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 3nl5_1_A DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGXXL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PXXXXXXXXX DATA SEQUENCE XXMGTAGAIR 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 SLSKGTNGTS VEDIPCVAVE DATA SEQUENCE AGPIEIMGDI TASGCSLGST 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 0.000 176.508 176.600 -0.154 0.000 0.988 2 K CA 0.000 56.292 56.287 0.008 0.000 0.838 2 K CB 0.000 32.505 32.500 0.008 0.000 1.064 3 F N 1.738 121.658 119.950 -0.051 0.000 2.425 3 F HA 0.645 5.172 4.527 -0.000 0.000 0.331 3 F C 1.378 177.204 175.800 0.043 0.000 1.085 3 F CA -0.373 57.562 58.000 -0.108 0.000 1.028 3 F CB 2.491 41.277 39.000 -0.356 0.000 1.177 3 F HN 0.608 nan 8.300 nan 0.000 0.487 4 S N 1.718 117.539 115.700 0.203 0.000 2.616 4 S HA 0.315 4.785 4.470 -0.000 0.000 0.277 4 S C 0.837 175.670 174.600 0.390 0.000 1.234 4 S CA -0.820 57.517 58.200 0.230 0.000 1.028 4 S CB 1.551 64.825 63.200 0.124 0.000 0.988 4 S HN 0.745 nan 8.310 nan 0.000 0.522 5 K N 1.157 121.764 120.400 0.345 0.000 2.059 5 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 5 K C 1.642 178.471 176.600 0.381 0.000 1.050 5 K CA 2.234 58.730 56.287 0.347 0.000 0.927 5 K CB -0.294 32.317 32.500 0.185 0.000 0.714 5 K HN 0.692 nan 8.250 nan 0.000 0.447 6 E N 0.609 120.965 120.200 0.260 0.000 2.409 6 E HA -0.137 4.212 4.350 -0.000 0.000 0.198 6 E C 1.443 178.166 176.600 0.206 0.000 1.024 6 E CA 0.854 57.381 56.400 0.211 0.000 0.861 6 E CB 0.031 29.818 29.700 0.144 0.000 0.788 6 E HN 0.339 nan 8.360 nan 0.000 0.521 7 Q N -0.716 119.218 119.800 0.223 0.000 2.408 7 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 7 Q C -0.292 175.730 176.000 0.038 0.000 0.919 7 Q CA -0.138 55.736 55.803 0.117 0.000 0.932 7 Q CB 0.253 29.045 28.738 0.091 0.000 1.058 7 Q HN 0.245 nan 8.270 nan 0.000 0.517 8 F N 2.000 121.933 119.950 -0.028 0.000 2.495 8 F HA 0.021 4.548 4.527 -0.000 0.000 0.365 8 F C 0.546 176.187 175.800 -0.265 0.000 1.090 8 F CA -0.337 57.494 58.000 -0.283 0.000 1.235 8 F CB 0.522 39.234 39.000 -0.480 0.000 1.119 8 F HN -0.111 nan 8.300 nan 0.000 0.562 9 D N 3.521 123.795 120.400 -0.210 0.000 2.454 9 D HA 0.128 4.768 4.640 -0.000 0.000 0.247 9 D C -0.463 175.744 176.300 -0.154 0.000 1.129 9 D CA -0.548 53.408 54.000 -0.074 0.000 0.877 9 D CB 0.154 40.934 40.800 -0.034 0.000 1.082 9 D HN 0.342 nan 8.370 nan 0.000 0.537 10 Y N 2.189 122.429 120.300 -0.099 0.000 2.488 10 Y HA 0.099 4.648 4.550 -0.000 0.000 0.319 10 Y C 2.290 178.162 175.900 -0.047 0.000 1.212 10 Y CA -0.276 57.728 58.100 -0.159 0.000 1.273 10 Y CB -0.428 37.907 38.460 -0.208 0.000 1.074 10 Y HN 0.278 nan 8.280 nan 0.000 0.503 11 S N 0.585 116.343 115.700 0.097 0.000 2.452 11 S HA -0.221 4.248 4.470 -0.000 0.000 0.253 11 S C 0.561 175.214 174.600 0.088 0.000 1.061 11 S CA 1.423 59.672 58.200 0.082 0.000 1.273 11 S CB -0.452 62.777 63.200 0.048 0.000 1.191 11 S HN 0.312 nan 8.310 nan 0.000 0.430 12 L N 0.957 122.223 121.223 0.072 0.000 2.342 12 L HA 0.479 4.818 4.340 -0.000 0.000 0.276 12 L C -1.584 175.365 176.870 0.131 0.000 0.997 12 L CA -0.660 54.230 54.840 0.083 0.000 0.838 12 L CB 1.194 43.279 42.059 0.042 0.000 1.224 12 L HN 0.309 nan 8.230 nan 0.000 0.416 13 Y N 6.336 126.632 120.300 -0.006 0.000 2.402 13 Y HA 0.482 5.031 4.550 -0.000 0.000 0.332 13 Y C -1.221 174.667 175.900 -0.020 0.000 0.960 13 Y CA -1.668 56.423 58.100 -0.015 0.000 1.228 13 Y CB 1.396 39.870 38.460 0.024 0.000 1.120 13 Y HN 0.605 nan 8.280 nan 0.000 0.491 14 L N 7.707 128.999 121.223 0.114 0.000 2.283 14 L HA 0.448 4.787 4.340 -0.000 0.000 0.287 14 L C -1.100 175.682 176.870 -0.147 0.000 1.073 14 L CA -0.219 54.596 54.840 -0.043 0.000 0.822 14 L CB 0.490 42.540 42.059 -0.015 0.000 1.186 14 L HN 0.359 nan 8.230 nan 0.000 0.436 15 V N 4.380 124.148 119.914 -0.244 0.000 2.407 15 V HA 0.431 4.551 4.120 -0.000 0.000 0.278 15 V C 0.506 176.521 176.094 -0.131 0.000 1.037 15 V CA -0.447 61.710 62.300 -0.239 0.000 0.900 15 V CB 1.368 33.005 31.823 -0.311 0.000 0.983 15 V HN 0.888 nan 8.190 nan 0.000 0.459 16 T N 0.727 115.228 114.554 -0.088 0.000 2.909 16 T HA 0.499 4.849 4.350 -0.000 0.000 0.286 16 T C -0.583 174.078 174.700 -0.064 0.000 1.002 16 T CA -0.670 61.394 62.100 -0.060 0.000 1.074 16 T CB 1.709 70.556 68.868 -0.034 0.000 0.984 16 T HN 0.639 nan 8.240 nan 0.000 0.495 17 D N 1.132 121.502 120.400 -0.051 0.000 2.336 17 D HA 0.227 4.866 4.640 -0.000 0.000 0.248 17 D C 0.910 177.193 176.300 -0.030 0.000 1.326 17 D CA -0.485 53.486 54.000 -0.049 0.000 0.973 17 D CB 1.758 42.529 40.800 -0.047 0.000 1.255 17 D HN 0.487 nan 8.370 nan 0.000 0.558 18 S N 1.854 117.540 115.700 -0.024 0.000 2.400 18 S HA -0.066 4.404 4.470 -0.000 0.000 0.232 18 S C 1.568 176.170 174.600 0.002 0.000 1.025 18 S CA 1.296 59.499 58.200 0.005 0.000 0.993 18 S CB -0.173 63.050 63.200 0.039 0.000 0.808 18 S HN 0.564 nan 8.310 nan 0.000 0.478 19 G N 2.010 110.804 108.800 -0.011 0.000 2.991 19 G HA2 0.357 4.317 3.960 -0.000 0.000 0.262 19 G HA3 0.357 4.317 3.960 -0.000 0.000 0.262 19 G C 0.209 175.102 174.900 -0.012 0.000 0.765 19 G CA 0.216 45.308 45.100 -0.014 0.000 2.051 19 G HN 0.746 nan 8.290 nan 0.000 0.602 20 M N -1.114 118.482 119.600 -0.007 0.000 5.978 20 M HA 0.245 4.725 4.480 -0.000 0.000 0.702 20 M C -1.482 174.817 176.300 -0.001 0.000 2.501 20 M CA -0.370 54.927 55.300 -0.006 0.000 0.158 20 M CB -0.793 31.803 32.600 -0.007 0.000 1.405 20 M HN -0.071 nan 8.290 nan 0.000 0.747 21 I N 3.740 124.312 120.570 0.003 0.000 2.396 21 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 21 I C -1.676 174.445 176.117 0.006 0.000 0.999 21 I CA -1.674 59.631 61.300 0.008 0.000 1.310 21 I CB 1.413 39.425 38.000 0.018 0.000 1.404 21 I HN 0.259 nan 8.210 nan 0.000 0.496 22 P HA 0.154 nan 4.420 nan 0.000 0.275 22 P C -0.688 176.616 177.300 0.007 0.000 1.227 22 P CA -0.396 62.706 63.100 0.004 0.000 0.781 22 P CB 0.570 32.272 31.700 0.003 0.000 0.906 23 E N 0.818 121.020 120.200 0.004 0.000 2.459 23 E HA 0.187 4.537 4.350 -0.000 0.000 0.264 23 E C 0.884 177.489 176.600 0.009 0.000 1.055 23 E CA 0.485 56.888 56.400 0.005 0.000 0.957 23 E CB -0.170 29.531 29.700 0.001 0.000 0.952 23 E HN 0.786 nan 8.360 nan 0.000 0.448 24 G N 2.414 111.221 108.800 0.011 0.000 2.338 24 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.296 24 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.296 24 G C -0.301 174.611 174.900 0.021 0.000 1.040 24 G CA 0.791 45.899 45.100 0.014 0.000 1.004 24 G HN 0.385 nan 8.290 nan 0.000 0.509 25 K N -0.580 119.836 120.400 0.026 0.000 2.583 25 K HA 0.403 4.723 4.320 -0.000 0.000 0.260 25 K C 0.435 177.062 176.600 0.046 0.000 0.931 25 K CA -0.263 56.045 56.287 0.035 0.000 0.849 25 K CB 1.311 33.826 32.500 0.025 0.000 1.347 25 K HN 0.316 nan 8.250 nan 0.000 0.425 26 T N -0.782 113.813 114.554 0.068 0.000 2.833 26 T HA 0.281 4.631 4.350 -0.000 0.000 0.292 26 T C 0.952 175.704 174.700 0.087 0.000 1.031 26 T CA -0.729 61.426 62.100 0.092 0.000 0.937 26 T CB 0.675 69.628 68.868 0.142 0.000 1.256 26 T HN 0.456 nan 8.240 nan 0.000 0.551 27 L N -0.897 120.392 121.223 0.111 0.000 2.145 27 L HA 0.217 4.557 4.340 -0.000 0.000 0.201 27 L C 2.411 179.341 176.870 0.100 0.000 1.075 27 L CA 0.919 55.812 54.840 0.088 0.000 0.773 27 L CB -0.992 41.122 42.059 0.092 0.000 0.936 27 L HN 0.773 nan 8.230 nan 0.000 0.451 28 Y N 0.309 120.623 120.300 0.023 0.000 2.241 28 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 28 Y C 2.101 178.011 175.900 0.017 0.000 1.166 28 Y CA 1.904 60.017 58.100 0.021 0.000 1.203 28 Y CB -0.529 37.948 38.460 0.028 0.000 0.977 28 Y HN 0.234 nan 8.280 nan 0.000 0.529 29 G N -0.743 108.124 108.800 0.112 0.000 2.394 29 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 29 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 29 G C 1.378 176.257 174.900 -0.034 0.000 1.165 29 G CA 0.595 45.719 45.100 0.040 0.000 0.784 29 G HN 0.303 nan 8.290 nan 0.000 0.535 30 Q N 0.542 120.329 119.800 -0.022 0.000 1.990 30 Q HA -0.032 4.308 4.340 -0.000 0.000 0.200 30 Q C 2.963 178.915 176.000 -0.079 0.000 0.980 30 Q CA 1.008 56.788 55.803 -0.037 0.000 0.832 30 Q CB -1.259 27.468 28.738 -0.018 0.000 0.897 30 Q HN 0.320 nan 8.270 nan 0.000 0.427 31 V N 1.787 121.644 119.914 -0.096 0.000 2.453 31 V HA -0.253 3.867 4.120 -0.000 0.000 0.252 31 V C 2.359 178.321 176.094 -0.221 0.000 1.068 31 V CA 1.930 64.149 62.300 -0.135 0.000 1.070 31 V CB -0.518 31.235 31.823 -0.116 0.000 0.664 31 V HN 0.430 nan 8.190 nan 0.000 0.461 32 E N -0.042 119.985 120.200 -0.290 0.000 2.051 32 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 32 E C 2.339 178.807 176.600 -0.221 0.000 0.991 32 E CA 1.422 57.624 56.400 -0.330 0.000 0.799 32 E CB -0.183 29.301 29.700 -0.360 0.000 0.748 32 E HN 0.575 nan 8.360 nan 0.000 0.449 33 A N 0.820 123.556 122.820 -0.140 0.000 1.873 33 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 33 A C 2.411 179.932 177.584 -0.105 0.000 1.193 33 A CA 2.002 53.985 52.037 -0.091 0.000 0.629 33 A CB -1.326 17.640 19.000 -0.055 0.000 0.826 33 A HN 0.430 nan 8.150 nan 0.000 0.447 34 G N -1.190 107.545 108.800 -0.109 0.000 2.708 34 G HA2 0.067 4.027 