0.000 2.289 207 C HN 0.515 nan 8.230 nan 0.000 0.512 208 V N 3.988 123.824 119.914 -0.130 0.000 2.914 208 V HA 0.879 5.000 4.120 0.001 0.000 0.314 208 V C -0.420 175.597 176.094 -0.129 0.000 1.084 208 V CA -0.403 61.807 62.300 -0.150 0.000 0.963 208 V CB 1.518 33.252 31.823 -0.149 0.000 1.025 208 V HN 0.587 nan 8.190 nan 0.000 0.432 209 V N 1.791 121.631 119.914 -0.123 0.000 3.671 209 V HA 0.076 4.196 4.120 0.001 0.000 0.202 209 V C 2.495 178.556 176.094 -0.054 0.000 1.188 209 V CA 1.305 63.555 62.300 -0.083 0.000 1.325 209 V CB 0.096 31.874 31.823 -0.074 0.000 1.470 209 V HN 1.092 nan 8.190 nan 0.000 0.520 210 S N 0.674 116.354 115.700 -0.033 0.000 2.400 210 S HA -0.291 4.179 4.470 0.001 0.000 0.232 210 S C 1.552 176.178 174.600 0.043 0.000 1.025 210 S CA 2.269 60.484 58.200 0.024 0.000 0.993 210 S CB -0.607 62.643 63.200 0.085 0.000 0.808 210 S HN 0.622 nan 8.310 nan 0.000 0.478 211 D N 0.713 121.104 120.400 -0.016 0.000 2.219 211 D HA 0.053 4.694 4.640 0.001 0.000 0.205 211 D C 1.593 177.896 176.300 0.006 0.000 0.970 211 D CA 1.272 55.283 54.000 0.018 0.000 0.851 211 D CB -0.081 40.648 40.800 -0.119 0.000 0.943 211 D HN 0.598 nan 8.370 nan 0.000 0.488 212 I N -0.675 119.882 120.570 -0.021 0.000 3.136 212 I HA -0.057 4.114 4.170 0.001 0.000 0.262 212 I C 1.769 177.878 176.117 -0.014 0.000 1.132 212 I CA -0.211 61.077 61.300 -0.020 0.000 1.450 212 I CB 0.132 38.112 38.000 -0.033 0.000 1.315 212 I HN -0.048 nan 8.210 nan 0.000 0.460 213 I N 1.879 122.439 120.570 -0.017 0.000 2.118 213 I HA -0.275 3.895 4.170 0.001 0.000 0.241 213 I C 2.491 178.607 176.117 -0.002 0.000 1.070 213 I CA 1.942 63.234 61.300 -0.012 0.000 1.327 213 I CB -1.364 36.627 38.000 -0.015 0.000 1.034 213 I HN 0.177 nan 8.210 nan 0.000 0.405 214 A N -0.032 122.791 122.820 0.005 0.000 2.259 214 A HA 0.050 4.370 4.320 0.001 0.000 0.208 214 A C 1.289 178.879 177.584 0.010 0.000 1.201 214 A CA 0.236 52.279 52.037 0.010 0.000 0.824 214 A CB -0.471 18.539 19.000 0.017 0.000 0.838 214 A HN 0.364 nan 8.150 nan 0.000 0.485 215 S N -0.423 115.282 115.700 0.009 0.000 2.545 215 S HA 0.401 4.871 4.470 0.001 0.000 0.275 215 S C 1.068 175.670 174.600 0.004 0.000 1.299 215 S CA -0.632 57.573 58.200 0.008 0.000 1.048 215 S CB 0.336 63.541 63.200 0.007 0.000 0.938 215 S HN 0.382 nan 8.310 nan 0.000 0.496 216 L N 2.365 123.590 121.223 0.003 0.000 2.275 216 L HA 0.098 4.439 4.340 0.001 0.000 0.215 216 L C 0.697 177.569 176.870 0.003 0.000 1.119 216 L CA 0.844 55.685 54.840 0.003 0.000 0.790 216 L CB -0.146 41.913 42.059 0.001 0.000 0.919 216 L HN 0.616 nan 8.230 nan 0.000 0.443 217 D N -0.576 119.825 120.400 0.002 0.000 2.400 217 D HA 0.297 4.938 4.640 0.001 0.000 0.272 217 D C 0.700 177.000 176.300 -0.001 0.000 1.220 217 D CA -0.035 53.966 54.000 0.001 0.000 0.897 217 D CB 1.450 42.251 40.800 0.001 0.000 1.134 217 D HN 0.011 nan 8.370 nan 0.000 0.507 218 A N 2.495 125.313 122.820 -0.004 0.000 2.019 218 A HA 0.055 4.376 4.320 0.001 0.000 0.219 218 A C 2.116 179.692 177.584 -0.014 0.000 1.164 218 A CA 1.663 53.694 52.037 -0.010 0.000 0.644 218 A CB -0.218 18.772 19.000 -0.016 0.000 0.805 218 A HN 0.538 nan 8.150 nan 0.000 0.449 219 A N 0.084 122.898 122.820 -0.011 0.000 1.877 219 A HA -0.181 4.140 4.320 0.001 0.000 0.216 219 A C 2.143 179.722 177.584 -0.008 0.000 1.186 219 A CA 2.007 54.036 52.037 -0.012 0.000 0.620 219 A CB -0.462 18.535 19.000 -0.005 0.000 0.822 219 A HN 0.552 nan 8.150 nan 0.000 0.443 220 K N -0.328 120.070 120.400 -0.004 0.000 2.025 220 K HA -0.105 4.216 4.320 0.001 0.000 0.207 220 K C 2.248 178.846 176.600 -0.003 0.000 1.049 220 K CA 1.564 57.850 56.287 -0.002 0.000 0.933 220 K CB -0.239 32.261 32.500 -0.001 0.000 0.714 220 K HN 0.392 nan 8.250 nan 0.000 0.438 221 S N 0.271 115.969 115.700 -0.003 0.000 2.374 221 S HA -0.146 4.324 4.470 0.001 0.000 0.227 221 S C 1.861 176.456 174.600 -0.007 0.000 1.037 221 S CA 1.974 60.173 58.200 -0.002 0.000 1.024 221 S CB -0.438 62.763 63.200 0.001 0.000 0.861 221 S HN 0.480 nan 8.310 nan 0.000 0.456 222 T N 1.566 116.112 114.554 -0.013 0.000 2.777 222 T HA -0.046 4.305 4.350 0.001 0.000 0.266 222 T C 1.807 176.500 174.700 -0.011 0.000 1.040 222 T CA 0.999 63.088 62.100 -0.017 0.000 1.141 222 T CB -0.171 68.681 68.868 -0.026 0.000 0.868 222 T HN 0.334 nan 8.240 nan 0.000 0.444 223 K N 0.643 121.038 120.400 -0.008 0.000 2.103 223 K HA -0.063 4.257 4.320 0.001 0.000 0.207 223 K C 2.196 178.796 176.600 0.000 0.000 1.048 223 K CA 1.126 57.412 56.287 -0.003 0.000 0.930 223 K CB -0.290 32.210 32.500 -0.001 0.000 0.716 223 K HN 0.351 nan 8.250 nan 0.000 0.444 224 I N 0.932 121.502 120.570 -0.001 0.000 2.202 224 I HA -0.302 3.869 4.170 0.001 0.000 0.242 224 I C 2.218 178.335 176.117 0.000 0.000 1.091 224 I CA 1.012 62.313 61.300 0.001 0.000 1.368 224 I CB -0.217 37.783 38.000 0.001 0.000 1.058 224 I HN 0.181 nan 8.210 nan 0.000 0.410 225 L N -0.026 121.193 121.223 -0.006 0.000 2.079 225 L HA -0.213 4.127 4.340 0.001 0.000 0.210 225 L C 2.801 179.672 176.870 0.001 0.000 1.081 225 L CA 1.074 55.908 54.840 -0.011 0.000 0.752 225 L CB -0.685 41.361 42.059 -0.022 0.000 0.896 225 L HN 0.260 nan 8.230 nan 0.000 0.433 226 R N 0.492 120.994 120.500 0.003 0.000 2.073 226 R HA -0.116 4.224 4.340 0.001 0.000 0.234 226 R C 2.255 178.568 176.300 0.021 0.000 1.134 226 R CA 1.521 57.627 56.100 0.011 0.000 0.952 226 R CB -1.257 29.046 30.300 0.005 0.000 0.850 226 R HN 0.412 nan 8.270 nan 0.000 0.433 227 G N 1.109 109.920 108.800 0.018 0.000 2.529 227 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 227 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 227 G C 1.360 176.286 174.900 0.043 0.000 1.177 227 G CA 0.786 45.901 45.100 0.025 0.000 0.773 227 G HN 0.204 nan 8.290 nan 0.000 0.573 228 L N 0.567 121.816 121.223 0.043 0.000 2.056 228 L HA 0.089 4.430 4.340 0.001 0.000 0.207 228 L C 2.874 179.820 176.870 0.128 0.000 1.078 228 L CA 0.958 55.840 54.840 0.070 0.000 0.749 228 L CB -0.705 41.361 42.059 0.012 0.000 0.901 228 L HN 0.249 nan 8.230 nan 0.000 0.433 229 I N 0.126 120.749 120.570 0.087 0.000 2.252 229 I HA -0.238 3.933 4.170 0.001 0.000 0.245 229 I C 1.114 177.313 176.117 0.137 0.000 1.102 229 I CA 1.347 62.717 61.300 0.117 0.000 1.385 229 I CB -0.379 37.660 38.000 0.065 0.000 1.064 229 I HN 0.378 nan 8.210 nan 0.000 0.414 230 D N 0.088 120.535 120.400 0.080 0.000 2.388 230 D HA 0.056 4.696 4.640 0.001 0.000 0.221 230 D C 0.568 176.875 176.300 0.012 0.000 1.133 230 D CA -0.216 53.811 54.000 0.044 0.000 0.831 230 D CB -0.097 40.720 40.800 0.028 0.000 0.962 230 D HN 0.145 nan 8.370 nan 0.000 0.502 231 K N -0.184 120.230 120.400 0.022 0.000 2.117 231 K HA 0.385 4.706 4.320 0.001 0.000 0.240 231 K C 0.555 177.000 176.600 -0.260 0.000 1.031 231 K CA -0.010 56.246 56.287 -0.052 0.000 0.909 231 K CB 0.756 33.270 32.500 0.025 0.000 1.097 231 K HN 0.047 nan 8.250 nan 0.000 0.492 232 T N -2.647 111.679 114.554 -0.380 0.000 3.080 232 T HA 0.212 4.562 4.350 0.001 0.000 0.280 232 T C -0.640 173.662 174.700 -0.662 0.000 0.926 232 T CA -0.507 61.213 62.100 -0.634 0.000 0.883 232 T CB 0.239 68.929 68.868 -0.296 0.000 1.194 232 T HN 0.389 nan 8.240 nan 0.000 0.541 233 D N 1.460 121.641 120.400 -0.364 0.000 2.278 233 D HA 0.316 4.956 4.640 0.001 0.000 0.245 233 D C -1.649 174.721 176.300 0.118 0.000 1.052 233 D CA -0.426 53.496 54.000 -0.131 0.000 0.834 233 D CB 1.804 42.565 40.800 -0.065 0.000 1.194 233 D HN 0.135 nan 8.370 nan 0.000 0.481 234 Y N 2.362 122.666 120.300 0.006 0.000 2.842 234 Y HA 0.160 4.710 4.550 0.001 0.000 0.334 234 Y C -0.223 175.654 175.900 -0.038 0.000 1.019 234 Y CA -0.962 57.161 58.100 0.037 0.000 1.258 234 Y CB 0.427 38.850 38.460 -0.062 0.000 1.106 234 Y HN 0.006 nan 8.280 nan 0.000 0.545 235 K N 6.606 126.949 120.400 -0.095 0.000 2.083 235 K HA 0.026 4.347 4.320 0.001 0.000 0.246 235 K C 0.430 176.796 176.600 -0.390 0.000 1.160 235 K CA 0.017 56.142 56.287 -0.272 0.000 1.060 235 K CB -0.695 31.718 32.500 -0.145 0.000 1.417 235 K HN 0.748 nan 8.250 nan 0.000 0.329 236 F N 0.204 119.785 119.950 -0.614 0.000 2.780 236 F HA 0.141 4.669 4.527 0.001 0.000 0.299 236 F C 0.451 176.109 175.800 -0.235 0.000 1.146 236 F CA -0.584 57.031 58.000 -0.642 0.000 1.428 236 F CB 0.252 38.666 39.000 -0.978 0.000 1.115 236 F HN -0.053 nan 8.300 nan 0.000 0.583 237 V N 1.166 120.758 119.914 -0.537 0.000 2.932 237 V HA 0.361 4.482 4.120 0.001 0.000 0.307 237 V C -0.910 175.043 176.094 -0.234 0.000 1.147 237 V CA -0.959 61.181 62.300 -0.267 0.000 0.951 237 V CB 1.890 33.569 31.823 -0.241 0.000 1.031 237 V HN 0.118 nan 8.190 nan 0.000 0.426 238 N N 5.273 123.907 118.700 -0.111 0.000 3.210 238 N HA 0.378 5.118 4.740 0.001 0.000 0.314 238 N C -0.680 174.790 175.510 -0.067 0.000 1.291 238 N CA 0.309 53.307 53.050 -0.087 0.000 1.202 238 N CB -0.822 37.630 38.487 -0.058 0.000 1.475 238 N HN 0.616 nan 8.380 nan 0.000 0.554 239 I N -1.480 119.028 120.570 -0.103 0.000 2.994 239 I HA 0.398 4.569 4.170 0.001 0.000 0.306 239 I C 0.791 176.852 176.117 -0.094 0.000 1.195 239 I CA -1.651 59.610 61.300 -0.064 0.000 1.001 239 I CB 1.977 39.954 38.000 -0.037 0.000 1.244 239 I HN 0.055 nan 8.210 nan 0.000 0.437 240 G N 2.217 110.988 108.800 -0.047 0.000 2.441 240 G HA2 0.412 4.372 3.960 0.001 0.000 0.243 240 G HA3 0.412 4.372 3.960 0.001 0.000 0.243 240 G C 0.125 174.988 174.900 -0.062 0.000 1.281 240 G CA -0.171 44.901 45.100 -0.048 0.000 0.854 240 G HN 0.595 nan 8.290 nan 0.000 0.560 241 L N 1.422 122.601 121.223 -0.073 0.000 2.906 241 L HA 0.150 4.491 4.340 0.001 0.000 0.255 241 L C 1.016 177.874 176.870 -0.020 0.000 1.166 241 L CA -0.199 54.607 54.840 -0.056 0.000 0.977 241 L CB 0.239 42.238 42.059 -0.100 0.000 1.313 241 L HN 0.367 nan 8.230 nan 0.000 0.549 242 S N 0.677 116.367 115.700 -0.018 0.000 2.558 242 S HA -0.012 4.459 4.470 0.001 0.000 0.293 242 S C 0.590 175.178 174.600 -0.019 0.000 1.292 242 S CA 0.179 58.374 58.200 -0.008 0.000 1.063 242 S CB 0.393 63.595 63.200 0.004 0.000 0.831 242 S HN 0.164 nan 8.310 nan 0.000 0.499 243 T N 5.462 120.005 114.554 -0.018 0.000 2.799 243 T HA 0.136 4.487 4.350 0.001 0.000 0.296 243 T C 0.121 174.809 174.700 -0.021 0.000 0.947 243 T CA -0.219 61.852 62.100 -0.047 0.000 1.141 243 T CB 0.097 68.947 68.868 -0.030 0.000 0.891 243 T HN 0.282 nan 8.240 nan 0.000 0.533 244 K N 3.741 124.121 120.400 -0.034 0.000 2.307 244 K HA 0.349 4.670 4.320 