3.960 -0.000 0.000 0.210 34 G HA3 0.067 4.027 3.960 -0.000 0.000 0.210 34 G C 1.273 176.092 174.900 -0.134 0.000 1.141 34 G CA 0.779 45.822 45.100 -0.096 0.000 0.788 34 G HN 0.437 nan 8.290 nan 0.000 0.531 35 L N -1.204 119.880 121.223 -0.233 0.000 2.463 35 L HA 0.156 4.496 4.340 -0.000 0.000 0.219 35 L C 2.376 179.068 176.870 -0.296 0.000 1.088 35 L CA 0.203 54.825 54.840 -0.364 0.000 0.849 35 L CB 0.186 41.802 42.059 -0.738 0.000 1.012 35 L HN 0.160 nan 8.230 nan 0.000 0.468 36 Q N 0.211 119.900 119.800 -0.185 0.000 2.431 36 Q HA 0.039 4.378 4.340 -0.000 0.000 0.210 36 Q C 0.590 176.576 176.000 -0.024 0.000 0.958 36 Q CA 0.429 56.208 55.803 -0.039 0.000 0.957 36 Q CB 0.214 28.951 28.738 -0.002 0.000 1.007 36 Q HN 0.477 nan 8.270 nan 0.000 0.511 37 N N -1.910 116.762 118.700 -0.047 0.000 1.963 37 N HA 0.127 4.867 4.740 -0.000 0.000 0.244 37 N C 0.253 175.749 175.510 -0.023 0.000 1.288 37 N CA 0.686 53.722 53.050 -0.024 0.000 0.800 37 N CB 1.486 39.961 38.487 -0.021 0.000 1.293 37 N HN 0.163 nan 8.380 nan 0.000 0.483 42 V N 2.685 122.657 119.914 0.097 0.000 2.777 42 V HA 0.641 4.761 4.120 -0.000 0.000 0.306 42 V C -1.102 175.135 176.094 0.238 0.000 1.112 42 V CA -0.411 61.993 62.300 0.174 0.000 0.917 42 V CB 1.761 33.618 31.823 0.057 0.000 1.018 42 V HN 0.866 nan 8.190 nan 0.000 0.426 43 Q N 3.823 123.751 119.800 0.213 0.000 2.394 43 Q HA 0.767 5.106 4.340 -0.000 0.000 0.273 43 Q C -2.003 174.038 176.000 0.068 0.000 1.089 43 Q CA -0.755 55.154 55.803 0.176 0.000 0.812 43 Q CB 2.723 31.568 28.738 0.178 0.000 1.353 43 Q HN 0.750 nan 8.270 nan 0.000 0.438 44 I N 2.727 123.359 120.570 0.104 0.000 2.406 44 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 44 I C -0.515 175.658 176.117 0.094 0.000 0.999 44 I CA -0.487 60.867 61.300 0.091 0.000 1.124 44 I CB 1.758 39.853 38.000 0.159 0.000 1.289 44 I HN 0.539 nan 8.210 nan 0.000 0.441 45 R N 5.112 125.604 120.500 -0.013 0.000 2.371 45 R HA 0.365 4.705 4.340 -0.000 0.000 0.312 45 R C -1.147 175.050 176.300 -0.171 0.000 0.980 45 R CA -0.473 55.596 56.100 -0.051 0.000 0.867 45 R CB 0.901 31.159 30.300 -0.069 0.000 1.163 45 R HN 0.411 nan 8.270 nan 0.000 0.492 46 E N 3.392 123.394 120.200 -0.330 0.000 2.593 46 E HA 0.120 4.470 4.350 -0.000 0.000 0.232 46 E C -0.115 176.316 176.600 -0.282 0.000 1.026 46 E CA -0.191 55.914 56.400 -0.493 0.000 0.772 46 E CB 1.635 30.645 29.700 -1.149 0.000 1.310 46 E HN 0.618 nan 8.360 nan 0.000 0.413 47 K N 1.556 121.885 120.400 -0.118 0.000 2.520 47 K HA 0.096 4.416 4.320 -0.000 0.000 0.205 47 K C 0.426 177.014 176.600 -0.019 0.000 1.035 47 K CA 0.373 56.641 56.287 -0.032 0.000 1.188 47 K CB 0.097 32.588 32.500 -0.015 0.000 0.894 47 K HN 0.139 nan 8.250 nan 0.000 0.497 48 D N -1.878 118.499 120.400 -0.039 0.000 2.042 48 D HA 0.190 4.830 4.640 -0.000 0.000 0.351 48 D C 0.876 177.180 176.300 0.008 0.000 1.053 48 D CA 0.633 54.626 54.000 -0.012 0.000 0.903 48 D CB 0.196 40.983 40.800 -0.022 0.000 1.749 48 D HN 0.424 nan 8.370 nan 0.000 0.537 49 A N 1.173 123.994 122.820 0.003 0.000 2.281 49 A HA 0.221 4.541 4.320 -0.000 0.000 0.271 49 A C -0.097 177.561 177.584 0.123 0.000 1.196 49 A CA 0.032 52.112 52.037 0.071 0.000 0.807 49 A CB 0.057 19.158 19.000 0.169 0.000 1.138 49 A HN -0.116 nan 8.150 nan 0.000 0.506 50 D N 0.398 120.899 120.400 0.169 0.000 2.390 50 D HA 0.233 4.873 4.640 -0.000 0.000 0.249 50 D C 1.323 177.772 176.300 0.249 0.000 1.144 50 D CA 0.907 55.013 54.000 0.176 0.000 0.880 50 D CB 0.847 41.745 40.800 0.165 0.000 1.182 50 D HN 0.577 nan 8.370 nan 0.000 0.451 51 T N -0.780 113.900 114.554 0.210 0.000 3.139 51 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 51 T C 1.283 176.084 174.700 0.167 0.000 1.164 51 T CA 0.751 62.991 62.100 0.232 0.000 1.075 51 T CB 0.186 69.135 68.868 0.134 0.000 0.904 51 T HN 0.335 nan 8.240 nan 0.000 0.540 52 K N -0.345 120.160 120.400 0.175 0.000 2.190 52 K HA 0.176 4.496 4.320 -0.000 0.000 0.202 52 K C 1.781 178.489 176.600 0.179 0.000 1.045 52 K CA 0.073 56.441 56.287 0.135 0.000 0.976 52 K CB -0.197 32.370 32.500 0.112 0.000 0.849 52 K HN 0.252 nan 8.250 nan 0.000 0.468 53 F N 1.466 121.480 119.950 0.105 0.000 2.161 53 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 53 F C 1.784 177.686 175.800 0.171 0.000 1.089 53 F CA 1.032 59.091 58.000 0.098 0.000 1.282 53 F CB -0.352 38.684 39.000 0.060 0.000 1.010 53 F HN 0.061 nan 8.300 nan 0.000 0.485 54 F N 1.370 121.243 119.950 -0.129 0.000 2.091 54 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 54 F C 2.185 177.864 175.800 -0.203 0.000 1.103 54 F CA 1.663 59.546 58.000 -0.194 0.000 1.228 54 F CB -1.006 37.976 39.000 -0.030 0.000 0.984 54 F HN 0.028 nan 8.300 nan 0.000 0.477 55 I N -0.322 120.271 120.570 0.039 0.000 2.315 55 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 55 I C 2.136 178.215 176.117 -0.064 0.000 1.117 55 I CA 1.333 62.588 61.300 -0.075 0.000 1.404 55 I CB -0.566 37.391 38.000 -0.072 0.000 1.071 55 I HN 0.199 nan 8.210 nan 0.000 0.419 56 E N 0.529 120.685 120.200 -0.074 0.000 2.158 56 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 56 E C 1.990 178.505 176.600 -0.143 0.000 0.982 56 E CA 0.657 57.011 56.400 -0.077 0.000 0.823 56 E CB 0.018 29.709 29.700 -0.016 0.000 0.766 56 E HN 0.459 nan 8.360 nan 0.000 0.468 57 E N 0.811 120.817 120.200 -0.323 0.000 2.152 57 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 57 E C 1.983 178.521 176.600 -0.103 0.000 0.983 57 E CA 0.694 56.901 56.400 -0.321 0.000 0.818 57 E CB 0.062 29.336 29.700 -0.709 0.000 0.758 57 E HN 0.170 nan 8.360 nan 0.000 0.467 58 A N 1.133 123.933 122.820 -0.034 0.000 1.873 58 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 58 A C 2.159 179.738 177.584 -0.009 0.000 1.186 58 A CA 0.951 53.006 52.037 0.031 0.000 0.616 58 A CB -0.559 18.447 19.000 0.011 0.000 0.823 58 A HN 0.270 nan 8.150 nan 0.000 0.442 59 L N -1.025 120.177 121.223 -0.035 0.000 2.005 59 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 59 L C 2.849 179.710 176.870 -0.014 0.000 1.072 59 L CA 1.725 56.544 54.840 -0.036 0.000 0.744 59 L CB -0.628 41.408 42.059 -0.039 0.000 0.895 59 L HN 0.558 nan 8.230 nan 0.000 0.433 60 Q N 0.198 119.992 119.800 -0.009 0.000 2.325 60 Q HA -0.249 4.091 4.340 -0.000 0.000 0.211 60 Q C 2.054 178.121 176.000 0.111 0.000 0.988 60 Q CA 1.600 57.413 55.803 0.017 0.000 0.887 60 Q CB 0.019 28.749 28.738 -0.013 0.000 0.915 60 Q HN 0.584 nan 8.270 nan 0.000 0.440 61 I N -0.659 119.968 120.570 0.094 0.000 2.927 61 I HA -0.124 4.046 4.170 -0.000 0.000 0.268 61 I C 2.307 178.464 176.117 0.066 0.000 1.153 61 I CA 0.291 61.665 61.300 0.123 0.000 1.459 61 I CB -0.128 37.926 38.000 0.091 0.000 1.149 61 I HN 0.111 nan 8.210 nan 0.000 0.443 62 K N 1.340 121.736 120.400 -0.006 0.000 2.211 62 K HA -0.223 4.097 4.320 -0.000 0.000 0.204 62 K C 1.776 178.263 176.600 -0.187 0.000 1.047 62 K CA 1.491 57.700 56.287 -0.130 0.000 0.935 62 K CB 0.104 32.482 32.500 -0.204 0.000 0.728 62 K HN 0.321 nan 8.250 nan 0.000 0.452 63 E N 0.716 120.887 120.200 -0.048 0.000 2.028 63 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 63 E C 2.072 178.752 176.600 0.133 0.000 0.988 63 E CA 0.738 57.154 56.400 0.027 0.000 0.799 63 E CB -0.054 29.672 29.700 0.044 0.000 0.755 63 E HN 0.283 nan 8.360 nan 0.000 0.447 64 L N 0.809 122.145 121.223 0.189 0.000 1.971 64 L HA -0.294 4.046 4.340 -0.000 0.000 0.215 64 L C 2.512 179.534 176.870 0.253 0.000 1.072 64 L CA 1.656 56.634 54.840 0.230 0.000 0.758 64 L CB -0.473 41.689 42.059 0.172 0.000 0.889 64 L HN 0.388 nan 8.230 nan 0.000 0.433 65 C N -0.347 119.070 119.300 0.195 0.000 2.376 65 C HA -0.253 4.206 4.460 -0.000 0.000 0.275 65 C C 2.557 177.756 174.990 0.347 0.000 1.200 65 C CA 1.157 60.313 59.018 0.230 0.000 1.756 65 C CB -1.520 26.340 27.740 0.200 0.000 2.050 65 C HN 0.614 nan 8.230 nan 0.000 0.460 66 H N 0.531 119.680 119.070 0.131 0.000 2.489 66 H HA 0.022 4.577 4.556 -0.000 0.000 0.293 66 H C 2.226 177.605 175.328 0.084 0.000 1.066 66 H CA 1.331 57.461 56.048 0.136 0.000 1.305 66 H CB -0.619 29.214 29.762 0.119 0.000 1.386 66 H HN 0.528 nan 8.280 nan 0.000 0.551 67 A N -0.055 122.874 122.820 0.182 0.000 2.019 67 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 67 A C 1.069 178.545 177.584 -0.180 0.000 1.164 67 A CA 1.493 53.520 52.037 -0.018 0.000 0.644 67 A CB -0.352 18.607 19.000 -0.068 0.000 0.805 67 A HN 0.503 nan 8.150 nan 0.000 0.449 68 H N -2.352 116.751 119.070 0.054 0.000 2.528 68 H HA 0.219 4.775 4.556 -0.000 0.000 0.282 68 H C 0.747 176.089 175.328 0.023 0.000 1.097 68 H CA 0.210 56.272 56.048 0.023 0.000 1.121 68 H CB 0.293 30.059 29.762 0.006 0.000 1.590 68 H HN 0.468 nan 8.280 nan 0.000 0.553 69 N N 0.004 118.775 118.700 0.118 0.000 2.815 69 N HA -0.194 4.546 4.740 -0.000 0.000 0.247 69 N C -0.362 175.269 175.510 0.201 0.000 1.030 69 N CA 0.925 54.047 53.050 0.120 0.000 0.881 69 N CB -1.016 37.499 38.487 0.046 0.000 1.134 69 N HN 0.318 nan 8.380 nan 0.000 0.582 70 V N 0.180 120.140 119.914 0.076 0.000 2.481 70 V HA 0.751 4.871 4.120 -0.000 0.000 0.286 70 V C -2.134 173.775 176.094 -0.309 0.000 1.042 70 V CA -1.537 60.672 62.300 -0.151 0.000 0.928 70 V CB 1.628 33.395 31.823 -0.093 0.000 0.986 70 V HN 0.048 nan 8.190 nan 0.000 0.462 71 P HA 0.332 nan 4.420 nan 0.000 0.276 71 P C -1.164 176.041 177.300 -0.158 0.000 1.252 71 P CA -0.518 62.138 63.100 -0.741 0.000 0.802 71 P CB 1.491 32.385 31.700 -1.343 0.000 1.035 72 L N 1.519 122.765 121.223 0.038 0.000 2.342 72 L HA 0.598 4.938 4.340 -0.000 0.000 0.271 72 L C -0.750 176.203 176.870 0.138 0.000 1.008 72 L CA -0.753 54.144 54.840 0.095 0.000 0.818 72 L CB 1.046 43.160 42.059 0.092 0.000 1.296 72 L HN 0.267 nan 8.230 nan 0.000 0.427 73 I N 4.473 125.143 120.570 0.167 0.000 2.865 73 I HA 0.522 4.692 4.170 -0.000 0.000 0.302 73 I C -0.971 175.265 176.117 0.199 0.000 1.140 73 I CA -0.748 60.676 61.300 0.207 0.000 1.021 73 I CB 2.207 40.384 38.000 0.295 0.000 1.233 73 I HN 0.374 nan 8.210 nan 0.000 0.427 74 I N 2.189 122.874 120.570 0.192 0.000 2.785 74 I HA 0.437 4.607 4.170 -0.000 0.000 0.302 74 I C -0.409 175.833 176.117 0.207 0.000 1.069 74 I CA -0.753 60.662 61.300 0.191 0.000 1.045 74 I CB 1.541 39.606 38.000 0.109 0.000 1.236 74 I HN 0.549 nan 8.210 nan 0.000 0.429 75 N N 1.927 120.763 118.700 0.227 0.000 2.364 75 N HA 0.045 4.785 4.740 -0.000 0.000 0.264 75 N C 0.920 176.539 175.510 0.183 0.000 1.263 75 N CA 0.199 53.364 53.050 0.192 0.000 0.959 75 N CB 0.411 38.981 38.487 0.139 0.000 1.204 75 N HN 0.723 nan 8.380 nan 0.000 0.550 76 D N -0.552 119.942 120.400 0.156 0.000 4.054 76 D HA -0.386 4.254 4.640 -0.000 0.000 0.490 76 D C -0.103 176.260 176.300 0.105 0.000 1.378 76 D CA 2.515 56.591 54.000 0.127 0.000 1.393 76 D CB -0.703 40.167 40.800 0.117 0.000 0.330 76 D HN 0.614 nan 8.370 nan 0.000 0.823 77 R N 0.239 120.809 120.500 0.118 0.000 2.586 77 R HA 0.259 4.599 4.340 -0.000 0.000 0.346 77 R C 1.635 177.932 176.300 -0.005 0.000 1.044 77 R CA 0.933 57.058 56.100 0.043 0.000 1.004 77 R CB -1.628 28.673 30.300 0.002 0.000 0.968 77 R HN 0.502 nan 8.270 nan 0.000 0.438 78 I N 1.315 121.887 120.570 0.004 0.000 2.353 78 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 78 I C 1.994 178.092 176.117 -0.031 0.000 1.119 78 I CA 1.597 62.893 61.300 -0.006 0.000 1.417 78 I CB 0.000 38.001 38.000 0.002 0.000 1.078 78 I HN 0.826 nan 8.210 nan 0.000 0.421 79 D N 1.146 121.522 120.400 -0.039 0.000 2.087 79 D HA -0.187 4.453 4.640 -0.000 0.000 0.192 79 D C 2.078 178.324 176.300 -0.090 0.000 0.993 79 D CA 1.395 55.364 54.000 -0.051 0.000 0.828 79 D CB -1.156 39.620 40.800 -0.040 0.000 0.968 79 D HN 0.143 nan 8.370 nan 0.000 0.448 80 V N 1.087 120.907 119.914 -0.155 0.000 2.313 80 V HA -0.312 3.808 4.120 -0.000 0.000 0.253 80 V C 2.689 178.666 176.094 -0.196 0.000 1.070 80 V CA 2.240 64.384 62.300 -0.260 0.000 1.057 80 V CB -1.177 30.305 31.823 -0.569 0.000 0.653 80 V HN 0.484 nan 8.190 nan 0.000 0.450 81 A N -0.763 121.975 122.820 -0.137 0.000 1.832 81 A HA -0.232 4.088 4.320 -0.000 0.000 0.214 81 A C 2.244 179.806 177.584 -0.037 0.000 1.200 81 A CA 2.253 54.250 52.037 -0.066 0.000 0.610 81 A CB -0.548 18.442 19.000 -0.016 0.000 0.842 81 A HN 0.452 nan 8.150 nan 0.000 0.444 82 M N -0.445 119.137 119.600 -0.029 0.000 2.088 82 M HA -0.283 4.197 4.480 -0.000 0.000 0.256 82 M C 2.531 178.816 176.300 -0.024 0.000 1.071 82 M CA 1.729 57.019 55.300 -0.016 0.000 1.097 82 M CB -0.630 31.960 32.600 -0.017 0.000 1.315 82 M HN 0.534 nan 8.290 nan 0.000 0.406 83 A N 1.088 123.881 122.820 -0.045 0.000 1.870 83 A HA -0.224 4.095 4.320 -0.000 0.000 0.219 83 A C 1.809 179.367 177.584 -0.042 0.000 1.224 83 A CA 2.262 54.270 52.037 -0.049 0.000 0.650 83 A CB -1.261 17.694 19.000 -0.075 0.000 0.836 83 A HN 0.743 nan 8.150 nan 0.000 0.454 84 I N -3.473 117.064 120.570 -0.055 0.000 3.812 84 I HA 0.480 4.650 4.170 -0.000 0.000 0.319 84 I C 0.907 177.011 176.117 -0.022 0.000 1.353 84 I CA 0.316 61.588 61.300 -0.046 0.000 1.170 84 I CB -0.943 37.017 38.000 -0.068 0.000 1.057 84 I HN 0.485 nan 8.210 nan 0.000 0.411 85 G N 2.179 110.977 108.800 -0.002 0.000 2.372 85 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.297 85 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.297 85 G C 0.373 175.304 174.900 0.053 0.000 1.005 85 G CA 0.238 45.355 45.100 0.029 0.000 1.173 85 G HN 0.969 nan 8.290 nan 0.000 0.511 86 A N -0.447 122.402 122.820 0.049 0.000 2.327 86 A HA 0.632 4.952 4.320 -0.000 0.000 0.255 86 A C 1.215 178.884 177.584 0.140 0.000 1.099 86 A CA 0.481 52.564 52.037 0.077 0.000 0.801 86 A CB 0.501 19.534 19.000 0.055 0.000 1.062 86 A HN 0.279 nan 8.150 nan 0.000 0.496 87 D N -0.777 119.733 120.400 0.183 0.000 2.355 87 D HA 0.299 4.938 4.640 -0.000 0.000 0.206 87 D C 0.712 177.168 176.300 0.260 0.000 1.010 87 D CA 1.555 55.712 54.000 0.262 0.000 0.875 87 D CB 0.650 41.591 40.800 0.236 0.000 0.966 87 D HN 0.750 nan 8.370 nan 0.000 0.512 88 G N 0.515 109.425 108.800 0.183 0.000 2.576 88 G HA2 0.533 4.493 3.960 -0.000 0.000 0.290 88 G HA3 0.533 4.493 3.960 -0.000 0.000 0.290 88 G C -1.750 173.240 174.900 0.150 0.000 1.442 88 G CA -0.744 44.438 45.100 0.135 0.000 0.792 88 G HN 0.085 nan 8.290 nan 0.000 0.491 89 I N -1.155 119.503 120.570 0.147 0.000 2.586 89 I HA 0.592 4.762 4.170 -0.000 0.000 0.288 89 I C -1.792 174.437 176.117 0.188 0.000 1.147 89 I CA -0.925 60.471 61.300 0.159 0.000 1.047 89 I CB 2.487 40.542 38.000 0.090 0.000 1.244 89 I HN 0.625 nan 8.210 nan 0.000 0.429 90 H N 6.992 126.153 119.070 0.152 0.000 2.488 90 H HA 0.718 5.274 4.556 -0.000 0.000 0.322 90 H C -1.291 174.101 175.328 0.108 0.000 1.078 90 H CA -0.269 55.862 56.048 0.138 0.000 1.260 90 H CB 1.968 31.879 29.762 0.249 0.000 1.425 90 H HN 0.698 nan 8.280 nan 0.000 0.471 91 V N 2.650 122.714 119.914 0.250 0.000 3.074 91 V HA 0.844 4.963 4.120 -0.000 0.000 0.314 91 V C 0.459 176.734 176.094 0.300 0.000 1.117 91 V CA -0.342 62.123 62.300 0.276 0.000 1.014 91 V CB 1.518 33.442 31.823 0.169 0.000 1.057 91 V HN 0.792 nan 8.190 nan 0.000 0.438 92 G N 0.466 109.391 108.800 0.208 0.000 2.508 92 G HA2 0.377 4.336 3.960 -0.000 0.000 0.278 92 G HA3 0.377 4.336 3.960 -0.000 0.000 0.278 92 G C 0.147 175.073 174.900 0.042 0.000 1.389 92 G CA 0.258 45.410 45.100 0.086 0.000 1.050 92 G HN 0.906 nan 8.290 nan 0.000 0.522 93 Q N -1.695 118.032 119.800 -0.122 0.000 2.354 93 Q HA 0.073 4.413 4.340 -0.000 0.000 0.203 93 Q C 1.052 177.065 176.000 0.022 0.000 0.933 93 Q CA 0.942 56.667 55.803 -0.130 0.000 0.901 93 Q CB 0.369 28.903 28.738 -0.340 0.000 1.007 93 Q HN 0.473 nan 8.270 nan 0.000 0.495 94 D N 0.266 120.668 120.400 0.003 0.000 2.368 94 D HA 0.065 4.705 4.640 -0.000 0.000 0.218 94 D C -0.426 175.903 176.300 0.048 0.000 1.112 94 D CA 0.087 54.100 54.000 0.021 0.000 0.834 94 D CB 0.348 41.145 40.800 -0.006 0.000 0.953 94 D HN 0.217 nan 8.370 nan 0.000 0.505 95 D N -0.141 120.307 120.400 0.080 0.000 2.399 95 D HA 0.107 4.747 4.640 -0.000 0.000 0.288 95 D C 0.594 176.947 176.300 0.088 0.000 1.197 95 D CA -0.410 53.642 54.000 0.086 0.000 1.081 95 D CB 0.469 41.333 40.800 0.106 0.000 1.139 95 D HN -0.050 nan 8.370 nan 0.000 0.554 96 M N 1.089 120.733 119.600 0.074 0.000 2.180 96 M HA 0.259 4.739 4.480 -0.000 0.000 0.358 96 M C -2.395 173.924 176.300 0.030 0.000 1.233 96 M CA -1.249 54.078 55.300 0.045 0.000 1.114 96 M CB 1.075 33.690 32.600 0.025 0.000 1.594 96 M HN -0.128 nan 8.290 nan 0.000 0.467 97 P HA -0.138 nan 4.420 nan 0.000 0.263 97 P C 0.627 177.868 177.300 -0.097 0.000 1.162 97 P CA 0.088 63.173 63.100 -0.024 0.000 0.758 97 P CB 0.220 31.909 31.700 -0.019 0.000 0.773 98 I N 5.386 125.831 120.570 -0.208 0.000 2.226 98 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 98 I C -0.711 175.294 176.117 -0.187 0.000 1.100 98 I CA 1.898 63.026 61.300 -0.286 0.000 1.374 98 I CB -2.648 35.036 38.000 -0.525 0.000 1.057 98 I HN 0.374 nan 8.210 nan 0.000 0.413 99 P HA -0.119 nan 4.420 nan 0.000 0.216 99 P C 2.126 179.377 177.300 -0.082 0.000 1.153 99 P CA 1.458 64.490 63.100 -0.112 0.000 0.848 99 P CB -0.125 31.520 31.700 -0.093 0.000 0.787 100 M N -1.583 117.977 119.600 -0.067 0.000 2.202 100 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 100 M C 1.991 178.262 176.300 -0.048 0.000 1.063 100 M CA 1.685 56.956 55.300 -0.047 0.000 1.097 100 M CB -0.758 31.822 32.600 -0.033 0.000 1.382 100 M HN -0.066 nan 8.290 nan 0.000 0.413 101 I N -0.899 119.633 120.570 -0.063 0.000 2.406 101 I HA -0.208 3.962 4.170 -0.000 0.000 0.249 101 I C 2.587 178.670 176.117 -0.057 0.000 1.122 101 I CA 0.819 62.085 61.300 -0.056 0.000 1.431 101 I CB -0.315 37.641 38.000 -0.072 0.000 1.087 101 I HN 0.205 nan 8.210 nan 0.000 0.424 102 R N 1.708 122.163 120.500 -0.074 0.000 2.115 102 R HA -0.100 4.240 4.340 -0.000 0.000 0.226 102 R C 2.154 178.424 176.300 -0.051 0.000 1.100 102 R CA 1.278 57.338 56.100 -0.067 0.000 0.980 102 R CB -0.408 29.839 30.300 -0.088 0.000 0.875 102 R HN 0.085 nan 8.270 nan 0.000 0.445 103 K N 0.370 120.739 120.400 -0.050 0.000 2.360 103 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 103 K C 1.240 177.822 176.600 -0.029 0.000 1.046 103 K CA 1.133 57.396 56.287 -0.039 0.000 0.945 103 K CB 0.101 32.579 32.500 -0.038 0.000 0.750 103 K HN 0.295 nan 8.250 nan 0.000 0.464 104 L N -0.118 121.088 121.223 -0.028 0.000 2.347 104 L HA -0.010 4.330 4.340 -0.000 0.000 0.196 104 L C 2.299 179.160 176.870 -0.016 0.000 1.072 104 L CA 0.299 