0.001 0.000 0.263 244 K C 0.471 177.148 176.600 0.129 0.000 0.973 244 K CA -0.700 55.630 56.287 0.070 0.000 0.846 244 K CB 1.554 34.077 32.500 0.037 0.000 1.100 244 K HN 0.391 nan 8.250 nan 0.000 0.438 245 N N 0.271 119.063 118.700 0.155 0.000 2.322 245 N HA 0.014 4.755 4.740 0.001 0.000 0.181 245 N C -0.344 175.343 175.510 0.296 0.000 1.088 245 N CA 0.161 53.330 53.050 0.199 0.000 0.885 245 N CB 0.647 39.212 38.487 0.129 0.000 1.013 245 N HN 0.303 nan 8.380 nan 0.000 0.472 246 S N 1.957 117.809 115.700 0.252 0.000 2.499 246 S HA 0.210 4.680 4.470 0.001 0.000 0.275 246 S C 0.328 175.071 174.600 0.238 0.000 1.257 246 S CA -0.606 57.739 58.200 0.241 0.000 1.050 246 S CB 0.914 64.215 63.200 0.169 0.000 0.937 246 S HN 0.069 nan 8.310 nan 0.000 0.490 247 L N 3.085 124.403 121.223 0.159 0.000 2.558 247 L HA -0.034 4.307 4.340 0.001 0.000 0.301 247 L C 1.126 178.017 176.870 0.036 0.000 1.267 247 L CA 0.979 55.843 54.840 0.041 0.000 0.854 247 L CB -0.477 41.560 42.059 -0.036 0.000 1.103 247 L HN 0.599 nan 8.230 nan 0.000 0.522 248 T N 1.829 116.371 114.554 -0.021 0.000 2.769 248 T HA 0.243 4.594 4.350 0.001 0.000 0.293 248 T C 0.520 175.118 174.700 -0.171 0.000 0.931 248 T CA -0.341 61.648 62.100 -0.185 0.000 1.139 248 T CB -0.125 68.651 68.868 -0.154 0.000 0.881 248 T HN 0.800 nan 8.240 nan 0.000 0.532 249 T N 1.166 115.597 114.554 -0.204 0.000 2.868 249 T HA 0.118 4.468 4.350 0.001 0.000 0.292 249 T C 1.710 176.306 174.700 -0.172 0.000 1.028 249 T CA -0.573 61.439 62.100 -0.147 0.000 1.059 249 T CB 0.824 69.620 68.868 -0.120 0.000 0.991 249 T HN 0.409 nan 8.240 nan 0.000 0.531 250 T N 1.375 115.831 114.554 -0.163 0.000 2.737 250 T HA -0.121 4.230 4.350 0.001 0.000 0.269 250 T C 1.315 175.893 174.700 -0.204 0.000 1.040 250 T CA 1.865 63.837 62.100 -0.214 0.000 1.142 250 T CB -0.603 68.140 68.868 -0.208 0.000 0.861 250 T HN 0.708 nan 8.240 nan 0.000 0.456 251 D N 0.593 120.900 120.400 -0.155 0.000 2.178 251 D HA -0.020 4.620 4.640 0.001 0.000 0.202 251 D C 2.191 178.415 176.300 -0.127 0.000 0.974 251 D CA 0.828 54.751 54.000 -0.128 0.000 0.841 251 D CB -0.152 40.591 40.800 -0.095 0.000 0.953 251 D HN 0.508 nan 8.370 nan 0.000 0.478 252 E N 0.056 120.164 120.200 -0.153 0.000 2.046 252 E HA -0.035 4.316 4.350 0.001 0.000 0.190 252 E C 2.238 178.759 176.600 -0.132 0.000 0.982 252 E CA 0.325 56.630 56.400 -0.159 0.000 0.800 252 E CB 0.035 29.564 29.700 -0.285 0.000 0.756 252 E HN 0.240 nan 8.360 nan 0.000 0.449 253 I N 1.209 121.685 120.570 -0.157 0.000 2.194 253 I HA -0.353 3.818 4.170 0.001 0.000 0.246 253 I C 2.741 178.793 176.117 -0.108 0.000 1.093 253 I CA 1.335 62.561 61.300 -0.123 0.000 1.355 253 I CB -0.257 37.626 38.000 -0.195 0.000 1.046 253 I HN 0.206 nan 8.210 nan 0.000 0.413 254 Q N 0.213 119.923 119.800 -0.151 0.000 2.079 254 Q HA -0.220 4.120 4.340 0.001 0.000 0.200 254 Q C 2.347 178.308 176.000 -0.065 0.000 0.974 254 Q CA 2.046 57.777 55.803 -0.120 0.000 0.840 254 Q CB -0.016 28.639 28.738 -0.139 0.000 0.898 254 Q HN 0.346 nan 8.270 nan 0.000 0.430 255 S N -0.081 115.582 115.700 -0.062 0.000 2.356 255 S HA -0.118 4.352 4.470 0.001 0.000 0.223 255 S C 1.890 176.477 174.600 -0.020 0.000 1.032 255 S CA 1.107 59.284 58.200 -0.038 0.000 1.005 255 S CB -0.287 62.892 63.200 -0.035 0.000 0.867 255 S HN 0.426 nan 8.310 nan 0.000 0.449 256 I N 1.888 122.450 120.570 -0.014 0.000 2.068 256 I HA -0.249 3.921 4.170 0.001 0.000 0.238 256 I C 2.289 178.411 176.117 0.008 0.000 1.046 256 I CA 1.748 63.052 61.300 0.007 0.000 1.306 256 I CB -1.518 36.494 38.000 0.021 0.000 1.023 256 I HN 0.353 nan 8.210 nan 0.000 0.399 257 I N 0.636 121.219 120.570 0.022 0.000 2.194 257 I HA -0.312 3.858 4.170 0.001 0.000 0.246 257 I C 2.761 178.879 176.117 0.002 0.000 1.093 257 I CA 1.440 62.759 61.300 0.032 0.000 1.355 257 I CB -0.412 37.633 38.000 0.076 0.000 1.046 257 I HN 0.201 nan 8.210 nan 0.000 0.413 258 S N 0.655 116.349 115.700 -0.010 0.000 2.359 258 S HA -0.179 4.291 4.470 0.001 0.000 0.224 258 S C 1.814 176.397 174.600 -0.029 0.000 1.035 258 S CA 1.426 59.613 58.200 -0.021 0.000 1.018 258 S CB -0.393 62.792 63.200 -0.024 0.000 0.876 258 S HN 0.441 nan 8.310 nan 0.000 0.448 259 N N 0.867 119.550 118.700 -0.029 0.000 2.043 259 N HA -0.127 4.613 4.740 0.001 0.000 0.193 259 N C 2.134 177.597 175.510 -0.078 0.000 1.037 259 N CA 1.926 54.947 53.050 -0.048 0.000 0.851 259 N CB -1.008 37.460 38.487 -0.032 0.000 1.027 259 N HN 0.586 nan 8.380 nan 0.000 0.422 260 T N 0.793 115.314 114.554 -0.055 0.000 2.788 260 T HA -0.025 4.326 4.350 0.001 0.000 0.268 260 T C 2.187 176.854 174.700 -0.055 0.000 1.044 260 T CA 0.634 62.697 62.100 -0.062 0.000 1.139 260 T CB -0.275 68.579 68.868 -0.023 0.000 0.867 260 T HN 0.114 nan 8.240 nan 0.000 0.454 261 L N 0.460 121.660 121.223 -0.038 0.000 2.079 261 L HA -0.042 4.298 4.340 0.001 0.000 0.210 261 L C 2.984 179.831 176.870 -0.038 0.000 1.081 261 L CA 1.906 56.727 54.840 -0.032 0.000 0.752 261 L CB -0.455 41.585 42.059 -0.032 0.000 0.896 261 L HN 0.360 nan 8.230 nan 0.000 0.433 262 K N 0.013 120.382 120.400 -0.051 0.000 2.228 262 K HA -0.057 4.263 4.320 0.001 0.000 0.202 262 K C 1.814 178.369 176.600 -0.074 0.000 1.051 262 K CA 0.968 57.225 56.287 -0.049 0.000 0.960 262 K CB 0.152 32.626 32.500 -0.043 0.000 0.743 262 K HN 0.246 nan 8.250 nan 0.000 0.458 263 A N 1.140 123.878 122.820 -0.137 0.000 2.195 263 A HA 0.035 4.355 4.320 0.001 0.000 0.210 263 A C 0.648 178.155 177.584 -0.129 0.000 1.165 263 A CA 0.267 52.159 52.037 -0.242 0.000 0.806 263 A CB -0.257 18.372 19.000 -0.619 0.000 0.847 263 A HN 0.491 nan 8.150 nan 0.000 0.482 264 R N -0.458 120.002 120.500 -0.066 0.000 2.965 264 R HA -0.138 4.202 4.340 0.001 0.000 0.245 264 R C -2.586 173.723 176.300 0.016 0.000 0.861 264 R CA 0.363 56.457 56.100 -0.010 0.000 0.614 264 R CB -1.551 28.756 30.300 0.011 0.000 1.229 264 R HN 0.240 nan 8.270 nan 0.000 0.503 265 P HA -0.001 nan 4.420 nan 0.000 0.271 265 P C -0.528 176.824 177.300 0.086 0.000 1.216 265 P CA -0.417 62.726 63.100 0.072 0.000 0.771 265 P CB 0.615 32.350 31.700 0.058 0.000 0.864 266 L N 5.301 126.591 121.223 0.112 0.000 2.283 266 L HA 0.285 4.626 4.340 0.001 0.000 0.287 266 L C -0.939 176.000 176.870 0.114 0.000 1.073 266 L CA -0.128 54.777 54.840 0.109 0.000 0.822 266 L CB 0.287 42.412 42.059 0.109 0.000 1.186 266 L HN 0.036 nan 8.230 nan 0.000 0.436 267 V N 6.107 126.080 119.914 0.098 0.000 2.311 267 V HA 0.301 4.421 4.120 0.001 0.000 0.275 267 V C 0.148 176.284 176.094 0.070 0.000 1.022 267 V CA -0.480 61.849 62.300 0.048 0.000 0.830 267 V CB 1.080 32.913 31.823 0.016 0.000 1.012 267 V HN 0.854 nan 8.190 nan 0.000 0.452 268 Q N 4.205 124.023 119.800 0.029 0.000 2.307 268 Q HA 0.245 4.585 4.340 0.001 0.000 0.259 268 Q C -0.817 175.159 176.000 -0.040 0.000 0.998 268 Q CA -0.416 55.424 55.803 0.063 0.000 0.923 268 Q CB 0.383 29.184 28.738 0.106 0.000 1.196 268 Q HN 0.782 nan 8.270 nan 0.000 0.416 269 H N 3.830 122.905 119.070 0.008 0.000 2.562 269 H HA 0.324 4.881 4.556 0.001 0.000 0.314 269 H C -0.636 174.699 175.328 0.012 0.000 1.079 269 H CA -0.133 55.914 56.048 -0.001 0.000 1.349 269 H CB 0.701 30.468 29.762 0.008 0.000 1.432 269 H HN 0.555 nan 8.280 nan 0.000 0.479 270 I N 3.560 124.178 120.570 0.082 0.000 2.371 270 I HA 0.280 4.450 4.170 0.001 0.000 0.282 270 I C 0.206 176.369 176.117 0.077 0.000 1.031 270 I CA -0.092 61.254 61.300 0.078 0.000 1.180 270 I CB 0.997 39.029 38.000 0.054 0.000 1.336 270 I HN 0.554 nan 8.210 nan 0.000 0.467 271 T N 3.125 117.737 114.554 0.097 0.000 2.671 271 T HA 0.330 4.680 4.350 0.001 0.000 0.300 271 T C 0.388 175.153 174.700 0.107 0.000 1.238 271 T CA -0.456 61.701 62.100 0.094 0.000 1.020 271 T CB 1.294 70.237 68.868 0.124 0.000 1.503 271 T HN 0.578 nan 8.240 nan 0.000 0.497 272 N N 0.085 118.871 118.700 0.143 0.000 2.023 272 N HA 0.190 4.930 4.740 0.001 0.000 0.177 272 N C 1.306 176.882 175.510 0.109 0.000 1.114 272 N CA 1.445 54.582 53.050 0.145 0.000 0.940 272 N CB -0.153 38.473 38.487 0.232 0.000 1.016 272 N HN 0.661 nan 8.380 nan 0.000 0.429 273 K N -0.847 119.613 120.400 0.100 0.000 2.563 273 K HA 0.156 4.477 4.320 0.001 0.000 0.189 273 K C 1.426 178.034 176.600 0.014 0.000 1.803 273 K CA 0.573 56.890 56.287 0.050 0.000 1.139 273 K CB -0.702 31.817 32.500 0.033 0.000 1.648 273 K HN 0.225 nan 8.250 nan 0.000 0.583 274 V N -0.583 119.311 119.914 -0.033 0.000 2.453 274 V HA -0.040 4.081 4.120 0.001 0.000 0.247 274 V C 2.173 178.160 176.094 -0.177 0.000 1.048 274 V CA 2.032 64.231 62.300 -0.167 0.000 1.049 274 V CB -0.935 30.682 31.823 -0.343 0.000 0.672 274 V HN 0.651 nan 8.190 nan 0.000 0.457 275 H N -0.318 118.800 119.070 0.080 0.000 2.547 275 H HA 0.144 4.701 4.556 0.001 0.000 0.272 275 H C 2.351 177.709 175.328 0.049 0.000 0.971 275 H CA 0.693 56.801 56.048 0.100 0.000 1.245 275 H CB -0.046 29.766 29.762 0.083 0.000 1.440 275 H HN 0.370 nan 8.280 nan 0.000 0.540 276 Q N 0.855 120.727 119.800 0.120 0.000 1.998 276 Q HA -0.238 4.103 4.340 0.001 0.000 0.209 276 Q C 1.884 177.871 176.000 -0.021 0.000 1.002 276 Q CA 1.877 57.695 55.803 0.025 0.000 0.858 276 Q CB -0.410 28.345 28.738 0.028 0.000 0.932 276 Q HN 0.408 nan 8.270 nan 0.000 0.416 277 N N 0.138 118.854 118.700 0.027 0.000 2.080 277 N HA -0.145 4.596 4.740 0.001 0.000 0.189 277 N C 1.441 177.016 175.510 0.108 0.000 1.036 277 N CA 0.944 54.017 53.050 0.038 0.000 0.846 277 N CB -0.372 38.140 38.487 0.042 0.000 1.015 277 N HN 0.115 nan 8.380 nan 0.000 0.423 278 F N 0.824 120.756 119.950 -0.031 0.000 2.216 278 F HA 0.130 4.657 4.527 0.001 0.000 0.300 278 F C 2.090 177.892 175.800 0.004 0.000 1.085 278 F CA 1.320 59.317 58.000 -0.005 0.000 1.326 278 F CB -0.843 38.166 39.000 0.015 0.000 1.027 278 F HN 0.098 nan 8.300 nan 0.000 0.497 279 G N -0.733 108.024 108.800 -0.072 0.000 2.421 279 G HA2 -0.063 3.897 3.960 0.001 0.000 0.217 279 G HA3 -0.063 3.897 3.960 0.001 0.000 0.217 279 G C 1.806 176.536 174.900 -0.283 0.000 1.143 279 G CA 0.577 45.562 45.100 -0.191 0.000 0.784 279 G HN 0.517 nan 8.290 nan 0.000 0.541 280 A N 0.927 123.576 122.820 -0.286 0.000 2.014 280 A HA 0.040 4.361 4.320 0.001 0.000 0.218 280 A C 2.080 179.611 177.584 -0.089 0.000 1.163 280 A CA 1.480 53.388 52.037 -0.216 0.000 0.652 280 A CB -0.410 18.494 19.000 -0.161 0.000 0.808 280 A HN 0.471 nan 8.150 nan 0.000 0.449 281 N N -0.214 118.449 118.700 -0.062 0.000 2.106 281 N