55.127 54.840 -0.020 0.000 0.817 104 L CB -0.439 41.609 42.059 -0.018 0.000 1.029 104 L HN -0.106 nan 8.230 nan 0.000 0.478 105 V N -1.478 118.426 119.914 -0.017 0.000 2.970 105 V HA 0.277 4.397 4.120 -0.000 0.000 0.260 105 V C 1.131 177.222 176.094 -0.005 0.000 1.100 105 V CA 0.182 62.478 62.300 -0.007 0.000 1.122 105 V CB -1.771 30.050 31.823 -0.003 0.000 0.721 105 V HN 0.484 nan 8.190 nan 0.000 0.483 106 G N 1.227 110.018 108.800 -0.016 0.000 3.149 106 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.685 106 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.685 106 G C -2.057 172.837 174.900 -0.010 0.000 1.589 106 G CA -0.249 44.842 45.100 -0.016 0.000 1.187 106 G HN 0.586 nan 8.290 nan 0.000 0.604 107 P HA 0.274 nan 4.420 nan 0.000 0.271 107 P C 0.396 177.704 177.300 0.013 0.000 1.233 107 P CA 0.775 63.867 63.100 -0.013 0.000 0.795 107 P CB 0.314 31.999 31.700 -0.024 0.000 0.936 108 D N -3.479 116.940 120.400 0.031 0.000 2.619 108 D HA -0.123 4.517 4.640 -0.000 0.000 0.181 108 D C -0.013 176.346 176.300 0.099 0.000 0.913 108 D CA 0.831 54.872 54.000 0.068 0.000 0.996 108 D CB -1.389 39.448 40.800 0.061 0.000 1.043 108 D HN 0.385 nan 8.370 nan 0.000 0.466 109 M N 1.476 121.117 119.600 0.068 0.000 2.321 109 M HA 0.431 4.911 4.480 -0.000 0.000 0.315 109 M C -0.744 175.574 176.300 0.029 0.000 1.052 109 M CA -0.732 54.615 55.300 0.078 0.000 0.936 109 M CB 2.147 34.786 32.600 0.065 0.000 1.639 109 M HN -0.220 nan 8.290 nan 0.000 0.433 110 V N 6.123 126.034 119.914 -0.005 0.000 2.572 110 V HA 0.195 4.315 4.120 -0.000 0.000 0.291 110 V C 0.050 176.140 176.094 -0.006 0.000 1.039 110 V CA 0.252 62.494 62.300 -0.096 0.000 1.055 110 V CB 0.801 32.342 31.823 -0.470 0.000 0.969 110 V HN 0.685 nan 8.190 nan 0.000 0.482 111 I N 4.846 125.398 120.570 -0.030 0.000 2.390 111 I HA 0.429 4.599 4.170 -0.000 0.000 0.283 111 I C 0.842 176.775 176.117 -0.307 0.000 1.016 111 I CA -0.189 61.048 61.300 -0.105 0.000 1.151 111 I CB 1.433 39.351 38.000 -0.138 0.000 1.293 111 I HN 0.710 nan 8.210 nan 0.000 0.458 112 G N 4.948 113.439 108.800 -0.515 0.000 2.537 112 G HA2 0.363 4.323 3.960 -0.000 0.000 0.273 112 G HA3 0.363 4.323 3.960 -0.000 0.000 0.273 112 G C -1.845 172.566 174.900 -0.815 0.000 1.189 112 G CA -0.083 44.196 45.100 -1.368 0.000 0.881 112 G HN 0.531 nan 8.290 nan 0.000 0.535 113 W N -0.420 120.271 121.300 -1.016 0.000 3.107 113 W HA 0.584 5.244 4.660 -0.000 0.000 0.331 113 W C -0.547 175.719 176.519 -0.421 0.000 1.204 113 W CA -1.308 55.686 57.345 -0.584 0.000 1.184 113 W CB 1.851 31.107 29.460 -0.341 0.000 1.421 113 W HN 0.446 nan 8.180 nan 0.000 0.544 114 S N 2.236 117.771 115.700 -0.275 0.000 2.465 114 S HA 0.586 5.056 4.470 -0.000 0.000 0.279 114 S C -0.779 173.488 174.600 -0.555 0.000 1.201 114 S CA -0.505 57.545 58.200 -0.249 0.000 1.053 114 S CB 0.644 63.764 63.200 -0.133 0.000 0.953 114 S HN 0.191 nan 8.310 nan 0.000 0.488 115 V N 2.866 122.559 119.914 -0.369 0.000 2.483 115 V HA 0.622 4.742 4.120 -0.000 0.000 0.297 115 V C 0.887 176.814 176.094 -0.278 0.000 1.027 115 V CA -0.613 61.443 62.300 -0.407 0.000 0.855 115 V CB 1.507 33.159 31.823 -0.284 0.000 0.995 115 V HN 0.954 nan 8.190 nan 0.000 0.424 116 G N 3.221 111.817 108.800 -0.340 0.000 2.780 116 G HA2 0.254 4.214 3.960 -0.000 0.000 0.198 116 G HA3 0.254 4.214 3.960 -0.000 0.000 0.198 116 G C 0.132 175.082 174.900 0.084 0.000 1.067 116 G CA 0.292 45.261 45.100 -0.218 0.000 0.765 116 G HN 0.394 nan 8.290 nan 0.000 0.581 117 F N 0.182 120.047 119.950 -0.142 0.000 2.457 117 F HA 0.531 5.057 4.527 -0.000 0.000 0.330 117 F C -1.821 173.917 175.800 -0.102 0.000 1.069 117 F CA -3.253 54.683 58.000 -0.107 0.000 1.009 117 F CB 1.238 40.183 39.000 -0.092 0.000 1.276 117 F HN -0.185 nan 8.300 nan 0.000 0.492 118 P HA 0.105 nan 4.420 nan 0.000 0.252 118 P C 0.639 177.970 177.300 0.052 0.000 1.211 118 P CA 0.539 63.668 63.100 0.048 0.000 0.824 118 P CB 0.347 32.056 31.700 0.015 0.000 1.077 119 E N 0.505 120.752 120.200 0.079 0.000 2.273 119 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 119 E C 1.589 178.233 176.600 0.073 0.000 1.002 119 E CA 1.149 57.592 56.400 0.071 0.000 0.828 119 E CB -0.554 29.197 29.700 0.085 0.000 0.747 119 E HN 0.447 nan 8.360 nan 0.000 0.491 120 E N -0.221 120.008 120.200 0.048 0.000 2.051 120 E HA -0.086 4.263 4.350 -0.000 0.000 0.189 120 E C 1.982 178.661 176.600 0.132 0.000 0.979 120 E CA 0.968 57.388 56.400 0.033 0.000 0.803 120 E CB 0.122 29.693 29.700 -0.215 0.000 0.761 120 E HN 0.078 nan 8.360 nan 0.000 0.451 121 V N 2.035 121.989 119.914 0.065 0.000 2.594 121 V HA -0.237 3.883 4.120 -0.000 0.000 0.253 121 V C 1.623 177.759 176.094 0.069 0.000 1.069 121 V CA 1.620 63.957 62.300 0.062 0.000 1.082 121 V CB -0.486 31.334 31.823 -0.005 0.000 0.680 121 V HN 0.201 nan 8.190 nan 0.000 0.469 122 D N 0.461 120.901 120.400 0.066 0.000 2.092 122 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 122 D C 2.248 178.604 176.300 0.093 0.000 0.994 122 D CA 1.605 55.644 54.000 0.066 0.000 0.828 122 D CB -0.167 40.665 40.800 0.054 0.000 0.963 122 D HN 0.582 nan 8.370 nan 0.000 0.450 123 E N 0.420 120.695 120.200 0.125 0.000 2.085 123 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 123 E C 2.321 178.996 176.600 0.125 0.000 0.994 123 E CA 0.302 56.783 56.400 0.137 0.000 0.801 123 E CB -0.189 29.640 29.700 0.214 0.000 0.743 123 E HN 0.221 nan 8.360 nan 0.000 0.453 124 L N 0.645 121.981 121.223 0.188 0.000 2.079 124 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 124 L C 1.953 178.932 176.870 0.181 0.000 1.081 124 L CA 1.406 56.336 54.840 0.151 0.000 0.752 124 L CB 0.045 42.224 42.059 0.200 0.000 0.896 124 L HN -0.004 nan 8.230 nan 0.000 0.433 125 S N -1.272 114.538 115.700 0.183 0.000 2.492 125 S HA 0.031 4.501 4.470 -0.000 0.000 0.218 125 S C 1.455 176.183 174.600 0.214 0.000 1.016 125 S CA 0.006 58.393 58.200 0.311 0.000 0.916 125 S CB 0.133 63.450 63.200 0.195 0.000 0.791 125 S HN 0.328 nan 8.310 nan 0.000 0.513 126 K N 1.032 121.503 120.400 0.118 0.000 2.664 126 K HA 0.169 4.489 4.320 -0.000 0.000 0.193 126 K C 0.772 177.388 176.600 0.027 0.000 1.028 126 K CA 0.582 56.908 56.287 0.064 0.000 1.005 126 K CB -0.190 32.338 32.500 0.047 0.000 0.815 126 K HN 0.369 nan 8.250 nan 0.000 0.496 127 M N -0.545 119.076 119.600 0.035 0.000 2.347 127 M HA 0.121 4.600 4.480 -0.000 0.000 0.302 127 M C 0.611 176.838 176.300 -0.122 0.000 1.051 127 M CA -0.205 55.069 55.300 -0.043 0.000 0.988 127 M CB 1.162 33.719 32.600 -0.071 0.000 1.475 127 M HN 0.272 nan 8.290 nan 0.000 0.530 128 G N 2.093 110.813 108.800 -0.133 0.000 2.633 128 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.263 128 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.263 128 G C -2.983 171.274 174.900 -1.072 0.000 1.310 128 G CA -0.941 43.871 45.100 -0.480 0.000 0.914 128 G HN 0.185 nan 8.290 nan 0.000 0.569 129 P HA 0.365 nan 4.420 nan 0.000 0.302 129 P C -0.120 176.746 177.300 -0.724 0.000 1.307 129 P CA 0.165 62.189 63.100 -1.792 0.000 0.754 129 P CB 0.222 31.128 31.700 -1.324 0.000 1.298 130 D N -2.035 118.088 120.400 -0.462 0.000 2.792 130 D HA -0.173 4.467 4.640 -0.000 0.000 0.231 130 D C -0.403 175.790 176.300 -0.177 0.000 1.160 130 D CA 1.431 55.299 54.000 -0.220 0.000 0.697 130 D CB -1.233 39.459 40.800 -0.181 0.000 1.070 130 D HN 0.391 nan 8.370 nan 0.000 0.426 131 M N -0.867 118.636 119.600 -0.162 0.000 2.298 131 M HA 0.159 4.638 4.480 -0.000 0.000 0.255 131 M C -0.582 175.695 176.300 -0.039 0.000 1.021 131 M CA -0.634 54.589 55.300 -0.129 0.000 0.968 131 M CB 2.739 35.239 32.600 -0.166 0.000 2.037 131 M HN -0.182 nan 8.290 nan 0.000 0.478 132 V N 2.552 122.404 119.914 -0.103 0.000 4.190 132 V HA -0.188 3.932 4.120 -0.000 0.000 0.437 132 V C -0.009 176.148 176.094 0.105 0.000 0.680 132 V CA 0.881 63.132 62.300 -0.082 0.000 1.799 132 V CB -1.182 30.581 31.823 -0.101 0.000 2.188 132 V HN 1.036 nan 8.190 nan 0.000 0.488 133 D N 2.339 122.771 120.400 0.055 0.000 2.369 133 D HA 0.300 4.940 4.640 -0.000 0.000 0.211 133 D C 0.105 176.499 176.300 0.156 0.000 1.077 133 D CA 1.117 55.216 54.000 0.166 0.000 0.842 133 D CB 0.845 41.719 40.800 0.123 0.000 0.947 133 D HN 0.936 nan 8.370 nan 0.000 0.509 134 Y N -0.042 120.225 120.300 -0.056 0.000 2.638 134 Y HA 0.395 4.944 4.550 -0.000 0.000 0.334 134 Y C -2.096 173.763 175.900 -0.068 0.000 1.182 134 Y CA -1.723 56.296 58.100 -0.134 0.000 1.102 134 Y CB 0.217 38.575 38.460 -0.170 0.000 1.343 134 Y HN -0.157 nan 8.280 nan 0.000 0.463 135 I N 0.685 121.225 120.570 -0.050 0.000 2.892 135 I HA 1.062 5.232 4.170 -0.000 0.000 0.306 135 I C -0.345 175.856 176.117 0.141 0.000 1.078 135 I CA -1.375 59.869 61.300 -0.093 0.000 1.032 135 I CB 2.659 40.627 38.000 -0.052 0.000 1.229 135 I HN 1.054 nan 8.210 nan 0.000 0.435 136 G N 2.851 111.741 108.800 0.151 0.000 2.417 136 G HA2 0.576 4.536 3.960 -0.000 0.000 0.320 136 G HA3 0.576 4.536 3.960 -0.000 0.000 0.320 136 G C -0.561 174.369 174.900 0.050 0.000 1.204 136 G CA -0.709 44.520 45.100 0.215 0.000 0.923 136 G HN 0.736 nan 8.290 nan 0.000 0.466 137 V N 2.036 121.953 119.914 0.005 0.000 2.406 137 V HA 0.782 4.902 4.120 -0.000 0.000 0.272 137 V C 1.193 177.232 176.094 -0.092 0.000 1.043 