HA -0.105 4.635 4.740 0.001 0.000 0.188 281 N C 1.557 177.039 175.510 -0.047 0.000 1.029 281 N CA 1.298 54.337 53.050 -0.018 0.000 0.848 281 N CB -0.182 38.350 38.487 0.074 0.000 1.007 281 N HN 0.218 nan 8.380 nan 0.000 0.423 282 V N 1.087 120.919 119.914 -0.138 0.000 2.332 282 V HA -0.257 3.863 4.120 0.001 0.000 0.248 282 V C 2.149 178.227 176.094 -0.027 0.000 1.055 282 V CA 1.826 64.058 62.300 -0.113 0.000 1.038 282 V CB -0.856 30.851 31.823 -0.194 0.000 0.651 282 V HN 0.429 nan 8.190 nan 0.000 0.450 283 T N 0.265 114.815 114.554 -0.006 0.000 2.708 283 T HA -0.140 4.211 4.350 0.001 0.000 0.266 283 T C 1.909 176.635 174.700 0.042 0.000 1.037 283 T CA 1.279 63.407 62.100 0.047 0.000 1.146 283 T CB -0.320 68.617 68.868 0.114 0.000 0.865 283 T HN 0.128 nan 8.240 nan 0.000 0.435 284 L N 1.364 122.604 121.223 0.028 0.000 2.012 284 L HA -0.032 4.308 4.340 0.001 0.000 0.210 284 L C 2.892 179.808 176.870 0.076 0.000 1.073 284 L CA 1.802 56.666 54.840 0.040 0.000 0.748 284 L CB -1.727 40.343 42.059 0.018 0.000 0.891 284 L HN 0.274 nan 8.230 nan 0.000 0.431 285 A N -0.735 122.131 122.820 0.078 0.000 1.908 285 A HA -0.175 4.145 4.320 0.001 0.000 0.218 285 A C 2.084 179.764 177.584 0.161 0.000 1.181 285 A CA 1.380 53.517 52.037 0.167 0.000 0.627 285 A CB -0.749 18.320 19.000 0.115 0.000 0.818 285 A HN 0.436 nan 8.150 nan 0.000 0.445 286 L N -0.449 120.820 121.223 0.076 0.000 2.693 286 L HA 0.181 4.522 4.340 0.001 0.000 0.242 286 L C 1.397 178.289 176.870 0.037 0.000 1.157 286 L CA 0.320 55.184 54.840 0.040 0.000 0.929 286 L CB -0.764 41.310 42.059 0.025 0.000 1.103 286 L HN 0.581 nan 8.230 nan 0.000 0.430 287 G N 0.578 109.418 108.800 0.067 0.000 2.246 287 G HA2 -0.260 3.701 3.960 0.001 0.000 0.273 287 G HA3 -0.260 3.701 3.960 0.001 0.000 0.273 287 G C 0.051 174.975 174.900 0.039 0.000 1.055 287 G CA 0.422 45.556 45.100 0.056 0.000 0.851 287 G HN 0.474 nan 8.290 nan 0.000 0.500 288 S N -1.361 114.367 115.700 0.045 0.000 2.595 288 S HA 0.843 5.313 4.470 0.001 0.000 0.281 288 S C -0.291 174.342 174.600 0.056 0.000 1.117 288 S CA -0.148 58.079 58.200 0.045 0.000 0.873 288 S CB 2.094 65.319 63.200 0.042 0.000 1.108 288 S HN 1.356 nan 8.310 nan 0.000 0.477 289 S N 1.070 116.806 115.700 0.061 0.000 2.457 289 S HA 0.679 5.150 4.470 0.001 0.000 0.289 289 S C -2.998 171.654 174.600 0.086 0.000 1.163 289 S CA -1.417 56.821 58.200 0.064 0.000 1.078 289 S CB 0.471 63.705 63.200 0.057 0.000 0.987 289 S HN 0.498 nan 8.310 nan 0.000 0.482 290 P HA 0.525 nan 4.420 nan 0.000 0.286 290 P C -0.825 176.539 177.300 0.106 0.000 1.261 290 P CA -0.605 62.571 63.100 0.127 0.000 0.821 290 P CB 0.677 32.402 31.700 0.041 0.000 1.013 291 I N 3.159 123.818 120.570 0.148 0.000 2.582 291 I HA 0.289 4.460 4.170 0.001 0.000 0.292 291 I C 0.476 176.670 176.117 0.128 0.000 1.066 291 I CA -0.759 60.608 61.300 0.111 0.000 1.053 291 I CB 2.395 40.458 38.000 0.105 0.000 1.241 291 I HN 0.168 nan 8.210 nan 0.000 0.421 292 M N 4.024 123.676 119.600 0.088 0.000 2.869 292 M HA 0.134 4.615 4.480 0.001 0.000 0.338 292 M C 0.493 176.839 176.300 0.077 0.000 1.227 292 M CA -0.049 55.303 55.300 0.087 0.000 0.946 292 M CB -0.176 32.454 32.600 0.051 0.000 1.299 292 M HN 0.485 nan 8.290 nan 0.000 0.518 293 S N 1.583 117.331 115.700 0.081 0.000 2.531 293 S HA 0.138 4.609 4.470 0.001 0.000 0.279 293 S C 0.530 175.173 174.600 0.072 0.000 1.305 293 S CA 0.220 58.462 58.200 0.070 0.000 1.058 293 S CB 0.562 63.804 63.200 0.071 0.000 0.899 293 S HN 0.534 nan 8.310 nan 0.000 0.493 294 E N 4.064 124.299 120.200 0.059 0.000 2.869 294 E HA 0.280 4.630 4.350 0.001 0.000 0.207 294 E C -0.826 175.801 176.600 0.045 0.000 0.986 294 E CA -0.043 56.391 56.400 0.056 0.000 1.131 294 E CB 0.447 30.178 29.700 0.053 0.000 1.098 294 E HN 0.644 nan 8.360 nan 0.000 0.459 295 I N 1.415 122.011 120.570 0.043 0.000 2.339 295 I HA 0.101 4.272 4.170 0.001 0.000 0.290 295 I C 1.513 177.647 176.117 0.029 0.000 0.994 295 I CA -0.473 60.846 61.300 0.032 0.000 1.191 295 I CB 1.608 39.625 38.000 0.028 0.000 1.343 295 I HN 0.004 nan 8.210 nan 0.000 0.458 296 Q N 2.706 122.517 119.800 0.018 0.000 2.112 296 Q HA -0.187 4.154 4.340 0.001 0.000 0.206 296 Q C 2.068 178.072 176.000 0.006 0.000 0.987 296 Q CA 2.310 58.118 55.803 0.009 0.000 0.858 296 Q CB 0.045 28.781 28.738 -0.003 0.000 0.905 296 Q HN 0.890 nan 8.270 nan 0.000 0.420 297 S N 0.458 116.161 115.700 0.004 0.000 2.402 297 S HA -0.121 4.349 4.470 0.001 0.000 0.229 297 S C 1.624 176.225 174.600 0.001 0.000 1.021 297 S CA 0.815 59.015 58.200 -0.001 0.000 0.974 297 S CB -0.172 63.028 63.200 -0.001 0.000 0.800 297 S HN 0.328 nan 8.310 nan 0.000 0.484 298 E N 0.701 120.907 120.200 0.011 0.000 2.208 298 E HA -0.019 4.332 4.350 0.001 0.000 0.193 298 E C 1.917 178.525 176.600 0.013 0.000 0.988 298 E CA 0.481 56.890 56.400 0.015 0.000 0.828 298 E CB -0.177 29.540 29.700 0.028 0.000 0.763 298 E HN 0.294 nan 8.360 nan 0.000 0.478 299 V N 1.945 121.872 119.914 0.022 0.000 2.324 299 V HA -0.301 3.820 4.120 0.001 0.000 0.250 299 V C 1.916 177.991 176.094 -0.031 0.000 1.060 299 V CA 1.709 64.029 62.300 0.035 0.000 1.042 299 V CB -0.337 31.520 31.823 0.058 0.000 0.650 299 V HN 0.340 nan 8.190 nan 0.000 0.450 300 N N -0.303 118.370 118.700 -0.045 0.000 2.270 300 N HA -0.112 4.629 4.740 0.001 0.000 0.181 300 N C 1.471 176.925 175.510 -0.092 0.000 1.016 300 N CA 1.330 54.330 53.050 -0.084 0.000 0.870 300 N CB -0.212 38.239 38.487 -0.060 0.000 0.979 300 N HN 0.542 nan 8.380 nan 0.000 0.431 301 D N 0.648 121.014 120.400 -0.057 0.000 2.103 301 D HA -0.074 4.566 4.640 0.001 0.000 0.199 301 D C 2.041 178.310 176.300 -0.052 0.000 0.978 301 D CA 0.307 54.279 54.000 -0.046 0.000 0.829 301 D CB -0.177 40.611 40.800 -0.021 0.000 0.981 301 D HN 0.056 nan 8.370 nan 0.000 0.464 302 L N 1.513 122.714 121.223 -0.037 0.000 1.990 302 L HA -0.157 4.184 4.340 0.001 0.000 0.213 302 L C 2.463 179.274 176.870 -0.098 0.000 1.072 302 L CA 1.527 56.359 54.840 -0.014 0.000 0.755 302 L CB -1.395 40.700 42.059 0.060 0.000 0.889 302 L HN -0.030 nan 8.230 nan 0.000 0.432 303 A N -1.269 121.370 122.820 -0.303 0.000 2.125 303 A HA -0.052 4.269 4.320 0.001 0.000 0.219 303 A C 2.324 179.734 177.584 -0.290 0.000 1.156 303 A CA 1.466 53.139 52.037 -0.607 0.000 0.671 303 A CB -0.682 17.698 19.000 -1.034 0.000 0.794 303 A HN 0.418 nan 8.150 nan 0.000 0.459 304 A N -0.641 122.075 122.820 -0.173 0.000 2.123 304 A HA 0.308 4.629 4.320 0.001 0.000 0.214 304 A C 0.955 178.497 177.584 -0.070 0.000 1.152 304 A CA -0.030 51.942 52.037 -0.109 0.000 0.728 304 A CB -0.300 18.652 19.000 -0.081 0.000 0.814 304 A HN 0.458 nan 8.150 nan 0.000 0.464 305 I N 1.228 121.768 120.570 -0.050 0.000 2.634 305 I HA 0.113 4.284 4.170 0.001 0.000 0.284 305 I C -2.134 173.979 176.117 -0.008 0.000 1.124 305 I CA -1.913 59.380 61.300 -0.012 0.000 1.417 305 I CB 0.859 38.869 38.000 0.018 0.000 1.396 305 I HN 0.052 nan 8.210 nan 0.000 0.571 306 P HA 0.006 nan 4.420 nan 0.000 0.265 306 P C -0.674 176.659 177.300 0.056 0.000 1.193 306 P CA 0.385 63.464 63.100 -0.035 0.000 0.765 306 P CB 0.097 31.814 31.700 0.028 0.000 0.823 307 H N -0.790 118.301 119.070 0.035 0.000 2.770 307 H HA -0.149 4.408 4.556 0.001 0.000 0.309 307 H C 0.368 175.741 175.328 0.074 0.000 1.206 307 H CA 0.423 56.500 56.048 0.049 0.000 1.147 307 H CB -1.770 28.015 29.762 0.039 0.000 1.422 307 H HN 0.542 nan 8.280 nan 0.000 0.420 308 A N 0.506 123.419 122.820 0.156 0.000 2.322 308 A HA 0.677 4.998 4.320 0.001 0.000 0.269 308 A C 0.609 178.370 177.584 0.295 0.000 1.094 308 A CA 0.491 52.658 52.037 0.216 0.000 0.807 308 A CB 0.883 19.995 19.000 0.187 0.000 1.047 308 A HN 0.307 nan 8.150 nan 0.000 0.487 309 T N 1.030 115.748 114.554 0.273 0.000 2.956 309 T HA 0.472 4.823 4.350 0.001 0.000 0.312 309 T C -1.326 173.263 174.700 -0.185 0.000 1.151 309 T CA -0.342 61.810 62.100 0.086 0.000 1.024 309 T CB 1.238 70.128 68.868 0.036 0.000 1.140 309 T HN 0.591 nan 8.240 nan 0.000 0.473 310 L N 3.207 124.157 121.223 -0.455 0.000 2.322 310 L HA 0.681 5.022 4.340 0.001 0.000 0.281 310 L C -1.183 175.502 176.870 -0.309 0.000 1.014 310 L CA -0.754 53.743 54.840 -0.571 0.000 0.815 310 L CB 1.166 42.651 42.059 -0.957 0.000 1.247 310 L HN 0.576 nan 8.230 nan 0.000 0.421 311 L N 6.706 127.755 121.223 -0.291 0.000 2.319 311 L HA 0.493 4.833 4.340 0.001 0.000 0.281 311 L C -1.430 175.335 176.870 -0.176 0.000 1.005 311 L CA -0.517 54.166 54.840 -0.262 0.000 0.828 311 L CB 1.473 43.280 42.059 -0.419 0.000 1.227 311 L HN 0.625 nan 8.230 nan 0.000 0.415 312 L N 4.939 126.093 121.223 -0.115 0.000 2.282 312 L HA 0.418 4.758 4.340 0.001 0.000 0.288 312 L C -0.458 176.387 176.870 -0.041 0.000 1.033 312 L CA -0.442 54.385 54.840 -0.023 0.000 0.807 312 L CB 1.827 43.923 42.059 0.062 0.000 1.209 312 L HN 0.647 nan 8.230 nan 0.000 0.423 313 N N 0.726 119.411 118.700 -0.025 0.000 2.525 313 N HA 0.657 5.397 4.740 0.001 0.000 0.288 313 N C -0.798 174.723 175.510 0.018 0.000 1.242 313 N CA -0.567 52.444 53.050 -0.066 0.000 0.905 313 N CB 1.891 40.318 38.487 -0.100 0.000 1.258 313 N HN 0.407 nan 8.380 nan 0.000 0.551 314 T N -1.395 113.157 114.554 -0.003 0.000 2.887 314 T HA 0.586 4.937 4.350 0.001 0.000 0.292 314 T C 0.279 175.006 174.700 0.045 0.000 1.087 314 T CA 0.077 62.210 62.100 0.056 0.000 1.009 314 T CB 1.375 70.294 68.868 0.085 0.000 1.203 314 T HN 0.758 nan 8.240 nan 0.000 0.518 315 G N 1.415 110.249 108.800 0.056 0.000 2.221 315 G HA2 -0.210 3.750 3.960 0.001 0.000 0.265 315 G HA3 -0.210 3.750 3.960 0.001 0.000 0.265 315 G C 0.215 175.148 174.900 0.054 0.000 1.041 315 G CA 0.605 45.733 45.100 0.048 0.000 0.807 315 G HN 0.786 nan 8.290 nan 0.000 0.502 316 S N -1.959 113.779 115.700 0.062 0.000 2.669 316 S HA 0.526 4.997 4.470 0.001 0.000 0.270 316 S C 1.453 176.088 174.600 0.058 0.000 1.225 316 S CA 0.247 58.485 58.200 0.064 0.000 0.991 316 S CB 1.772 65.014 63.200 0.070 0.000 0.987 316 S HN 1.107 nan 8.310 nan 0.000 0.552 317 V N 2.284 122.231 119.914 0.054 0.000 3.573 317 V HA 0.376 4.497 4.120 0.001 0.000 0.270 317 V C 0.808 176.930 176.094 0.047 0.000 1.221 317 V CA 0.992 63.320 62.300 0.046 0.000 1.163 317 V CB -0.871 30.976 31.823 0.041 0.000 0.847 317 V HN 0.833 nan 8.190 nan 0.000 0.468 318 A N 1.598 124.451 122.820 0.055 0.000 2.363 318 A HA 0.665 4.986 4.320 0.001 0.000 0.270 318 A C -2.375 175.244 177.584 0.058 0.000 1.121 318 A CA -1.252 50.817 52.037 0.054 0.000 0.800 318 A CB 0.024 19.059 19.000 0.059 0.000 1.052 318 A HN 0.395 nan 8.150 nan 0.000 0.493 319 P HA 0.213 nan 4.420 nan 0.000 0.271 319 P C -2.041 175.294 177.300 0.058 0.000 1.216 319 P CA -1.184 61.944 63.100 0.047 0.000 0.776 319 P CB 0.214 31.930 31.700 0.028 0.000 0.881 320 P HA -0.251 nan 4.420 nan 0.000 0.217 320 P C 1.578 178.877 177.300 -0.002 0.000 1.151 320 P CA 2.241 65.422 63.100 0.135 0.000 0.849 320 P CB -0.369 31.446 31.700 0.193 0.000 0.787 321 E N -0.208 119.978 120.200 -0.024 0.000 2.160 321 E HA -0.245 4.105 4.350 0.001 0.000 0.195 321 E C 1.734 178.265 176.600 -0.115 0.000 0.991 321 E CA 2.098 58.444 56.400 -0.091 0.000 0.810 321 E CB -1.455 28.217 29.700 -0.047 0.000 0.742 321 E HN 0.486 nan 8.360 nan 0.000 0.466 322 M N -1.126 118.440 119.600 -0.057 0.000 2.357 322 M HA 0.251 4.732 4.480 0.001 0.000 0.266 322 M C 2.238 178.518 176.300 -0.034 0.000 1.095 322 M CA 1.013 56.291 55.300 -0.037 0.000 1.156 322 M CB 0.125 32.727 32.600 0.002 0.000 1.365 322 M HN 0.180 nan 8.290 nan 0.000 0.447 323 L N 0.749 121.967 121.223 -0.008 0.000 1.989 323 L HA -0.211 4.130 4.340 0.001 0.000 0.211 323 L C 2.776 179.603 176.870 -0.071 0.000 1.071 323 L CA 2.045 56.911 54.840 0.044 0.000 0.749 323 L CB -1.050 41.111 42.059 0.170 0.000 0.890 323 L HN 0.486 nan 8.230 nan 0.000 0.431 324 K N 0.316 120.447 120.400 -0.448 0.000 2.044 324 K HA -0.253 4.068 4.320 0.001 0.000 0.210 324 K C 2.091 178.501 176.600 -0.317 0.000 1.049 324 K CA 1.723 57.500 56.287 -0.850 0.000 0.927 324 K CB -0.128 31.589 32.500 -1.306 0.000 0.713 324 K HN 0.305 nan 8.250 nan 0.000 0.443 325 A N 0.672 123.371 122.820 -0.201 0.000 1.933 325 A HA -0.082 4.238 4.320 0.001 0.000 0.218 325 A C 2.273 179.852 177.584 -0.008 0.000 1.175 325 A CA 1.856 53.837 52.037 -0.093 0.000 0.628 325 A CB -0.688 18.272 19.000 -0.067 0.000 0.814 325 A HN 0.514 nan 8.150 nan 0.000 0.444 326 A N -0.069 122.774 122.820 0.038 0.000 1.854 326 A HA 0.015 4.336 4.320 0.001 0.000 0.214 326 A C 2.104 179.821 177.584 0.221 0.000 1.192 326 A CA 1.305 53.432 52.037 0.150 0.000 0.611 326 A CB -0.622 18.464 19.000 0.143 0.000 0.832 326 A HN 0.443 nan 8.150 nan 0.000 0.442 327 I N -0.549 120.116 120.570 0.159 0.000 2.118 327 I HA -0.330 3.841 4.170 0.001 0.000 0.241 327 I C 2.712 178.926 176.117 0.162 0.000 1.070 327 I CA 2.069 63.485 61.300 0.193 0.000 1.327 327 I CB -0.267 37.866 38.000 0.223 0.000 1.034 327 I HN 0.392 nan 8.210 nan 0.000 0.405 328 R N 1.545 122.093 120.500 0.079 0.000 2.091 328 R HA -0.172 4.169 4.340 0.001 0.000 0.238 328 R C 2.235 178.574 176.300 0.065 0.000 1.136 328 R CA 1.858 57.985 56.100 0.045 0.000 0.959 328 R CB -0.661 29.625 30.300 -0.023 0.000 0.856 328 R HN 0.348 nan 8.270 nan 0.000 0.437 329 A N -0.378 122.485 122.820 0.072 0.000 1.917 329 A HA -0.203 4.118 4.320 0.001 0.000 0.219 329 A C 2.079 179.654 177.584 -0.016 0.000 1.182 329 A CA 1.711 53.757 52.037 0.015 0.000 0.633 329 A CB -0.955 18.046 19.000 0.001 0.000 0.819 329 A HN 0.548 nan 8.150 nan 0.000 0.448 330 Y N -0.200 120.124 120.300 0.039 0.000 2.220 330 Y HA -0.115 4.435 4.550 0.001 0.000 0.291 330 Y C 2.349 178.286 175.900 0.062 0.000 1.129 330 Y CA 1.598 59.730 58.100 0.054 0.000 1.161 330 Y CB -0.572 37.933 38.460 0.076 0.000 0.997 330 Y HN 0.413 nan 8.280 nan 0.000 0.522 331 N N -0.151 118.676 118.700 0.213 0.000 2.289 331 N HA -0.180 4.560 4.740 0.001 0.000 0.184 331 N C 0.955 176.534 175.510 0.114 0.000 1.016 331 N CA 1.019 54.167 53.050 0.163 0.000 0.872 331 N CB -0.075 38.498 38.487 0.143 0.000 0.973 331 N HN 0.302 nan 8.380 nan 0.000 0.433 332 D N 0.058 120.498 120.400 0.068 0.000 2.178 332 D HA -0.053 4.587 4.640 0.001 0.000 0.202 332 D C 1.328 177.637 176.300 0.015 0.000 0.974 332 D CA 0.807 54.827 54.000 0.032 0.000 0.841 332 D CB 0.132 40.932 40.800 -0.001 0.000 0.953 332 D HN 0.096 nan 8.370 nan 0.000 0.478 333 V N 0.611 120.525 119.914 -0.001 0.000 3.444 333 V HA 0.072 4.193 4.120 0.001 0.000 0.308 333 V C 0.452 176.548 176.094 0.003 0.000 1.371 333 V CA -0.245 62.041 62.300 -0.024 0.000 1.141 333 V CB -0.677 31.096 31.823 -0.082 0.000 1.037 333 V HN 0.180 nan 8.190 nan 0.000 0.433 334 K N 0.595 121.021 120.400 0.042 0.000 3.077 334 K HA -0.201 4.120 4.320 0.001 0.000 0.264 334 K C 0.120 176.754 176.600 0.056 0.000 1.008 334 K CA 0.514 56.828 56.287 0.045 0.000 0.740 334 K CB -0.952 31.546 32.500 -0.004 0.000 1.273 334 K HN 0.442 nan 8.250 nan 0.000 0.477 335 R N -0.071 120.504 120.500 0.125 0.000 2.674 335 R HA 0.427 4.768 4.340 0.001 0.000 0.266 335 R C -2.469 173.973 176.300 0.237 0.000 1.016 335 R CA -2.129 54.078 56.100 0.179 0.000 1.062 335 R CB 0.891 31.340 30.300 0.249 0.000 1.142 335 R HN -0.098 nan 8.270 nan 0.000 0.517 336 P HA 0.351 nan 4.420 nan 0.000 0.284 336 P C -0.508 176.863 177.300 0.117 0.000 1.253 336 P CA -0.166 63.034 63.100 0.168 0.000 0.800 336 P CB 0.679 32.451 31.700 0.121 0.000 0.961 337 I N 2.248 122.914 120.570 0.160 0.000 2.433 337 I HA 0.357 4.528 4.170 0.001 0.000 0.292 337 I C -0.412 175.758 176.117 0.087 0.000 1.001 337 I CA -1.107 60.252 61.300 0.098 0.000 1.119 337 I CB 2.044 40.213 38.000 0.283 0.000 1.289 337 I HN -0.053 nan 8.210 nan 0.000 0.438 338 V N 6.202 126.093 119.914 -0.038 0.000 2.417 338 V HA 0.316 4.437 4.120 0.001 0.000 0.291 338 V C -0.709 175.305 176.094 -0.134 0.000 1.024 338 V CA -0.592 61.670 62.300 -0.064 0.000 0.861 338 V CB 1.745 33.517 31.823 -0.085 0.000 0.985 338 V HN 0.429 nan 8.190 nan 0.000 0.436 339 F N 4.723 124.431 119.950 -0.404 0.000 2.332 339 F HA 0.560 5.088 4.527 0.001 0.000 0.368 339 F C -0.104 175.493 175.800 -0.337 0.000 1.110 339 F CA -1.302 56.372 58.000 -0.545 0.000 1.087 339 F CB 1.064 39.489 39.000 -0.958 0.000 1.235 339 F HN 0.520 nan 8.300 nan 0.000 0.470 340 D N 8.540 128.603 120.400 -0.562 0.000 2.456 340 D HA 0.328 4.969 4.640 0.001 0.000 0.287 340 D C -2.836 173.101 176.300 -0.604 0.000 1.186 340 D CA -2.451 51.232 54.000 -0.529 0.000 0.916 340 D CB 0.898 41.507 40.800 -0.319 0.000 1.029 340 D HN 0.160 nan 8.370 nan 0.000 0.498 341 P HA -0.039 nan 4.420 nan 0.000 0.262 341 P C 1.106 178.242 177.300 -0.273 0.000 1.199 341 P CA -0.120 62.636 63.100 -0.572 0.000 0.763 341 P CB 1.192 32.574 31.700 -0.529 0.000 0.790 342 V N 3.303 123.111 119.914 -0.177 0.000 2.951 342 V HA -0.036 4.085 4.120 0.001 0.000 0.255 342 V C 2.242 178.320 176.094 -0.026 0.000 1.088 342 V CA 1.741 63.977 62.300 -0.105 0.000 1.109 342 V CB -1.399 30.372 31.823 -0.087 0.000 0.724 342 V HN 0.688 nan 8.190 nan 0.000 0.471 343 G N 0.052 108.851 108.800 -0.001 0.000 2.950 343 G HA2 -0.227 3.734 3.960 0.001 0.000 0.190 343 G HA3 -0.227 3.734 3.960 0.001 0.000 0.190 343 G C 0.338 175.271 174.900 0.056 0.000 1.458 343 G CA 1.155 46.272 45.100 0.028 0.000 0.800 343 G HN 0.578 nan 8.290 nan 0.000 0.685 344 Y N -0.608 119.659 120.300 -0.054 0.000 2.377 344 Y HA 0.432 4.983 4.550 0.001 0.000 0.339 344 Y C 0.905 176.799 175.900 -0.010 0.000 1.011 344 Y CA 0.119 58.197 58.100 -0.037 0.000 1.093 344 Y CB 1.996 40.417 38.460 -0.066 0.000 1.201 344 Y HN 0.720 nan 8.280 nan 0.000 0.455 345 S N 2.575 117.913 115.700 -0.603 0.000 3.380 345 S HA -0.304 4.167 4.470 0.001 0.000 0.300 345 S C 0.949 175.481 174.600 -0.113 0.000 1.255 345 S CA 1.093 59.081 58.200 -0.354 0.000 0.963 345 S CB -1.596 61.475 63.200 -0.215 0.000 1.106 345 S HN 1.322 nan 8.310 nan 0.000 0.629 346 A N 0.048 122.823 122.820 -0.075 0.000 1.970 346 A HA 0.386 4.706 4.320 0.001 0.000 0.216 346 A C 1.194 178.759 177.584 -0.032 0.000 1.170 346 A CA 1.643 53.664 52.037 -0.025 0.000 0.645 346 A CB -0.226 18.771 19.000 -0.005 0.000 0.816 346 A HN 1.674 nan 8.150 nan 0.000 0.447 347 T N -5.423 109.099 114.554 -0.053 0.000 2.868 347 T HA 0.418 4.769 4.350 0.001 0.000 0.306 347 T C 0.329 174.992 174.700 -0.062 0.000 1.224 347 T CA -0.338 61.736 62.100 -0.042 0.000 1.012 347 T CB 1.565 70.418 68.868 -0.026 0.000 1.221 347 T HN 0.027 nan 8.240 nan 0.000 0.499 348 E N 0.897 121.069 120.200 -0.046 0.000 2.097 348 E HA -0.146 4.204 4.350 0.001 0.000 0.196 348 E C 1.773 178.342 176.600 -0.052 0.000 1.000 348 E CA 1.928 58.299 56.400 -0.050 0.000 0.804 348 E CB -0.416 29.265 29.700 -0.030 0.000 0.740 348 E HN 0.804 nan 8.360 nan 0.000 0.454 349 T N 0.216 114.748 114.554 -0.037 0.000 2.821 349 T HA -0.097 4.253 4.350 0.001 0.000 0.267 349 T C 1.972 176.650 174.700 -0.036 0.000 1.046 349 T CA 1.034 63.119 62.100 -0.026 0.000 1.139 349 T CB -0.044 68.819 68.868 -0.009 0.000 0.871 349 T HN 0.128 nan 8.240 nan 0.000 0.454 350 R N 0.067 120.534 120.500 -0.055 0.000 2.057 350 R HA 0.044 4.385 4.340 0.001 0.000 0.229 350 R C 2.345 178.558 176.300 -0.145 0.000 1.136 350 R CA 0.856 56.916 56.100 -0.067 0.000 0.952 350 R CB -0.622 29.640 30.300 -0.062 0.000 0.848 350 R HN 0.198 nan 8.270 nan 0.000 0.430 351 L N 1.129 122.204 121.223 -0.247 0.000 2.010 351 L HA -0.284 4.057 4.340 0.001 0.000 0.219 351 L C 1.987 178.743 176.870 -0.190 0.000 1.077 351 L CA 1.848 56.463 54.840 -0.375 0.000 0.773 351 L CB -0.721 41.166 42.059 -0.287 0.000 0.892 351 L HN 0.221 nan 8.230 nan 0.000 0.436 352 L N -1.089 120.073 121.223 -0.102 0.000 1.997 352 L HA -0.266 4.075 4.340 0.001 0.000 0.216 352 L C 2.637 179.490 176.870 -0.028 0.000 1.074 352 L CA 2.444 57.255 54.840 -0.049 0.000 0.763 352 L CB -1.204 40.839 42.059 -0.028 0.000 0.890 352 L HN 0.496 nan 8.230 nan 0.000 0.434 353 L N 0.088 121.305 121.223 -0.010 0.000 2.056 353 L HA -0.167 4.174 4.340 0.001 0.000 0.207 353 L C 2.249 179.141 176.870 0.036 0.000 1.078 353 L CA 1.629 56.484 54.840 0.025 0.000 0.749 353 L CB -0.691 41.399 42.059 0.051 0.000 0.901 353 L HN 0.263 nan 8.230 nan 0.000 0.433 354 N N 0.370 119.115 118.700 0.076 0.000 2.084 354 N HA -0.186 4.555 4.740 0.001 0.000 0.190 354 N C 1.631 177.220 175.510 0.132 0.000 1.030 354 N CA 1.911 55.093 53.050 0.219 0.000 0.849 354 N CB -0.616 38.141 38.487 0.450 0.000 1.012 354 N HN 0.562 nan 8.380 nan 0.000 0.423 355 N N 0.710 119.468 118.700 0.096 0.000 2.223 355 N HA -0.114 4.627 4.740 0.001 0.000 0.185 355 N C 1.692 177.135 175.510 -0.112 0.000 1.016 355 N CA 0.727 53.803 53.050 0.043 0.000 0.863 355 N CB 0.055 38.571 38.487 0.049 0.000 0.983 355 N HN 0.263 nan 8.380 nan 0.000 0.429 356 K N 1.025 121.325 120.400 -0.167 0.000 2.097 356 K HA -0.018 4.303 4.320 0.001 0.000 0.205 356 K C 1.847 177.951 