137 V CA 0.039 62.303 62.300 -0.060 0.000 0.915 137 V CB 0.030 31.814 31.823 -0.065 0.000 0.988 137 V HN 1.820 nan 8.190 nan 0.000 0.466 138 G N 4.936 113.664 108.800 -0.120 0.000 2.581 138 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.289 138 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.289 138 G C 0.100 174.923 174.900 -0.128 0.000 1.303 138 G CA 0.161 45.181 45.100 -0.133 0.000 0.931 138 G HN 1.529 nan 8.290 nan 0.000 0.555 139 T N 1.430 115.908 114.554 -0.127 0.000 3.241 139 T HA 0.518 4.868 4.350 -0.000 0.000 0.387 139 T C 1.834 176.424 174.700 -0.184 0.000 1.451 139 T CA 0.029 62.056 62.100 -0.122 0.000 1.363 139 T CB 0.735 69.555 68.868 -0.081 0.000 1.074 139 T HN 0.598 nan 8.240 nan 0.000 0.598 140 L N 0.985 122.019 121.223 -0.315 0.000 1.987 140 L HA -0.128 4.212 4.340 -0.000 0.000 0.230 140 L C 0.353 176.765 176.870 -0.763 0.000 1.089 140 L CA 1.887 56.313 54.840 -0.691 0.000 0.802 140 L CB -0.461 40.975 42.059 -1.038 0.000 0.905 140 L HN 0.459 nan 8.230 nan 0.000 0.441 141 F N -1.574 118.373 119.950 -0.005 0.000 2.522 141 F HA 0.557 5.084 4.527 -0.000 0.000 0.324 141 F C -2.231 173.576 175.800 0.010 0.000 1.077 141 F CA -2.750 55.259 58.000 0.016 0.000 0.944 141 F CB 0.146 39.158 39.000 0.021 0.000 1.175 141 F HN -0.238 nan 8.300 nan 0.000 0.468 155 G N 1.398 110.082 108.800 -0.195 0.000 2.801 155 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.244 155 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.244 155 G C 0.447 175.215 174.900 -0.221 0.000 1.385 155 G CA 1.102 46.048 45.100 -0.257 0.000 0.894 155 G HN 1.032 nan 8.290 nan 0.000 0.562 156 T N -1.243 113.216 114.554 -0.158 0.000 2.665 156 T HA -0.031 4.318 4.350 -0.000 0.000 0.268 156 T C 2.795 177.406 174.700 -0.149 0.000 1.035 156 T CA 3.397 65.412 62.100 -0.141 0.000 1.151 156 T CB -0.945 67.863 68.868 -0.100 0.000 0.862 156 T HN 2.185 nan 8.240 nan 0.000 0.438 157 A N 2.204 124.944 122.820 -0.134 0.000 1.909 157 A HA -0.052 4.268 4.320 -0.000 0.000 0.221 157 A C 2.685 180.202 177.584 -0.112 0.000 1.223 157 A CA 2.330 54.282 52.037 -0.143 0.000 0.658 157 A CB -1.656 17.324 19.000 -0.032 0.000 0.831 157 A HN 0.726 nan 8.150 nan 0.000 0.462 158 G N -2.150 106.598 108.800 -0.087 0.000 2.880 158 G HA2 0.308 4.268 3.960 -0.000 0.000 0.209 158 G HA3 0.308 4.268 3.960 -0.000 0.000 0.209 158 G C 1.345 176.204 174.900 -0.069 0.000 1.157 158 G CA 1.026 46.087 45.100 -0.065 0.000 0.779 158 G HN 0.856 nan 8.290 nan 0.000 0.539 159 A N 0.519 123.278 122.820 -0.101 0.000 2.016 159 A HA 0.257 4.577 4.320 -0.000 0.000 0.217 159 A C 2.177 179.707 177.584 -0.089 0.000 1.162 159 A CA 0.554 52.530 52.037 -0.102 0.000 0.662 159 A CB -0.125 18.799 19.000 -0.128 0.000 0.812 159 A HN 0.361 nan 8.150 nan 0.000 0.450 160 I N -1.611 118.900 120.570 -0.099 0.000 2.585 160 I HA -0.080 4.089 4.170 -0.000 0.000 0.254 160 I C 2.561 178.632 176.117 -0.077 0.000 1.129 160 I CA 0.487 61.731 61.300 -0.092 0.000 1.455 160 I CB -0.386 37.541 38.000 -0.122 0.000 1.111 160 I HN 0.264 nan 8.210 nan 0.000 0.433 161 R N 0.583 121.039 120.500 -0.074 0.000 2.105 161 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 161 R C 2.250 178.521 176.300 -0.048 0.000 1.135 161 R CA 1.312 57.377 56.100 -0.059 0.000 0.967 161 R CB -0.150 30.117 30.300 -0.054 0.000 0.861 161 R HN 0.227 nan 8.270 nan 0.000 0.442 162 V N 0.766 120.651 119.914 -0.048 0.000 2.346 162 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 162 V C 2.155 178.214 176.094 -0.059 0.000 1.037 162 V CA 1.261 63.534 62.300 -0.046 0.000 1.029 162 V CB -0.315 31.479 31.823 -0.049 0.000 0.663 162 V HN 0.301 nan 8.190 nan 0.000 0.454 163 L N -0.033 121.152 121.223 -0.064 0.000 2.353 163 L HA -0.149 4.191 4.340 -0.000 0.000 0.220 163 L C 2.036 178.868 176.870 -0.063 0.000 1.133 163 L CA 1.136 55.937 54.840 -0.065 0.000 0.798 163 L CB -0.429 41.596 42.059 -0.056 0.000 0.922 163 L HN 0.413 nan 8.230 nan 0.000 0.445 164 D N -0.365 119.999 120.400 -0.060 0.000 2.269 164 D HA 0.029 4.669 4.640 -0.000 0.000 0.220 164 D C 2.234 178.501 176.300 -0.054 0.000 0.962 164 D CA 1.080 55.045 54.000 -0.059 0.000 0.884 164 D CB 0.222 40.984 40.800 -0.062 0.000 1.023 164 D HN 0.161 nan 8.370 nan 0.000 0.484 165 A N 1.237 124.028 122.820 -0.048 0.000 1.997 165 A HA -0.177 4.142 4.320 -0.000 0.000 0.221 165 A C 2.335 179.889 177.584 -0.050 0.000 1.172 165 A CA 1.025 53.038 52.037 -0.039 0.000 0.645 165 A CB -0.813 18.170 19.000 -0.028 0.000 0.813 165 A HN 0.234 nan 8.150 nan 0.000 0.454 166 L N -1.494 119.686 121.223 -0.071 0.000 2.017 166 L HA -0.189 4.150 4.340 -0.000 0.000 0.208 166 L C 2.693 179.508 176.870 -0.092 0.000 1.073 166 L CA 1.868 56.644 54.840 -0.108 0.000 0.745 166 L CB -0.330 41.649 42.059 -0.133 0.000 0.894 166 L HN 0.378 nan 8.230 nan 0.000 0.432 167 E N -0.190 119.969 120.200 -0.067 0.000 2.107 167 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 167 E C 2.162 178.744 176.600 -0.029 0.000 0.982 167 E CA 0.725 57.097 56.400 -0.046 0.000 0.809 167 E CB -0.044 29.629 29.700 -0.045 0.000 0.756 167 E HN 0.164 nan 8.360 nan 0.000 0.459 168 R N 0.121 120.602 120.500 -0.031 0.000 2.241 168 R HA -0.061 4.279 4.340 -0.000 0.000 0.224 168 R C 0.761 177.059 176.300 -0.003 0.000 1.101 168 R CA 1.440 57.529 56.100 -0.018 0.000 0.995 168 R CB -0.123 30.164 30.300 -0.021 0.000 0.870 168 R HN 0.102 nan 8.270 nan 0.000 0.463 169 N N 0.327 119.022 118.700 -0.009 0.000 2.236 169 N HA -0.017 4.722 4.740 -0.000 0.000 0.196 169 N C -0.614 174.918 175.510 0.038 0.000 1.114 169 N CA -0.163 52.895 53.050 0.013 0.000 0.859 169 N CB 0.359 38.843 38.487 -0.004 0.000 0.982 169 N HN 0.122 nan 8.380 nan 0.000 0.493 170 N N 1.343 120.063 118.700 0.032 0.000 2.696 170 N HA -0.239 4.500 4.740 -0.000 0.000 0.271 170 N C -1.090 174.489 175.510 0.115 0.000 0.997 170 N CA 0.531 53.635 53.050 0.090 0.000 0.801 170 N CB -0.863 37.710 38.487 0.142 0.000 0.913 170 N HN 0.296 nan 8.380 nan 0.000 0.557 171 A N 2.512 125.236 122.820 -0.159 0.000 2.880 171 A HA 0.237 4.557 4.320 -0.000 0.000 0.328 171 A C 1.284 178.506 177.584 -0.603 0.000 1.440 171 A CA -0.349 51.251 52.037 -0.730 0.000 1.068 171 A CB -0.096 18.297 19.000 -1.012 0.000 1.163 171 A HN 0.634 nan 8.150 nan 0.000 0.510 172 H N -0.254 118.722 119.070 -0.157 0.000 2.502 172 H HA -0.129 4.427 4.556 -0.000 0.000 0.283 172 H C 1.515 176.844 175.328 0.002 0.000 1.015 172 H CA 1.294 57.319 56.048 -0.038 0.000 1.298 172 H CB -0.403 29.411 29.762 0.086 0.000 1.411 172 H HN 0.915 nan 8.280 nan 0.000 0.556 173 W N 1.686 122.747 121.300 -0.399 0.000 2.453 173 W HA 0.156 4.816 4.660 -0.000 0.000 0.289 173 W C 0.768 177.228 176.519 -0.098 0.000 1.215 173 W CA -0.418 56.803 57.345 -0.205 0.000 1.297 173 W CB -0.750 28.549 29.460 -0.269 0.000 1.113 173 W HN 0.109 nan 8.180 nan 0.000 0.551 174 C N 6.025 124.856 119.300 -0.781 0.000 2.555 174 C HA 0.358 4.818 4.460 -0.000 0.000 0.385 174 C C 1.053 175.863 174.990 -0.299 0.000 1.296 174 C CA -1.047 57.640 59.018 -0.551 0.000 1.757 174 C CB -1.087 26.140 27.740 -0.855 0.000 2.445 174 C HN 0.283 nan 8.230 nan 0.000 0.571 175 R N 3.926 124.312 120.500 -0.189 0.000 2.541 175 R HA 0.696 5.035 4.340 -0.000 0.000 0.254 175 R C 0.046 176.208 176.300 -0.230 0.000 1.130 175 R CA -0.250 55.702 56.100 -0.246 0.000 1.152 175 R CB 0.405 30.461 30.300 -0.406 0.000 1.222 175 R HN 0.804 nan 8.270 nan 0.000 0.579 176 T N -2.773 111.632 114.554 -0.249 0.000 2.916 176 T HA 0.537 4.887 4.350 -0.000 0.000 0.305 176 T C -0.385 174.252 174.700 -0.105 0.000 1.119 176 T CA -0.909 61.115 62.100 -0.126 0.000 1.008 176 T CB 1.589 70.405 68.868 -0.087 0.000 1.129 176 T HN 0.494 nan 8.240 nan 0.000 0.480 177 V N -0.698 119.238 119.914 0.036 0.000 2.789 177 V HA 0.996 5.116 4.120 -0.000 0.000 0.311 177 V C 0.340 176.487 176.094 0.088 0.000 1.073 177 V CA -0.746 61.614 62.300 0.100 0.000 0.921 177 V CB 1.467 33.453 31.823 0.272 0.000 1.009 177 V HN 1.356 nan 8.190 nan 0.000 0.426 178 G N 2.568 111.395 108.800 0.045 0.000 2.420 178 G HA2 0.687 4.647 3.960 -0.000 0.000 0.284 178 G HA3 0.687 4.647 3.960 -0.000 0.000 0.284 178 G C -0.965 173.936 174.900 0.003 0.000 1.177 178 G CA -0.560 44.539 45.100 -0.001 0.000 0.841 178 G HN 1.127 nan 8.290 nan 0.000 0.527 179 I N 0.302 120.851 120.570 -0.035 0.000 2.722 179 I HA 0.586 4.756 4.170 -0.000 0.000 0.292 179 I C -0.131 175.942 176.117 -0.073 0.000 1.267 179 I CA -0.158 61.114 61.300 -0.047 0.000 1.036 179 I CB 1.991 39.970 38.000 -0.036 0.000 1.281 179 I HN 1.198 nan 8.210 nan 0.000 0.423 180 G N 4.480 113.243 108.800 -0.063 0.000 2.798 180 G HA2 0.384 4.343 3.960 -0.000 0.000 0.658 180 G HA3 0.384 4.343 3.960 -0.000 0.000 0.658 180 G C 0.342 175.271 174.900 0.050 0.000 1.148 180 G CA -0.276 44.800 45.100 -0.040 0.000 1.200 180 G HN 1.757 nan 8.290 nan 0.000 0.519 181 G N -0.446 108.382 108.800 0.047 0.000 2.316 181 G HA2 0.025 3.985 3.960 -0.000 0.000 0.203 181 G HA3 0.025 3.985 3.960 -0.000 0.000 0.203 181 G C 0.415 175.285 174.900 -0.051 0.000 0.999 181 G CA 0.132 45.333 45.100 0.169 0.000 0.649 181 G HN 1.525 nan 8.290 nan 0.000 0.489 182 L N 3.236 124.389 121.223 -0.117 0.000 2.534 182 L HA 0.484 4.823 4.340 -0.000 0.000 0.271 182 L C 