176.600 -0.825 0.000 1.050 356 K CA 0.612 56.682 56.287 -0.363 0.000 0.938 356 K CB 0.050 32.428 32.500 -0.203 0.000 0.718 356 K HN 0.148 nan 8.250 nan 0.000 0.442 357 L N 0.841 121.751 121.223 -0.522 0.000 2.046 357 L HA -0.179 4.162 4.340 0.001 0.000 0.208 357 L C 1.972 178.605 176.870 -0.394 0.000 1.077 357 L CA 1.049 55.607 54.840 -0.470 0.000 0.747 357 L CB -0.248 41.701 42.059 -0.183 0.000 0.896 357 L HN 0.236 nan 8.230 nan 0.000 0.432 358 L N -0.472 120.563 121.223 -0.313 0.000 2.622 358 L HA -0.095 4.246 4.340 0.001 0.000 0.233 358 L C 2.175 178.912 176.870 -0.222 0.000 1.156 358 L CA 0.967 55.671 54.840 -0.226 0.000 0.866 358 L CB -0.627 41.295 42.059 -0.228 0.000 0.980 358 L HN 0.398 nan 8.230 nan 0.000 0.448 359 T N -5.133 109.238 114.554 -0.305 0.000 3.040 359 T HA 0.088 4.439 4.350 0.001 0.000 0.250 359 T C 1.359 176.112 174.700 0.088 0.000 1.058 359 T CA -0.009 62.024 62.100 -0.111 0.000 0.988 359 T CB -0.225 68.562 68.868 -0.135 0.000 0.993 359 T HN 0.233 nan 8.240 nan 0.000 0.519 360 F N 1.702 121.639 119.950 -0.022 0.000 2.512 360 F HA 0.452 4.980 4.527 0.002 0.000 0.296 360 F C 1.743 177.467 175.800 -0.126 0.000 1.110 360 F CA -0.058 57.918 58.000 -0.040 0.000 1.446 360 F CB 0.400 39.391 39.000 -0.015 0.000 1.092 360 F HN 0.528 nan 8.300 nan 0.000 0.554 361 G N -0.814 107.917 108.800 -0.116 0.000 2.341 361 G HA2 0.206 4.166 3.960 0.001 0.000 0.299 361 G HA3 0.206 4.166 3.960 0.001 0.000 0.299 361 G C -1.992 172.602 174.900 -0.509 0.000 1.274 361 G CA -0.641 44.323 45.100 -0.227 0.000 0.853 361 G HN -0.275 nan 8.290 nan 0.000 0.493 362 Q N 0.213 119.790 119.800 -0.371 0.000 2.314 362 Q HA 0.554 4.894 4.340 0.001 0.000 0.259 362 Q C -1.131 174.615 176.000 -0.424 0.000 0.951 362 Q CA -0.375 55.164 55.803 -0.440 0.000 0.909 362 Q CB 1.008 29.524 28.738 -0.370 0.000 1.236 362 Q HN 0.359 nan 8.270 nan 0.000 0.444 363 F N 0.592 120.459 119.950 -0.139 0.000 2.394 363 F HA 0.197 4.724 4.527 0.001 0.000 0.340 363 F C 1.679 177.508 175.800 0.049 0.000 1.105 363 F CA -0.491 57.487 58.000 -0.037 0.000 1.124 363 F CB 1.377 40.354 39.000 -0.037 0.000 1.145 363 F HN 0.467 nan 8.300 nan 0.000 0.505 364 S N 0.770 116.701 115.700 0.385 0.000 2.406 364 S HA -0.080 4.391 4.470 0.001 0.000 0.228 364 S C 0.118 174.887 174.600 0.282 0.000 1.020 364 S CA 0.381 58.820 58.200 0.398 0.000 0.965 364 S CB 0.046 63.431 63.200 0.310 0.000 0.798 364 S HN 0.691 nan 8.310 nan 0.000 0.488 365 C N 0.766 120.196 119.300 0.218 0.000 2.985 365 C HA 0.663 5.123 4.460 0.001 0.000 0.332 365 C C -1.625 173.423 174.990 0.098 0.000 1.164 365 C CA -1.167 57.942 59.018 0.152 0.000 1.347 365 C CB 0.216 28.017 27.740 0.102 0.000 1.764 365 C HN 0.387 nan 8.230 nan 0.000 0.489 366 I N 4.785 125.407 120.570 0.085 0.000 2.436 366 I HA 0.482 4.653 4.170 0.001 0.000 0.289 366 I C -0.437 175.652 176.117 -0.047 0.000 1.010 366 I CA -0.325 60.985 61.300 0.017 0.000 1.098 366 I CB 1.650 39.691 38.000 0.067 0.000 1.266 366 I HN 0.605 nan 8.210 nan 0.000 0.434 367 K N 5.277 125.585 120.400 -0.153 0.000 2.450 367 K HA 0.727 5.047 4.320 0.001 0.000 0.257 367 K C -0.835 175.650 176.600 -0.191 0.000 0.953 367 K CA -0.348 55.855 56.287 -0.141 0.000 0.844 367 K CB 1.963 34.373 32.500 -0.149 0.000 1.103 367 K HN 0.845 nan 8.250 nan 0.000 0.429 368 G N 2.182 110.909 108.800 -0.121 0.000 2.733 368 G HA2 0.299 4.259 3.960 0.001 0.000 0.288 368 G HA3 0.299 4.259 3.960 0.001 0.000 0.288 368 G C -1.165 173.712 174.900 -0.039 0.000 1.373 368 G CA -0.978 44.054 45.100 -0.113 0.000 0.895 368 G HN 0.741 nan 8.290 nan 0.000 0.479 369 N N -1.555 117.133 118.700 -0.020 0.000 2.448 369 N HA 0.322 5.062 4.740 0.001 0.000 0.274 369 N C 1.662 177.197 175.510 0.043 0.000 1.239 369 N CA 0.186 53.249 53.050 0.023 0.000 0.982 369 N CB 1.002 39.504 38.487 0.025 0.000 1.199 369 N HN 0.486 nan 8.380 nan 0.000 0.576 370 S N -0.496 115.244 115.700 0.067 0.000 2.393 370 S HA -0.298 4.172 4.470 0.001 0.000 0.234 370 S C 1.653 176.287 174.600 0.057 0.000 1.064 370 S CA 1.783 60.027 58.200 0.073 0.000 1.088 370 S CB -1.176 62.072 63.200 0.080 0.000 0.939 370 S HN 0.548 nan 8.310 nan 0.000 0.448 371 S N 1.792 117.524 115.700 0.053 0.000 2.335 371 S HA -0.035 4.435 4.470 0.001 0.000 0.217 371 S C 1.951 176.595 174.600 0.074 0.000 1.032 371 S CA 1.079 59.316 58.200 0.061 0.000 0.985 371 S CB -0.516 62.720 63.200 0.059 0.000 0.896 371 S HN 0.661 nan 8.310 nan 0.000 0.445 372 E N 0.719 120.955 120.200 0.060 0.000 2.108 372 E HA -0.194 4.157 4.350 0.001 0.000 0.203 372 E C 1.922 178.500 176.600 -0.037 0.000 1.022 372 E CA 1.285 57.706 56.400 0.035 0.000 0.823 372 E CB -0.229 29.450 29.700 -0.035 0.000 0.744 372 E HN 0.329 nan 8.360 nan 0.000 0.456 373 I N 0.671 121.232 120.570 -0.015 0.000 2.233 373 I HA -0.213 3.958 4.170 0.001 0.000 0.243 373 I C 2.442 178.571 176.117 0.020 0.000 1.093 373 I CA 1.096 62.390 61.300 -0.010 0.000 1.380 373 I CB -0.860 37.155 38.000 0.025 0.000 1.067 373 I HN 0.186 nan 8.210 nan 0.000 0.413 374 L N 0.448 121.695 121.223 0.041 0.000 2.042 374 L HA -0.177 4.164 4.340 0.001 0.000 0.210 374 L C 2.641 179.555 176.870 0.074 0.000 1.076 374 L CA 1.616 56.486 54.840 0.049 0.000 0.749 374 L CB -1.153 40.934 42.059 0.047 0.000 0.893 374 L HN 0.295 nan 8.230 nan 0.000 0.432 375 G N 0.045 108.909 108.800 0.108 0.000 2.446 375 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 375 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 375 G C 1.619 176.641 174.900 0.204 0.000 1.168 375 G CA 0.602 45.820 45.100 0.196 0.000 0.771 375 G HN 0.237 nan 8.290 nan 0.000 0.551 376 L N 0.697 121.954 121.223 0.056 0.000 2.131 376 L HA -0.056 4.285 4.340 0.001 0.000 0.210 376 L C 3.247 180.199 176.870 0.137 0.000 1.092 376 L CA 0.932 55.780 54.840 0.014 0.000 0.759 376 L CB -0.207 41.758 42.059 -0.156 0.000 0.903 376 L HN 0.324 nan 8.230 nan 0.000 0.435 377 A N -0.993 121.882 122.820 0.092 0.000 2.167 377 A HA -0.106 4.215 4.320 0.001 0.000 0.214 377 A C 0.983 178.606 177.584 0.065 0.000 1.151 377 A CA 0.464 52.545 52.037 0.074 0.000 0.735 377 A CB -0.208 18.820 19.000 0.047 0.000 0.802 377 A HN 0.542 nan 8.150 nan 0.000 0.467 378 E N -3.266 116.986 120.200 0.087 0.000 2.513 378 E HA -0.231 4.120 4.350 0.001 0.000 0.257 378 E C 0.288 176.918 176.600 0.049 0.000 1.098 378 E CA 0.201 56.646 56.400 0.076 0.000 0.752 378 E CB -2.844 26.895 29.700 0.065 0.000 1.324 378 E HN 0.790 nan 8.360 nan 0.000 0.403 395 N N -0.577 118.101 118.700 -0.036 0.000 2.152 395 N HA 0.225 4.966 4.740 0.001 0.000 0.309 395 N C 0.492 175.898 175.510 -0.173 0.000 1.006 395 N CA 0.697 53.711 53.050 -0.061 0.000 0.678 395 N CB 0.183 38.636 38.487 -0.058 0.000 2.012 395 N HN 0.441 nan 8.380 nan 0.000 0.795 396 E N 0.284 120.401 120.200 -0.139 0.000 2.250 396 E HA 0.025 4.375 4.350 0.001 0.000 0.192 396 E C 1.376 177.883 176.600 -0.156 0.000 0.986 396 E CA 0.387 56.690 56.400 -0.162 0.000 0.849 396 E CB 0.381 30.021 29.700 -0.102 0.000 0.797 396 E HN 0.160 nan 8.360 nan 0.000 0.482 397 L N 1.206 122.362 121.223 -0.112 0.000 1.994 397 L HA -0.147 4.194 4.340 0.001 0.000 0.208 397 L C 2.003 178.805 176.870 -0.113 0.000 1.071 397 L CA 1.593 56.381 54.840 -0.086 0.000 0.745 397 L CB -0.400 41.631 42.059 -0.047 0.000 0.892 397 L HN 0.128 nan 8.230 nan 0.000 0.431 398 L N -0.884 120.261 121.223 -0.131 0.000 2.081 398 L HA -0.287 4.054 4.340 0.001 0.000 0.212 398 L C 2.551 179.243 176.870 -0.296 0.000 1.080 398 L CA 1.501 56.255 54.840 -0.143 0.000 0.754 398 L CB -0.532 41.492 42.059 -0.058 0.000 0.893 398 L HN 0.353 nan 8.230 nan 0.000 0.433 399 I N -0.766 119.509 120.570 -0.492 0.000 2.202 399 I HA -0.308 3.863 4.170 0.001 0.000 0.242 399 I C 2.664 178.645 176.117 -0.225 0.000 1.091 399 I CA 1.293 62.286 61.300 -0.512 0.000 1.368 399 I CB -0.421 37.261 38.000 -0.529 0.000 1.058 399 I HN 0.434 nan 8.210 nan 0.000 0.410 400 Q N 1.176 120.877 119.800 -0.165 0.000 2.061 400 Q HA -0.249 4.092 4.340 0.001 0.000 0.204 400 Q C 2.347 178.310 176.000 -0.063 0.000 0.984 400 Q CA 2.263 58.008 55.803 -0.097 0.000 0.846 400 Q CB -0.081 28.610 28.738 -0.080 0.000 0.902 400 Q HN 0.524 nan 8.270 nan 0.000 0.421 401 A N 0.185 122.970 122.820 -0.058 0.000 1.873 401 A HA -0.232 4.089 4.320 0.001 0.000 0.218 401 A C 2.264 179.852 177.584 0.007 0.000 1.193 401 A CA 2.242 54.268 52.037 -0.017 0.000 0.629 401 A CB -1.266 17.729 19.000 -0.009 0.000 0.826 401 A HN 0.528 nan 8.150 nan 0.000 0.447 402 T N 0.203 114.755 114.554 -0.003 0.000 2.699 402 T HA -0.176 4.174 4.350 0.001 0.000 0.268 402 T C 1.896 176.635 174.700 0.064 0.000 1.036 402 T CA 1.782 63.910 62.100 0.047 0.000 1.147 402 T CB -0.259 68.651 68.868 0.069 0.000 0.862 402 T HN 0.563 nan 8.240 nan 0.000 0.446 403 K N 0.670 121.089 120.400 0.032 0.000 2.026 403 K HA 0.005 4.326 4.320 0.001 0.000 0.208 403 K C 2.299 178.944 176.600 0.075 0.000 1.048 403 K CA 1.172 57.487 56.287 0.047 0.000 0.929 403 K CB -0.503 31.996 32.500 -0.002 0.000 0.713 403 K HN 0.343 nan 8.250 nan 0.000 0.439 404 I N 1.148 121.744 120.570 0.043 0.000 2.145 404 I HA -0.331 3.839 4.170 0.001 0.000 0.244 404 I C 2.422 178.595 176.117 0.094 0.000 1.075 404 I CA 1.330 62.665 61.300 0.058 0.000 1.332 404 I CB -0.480 37.536 38.000 0.026 0.000 1.033 404 I HN -0.062 nan 8.210 nan 0.000 0.410 405 V N 0.856 120.832 119.914 0.104 0.000 2.307 405 V HA -0.286 3.835 4.120 0.001 0.000 0.245 405 V C 2.719 178.926 176.094 0.189 0.000 1.045 405 V CA 1.993 64.393 62.300 0.166 0.000 1.024 405 V CB -0.969 30.951 31.823 0.161 0.000 0.651 405 V HN 0.514 nan 8.190 nan 0.000 0.449 406 A N -0.678 122.239 122.820 0.161 0.000 1.908 406 A HA -0.281 4.039 4.320 0.001 0.000 0.218 406 A C 2.145 179.809 177.584 0.133 0.000 1.181 406 A CA 2.306 54.438 52.037 0.159 0.000 0.627 406 A CB -0.750 18.339 19.000 0.148 0.000 0.818 406 A HN 0.554 nan 8.150 nan 0.000 0.445 407 F N 0.183 120.124 119.950 -0.016 0.000 2.163 407 F HA -0.068 4.460 4.527 0.001 0.000 0.297 407 F C 2.212 177.926 175.800 -0.144 0.000 1.094 407 F CA 2.062 60.023 58.000 -0.066 0.000 1.290 407 F CB -0.068 38.893 39.000 -0.066 0.000 1.017 407 F HN 0.162 nan 8.300 nan 0.000 0.483 408 K N -0.100 120.226 120.400 -0.124 0.000 2.044 408 K HA -0.227 4.094 4.320 0.001 0.000 0.210 408 K C 1.165 177.370 176.600 -0.659 0.000 1.049 408 K CA 2.119 58.142 56.287 -0.440 0.000 0.927 408 K CB -0.608 31.560 32.500 -0.554 0.000 0.713 408 K HN 0.452 