0.740 177.325 176.870 -0.476 0.000 1.178 182 L CA 0.412 55.156 54.840 -0.160 0.000 0.907 182 L CB -0.367 41.648 42.059 -0.074 0.000 1.164 182 L HN 0.333 nan 8.230 nan 0.000 0.482 183 H N 3.940 122.985 119.070 -0.040 0.000 2.959 183 H HA 0.372 4.928 4.556 -0.000 0.000 0.296 183 H C -1.863 173.423 175.328 -0.070 0.000 1.421 183 H CA -1.384 54.630 56.048 -0.057 0.000 1.206 183 H CB 1.003 30.721 29.762 -0.073 0.000 1.891 183 H HN 0.141 nan 8.280 nan 0.000 0.573 184 P HA -0.028 nan 4.420 nan 0.000 0.224 184 P C 0.210 177.499 177.300 -0.018 0.000 1.157 184 P CA 1.093 64.201 63.100 0.013 0.000 0.799 184 P CB -0.019 31.689 31.700 0.015 0.000 0.809 185 D N -0.424 119.966 120.400 -0.017 0.000 2.663 185 D HA 0.008 4.648 4.640 -0.000 0.000 0.243 185 D C 0.706 176.952 176.300 -0.089 0.000 1.218 185 D CA -0.148 53.824 54.000 -0.047 0.000 0.846 185 D CB -1.181 39.582 40.800 -0.062 0.000 1.014 185 D HN 0.091 nan 8.370 nan 0.000 0.476 186 N N -0.454 118.180 118.700 -0.110 0.000 2.032 186 N HA -0.105 4.635 4.740 -0.000 0.000 0.240 186 N C 0.226 175.637 175.510 -0.164 0.000 1.470 186 N CA -0.257 52.688 53.050 -0.176 0.000 1.093 186 N CB -1.245 37.055 38.487 -0.312 0.000 1.157 186 N HN 0.327 nan 8.380 nan 0.000 0.691 187 I N 1.747 122.229 120.570 -0.147 0.000 2.333 187 I HA -0.123 4.047 4.170 -0.000 0.000 0.246 187 I C 2.030 177.972 176.117 -0.292 0.000 1.106 187 I CA 1.505 62.713 61.300 -0.152 0.000 1.411 187 I CB 0.081 38.019 38.000 -0.104 0.000 1.082 187 I HN 0.275 nan 8.210 nan 0.000 0.420 188 E N 0.774 120.731 120.200 -0.406 0.000 2.204 188 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 188 E C 2.123 178.224 176.600 -0.831 0.000 0.989 188 E CA 0.783 56.765 56.400 -0.697 0.000 0.824 188 E CB -0.376 28.953 29.700 -0.619 0.000 0.756 188 E HN 0.453 nan 8.360 nan 0.000 0.477 189 R N 1.436 121.556 120.500 -0.632 0.000 2.073 189 R HA -0.078 4.261 4.340 -0.000 0.000 0.229 189 R C 2.131 178.361 176.300 -0.117 0.000 1.120 189 R CA 1.111 57.062 56.100 -0.249 0.000 0.967 189 R CB -0.074 30.181 30.300 -0.076 0.000 0.862 189 R HN 0.072 nan 8.270 nan 0.000 0.436 190 V N 1.020 120.859 119.914 -0.126 0.000 2.548 190 V HA -0.151 3.969 4.120 -0.000 0.000 0.249 190 V C 2.108 178.123 176.094 -0.131 0.000 1.055 190 V CA 0.868 63.139 62.300 -0.048 0.000 1.065 190 V CB -0.299 31.558 31.823 0.057 0.000 0.681 190 V HN 0.297 nan 8.190 nan 0.000 0.462 191 L N -0.802 120.262 121.223 -0.265 0.000 2.141 191 L HA -0.111 4.228 4.340 -0.000 0.000 0.209 191 L C 2.107 178.829 176.870 -0.246 0.000 1.094 191 L CA 1.919 56.560 54.840 -0.332 0.000 0.763 191 L CB -0.974 40.693 42.059 -0.654 0.000 0.908 191 L HN 0.546 nan 8.230 nan 0.000 0.437 192 Y N 0.183 120.242 120.300 -0.402 0.000 2.262 192 Y HA -0.149 4.400 4.550 -0.000 0.000 0.295 192 Y C 2.337 178.214 175.900 -0.038 0.000 1.121 192 Y CA 1.062 59.102 58.100 -0.100 0.000 1.144 192 Y CB 0.201 38.690 38.460 0.047 0.000 1.043 192 Y HN 0.395 nan 8.280 nan 0.000 0.528 193 Q N -1.139 118.474 119.800 -0.311 0.000 2.360 193 Q HA 0.118 4.458 4.340 -0.000 0.000 0.202 193 Q C 0.250 176.113 176.000 -0.228 0.000 0.915 193 Q CA 0.107 55.662 55.803 -0.413 0.000 0.943 193 Q CB -0.062 28.437 28.738 -0.398 0.000 1.064 193 Q HN 0.310 nan 8.270 nan 0.000 0.511 194 C N 2.847 122.061 119.300 -0.142 0.000 2.694 194 C HA 0.449 4.908 4.460 -0.000 0.000 0.517 194 C C 0.267 175.227 174.990 -0.050 0.000 1.184 194 C CA -0.860 58.099 59.018 -0.098 0.000 1.476 194 C CB -1.286 26.402 27.740 -0.086 0.000 1.743 194 C HN 0.425 nan 8.230 nan 0.000 0.612 195 V N 0.223 120.123 119.914 -0.023 0.000 2.815 195 V HA 0.738 4.857 4.120 -0.000 0.000 0.314 195 V C 0.315 176.453 176.094 0.074 0.000 1.064 195 V CA -0.558 61.771 62.300 0.049 0.000 0.952 195 V CB 1.518 33.407 31.823 0.110 0.000 1.020 195 V HN 0.356 nan 8.190 nan 0.000 0.439 196 S N 1.866 117.596 115.700 0.050 0.000 2.580 196 S HA 0.075 4.545 4.470 -0.000 0.000 0.261 196 S C 1.374 175.962 174.600 -0.021 0.000 1.366 196 S CA 0.634 58.834 58.200 0.001 0.000 0.996 196 S CB 0.922 64.111 63.200 -0.019 0.000 0.902 196 S HN 0.997 nan 8.310 nan 0.000 0.566 197 S N 1.369 117.010 115.700 -0.098 0.000 2.481 197 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 197 S C 0.959 175.353 174.600 -0.342 0.000 0.996 197 S CA 1.133 59.202 58.200 -0.219 0.000 0.942 197 S CB -0.686 62.413 63.200 -0.168 0.000 0.768 197 S HN 0.871 nan 8.310 nan 0.000 0.520 198 N N -0.093 118.483 118.700 -0.206 0.000 2.380 198 N HA 0.358 5.098 4.740 -0.000 0.000 0.255 198 N C 0.854 176.292 175.510 -0.119 0.000 1.158 198 N CA 0.338 53.276 53.050 -0.187 0.000 0.878 198 N CB 0.095 38.517 38.487 -0.109 0.000 1.138 198 N HN 0.103 nan 8.380 nan 0.000 0.509 199 G N 0.425 109.168 108.800 -0.095 0.000 2.230 199 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.270 199 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.270 199 G C 1.092 176.038 174.900 0.077 0.000 0.987 199 G CA 1.230 46.393 45.100 0.105 0.000 0.664 199 G HN 0.512 nan 8.290 nan 0.000 0.539 200 K N -0.653 119.762 120.400 0.026 0.000 2.211 200 K HA 0.072 4.392 4.320 -0.000 0.000 0.201 200 K C 1.440 178.058 176.600 0.030 0.000 1.052 200 K CA 0.592 56.893 56.287 0.024 0.000 0.973 200 K CB 0.249 32.750 32.500 0.003 0.000 0.766 200 K HN 0.406 nan 8.250 nan 0.000 0.466 201 R N 1.065 121.579 120.500 0.023 0.000 2.561 201 R HA 0.186 4.526 4.340 -0.000 0.000 0.297 201 R C -0.947 175.367 176.300 0.023 0.000 0.969 201 R CA -0.281 55.828 56.100 0.014 0.000 0.879 201 R CB 1.682 31.973 30.300 -0.014 0.000 1.178 201 R HN 0.009 nan 8.270 nan 0.000 0.445 202 S N 3.836 119.553 115.700 0.027 0.000 2.823 202 S HA 0.504 4.973 4.470 -0.000 0.000 0.316 202 S C -0.007 174.594 174.600 0.002 0.000 1.116 202 S CA -0.988 57.229 58.200 0.027 0.000 0.911 202 S CB 0.719 63.958 63.200 0.064 0.000 1.276 202 S HN 0.493 nan 8.310 nan 0.000 0.565 203 L N 1.567 122.790 121.223 -0.001 0.000 2.416 203 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 203 L C 0.753 177.623 176.870 -0.001 0.000 1.161 203 L CA -0.123 54.708 54.840 -0.015 0.000 0.845 203 L CB 0.283 42.331 42.059 -0.018 0.000 1.119 203 L HN 0.753 nan 8.230 nan 0.000 0.464 204 D N 1.896 122.278 120.400 -0.031 0.000 2.323 204 D HA 0.118 4.758 4.640 -0.000 0.000 0.209 204 D C 0.676 177.003 176.300 0.044 0.000 0.973 204 D CA 0.560 54.547 54.000 -0.022 0.000 0.874 204 D CB 0.964 41.679 40.800 -0.142 0.000 0.930 204 D HN 0.737 nan 8.370 nan 0.000 0.521 205 G N 0.007 108.838 108.800 0.052 0.000 2.441 205 G HA2 0.471 4.430 3.960 -0.000 0.000 0.294 205 G HA3 0.471 4.430 3.960 -0.000 0.000 0.294 205 G C -1.782 173.179 174.900 0.102 0.000 1.393 205 G CA -0.732 44.432 45.100 0.106 0.000 0.796 205 G HN -0.014 nan 8.290 nan 0.000 0.494 206 I N -0.176 120.461 120.570 0.113 0.000 2.509 206 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 206 I C -0.411 175.768 176.117 0.103 0.000 1.020 206 I CA -0.663 60.684 61.300 0.078 0.000 1.088 206 I CB 2.207 40.224 38.000 0.028 0.000 1.267 206 I HN 0.426 nan 8.210 nan 0.000 0.430 207 C N 6.196 125.525 119.300 0.049 0.000 2.285 207 C HA 0.523 4.983 4.460 -0.000 0.000 0.335 207 C C 0.290 175.229 174.990 -0.085 0.000 1.267 207 C CA -0.603 58.388 59.018 -0.045 0.000 1.762 207 C CB 0.311 27.969 27.740 -0.137 0.000 2.365 207 C HN 0.479 nan 8.230 nan 0.000 0.527 208 V N 3.646 123.507 119.914 -0.088 0.000 2.555 208 V HA 0.794 4.914 4.120 -0.000 0.000 0.302 208 V C -0.191 175.841 176.094 -0.104 0.000 1.038 208 V CA -0.365 61.873 62.300 -0.103 0.000 0.887 208 V CB 1.317 33.101 31.823 -0.064 0.000 0.991 208 V HN 0.636 nan 8.190 nan 0.000 0.434 209 V N 2.440 122.294 119.914 -0.100 0.000 3.671 209 V HA 0.059 4.179 4.120 -0.000 0.000 0.202 209 V C 1.946 178.024 176.094 -0.027 0.000 1.188 209 V CA 1.182 63.438 62.300 -0.074 0.000 1.325 209 V CB 0.636 32.409 31.823 -0.083 0.000 1.470 209 V HN 0.990 nan 8.190 nan 0.000 0.520 210 S N -0.264 115.438 115.700 0.004 0.000 2.881 210 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 210 S C 0.646 175.306 174.600 0.100 0.000 0.965 210 S CA 1.236 59.470 58.200 0.056 0.000 0.998 210 S CB -0.246 63.013 63.200 0.097 0.000 0.795 210 S HN 0.666 nan 8.310 nan 0.000 0.518 211 D N 0.091 120.532 120.400 0.068 0.000 2.403 211 D HA 0.350 4.989 4.640 -0.000 0.000 0.280 211 D C 1.435 177.758 176.300 0.038 0.000 1.091 211 D CA 0.038 54.095 54.000 0.094 0.000 0.884 211 D CB 0.309 41.188 40.800 0.132 0.000 1.427 211 D HN 0.366 nan 8.370 nan 0.000 0.504 212 I N 0.454 121.031 120.570 0.010 0.000 2.685 212 I HA -0.045 4.125 4.170 -0.000 0.000 0.251 212 I C 1.804 177.917 176.117 -0.007 0.000 1.102 212 I CA 0.052 61.350 61.300 -0.004 0.000 1.442 212 I CB 0.092 38.082 38.000 -0.017 0.000 1.194 212 I HN 0.008 nan 8.210 nan 0.000 0.448 213 I N 1.852 122.415 120.570 -0.011 0.000 2.113 213 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 213 I C 2.389 178.505 176.117 -0.002 0.000 1.064 213 I CA 1.859 63.153 61.300 -0.010 0.000 1.320 213 I CB -1.260 36.731 38.000 -0.015 0.000 1.028 213 I HN 0.182 nan 8.210 nan 0.000 0.406 214 A N -0.016 122.807 122.820 0.004 0.000 2.291 214 A HA 0.099 4.419 4.320 -0.000 0.000 0.220 214 A C 1.159 178.744 177.584 0.002 0.000 1.262 214 A CA 0.143 52.182 52.037 0.004 0.000 0.867 214 A CB -0.422 18.582 19.000 0.007 0.000 0.888 214 A HN 0.333 nan 8.150 nan 0.000 0.487 215 S N -0.704 114.997 115.700 0.001 0.000 2.554 215 S HA 0.483 4.953 4.470 -0.000 0.000 0.278 215 S C 0.964 175.563 174.600 -0.002 0.000 1.242 215 S CA -0.661 57.538 58.200 -0.001 0.000 1.051 215 S CB 0.521 63.721 63.200 -0.000 0.000 0.986 215 S HN 0.348 nan 8.310 nan 0.000 0.502 216 L N 2.279 123.500 121.223 -0.003 0.000 2.291 216 L HA 0.224 4.564 4.340 -0.000 0.000 0.214 216 L C 0.624 177.494 176.870 -0.001 0.000 1.120 216 L CA 0.614 55.453 54.840 -0.002 0.000 0.799 216 L CB -0.099 41.958 42.059 -0.004 0.000 0.925 216 L HN 0.562 nan 8.230 nan 0.000 0.446 217 D N -0.299 120.100 120.400 -0.002 0.000 2.363 217 D HA 0.309 4.949 4.640 -0.000 0.000 0.258 217 D C 0.613 176.910 176.300 -0.005 0.000 1.259 217 D CA -0.096 53.902 54.000 -0.002 0.000 0.921 217 D CB 1.430 42.229 40.800 -0.002 0.000 1.201 217 D HN 0.008 nan 8.370 nan 0.000 0.524 218 A N 2.362 125.178 122.820 -0.007 0.000 2.119 218 A HA 0.226 4.546 4.320 -0.000 0.000 0.216 218 A C 2.106 179.680 177.584 -0.016 0.000 1.152 218 A CA 1.291 53.321 52.037 -0.012 0.000 0.708 218 A CB -0.137 18.852 19.000 -0.018 0.000 0.805 218 A HN 0.538 nan 8.150 nan 0.000 0.460 219 A N 0.643 123.454 122.820 -0.014 0.000 1.865 219 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 219 A C 2.155 179.733 177.584 -0.009 0.000 1.191 219 A CA 2.046 54.075 52.037 -0.014 0.000 0.623 219 A CB -0.426 18.569 19.000 -0.007 0.000 0.826 219 A HN 0.548 nan 8.150 nan 0.000 0.444 220 K N -0.964 119.433 120.400 -0.005 0.000 2.076 220 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 220 K C 2.192 178.791 176.600 -0.001 0.000 1.051 220 K CA 1.363 57.649 56.287 -0.002 0.000 0.949 220 K CB -0.248 32.251 32.500 -0.001 0.000 0.726 220 K HN 0.333 nan 8.250 nan 0.000 0.443 221 S N 0.403 116.102 115.700 -0.002 0.000 2.400 221 S HA -0.099 4.371 4.470 -0.000 0.000 0.232 221 S C 1.648 176.249 174.600 0.002 0.000 1.025 221 S CA 1.822 60.023 58.200 0.002 0.000 0.993 221 S CB -0.249 62.953 63.200 0.004 0.000 0.808 221 S HN 0.498 nan 8.310 nan 0.000 0.478 222 T N 1.725 116.276 114.554 -0.005 0.000 2.812 222 T HA -0.021 4.329 4.350 -0.000 0.000 0.264 222 T C 2.348 177.047 174.700 -0.002 0.000 1.042 222 T CA 1.643 63.739 62.100 -0.007 0.000 1.140 222 T CB -0.555 68.301 68.868 -0.020 0.000 0.870 222 T HN 0.586 nan 8.240 nan 0.000 0.445 223 K N 1.735 122.135 120.400 -0.001 0.000 2.001 223 K HA -0.076 4.244 4.320 -0.000 0.000 0.214 223 K C 2.156 178.761 176.600 0.008 0.000 1.050 223 K CA 1.865 58.154 56.287 0.004 0.000 0.934 223 K CB -1.486 31.016 32.500 0.003 0.000 0.718 223 K HN 0.471 nan 8.250 nan 0.000 0.443 224 I N 0.588 121.162 120.570 0.008 0.000 2.145 224 I HA -0.289 3.881 4.170 -0.000 0.000 0.244 224 I C 2.464 178.590 176.117 0.014 0.000 1.075 224 I CA 1.552 62.859 61.300 0.011 0.000 1.332 224 I CB -0.157 37.849 38.000 0.010 0.000 1.033 224 I HN 0.273 nan 8.210 nan 0.000 0.410 225 L N -0.206 121.024 121.223 0.012 0.000 2.551 225 L HA -0.117 4.223 4.340 -0.000 0.000 0.228 225 L C 2.454 179.335 176.870 0.019 0.000 1.153 225 L CA 0.348 55.195 54.840 0.012 0.000 0.851 225 L CB -0.458 41.606 42.059 0.008 0.000 0.959 225 L HN 0.221 nan 8.230 nan 0.000 0.451 226 R N 0.044 120.556 120.500 0.020 0.000 2.105 226 R HA 0.088 4.428 4.340 -0.000 0.000 0.214 226 R C 2.253 178.574 176.300 0.035 0.000 1.091 226 R CA 1.026 57.142 56.100 0.027 0.000 1.007 226 R CB -0.892 29.421 30.300 0.020 0.000 0.912 226 R HN 0.281 nan 8.270 nan 0.000 0.450 227 G N 1.283 110.101 108.800 0.029 0.000 2.507 227 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 227 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 227 G C 1.225 176.156 174.900 0.051 0.000 1.119 227 G CA 0.777 45.898 45.100 0.033 0.000 0.751 227 G HN 0.116 nan 8.290 nan 0.000 0.574 228 L N 0.198 121.453 121.223 0.053 0.000 2.062 228 L HA 0.279 4.619 4.340 -0.000 0.000 0.202 228 L C 2.800 179.741 176.870 0.119 0.000 1.079 228 L CA 0.692 55.578 54.840 0.076 0.000 0.755 228 L CB -0.995 41.079 42.059 0.024 0.000 0.913 228 L HN 0.106 nan 8.230 nan 0.000 0.445 229 I N 0.656 121.271 120.570 0.075 0.000 2.181 229 I HA -0.345 3.825 4.170 -0.000 0.000 0.247 229 I C 0.975 177.178 176.117 0.143 0.000 1.081 229 I CA 2.051 63.405 61.300 0.090 0.000 1.340 229 I CB -0.360 37.674 38.000 0.057 0.000 1.036 229 I HN 0.512 nan 8.210 nan 0.000 0.417 230 D N -0.922 119.543 120.400 0.108 0.000 2.501 230 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 230 D C 0.560 176.894 176.300 0.056 0.000 1.202 230 D CA -0.331 53.722 54.000 0.088 0.000 0.829 230 D CB -0.037 40.798 40.800 0.058 0.000 1.023 230 D HN 0.191 nan 8.370 nan 0.000 0.499 231 K N -0.140 120.300 120.400 0.068 0.000 2.525 231 K HA 0.385 4.705 4.320 -0.000 0.000 0.262 231 K C -0.174 176.332 176.600 -0.156 0.000 1.049 231 K CA -0.250 56.031 56.287 -0.011 0.000 0.961 231 K CB 0.568 33.084 32.500 0.027 0.000 1.258 231 K HN -0.045 nan 8.250 nan 0.000 0.501 232 T N 0.535 114.865 114.554 -0.373 0.000 4.734 232 T HA 0.165 4.515 4.350 -0.000 0.000 0.261 232 T C -2.048 172.294 174.700 -0.597 0.000 0.927 232 T CA -0.468 61.251 62.100 -0.634 0.000 1.109 232 T CB -0.318 68.388 68.868 -0.269 0.000 0.866 232 T HN 0.636 nan 8.240 nan 0.000 0.473 233 D N 1.268 121.266 120.400 -0.670 0.000 2.484 233 D HA 0.151 4.791 4.640 -0.000 0.000 0.223 233 D C -1.635 174.636 176.300 -0.049 0.000 1.350 233 D CA -0.312 53.531 54.000 -0.262 0.000 0.940 233 D CB 0.277 40.989 40.800 -0.147 0.000 1.525 233 D HN 0.208 nan 8.370 nan 0.000 0.504 234 Y N 3.366 123.563 120.300 -0.172 0.000 2.817 234 Y HA 0.301 4.851 4.550 -0.000 0.000 0.339 234 Y C -0.133 175.756 175.900 -0.018 0.000 1.281 234 Y CA -0.906 57.178 58.100 -0.027 0.000 1.564 234 Y CB 0.085 38.453 38.460 -0.153 0.000 1.628 234 Y HN 0.017 nan 8.280 nan 0.000 0.489 235 K N 5.439 125.863 120.400 0.041 0.000 2.021 235 K HA -0.064 4.256 4.320 -0.000 0.000 0.238 235 K C 0.567 177.037 176.600 -0.218 0.000 1.149 235 K CA 0.172 56.376 56.287 -0.138 0.000 1.105 235 K CB -1.023 31.430 32.500 -0.078 0.000 1.246 235 K HN 0.678 nan 8.250 nan 0.000 0.307 236 F N -0.029 119.608 119.950 -0.521 0.000 2.797 236 F HA 0.188 4.714 4.527 -0.000 0.000 0.302 236 F C 0.366 176.044 175.800 -0.203 0.000 1.130 236 F CA -0.661 57.010 58.000 -0.548 0.000 1.387 236 F CB 0.406 38.831 39.000 -0.959 0.000 1.107 236 F HN -0.035 nan 8.300 nan 0.000 0.577 237 V N 1.224 120.844 119.914 -0.491 0.000 2.882 237 V HA 0.269 4.389 4.120 -0.000 0.000 0.295 237 V C -0.700 175.249 176.094 -0.241 0.000 1.273 237 V CA -0.920 61.194 62.300 -0.310 0.000 0.949 237 V CB 1.589 33.196 31.823 -0.362 0.000 1.071 237 V HN 0.106 nan 8.190 nan 0.000 0.432 238 N N 5.350 123.979 118.700 -0.117 0.000 2.944 238 N HA 0.238 4.978 4.740 -0.000 0.000 0.288 238 N C -0.541 174.929 175.510 -0.066 0.000 1.334 238 N CA 0.599 53.600 53.050 -0.081 0.000 1.063 238 N CB -0.753 37.704 38.487 -0.049 0.000 1.386 238 N HN 0.611 nan 8.380 nan 0.000 0.552 239 I N -1.350 119.156 120.570 -0.107 0.000 2.802 239 I HA 0.322 4.492 4.170 -0.000 0.000 0.298 239 I C 0.656 176.716 176.117 -0.096 0.000 1.176 239 I CA -1.529 59.728 61.300 -0.071 0.000 1.025 239 I CB 2.081 40.049 38.000 -0.053 0.000 1.243 239 I HN -0.009 nan 8.210 nan 0.000 0.424 240 G N 4.201 112.970 108.800 -0.051 0.000 2.340 240 G HA2 0.332 4.292 3.960 -0.000 0.000 0.245 240 G HA3 0.332 4.292 3.960 -0.000 0.000 0.245 240 G C 0.262 175.128 174.900 -0.057 0.000 1.294 240 G CA -0.094 44.977 45.100 -0.048 0.000 0.896 240 G HN 0.628 nan 8.290 nan 0.000 0.522 241 L N 2.119 123.301 121.223 -0.068 0.000 2.808 241 L HA 0.126 4.466 4.340 -0.000 0.000 0.246 241 L C 1.368 178.227 176.870 -0.018 0.000 1.153 241 L CA -0.202 54.605 54.840 -0.055 0.000 0.956 241 L CB -0.033 41.972 42.059 -0.089 0.000 1.270 241 L HN 0.603 nan 8.230 nan 0.000 0.528 242 S N -0.371 115.322 115.700 -0.012 0.000 2.558 242 S HA -0.007 4.463 4.470 -0.000 0.000 0.291 242 S C 0.490 175.102 174.600 0.020 0.000 1.306 242 S CA -0.332 57.872 58.200 0.007 0.000 1.056 242 S CB 0.151 63.359 63.200 0.013 0.000 0.836 242 S HN 0.148 nan 8.310 nan 0.000 0.504 243 T N 4.631 119.205 114.554 0.034 0.000 2.751 243 T HA 0.167 4.517 4.350 -0.000 0.000 0.290 243 T C 0.147 174.902 174.700 0.092 0.000 0.919 243 T CA -0.275 61.856 62.100 0.052 0.000 1.136 243 T CB -0.081 68.819 68.868 0.053 0.000 0.875 243 T HN 0.417 nan 8.240 nan 0.000 0.532 244 K N 3.517 124.003 120.400 0.143 0.000 2.185 244 K HA 0.327 4.647 4.320 -0.000 0.000 0.269 244 K C 0.586 177.344 176.600 0.263 0.000 0.987 244 K CA -0.640 55.753 56.287 0.177 0.000 0.865 244 K CB 1.772 34.315 32.500 0.071 0.000 1.090 244 K HN 0.315 nan 8.250 nan 0.000 0.450 245 N N 0.066 118.902 118.700 0.227 0.000 2.499 245 N HA 0.002 4.742 4.740 -0.000 0.000 0.182 245 N C -0.154 175.530 175.510 0.290 0.000 1.034 245 N CA 0.442 53.645 53.050 0.255 0.000 0.882 245 N CB 0.369 38.964 38.487 0.180 0.000 1.125 245 N HN 0.331 nan 8.380 nan 0.000 0.436 246 S N 2.148 117.980 115.700 0.220 0.000 2.537 246 S HA 0.101 4.570 4.470 -0.000 0.000 0.286 246 S C 0.070 174.741 174.600 0.119 0.000 1.299 246 S CA -0.398 57.908 58.200 0.176 0.000 1.067 246 S CB 0.118 63.387 