nan 8.250 nan 0.000 0.443 409 Y N 0.937 121.146 120.300 -0.152 0.000 2.571 409 Y HA 0.233 4.784 4.550 0.001 0.000 0.275 409 Y C -0.357 175.399 175.900 -0.240 0.000 1.179 409 Y CA -0.572 57.429 58.100 -0.165 0.000 1.242 409 Y CB 0.508 38.944 38.460 -0.040 0.000 1.126 409 Y HN -0.140 nan 8.280 nan 0.000 0.524 410 K N 1.477 121.710 120.400 -0.278 0.000 3.540 410 K HA -0.229 4.092 4.320 0.001 0.000 0.274 410 K C -0.044 176.535 176.600 -0.034 0.000 0.890 410 K CA 1.113 57.212 56.287 -0.314 0.000 0.701 410 K CB -1.389 30.611 32.500 -0.833 0.000 1.523 410 K HN 0.457 nan 8.250 nan 0.000 0.450 411 T N -2.019 112.583 114.554 0.079 0.000 2.816 411 T HA 0.463 4.813 4.350 0.001 0.000 0.299 411 T C -0.874 173.944 174.700 0.196 0.000 1.230 411 T CA -0.619 61.589 62.100 0.179 0.000 1.007 411 T CB 1.752 70.734 68.868 0.190 0.000 1.289 411 T HN -0.053 nan 8.240 nan 0.000 0.508 412 V N 2.732 122.783 119.914 0.228 0.000 2.427 412 V HA 0.622 4.743 4.120 0.001 0.000 0.268 412 V C 0.676 176.886 176.094 0.193 0.000 1.046 412 V CA -0.333 62.106 62.300 0.231 0.000 0.970 412 V CB 0.278 32.269 31.823 0.280 0.000 1.001 412 V HN 0.984 nan 8.190 nan 0.000 0.476 413 A N 5.582 128.513 122.820 0.184 0.000 2.304 413 A HA 0.811 5.131 4.320 0.001 0.000 0.323 413 A C -0.645 177.027 177.584 0.145 0.000 1.195 413 A CA -0.503 51.621 52.037 0.146 0.000 0.826 413 A CB 1.345 20.429 19.000 0.140 0.000 1.184 413 A HN 0.623 nan 8.150 nan 0.000 0.496 414 V N 1.514 121.486 119.914 0.097 0.000 2.495 414 V HA 0.433 4.554 4.120 0.001 0.000 0.298 414 V C -0.360 175.782 176.094 0.079 0.000 1.031 414 V CA -0.592 61.762 62.300 0.091 0.000 0.871 414 V CB 1.319 33.165 31.823 0.037 0.000 0.988 414 V HN 1.014 nan 8.190 nan 0.000 0.432 415 C N 5.740 125.123 119.300 0.137 0.000 2.291 415 C HA 0.686 5.147 4.460 0.001 0.000 0.322 415 C C 0.759 175.830 174.990 0.134 0.000 1.205 415 C CA -0.344 58.762 59.018 0.147 0.000 1.495 415 C CB -0.150 27.732 27.740 0.237 0.000 2.127 415 C HN 1.039 nan 8.230 nan 0.000 0.452 416 T N 3.239 117.836 114.554 0.071 0.000 2.897 416 T HA 0.788 5.138 4.350 0.001 0.000 0.294 416 T C 0.454 175.198 174.700 0.074 0.000 1.004 416 T CA 0.409 62.540 62.100 0.051 0.000 1.106 416 T CB 1.563 70.444 68.868 0.022 0.000 0.949 416 T HN 1.495 nan 8.240 nan 0.000 0.520 417 G N 1.625 110.461 108.800 0.060 0.000 2.450 417 G HA2 0.318 4.279 3.960 0.001 0.000 0.273 417 G HA3 0.318 4.279 3.960 0.001 0.000 0.273 417 G C 0.154 175.085 174.900 0.052 0.000 1.221 417 G CA 0.068 45.216 45.100 0.080 0.000 0.900 417 G HN 0.688 nan 8.290 nan 0.000 0.483 418 E N -0.673 119.581 120.200 0.091 0.000 2.035 418 E HA -0.049 4.302 4.350 0.001 0.000 0.204 418 E C 0.194 176.731 176.600 -0.106 0.000 1.025 418 E CA 1.253 57.676 56.400 0.039 0.000 0.835 418 E CB -0.206 29.605 29.700 0.185 0.000 0.764 418 E HN 0.281 nan 8.360 nan 0.000 0.457 419 F N 1.153 121.009 119.950 -0.156 0.000 2.404 419 F HA 0.265 4.793 4.527 0.001 0.000 0.339 419 F C -0.006 175.474 175.800 -0.533 0.000 1.105 419 F CA -1.077 56.693 58.000 -0.382 0.000 1.087 419 F CB 1.084 39.728 39.000 -0.593 0.000 1.143 419 F HN -0.114 nan 8.300 nan 0.000 0.491 420 D N 3.400 123.620 120.400 -0.299 0.000 2.232 420 D HA 0.270 4.911 4.640 0.001 0.000 0.242 420 D C -0.781 175.323 176.300 -0.328 0.000 1.093 420 D CA -0.014 53.851 54.000 -0.225 0.000 0.845 420 D CB 1.262 42.024 40.800 -0.065 0.000 1.124 420 D HN 0.191 nan 8.370 nan 0.000 0.467 421 F N 1.721 121.747 119.950 0.127 0.000 2.436 421 F HA 0.459 4.986 4.527 0.001 0.000 0.340 421 F C 0.301 176.172 175.800 0.118 0.000 1.113 421 F CA -1.007 57.066 58.000 0.122 0.000 1.022 421 F CB 1.201 40.263 39.000 0.102 0.000 1.128 421 F HN 0.046 nan 8.300 nan 0.000 0.466 422 I N 2.965 123.728 120.570 0.322 0.000 2.436 422 I HA 0.660 4.831 4.170 0.001 0.000 0.289 422 I C -0.396 175.948 176.117 0.379 0.000 1.010 422 I CA -0.433 61.048 61.300 0.302 0.000 1.098 422 I CB 1.796 39.936 38.000 0.234 0.000 1.266 422 I HN 0.653 nan 8.210 nan 0.000 0.434 423 A N 3.629 126.637 122.820 0.313 0.000 2.365 423 A HA 0.726 5.047 4.320 0.001 0.000 0.318 423 A C -1.293 176.379 177.584 0.148 0.000 1.091 423 A CA -0.502 51.660 52.037 0.208 0.000 0.763 423 A CB 1.276 20.359 19.000 0.140 0.000 1.248 423 A HN 0.602 nan 8.150 nan 0.000 0.442 424 D N 1.975 122.322 120.400 -0.087 0.000 2.460 424 D HA 0.450 5.091 4.640 0.001 0.000 0.232 424 D C 0.769 177.050 176.300 -0.032 0.000 1.079 424 D CA 0.205 54.109 54.000 -0.160 0.000 0.864 424 D CB 1.040 41.416 40.800 -0.706 0.000 1.048 424 D HN 0.537 nan 8.370 nan 0.000 0.523 425 G N 1.954 110.803 108.800 0.080 0.000 3.337 425 G HA2 -0.062 3.898 3.960 0.001 0.000 0.246 425 G HA3 -0.062 3.898 3.960 0.001 0.000 0.246 425 G C 1.315 176.280 174.900 0.108 0.000 1.131 425 G CA 0.439 45.617 45.100 0.129 0.000 0.773 425 G HN 0.522 nan 8.290 nan 0.000 0.544 426 T N -0.603 114.043 114.554 0.154 0.000 2.915 426 T HA -0.022 4.329 4.350 0.001 0.000 0.269 426 T C 1.571 176.442 174.700 0.285 0.000 1.071 426 T CA 0.522 62.791 62.100 0.282 0.000 1.132 426 T CB -0.357 68.709 68.868 0.331 0.000 0.878 426 T HN 0.619 nan 8.240 nan 0.000 0.479 427 I N 1.850 122.527 120.570 0.177 0.000 6.697 427 I HA -0.280 3.891 4.170 0.001 0.000 0.126 427 I C 0.325 176.538 176.117 0.160 0.000 1.764 427 I CA 0.895 62.296 61.300 0.168 0.000 2.245 427 I CB -2.331 35.797 38.000 0.213 0.000 3.404 427 I HN 0.537 nan 8.210 nan 0.000 0.228 428 E N -0.774 119.493 120.200 0.112 0.000 2.883 428 E HA -0.293 4.058 4.350 0.001 0.000 0.271 428 E C 1.134 177.767 176.600 0.055 0.000 1.049 428 E CA 0.838 57.273 56.400 0.059 0.000 0.817 428 E CB -1.634 28.087 29.700 0.035 0.000 1.407 428 E HN 1.261 nan 8.360 nan 0.000 0.434 429 G N 0.557 109.440 108.800 0.138 0.000 2.246 429 G HA2 -0.330 3.631 3.960 0.001 0.000 0.273 429 G HA3 -0.330 3.631 3.960 0.001 0.000 0.273 429 G C -0.057 174.852 174.900 0.014 0.000 1.055 429 G CA 0.643 45.745 45.100 0.003 0.000 0.851 429 G HN 0.062 nan 8.290 nan 0.000 0.500 430 K N -0.168 120.347 120.400 0.192 0.000 2.183 430 K HA 0.595 4.915 4.320 0.001 0.000 0.274 430 K C 0.003 176.790 176.600 0.311 0.000 1.009 430 K CA -0.554 55.817 56.287 0.140 0.000 0.888 430 K CB 1.415 33.979 32.500 0.107 0.000 1.078 430 K HN 0.613 nan 8.250 nan 0.000 0.459 431 Y N -1.677 118.712 120.300 0.148 0.000 2.581 431 Y HA 0.671 5.222 4.550 0.001 0.000 0.345 431 Y C -0.457 175.498 175.900 0.091 0.000 1.036 431 Y CA -1.073 57.121 58.100 0.156 0.000 1.042 431 Y CB 1.637 40.210 38.460 0.188 0.000 1.289 431 Y HN 0.550 nan 8.280 nan 0.000 0.471 432 S N 1.559 117.419 115.700 0.268 0.000 2.615 432 S HA 0.670 5.140 4.470 0.001 0.000 0.269 432 S C -1.727 172.977 174.600 0.174 0.000 1.161 432 S CA -1.179 57.116 58.200 0.159 0.000 0.817 432 S CB 1.170 64.417 63.200 0.079 0.000 1.131 432 S HN 0.884 nan 8.310 nan 0.000 0.467 433 L N 2.476 123.777 121.223 0.129 0.000 2.371 433 L HA 0.404 4.744 4.340 0.001 0.000 0.272 433 L C 1.153 178.074 176.870 0.084 0.000 1.124 433 L CA 0.120 55.024 54.840 0.106 0.000 0.816 433 L CB 0.968 43.086 42.059 0.099 0.000 1.129 433 L HN 1.188 nan 8.230 nan 0.000 0.448 434 S N -0.278 115.465 115.700 0.072 0.000 2.194 434 S HA -0.396 4.074 4.470 0.001 0.000 0.225 434 S C 1.774 176.408 174.600 0.056 0.000 1.176 434 S CA 1.825 60.060 58.200 0.058 0.000 1.694 434 S CB -1.413 61.827 63.200 0.066 0.000 2.249 434 S HN 0.828 nan 8.310 nan 0.000 0.601 435 K N 1.260 121.699 120.400 0.065 0.000 2.009 435 K HA 0.192 4.512 4.320 0.001 0.000 0.210 435 K C 2.551 179.187 176.600 0.059 0.000 1.049 435 K CA 2.269 58.592 56.287 0.060 0.000 0.929 435 K CB -1.615 30.923 32.500 0.063 0.000 0.714 435 K HN 1.115 nan 8.250 nan 0.000 0.440 436 G N -0.054 108.789 108.800 0.072 0.000 2.719 436 G HA2 0.225 4.186 3.960 0.001 0.000 0.211 436 G HA3 0.225 4.186 3.960 0.001 0.000 0.211 436 G C 1.013 175.978 174.900 0.108 0.000 1.140 436 G CA 1.228 46.384 45.100 0.092 0.000 0.790 436 G HN 0.780 nan 8.290 nan 0.000 0.529 441 S N 1.526 117.091 115.700 -0.225 0.000 2.686 441 S HA 0.573 5.043 4.470 0.001 0.000 0.270 441 S C 1.681 175.857 174.600 -0.707 0.000 1.194 441 S CA -0.578 57.347 58.200 -0.459 0.000 0.990 441 S CB 0.799 63.834 63.200 -0.274 0.000 1.029 441 S HN 0.316 nan 8.310 nan 0.000 0.560 442 V N 1.763 121.169 119.914 -0.847 0.000 2.380 442 V HA -0.163 3.958 4.120 0.001 0.000 0.251 442 V C 2.621 178.541 176.094 -0.291 0.000 1.063 442 V CA 2.314 64.253 62.300 -0.602 0.000 1.055 442 V CB -1.038 30.579 31.823 -0.343 0.000 0.657 442 V HN 0.837 nan 8.190 nan 0.000 0.455 443 E N 0.806 120.866 120.200 -0.232 0.000 2.208 443 E HA -0.157 4.194 4.350 0.001 0.000 0.193 443 E C 1.149 177.688 176.600 -0.102 0.000 0.988 443 E CA 1.421 57.739 56.400 -0.136 0.000 0.828 443 E CB -0.285 29.348 29.700 -0.112 0.000 0.763 443 E HN 0.932 nan 8.360 nan 0.000 0.478 444 D N 0.298 120.630 120.400 -0.113 0.000 2.538 444 D HA 0.113 4.753 4.640 0.001 0.000 0.231 444 D C 0.916 177.188 176.300 -0.047 0.000 1.229 444 D CA -0.374 53.586 54.000 -0.067 0.000 0.828 444 D CB -0.641 40.124 40.800 -0.059 0.000 1.035 444 D HN 0.187 nan 8.370 nan 0.000 0.495 445 I N -2.447 118.094 120.570 -0.048 0.000 2.764 445 I HA 0.456 4.627 4.170 0.001 0.000 0.294 445 I C -2.129 173.973 176.117 -0.026 0.000 1.045 445 I CA -2.240 59.047 61.300 -0.023 0.000 1.340 445 I CB 0.351 38.361 38.000 0.017 0.000 1.436 445 I HN -0.298 nan 8.210 nan 0.000 0.567 446 P HA 0.041 nan 4.420 nan 0.000 0.267 446 P C -0.904 176.393 177.300 -0.005 0.000 1.205 446 P CA -0.162 62.906 63.100 -0.054 0.000 0.765 446 P CB 0.656 32.221 31.700 -0.225 0.000 0.828 447 C N 4.814 124.187 119.300 0.122 0.000 2.607 447 C HA 0.563 5.023 4.460 0.001 0.000 0.350 447 C C -0.168 174.976 174.990 0.257 0.000 1.101 447 C CA -0.341 58.794 59.018 0.195 0.000 1.282 447 C CB 0.479 28.297 27.740 0.131 0.000 1.825 447 C HN 0.566 nan 8.230 nan 0.000 0.460 448 V N 3.632 123.733 119.914 0.312 0.000 3.177 448 V HA 1.060 5.181 4.120 0.001 0.000 0.319 448 V C 0.029 176.292 176.094 0.281 0.000 1.125 448 V CA -0.068 62.373 62.300 0.235 0.000 1.029 448 V CB 1.535 33.448 31.823 0.150 0.000 1.119 448 V HN 1.532 nan 8.190 nan 0.000 0.452 449 A N 0.848 123.795 122.820 0.213 0.000 2.469 449 A HA 0.927 5.248 4.320 0.001 0.000 0.299 449 A C -1.105 176.520 177.584 0.068 0.000 1.098 449 A CA -0.698 51.439 52.037 0.167 0.000 0.737 449 A CB 2.117 21.290 19.000 0.289 0.000 1.312 449 A HN 1.504 nan 8.150 nan 0.000 0.414 450 V N 1.725 121.627 119.914 -0.020 0.000 2.569 450 V HA 0.590 4.711 4.120 0.001 0.000 0.301 450 V C -0.727 175.287 176.094 -0.134 0.000 1.044 450 V CA -0.368 61.909 62.300 -0.040 0.000 0.874 450 V CB 1.493 33.298 31.823 -0.030 0.000 1.002 450 V HN 1.165 nan 8.190 nan 0.000 0.424 468 L N 3.277 124.022 121.223 -0.796 0.000 2.141 468 L HA 0.230 4.570 4.340 0.001 0.000 0.209 468 L C 2.025 178.664 176.870 -0.384 0.000 1.094 468 L CA 2.540 56.848 54.840 -0.887 0.000 0.763 468 L CB -1.094 40.423 42.059 -0.903 0.000 0.908 468 L HN 0.385 nan 8.230 nan 0.000 0.437 469 G N -1.178 107.452 108.800 -0.284 0.000 2.446 469 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 469 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 469 G C 1.513 176.319 174.900 -0.157 0.000 1.168 469 G CA 0.984 45.965 45.100 -0.198 0.000 0.771 469 G HN 0.516 nan 8.290 nan 0.000 0.551 470 S N 0.271 115.898 115.700 -0.121 0.000 2.383 470 S HA -0.094 4.377 4.470 0.001 0.000 0.227 470 S C 2.454 177.020 174.600 -0.057 0.000 1.026 470 S CA 1.601 59.769 58.200 -0.054 0.000 0.981 470 S CB -0.473 62.768 63.200 0.068 0.000 0.818 470 S HN 0.430 nan 8.310 nan 0.000 0.472 471 T N 3.120 117.625 114.554 -0.081 0.000 2.643 471 T HA 0.008 4.358 4.350 0.001 0.000 0.264 471 T C 1.771 176.448 174.700 -0.038 0.000 1.045 471 T CA 1.260 63.335 62.100 -0.041 0.000 1.155 471 T CB -0.524 68.332 68.868 -0.020 0.000 0.863 471 T HN 0.302 nan 8.240 nan 0.000 0.420 472 I N 1.449 121.979 120.570 -0.067 0.000 2.194 472 I HA -0.253 3.918 4.170 0.001 0.000 0.246 472 I C 2.889 178.988 176.117 -0.031 0.000 1.093 472 I CA 1.249 62.523 61.300 -0.043 0.000 1.355 472 I CB -0.516 37.448 38.000 -0.060 0.000 1.046 472 I HN 0.215 nan 8.210 nan 0.000 0.413 473 A N -0.303 122.484 122.820 -0.056 0.000 1.972 473 A HA -0.218 4.102 4.320 0.001 0.000 0.219 473 A C 2.394 179.967 177.584 -0.019 0.000 1.169 473 A CA 1.784 53.789 52.037 -0.054 0.000 0.635 473 A CB -1.042 17.886 19.000 -0.120 0.000 0.810 473 A HN 0.559 nan 8.150 nan 0.000 0.446 474 C N -0.981 118.313 119.300 -0.010 0.000 2.467 474 C HA 0.000 4.461 4.460 0.001 0.000 0.279 474 C C 2.833 177.832 174.990 0.015 0.000 1.347 474 C CA 0.934 59.958 59.018 0.010 0.000 1.748 474 C CB -0.860 26.888 27.740 0.014 0.000 1.977 474 C HN 0.565 nan 8.230 nan 0.000 0.501 475 M N 0.744 120.353 119.600 0.016 0.000 2.099 475 M HA -0.008 4.473 4.480 0.001 0.000 0.262 475 M C 1.999 178.319 176.300 0.033 0.000 1.067 475 M CA 1.691 57.006 55.300 0.025 0.000 1.124 475 M CB -1.248 31.370 32.600 0.030 0.000 1.353 475 M HN 0.333 nan 8.290 nan 0.000 0.410 476 I N -0.156 120.436 120.570 0.037 0.000 2.315 476 I HA -0.166 4.005 4.170 0.001 0.000 0.248 476 I C 2.548 178.706 176.117 0.068 0.000 1.117 476 I CA 1.236 62.568 61.300 0.053 0.000 1.404 476 I CB -1.074 36.959 38.000 0.056 0.000 1.071 476 I HN 0.326 nan 8.210 nan 0.000 0.419 477 G N 0.738 109.575 108.800 0.061 0.000 2.442 477 G HA2 -0.191 3.769 3.960 0.001 0.000 0.219 477 G HA3 -0.191 3.769 3.960 0.001 0.000 0.219 477 G C 1.671 176.635 174.900 0.106 0.000 1.141 477 G CA 0.849 46.005 45.100 0.093 0.000 0.763 477 G HN 0.509 nan 8.290 nan 0.000 0.554 478 G N -0.675 108.141 108.800 0.027 0.000 2.572 478 G HA2 0.082 4.043 3.960 0.001 0.000 0.216 478 G HA3 0.082 4.043 3.960 0.001 0.000 0.216 478 G C 0.848 175.733 174.900 -0.025 0.000 1.133 478 G CA -0.106 44.952 45.100 -0.070 0.000 0.791 478 G HN 0.298 nan 8.290 nan 0.000 0.538 479 Q N 1.117 120.955 119.800 0.063 0.000 2.337 479 Q HA 0.243 4.584 4.340 0.001 0.000 0.270 479 Q C -2.184 173.897 176.000 0.135 0.000 1.002 479 Q CA -1.390 54.459 55.803 0.077 0.000 0.888 479 Q CB 1.167 29.946 28.738 0.068 0.000 1.222 479 Q HN 0.194 nan 8.270 nan 0.000 0.400 480 P HA 0.168 nan 4.420 nan 0.000 0.281 480 P C 0.539 177.877 177.300 0.063 0.000 1.281 480 P CA -0.467 62.707 63.100 0.123 0.000 0.811 480 P CB 0.671 32.425 31.700 0.090 0.000 1.154 481 S N -0.308 115.414 115.700 0.038 0.000 2.423 481 S HA -0.205 4.266 4.470 0.001 0.000 0.238 481 S C 0.958 175.561 174.600 0.005 0.000 1.028 481 S CA 1.712 59.916 58.200 0.006 0.000 1.000 481 S CB -0.739 62.458 63.200 -0.005 0.000 0.797 481 S HN 0.464 nan 8.310 nan 0.000 0.487 482 E N 0.607 120.819 120.200 0.019 0.000 2.479 482 E HA 0.284 4.635 4.350 0.001 0.000 0.193 482 E C 1.111 177.729 176.600 0.030 0.000 1.049 482 E CA 0.258 56.670 56.400 0.019 0.000 0.870 482 E CB -0.200 29.512 29.700 0.021 0.000 0.944 482 E HN 0.459 nan 8.360 nan 0.000 0.492 483 G N 1.036 109.857 108.800 0.036 0.000 2.479 483 G HA2 0.104 4.064 3.960 0.001 0.000 0.275 483 G HA3 0.104 4.064 3.960 0.001 0.000 0.275 483 G C -0.396 174.537 174.900 0.055 0.000 1.421 483 G CA -0.423 44.707 45.100 0.051 0.000 1.059 483 G HN 0.250 nan 8.290 nan 0.000 0.535 484 N N -1.900 116.844 118.700 0.074 0.000 2.542 484 N HA 0.206 4.947 4.740 0.001 0.000 0.288 484 N C 0.621 176.174 175.510 0.071 0.000 1.115 484 N CA -0.644 52.443 53.050 0.062 0.000 0.924 484 N CB 1.593 40.125 38.487 0.075 0.000 1.526 484 N HN 0.288 nan 8.380 nan 0.000 0.515 485 L N 4.072 125.331 121.223 0.060 0.000 1.990 485 L HA 0.021 4.362 4.340 0.001 0.000 0.213 485 L C 1.563 178.522 176.870 0.148 0.000 1.072 485 L CA 1.933 56.828 54.840 0.092 0.000 0.755 485 L CB -0.856 41.254 42.059 0.085 0.000 0.889 485 L HN 0.760 nan 8.230 nan 0.000 0.432 486 F N -0.155 119.779 119.950 -0.027 0.000 2.069 486 F HA -0.255 4.272 4.527 0.001 0.000 0.298 486 F C 2.656 178.465 175.800 0.016 0.000 1.113 486 F CA 2.081 60.062 58.000 -0.031 0.000 1.214 486 F CB -0.711 38.225 39.000 -0.106 0.000 0.978 486 F HN 0.288 nan 8.300 nan 0.000 0.474 487 H N -0.092 118.954 119.070 -0.040 0.000 2.387 487 H HA -0.057 4.499 4.556 0.001 0.000 0.299 487 H C 2.350 177.604 175.328 -0.123 0.000 1.099 487 H CA 1.253 57.208 56.048 -0.155 0.000 1.315 487 H CB -1.063 28.678 29.762 -0.034 0.000 1.380 487 H HN 0.376 nan 8.280 nan 0.000 0.513 488 A N 0.496 123.360 122.820 0.074 0.000 1.898 488 A HA -0.101 4.219 4.320 0.001 0.000 0.216 488 A C 2.846 180.438 177.584 0.014 0.000 1.181 488 A CA 1.595 53.661 52.037 0.049 0.000 0.620 488 A CB -0.787 18.248 19.000 0.059 0.000 0.819 488 A HN 0.223 nan 8.150 nan 0.000 0.442 489 V N -0.225 119.686 119.914 -0.005 0.000 2.295 489 V HA -0.236 3.885 4.120 0.001 0.000 0.246 489 V C 2.580 178.640 176.094 -0.057 0.000 1.049 489 V CA 1.998 64.291 62.300 -0.012 0.000 1.024 489 V CB -0.920 30.922 31.823 0.031 0.000 0.648 489 V HN 0.370 nan 8.190 nan 0.000 0.447 490 V N 0.506 120.321 119.914 -0.165 0.000 2.287 490 V HA -0.293 3.828 4.120 0.001 0.000 0.248 490 V C 2.776 178.848 176.094 -0.037 0.000 1.053 490 V CA 2.061 64.269 62.300 -0.154 0.000 1.027 490 V CB -1.374 30.274 31.823 -0.292 0.000 0.646 490 V HN 0.556 nan 8.190 nan 0.000 0.447 491 A N 0.747 123.560 122.820 -0.011 0.000 1.903 491 A HA -0.218 4.103 4.320 0.001 0.000 0.219 491 A C 2.456 180.099 177.584 0.099 0.000 1.191 491 A CA 2.436 54.511 52.037 0.064 0.000 0.638 491 A CB -1.465 17.569 19.000 0.056 0.000 0.823 491 A HN 0.557 nan 8.150 nan 0.000 0.451 492 G N -0.792 108.039 108.800 0.052 0.000 2.446 492 G HA2 -0.150 3.811 3.960 0.001 0.000 0.217 492 G HA3 -0.150 3.811 3.960 0.001 0.000 0.217 492 G C 1.528 176.460 174.900 0.054 0.000 1.168 492 G CA 1.378 46.504 45.100 0.044 0.000 0.771 492 G HN 0.379 nan 8.290 nan 0.000 0.551 493 V N 1.258 121.194 119.914 0.037 0.000 2.343 493 V HA -0.196 3.924 4.120 0.001 0.000 0.247 493 V C 2.978 179.123 176.094 0.084 0.000 1.051 493 V CA 1.801 64.132 62.300 0.052 0.000 1.036 493 V CB -0.385 31.451 31.823 0.022 0.000 0.654 493 V HN 0.303 nan 8.190 nan 0.000 0.451 494 M N -0.896 118.758 119.600 0.090 0.000 2.065 494 M HA -0.193 4.288 4.480 0.001 0.000 0.259 494 M C 2.316 178.657 176.300 0.067 0.000 1.071 494 M CA 1.915 57.297 55.300 0.137 0.000 1.109 494 M CB -1.053 31.696 32.600 0.247 0.000 1.313 494 M HN 0.304 nan 8.290 nan 0.000 0.408 495 L N -0.847 120.400 121.223 0.040 0.000 1.997 495 L HA -0.319 4.022 4.340 0.001 0.000 0.216 495 L C 2.664 179.394 176.870 -0.234 0.000 1.074 495 L CA 2.088 56.749 54.840 -0.299 0.000 0.763 495 L CB -0.697 41.291 42.059 -0.118 0.000 0.890 495 L HN 0.213 nan 8.230 nan 0.000 0.434 496 Y N 0.797 120.999 120.300 -0.163 0.000 2.097 496 Y HA -0.371 4.179 4.550 0.001 0.000 0.282 496 Y C 2.708 178.538 175.900 -0.117 0.000 1.152 496 Y CA 2.394 60.418 58.100 -0.127 0.000 1.136 496 Y CB -0.254 38.164 38.460 -0.071 0.000 0.975 496 Y HN 0.067 nan 8.280 nan 0.000 0.498 497 K N 0.278 120.679 120.400 0.001 0.000 2.074 497 K HA -0.195 4.126 4.320 0.001 0.000 0.209 497 K C 2.203 178.704 176.600 -0.164 0.000 1.048 497 K CA 1.480 57.725 56.287 -0.069 0.000 0.926 497 K CB -0.777 31.722 32.500 -0.001 0.000 0.713 497 K HN 0.431 nan 8.250 nan 0.000 0.444 498 A N 0.374 123.069 122.820 -0.209 0.000 1.858 498 A HA -0.117 4.204 4.320 0.001 0.000 0.216 498 A C 2.357 179.742 177.584 -0.332 0.000 1.190 498 A CA 2.179 54.045 52.037 -0.284 0.000 0.617 498 A CB -1.181 17.503 19.000 -0.526 0.000 0.827 498 A HN 0.390 nan 8.150 nan 0.000 0.443 499 A N -0.591 121.984 122.820 -0.409 0.000 1.978 499 A HA 0.102 4.422 4.320 0.001 0.000 0.220 499 A C 2.352 179.729 177.584 -0.345 0.000 1.170 499 A CA 1.965 53.777 52.037 -0.375 0.000 0.636 499 A CB -1.325 17.446 19.000 -0.383 0.000 0.810 499 A HN 0.745 nan 8.150 nan 0.000 0.448 500 G N -0.591 108.000 108.800 -0.348 0.000 2.433 500 G HA2 -0.097 3.864 3.960 0.001 0.000 0.216 500 G HA3 -0.097 3.864 3.960 0.001 0.000 0.216 500 G C 1.799 176.661 174.900 -0.063 0.000 1.186 500 G CA 2.206 47.184 45.100 -0.203 0.000 0.779 500 G HN 0.791 nan 8.290 nan 0.000 0.543 501 K N 0.981 121.330 120.400 -0.085 0.000 2.009 501 K HA 0.068 4.388 4.320 0.001 0.000 0.210 501 K C 2.394 178.964 176.600 -0.049 0.000 1.049 501 K CA 1.446 57.706 56.287 -0.044 0.000 0.929 501 K CB -0.854 31.613 32.500 -0.054 0.000 0.714 501 K HN 0.410 nan 8.250 nan 0.000 0.440 502 I N 0.666 121.176 120.570 -0.099 0.000 2.151 502 I HA -0.299 3.872 4.170 0.001 0.000 0.243 502 I C 3.012 179.069 176.117 -0.100 0.000 1.080 502 I CA 1.441 62.681 61.300 -0.099 0.000 1.339 502 I CB -0.410 37.509 38.000 -0.134 0.000 1.039 502 I HN 0.458 nan 8.210 nan 0.000 0.409 503 A N 0.800 123.520 122.820 -0.166 0.000 1.873 503 A HA -0.211 4.110 4.320 0.001 0.000 0.215 503 A C 2.496 180.067 177.584 -0.022 0.000 1.186 503 A CA 2.017 53.909 52.037 -0.242 0.000 0.616 503 A CB -0.917 17.688 19.000 -0.658 0.000 0.823 503 A HN 0.527 nan 8.150 nan 0.000 0.442 504 S N 0.043 115.851 115.700 0.180 0.000 2.419 504 S HA -0.230 4.241 4.470 0.001 0.000 0.235 504 S C 1.560 176.227 174.600 0.111 0.000 1.019 504 S CA 1.711 60.079 58.200 0.280 0.000 0.982 504 S CB -0.422 62.906 63.200 0.213 0.000 0.789 504 S HN 0.680 nan 8.310 nan 0.000 0.490 505 E N 1.211 121.439 120.200 0.047 0.000 2.086 505 E HA 0.063 4.414 4.350 0.001 0.000 0.190 505 E C 1.821 178.428 176.600 0.012 0.000 0.975 505 E CA 0.789 57.201 56.400 0.019 0.000 0.813 505 E CB -0.008 29.692 29.700 0.001 0.000 0.768 505 E HN 0.581 nan 8.360 nan 0.000 0.457 506 K N 0.479 120.877 120.400 -0.003 0.000 2.505 506 K HA 0.067 4.388 4.320 0.001 0.000 0.192 506 K C 0.468 177.066 176.600 -0.003 0.000 1.025 506 K CA -0.011 56.269 56.287 -0.013 0.000 1.086 506 K CB -0.072 32.407 32.500 -0.035 0.000 0.840 506 K HN 0.210 nan 8.250 nan 0.000 0.514 507 C N -1.028 118.288 119.300 0.026 0.000 2.505 507 C HA 0.450 4.911 4.460 0.001 0.000 0.358 507 C C 0.662 175.676 174.990 0.039 0.000 1.226 507 C CA -1.041 58.001 59.018 0.041 0.000 1.900 507 C CB 1.030 28.834 27.740 0.107 0.000 2.306 507 C HN 0.248 nan 8.230 nan 0.000 0.512 508 N N 0.374 119.094 118.700 0.033 0.000 2.200 508 N HA 0.429 5.170 4.740 0.001 0.000 0.224 508 N C 0.424 175.945 175.510 0.017 0.000 1.179 508 N CA 0.862 53.923 53.050 0.018 0.000 0.877 508 N CB 1.269 39.760 38.487 0.007 0.000 1.072 508 N HN 1.196 nan 8.380 nan 0.000 0.519 509 G N -0.260 108.560 108.800 0.034 0.000 2.356 509 G HA2 -0.045 3.916 3.960 0.001 0.000 0.288 509 G HA3 -0.045 3.916 3.960 0.001 0.000 0.288 509 G C 0.145 175.069 174.900 0.040 0.000 1.302 509 G CA -0.268 44.842 45.100 0.017 0.000 0.887 509 G HN -0.058 nan 8.290 nan 0.000 0.521 510 S N -0.202 115.497 115.700 -0.002 0.000 2.370 510 S HA -0.074 4.397 4.470 0.001 0.000 0.226 510 S C 2.566 177.191 174.600 0.042 0.000 1.033 510 S CA 2.530 60.727 58.200 -0.005 0.000 1.011 510 S CB -0.804 62.367 63.200 -0.049 0.000 0.852 510 S HN 1.505 nan 8.310 nan 0.000 0.457 511 G N 2.212 111.016 108.800 0.007 0.000 2.587 511 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 511 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 511 G C 1.711 176.613 174.900 0.003 0.000 1.240 511 G CA 1.642 46.734 45.100 -0.013 0.000 0.794 511 G HN 0.675 nan 8.290 nan 0.000 0.580 512 S N 0.307 116.019 115.700 0.019 0.000 2.419 512 S HA -0.093 4.378 4.470 0.001 0.000 0.233 512 S C 2.091 176.705 174.600 0.022 0.000 1.016 512 S CA 1.332 59.537 58.200 0.008 0.000 0.974 512 S CB -0.524 62.680 63.200 0.006 0.000 0.786 512 S HN 0.370 nan 8.310 nan 0.000 0.492 513 F N 2.336 122.253 119.950 -0.055 0.000 2.120 513 F HA -0.163 4.365 4.527 0.001 0.000 0.300 513 F C 2.683 178.458 175.800 -0.041 0.000 1.095 513 F CA 2.018 59.989 58.000 -0.048 0.000 1.249 513 F CB -0.535 38.435 39.000 -0.049 0.000 0.995 513 F HN 0.239 nan 8.300 nan 0.000 0.480 514 Q N -0.214 119.621 119.800 0.058 0.000 2.020 514 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 514 Q C 2.436 178.392 176.000 -0.073 0.000 0.982 514 Q CA 2.387 58.149 55.803 -0.069 0.000 0.838 514 Q CB -0.468 28.111 28.738 -0.265 0.000 0.899 514 Q HN 0.476 nan 8.270 nan 0.000 0.423 515 V N 0.050 119.919 119.914 -0.075 0.000 2.453 515 V HA -0.160 3.961 4.120 0.001 0.000 0.247 515 V C 1.739 177.782 176.094 -0.086 0.000 1.048 515 V CA 1.783 64.056 62.300 -0.045 0.000 1.049 515 V CB -0.304 31.494 31.823 -0.043 0.000 0.672 515 V HN 0.334 nan 8.190 nan 0.000 0.457 516 E N 0.226 120.337 120.200 -0.147 0.000 2.204 516 E HA -0.154 4.196 4.350 0.001 0.000 0.195 516 E C 2.066 178.514 176.600 -0.254 0.000 0.990 516 E CA 1.598 57.889 56.400 -0.181 0.000 0.821 516 E CB -0.296 29.292 29.700 -0.186 0.000 0.750 516 E HN 0.703 nan 8.360 nan 0.000 0.477 517 L N 0.311 121.314 121.223 -0.366 0.000 2.027 517 L HA -0.129 4.212 4.340 0.001 0.000 0.206 517 L C 2.321 179.096 176.870 -0.160 0.000 1.074 517 L CA 0.869 55.489 54.840 -0.366 0.000 0.745 517 L CB -0.149 41.648 42.059 -0.438 0.000 0.898 517 L HN 0.062 nan 8.230 nan 0.000 0.433 518 I N 0.119 120.664 120.570 -0.041 0.000 2.163 518 I HA -0.356 3.815 4.170 0.001 0.000 0.243 518 I C 2.103 178.216 176.117 -0.008 0.000 1.085 518 I CA 1.482 62.784 61.300 0.003 0.000 1.347 518 I CB -0.463 37.576 38.000 0.065 0.000 1.044 518 I HN 0.322 nan 8.210 nan 0.000 0.408 519 D N 0.850 121.230 120.400 -0.034 0.000 2.104 519 D HA -0.180 4.460 4.640 0.001 0.000 0.194 519 D C 2.265 178.572 176.300 0.011 0.000 0.994 519 D CA 1.718 55.713 54.000 -0.008 0.000 0.830 519 D CB -0.240 40.535 40.800 -0.041 0.000 0.959 519 D HN 0.366 nan 8.370 nan 0.000 0.452 520 A N 0.536 123.311 122.820 -0.075 0.000 1.902 520 A HA -0.140 4.180 4.320 0.001 0.000 0.217 520 A C 2.443 179.953 177.584 -0.124 0.000 1.181 520 A CA 0.952 52.919 52.037 -0.116 0.000 0.623 520 A CB -0.811 18.072 19.000 -0.195 0.000 0.818 520 A HN 0.237 nan 8.150 nan 0.000 0.443 521 L N -2.195 118.963 121.223 -0.109 0.000 2.042 521 L HA -0.221 4.120 4.340 0.001 0.000 0.210 521 L C 2.592 179.445 176.870 -0.028 0.000 1.076 521 L CA 1.955 56.737 54.840 -0.096 0.000 0.749 521 L CB -0.546 41.481 42.059 -0.053 0.000 0.893 521 L HN 0.638 nan 8.230 nan 0.000 0.432 522 Y N 0.628 120.882 120.300 -0.077 0.000 2.133 522 Y HA -0.210 4.341 4.550 0.001 0.000 0.287 522 Y C 2.792 178.670 175.900 -0.036 0.000 1.134 522 Y CA 1.444 59.517 58.100 -0.046 0.000 1.133 522 Y CB -0.095 38.343 38.460 -0.037 0.000 0.987 522 Y HN -0.053 nan 8.280 nan 0.000 0.502 523 R N -0.570 119.955 120.500 0.041 0.000 2.073 523 R HA -0.168 4.173 4.340 0.001 0.000 0.234 523 R C 2.075 178.326 176.300 -0.082 0.000 1.134 523 R CA 1.508 57.588 56.100 -0.032 0.000 0.952 523 R CB -0.701 29.621 30.300 0.037 0.000 0.850 523 R HN 0.293 nan 8.270 nan 0.000 0.433 524 L N 0.684 121.854 121.223 -0.088 0.000 2.081 524 L HA -0.193 4.147 4.340 0.001 0.000 0.212 524 L C 2.538 179.435 176.870 0.045 0.000 1.080 524 L CA 2.248 57.050 54.840 -0.063 0.000 0.754 524 L CB -0.994 40.874 42.059 -0.318 0.000 0.893 524 L HN 0.394 nan 8.230 nan 0.000 0.433 525 T N -5.410 109.115 114.554 -0.049 0.000 3.054 525 T HA -0.047 4.304 4.350 0.001 0.000 0.259 525 T C 1.992 176.639 174.700 -0.088 0.000 1.092 525 T CA 0.109 62.198 62.100 -0.017 0.000 1.121 525 T CB -0.059 68.779 68.868 -0.050 0.000 0.912 525 T HN -0.021 nan 8.240 nan 0.000 0.489 526 R N 2.478 122.855 120.500 -0.205 0.000 2.235 526 R HA 0.142 4.483 4.340 0.001 0.000 0.213 526 R C 0.620 176.866 176.300 -0.091 0.000 1.059 526 R CA 0.573 56.545 56.100 -0.213 0.000 0.997 526 R CB -0.286 29.789 30.300 -0.376 0.000 0.884 526 R HN 0.852 nan 8.270 nan 0.000 0.462 527 E N -0.256 119.923 120.200 -0.035 0.000 2.331 527 E HA 0.258 4.609 4.350 0.001 0.000 0.243 527 E C -1.103 175.530 176.600 0.056 0.000 0.925 527 E CA -0.658 55.747 56.400 0.008 0.000 0.760 527 E CB 0.501 30.213 29.700 0.020 0.000 1.254 527 E HN -0.203 nan 8.360 nan 0.000 0.419 528 N N 2.590 121.303 118.700 0.022 0.000 2.454 528 N HA 0.024 4.765 4.740 0.001 0.000 0.285 528 N C -0.684 174.786 175.510 -0.066 0.000 1.233 528 N CA 0.310 53.365 53.050 0.007 0.000 1.036 528 N CB 0.666 39.133 38.487 -0.032 0.000 1.423 528 N HN 0.630 nan 8.380 nan 0.000 0.495 529 T N -1.554 112.951 114.554 -0.081 0.000 3.732 529 T HA 0.309 4.660 4.350 0.001 0.000 0.234 529 T C -2.125 172.303 174.700 -0.453 0.000 1.146 529 T CA -1.513 60.480 62.100 -0.177 0.000 1.454 529 T CB 1.168 70.002 68.868 -0.056 0.000 0.910 529 T HN 0.000 nan 8.240 nan 0.000 0.640 530 P HA -0.014 nan 4.420 nan 0.000 0.218 530 P C 2.103 178.957 177.300 -0.744 0.000 1.146 530 P CA 1.085 63.274 63.100 -1.520 0.000 0.813 530 P CB -0.181 30.796 31.700 -1.205 0.000 0.778 531 V N -0.791 118.879 119.914 -0.408 0.000 2.453 531 V HA -0.329 3.791 4.120 0.001 0.000 0.252 531 V C 2.352 178.366 176.094 -0.134 0.000 1.068 531 V CA 3.007 65.179 62.300 -0.213 0.000 1.070 531 V CB -1.865 29.872 31.823 -0.144 0.000 0.664 531 V HN 0.131 nan 8.190 nan 0.000 0.461 532 T N -0.876 113.604 114.554 -0.123 0.000 2.821 532 T HA -0.052 4.299 4.350 0.001 0.000 0.267 532 T C 0.522 175.324 174.700 0.169 0.000 1.046 532 T CA 0.683 62.805 62.100 0.036 0.000 1.139 532 T CB -0.309 68.629 68.868 0.116 0.000 0.871 532 T HN 0.714 nan 8.240 nan 0.000 0.454 533 W N 1.256 122.536 121.300 -0.033 0.000 2.223 533 W HA 0.510 5.171 4.660 0.001 0.000 0.334 533 W C 1.539 178.037 176.519 -0.035 0.000 1.334 533 W CA -1.556 55.767 57.345 -0.036 0.000 1.246 533 W CB -0.551 28.886 29.460 -0.039 0.000 1.184 533 W HN 0.167 nan 8.180 nan 0.000 0.563 534 A N 5.075 128.004 122.820 0.182 0.000 1.892 534 A HA -0.113 4.208 4.320 0.001 0.000 0.218 534 A C -0.817 176.805 177.584 0.063 0.000 1.188 534 A CA 0.983 53.068 52.037 0.080 0.000 0.631 534 A CB -2.334 16.680 19.000 0.023 0.000 0.822 534 A HN 0.475 nan 8.150 nan 0.000 0.447 535 P HA 0.223 nan 4.420 nan 0.000 0.271 535 P C -1.046 176.277 177.300 0.039 0.000 1.216 535 P CA 0.193 63.314 63.100 0.035 0.000 0.771 535 P CB 0.620 32.349 31.700 0.048 0.000 0.864 536 K N 2.329 122.732 120.400 0.005 0.000 2.240 536 K HA 0.389 4.710 4.320 0.001 0.000 0.271 536 K C -0.444 176.169 176.600 0.021 0.000 1.018 536 K CA -0.916 55.380 56.287 0.015 0.000 0.874 536 K CB 1.120 33.627 32.500 0.012 0.000 1.098 536 K HN 0.308 nan 8.250 nan 0.000 0.458 537 L N 3.806 125.044 121.223 0.025 0.000 2.262 537 L HA 0.271 4.611 4.340 0.001 0.000 0.288 537 L C -0.122 176.765 176.870 0.028 0.000 1.035 537 L CA 0.224 55.076 54.840 0.020 0.000 0.820 537 L CB 0.901 42.959 42.059 -0.002 0.000 1.204 537 L HN 0.768 nan 8.230 nan 0.000 0.424 538 T N 0.700 115.290 114.554 0.060 0.000 2.919 538 T HA 0.517 4.868 4.350 0.001 0.000 0.282 538 T C 0.149 174.884 174.700 0.059 0.000 1.020 538 T CA -0.686 61.470 62.100 0.093 0.000 0.994 538 T CB 0.840 69.801 68.868 0.156 0.000 1.180 538 T HN 0.500 nan 8.240 nan 0.000 0.566 539 H N 0.050 119.198 119.070 0.129 0.000 2.505 539 H HA 0.584 5.140 4.556 0.001 0.000 0.355 539 H C 0.927 176.342 175.328 0.146 0.000 1.179 539 H CA 0.134 56.264 56.048 0.137 0.000 1.343 539 H CB 1.287 31.112 29.762 0.105 0.000 1.501 539 H HN 1.088 nan 8.280 nan 0.000 0.569 540 T N 0.000 114.720 114.554 0.276 0.000 3.816 540 T HA 0.000 4.351 4.350 0.001 0.000 0.228 540 T CA 0.000 62.221 62.100 0.201 0.000 1.349 540 T CB 0.000 68.986 68.868 0.196 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658