63.200 0.114 0.000 0.864 246 S HN 0.120 nan 8.310 nan 0.000 0.494 247 L N 3.240 124.488 121.223 0.042 0.000 2.581 247 L HA -0.035 4.305 4.340 -0.000 0.000 0.299 247 L C 1.308 178.095 176.870 -0.137 0.000 1.261 247 L CA 0.949 55.735 54.840 -0.090 0.000 0.866 247 L CB -0.862 41.134 42.059 -0.105 0.000 1.113 247 L HN 0.589 nan 8.230 nan 0.000 0.514 248 T N 2.095 116.517 114.554 -0.220 0.000 2.902 248 T HA 0.148 4.498 4.350 -0.000 0.000 0.301 248 T C 0.678 175.213 174.700 -0.274 0.000 1.012 248 T CA -0.172 61.697 62.100 -0.384 0.000 1.151 248 T CB 0.231 68.915 68.868 -0.307 0.000 0.946 248 T HN 0.787 nan 8.240 nan 0.000 0.542 249 T N 1.067 115.443 114.554 -0.297 0.000 2.909 249 T HA 0.217 4.567 4.350 -0.000 0.000 0.286 249 T C 1.656 176.228 174.700 -0.213 0.000 1.002 249 T CA -0.737 61.240 62.100 -0.206 0.000 1.074 249 T CB 1.208 69.976 68.868 -0.167 0.000 0.984 249 T HN 0.411 nan 8.240 nan 0.000 0.495 250 T N 2.041 116.474 114.554 -0.202 0.000 2.737 250 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 250 T C 1.410 175.973 174.700 -0.229 0.000 1.040 250 T CA 1.810 63.758 62.100 -0.253 0.000 1.142 250 T CB -0.600 68.121 68.868 -0.245 0.000 0.861 250 T HN 0.723 nan 8.240 nan 0.000 0.456 251 D N 1.088 121.385 120.400 -0.172 0.000 2.137 251 D HA -0.122 4.518 4.640 -0.000 0.000 0.189 251 D C 2.149 178.365 176.300 -0.141 0.000 0.998 251 D CA 1.375 55.292 54.000 -0.139 0.000 0.839 251 D CB -0.411 40.324 40.800 -0.108 0.000 0.962 251 D HN 0.555 nan 8.370 nan 0.000 0.446 252 E N 0.519 120.624 120.200 -0.159 0.000 2.021 252 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 252 E C 2.427 178.946 176.600 -0.135 0.000 1.015 252 E CA 0.771 57.077 56.400 -0.157 0.000 0.824 252 E CB -0.257 29.286 29.700 -0.261 0.000 0.762 252 E HN 0.287 nan 8.360 nan 0.000 0.454 253 I N 1.097 121.565 120.570 -0.170 0.000 2.479 253 I HA -0.350 3.819 4.170 -0.000 0.000 0.258 253 I C 2.682 178.721 176.117 -0.129 0.000 1.165 253 I CA 1.250 62.468 61.300 -0.137 0.000 1.422 253 I CB -0.430 37.438 38.000 -0.220 0.000 1.087 253 I HN 0.270 nan 8.210 nan 0.000 0.441 254 Q N 0.338 120.040 119.800 -0.164 0.000 2.049 254 Q HA -0.191 4.149 4.340 -0.000 0.000 0.198 254 Q C 2.385 178.349 176.000 -0.060 0.000 0.971 254 Q CA 1.892 57.619 55.803 -0.126 0.000 0.833 254 Q CB 0.022 28.675 28.738 -0.141 0.000 0.896 254 Q HN 0.309 nan 8.270 nan 0.000 0.434 255 S N -0.367 115.299 115.700 -0.058 0.000 2.428 255 S HA -0.030 4.440 4.470 -0.000 0.000 0.230 255 S C 1.792 176.384 174.600 -0.013 0.000 1.014 255 S CA 0.397 58.577 58.200 -0.032 0.000 0.957 255 S CB -0.099 63.082 63.200 -0.032 0.000 0.784 255 S HN 0.367 nan 8.310 nan 0.000 0.499 256 I N 2.004 122.571 120.570 -0.006 0.000 2.179 256 I HA -0.147 4.022 4.170 -0.000 0.000 0.242 256 I C 2.171 178.305 176.117 0.027 0.000 1.088 256 I CA 1.316 62.627 61.300 0.020 0.000 1.357 256 I CB -1.354 36.668 38.000 0.037 0.000 1.051 256 I HN 0.362 nan 8.210 nan 0.000 0.409 257 I N 0.385 120.978 120.570 0.039 0.000 2.202 257 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 257 I C 2.582 178.711 176.117 0.020 0.000 1.091 257 I CA 1.102 62.434 61.300 0.053 0.000 1.368 257 I CB -0.459 37.601 38.000 0.100 0.000 1.058 257 I HN 0.134 nan 8.210 nan 0.000 0.410 258 S N 0.953 116.655 115.700 0.004 0.000 2.383 258 S HA -0.173 4.296 4.470 -0.000 0.000 0.229 258 S C 1.781 176.370 174.600 -0.018 0.000 1.030 258 S CA 1.391 59.585 58.200 -0.009 0.000 1.002 258 S CB -0.348 62.842 63.200 -0.016 0.000 0.829 258 S HN 0.443 nan 8.310 nan 0.000 0.467 259 N N 0.969 119.657 118.700 -0.019 0.000 2.148 259 N HA -0.064 4.676 4.740 -0.000 0.000 0.186 259 N C 2.144 177.615 175.510 -0.065 0.000 1.031 259 N CA 1.843 54.869 53.050 -0.040 0.000 0.848 259 N CB -0.875 37.596 38.487 -0.028 0.000 1.005 259 N HN 0.617 nan 8.380 nan 0.000 0.427 260 T N -0.772 113.760 114.554 -0.037 0.000 2.977 260 T HA -0.004 4.346 4.350 -0.000 0.000 0.271 260 T C 2.077 176.759 174.700 -0.030 0.000 1.105 260 T CA 0.713 62.792 62.100 -0.036 0.000 1.116 260 T CB -0.220 68.652 68.868 0.007 0.000 0.878 260 T HN 0.067 nan 8.240 nan 0.000 0.509 261 L N -0.140 121.069 121.223 -0.023 0.000 2.145 261 L HA 0.246 4.586 4.340 -0.000 0.000 0.201 261 L C 2.979 179.832 176.870 -0.028 0.000 1.075 261 L CA 0.999 55.828 54.840 -0.017 0.000 0.773 261 L CB -0.359 41.693 42.059 -0.012 0.000 0.936 261 L HN 0.164 nan 8.230 nan 0.000 0.451 262 K N 0.231 120.608 120.400 -0.039 0.000 2.103 262 K HA -0.215 4.104 4.320 -0.000 0.000 0.207 262 K C 1.959 178.522 176.600 -0.063 0.000 1.048 262 K CA 1.584 57.846 56.287 -0.041 0.000 0.930 262 K CB -0.035 32.440 32.500 -0.042 0.000 0.716 262 K HN 0.316 nan 8.250 nan 0.000 0.444 263 A N 0.715 123.461 122.820 -0.123 0.000 1.903 263 A HA -0.035 4.285 4.320 -0.000 0.000 0.213 263 A C 0.684 178.211 177.584 -0.095 0.000 1.185 263 A CA 0.895 52.805 52.037 -0.212 0.000 0.628 263 A CB -0.197 18.474 19.000 -0.549 0.000 0.830 263 A HN 0.510 nan 8.150 nan 0.000 0.446 264 R N -0.954 119.514 120.500 -0.052 0.000 2.994 264 R HA -0.111 4.229 4.340 -0.000 0.000 0.267 264 R C -2.726 173.597 176.300 0.039 0.000 0.914 264 R CA 0.367 56.471 56.100 0.006 0.000 0.668 264 R CB -1.845 28.469 30.300 0.024 0.000 1.524 264 R HN 0.267 nan 8.270 nan 0.000 0.478 265 P HA 0.017 nan 4.420 nan 0.000 0.271 265 P C -0.503 176.862 177.300 0.109 0.000 1.216 265 P CA -0.537 62.625 63.100 0.104 0.000 0.776 265 P CB 0.581 32.336 31.700 0.092 0.000 0.881 266 L N 5.303 126.605 121.223 0.131 0.000 2.315 266 L HA 0.257 4.597 4.340 -0.000 0.000 0.283 266 L C -0.896 176.053 176.870 0.130 0.000 1.089 266 L CA -0.061 54.854 54.840 0.126 0.000 0.833 266 L CB 0.196 42.331 42.059 0.126 0.000 1.170 266 L HN 0.046 nan 8.230 nan 0.000 0.442 267 V N 6.269 126.255 119.914 0.119 0.000 2.326 267 V HA 0.332 4.452 4.120 -0.000 0.000 0.281 267 V C 0.048 176.191 176.094 0.083 0.000 1.015 267 V CA -0.563 61.776 62.300 0.065 0.000 0.823 267 V CB 1.220 33.075 31.823 0.053 0.000 1.009 267 V HN 0.839 nan 8.190 nan 0.000 0.436 268 Q N 3.578 123.393 119.800 0.026 0.000 2.286 268 Q HA 0.318 4.658 4.340 -0.000 0.000 0.257 268 Q C -1.033 174.934 176.000 -0.055 0.000 0.941 268 Q CA -0.392 55.450 55.803 0.065 0.000 0.912 268 Q CB 0.613 29.420 28.738 0.115 0.000 1.192 268 Q HN 0.786 nan 8.270 nan 0.000 0.410 269 H N 3.882 122.962 119.070 0.017 0.000 2.691 269 H HA 0.318 4.874 4.556 -0.000 0.000 0.281 269 H C -0.984 174.357 175.328 0.023 0.000 1.121 269 H CA -0.409 55.648 56.048 0.016 0.000 1.254 269 H CB 0.407 30.175 29.762 0.009 0.000 1.390 269 H HN 0.534 nan 8.280 nan 0.000 0.491 270 I N 2.957 123.578 120.570 0.085 0.000 2.281 270 I HA 0.210 4.380 4.170 -0.000 0.000 0.293 270 I C 0.432 176.599 176.117 0.084 0.000 1.085 270 I CA 0.312 61.662 61.300 0.082 0.000 1.257 270 I CB 0.628 38.667 38.000 0.065 0.000 1.430 270 I HN 0.487 nan 8.210 nan 0.000 0.489 271 T N 4.213 118.834 114.554 0.112 0.000 2.894 271 T HA 0.430 4.780 4.350 -0.000 0.000 0.309 271 T C -0.299 174.459 174.700 0.096 0.000 1.208 271 T CA -0.958 61.219 62.100 0.128 0.000 1.016 271 T CB 0.794 69.847 68.868 0.309 0.000 1.192 271 T HN 0.617 nan 8.240 nan 0.000 0.491 272 N N 2.019 120.764 118.700 0.074 0.000 2.146 272 N HA 0.172 4.912 4.740 -0.000 0.000 0.215 272 N C 1.179 176.728 175.510 0.066 0.000 1.313 272 N CA 0.722 53.806 53.050 0.056 0.000 0.877 272 N CB 0.202 38.712 38.487 0.038 0.000 1.076 272 N HN 0.779 nan 8.380 nan 0.000 0.437 273 K N -0.469 119.960 120.400 0.047 0.000 2.314 273 K HA 0.141 4.461 4.320 -0.000 0.000 0.198 273 K C 1.877 178.503 176.600 0.043 0.000 1.045 273 K CA 0.945 57.254 56.287 0.036 0.000 0.988 273 K CB -0.807 31.708 32.500 0.025 0.000 0.783 273 K HN 0.394 nan 8.250 nan 0.000 0.484 274 V N 1.047 121.000 119.914 0.064 0.000 2.216 274 V HA -0.281 3.839 4.120 -0.000 0.000 0.243 274 V C 2.418 178.594 176.094 0.138 0.000 1.044 274 V CA 1.922 64.274 62.300 0.088 0.000 0.995 274 V CB -0.573 31.303 31.823 0.088 0.000 0.633 274 V HN 0.848 nan 8.190 nan 0.000 0.446 275 H N -0.393 118.710 119.070 0.056 0.000 2.557 275 H HA -0.148 4.408 4.556 -0.000 0.000 0.287 275 H C 2.227 177.579 175.328 0.040 0.000 1.043 275 H CA 0.821 56.903 56.048 0.056 0.000 1.226 275 H CB 0.216 29.969 29.762 -0.015 0.000 1.361 275 H HN 0.483 nan 8.280 nan 0.000 0.592 276 Q N 0.948 120.692 119.800 -0.092 0.000 1.985 276 Q HA -0.199 4.141 4.340 -0.000 0.000 0.207 276 Q C 2.082 177.951 176.000 -0.219 0.000 0.996 276 Q CA 1.937 57.634 55.803 -0.175 0.000 0.851 276 Q CB -0.471 28.228 28.738 -0.064 0.000 0.921 276 Q HN 0.566 nan 8.270 nan 0.000 0.418 277 N N -0.199 118.447 118.700 -0.089 0.000 2.051 277 N HA -0.157 4.583 4.740 -0.000 0.000 0.192 277 N C 1.627 177.138 175.510 0.001 0.000 1.049 277 N CA 0.876 53.893 53.050 -0.055 0.000 0.845 277 N CB -0.366 38.112 38.487 -0.016 0.000 1.031 277 N HN 0.078 nan 8.380 nan 0.000 0.425 278 F N 1.318 121.198 119.950 -0.117 0.000 2.077 278 F HA -0.265 4.262 4.527 -0.000 0.000 0.292 278 F C 2.163 177.910 175.800 -0.088 0.000 1.120 278 F CA 2.187 60.155 58.000 -0.054 0.000 1.246 278 F CB -1.342 37.678 39.000 0.033 0.000 0.941 278 F HN 0.203 nan 8.300 nan 0.000 0.514 279 G N -1.169 107.506 108.800 -0.208 0.000 2.471 279 G HA2 0.005 3.965 3.960 -0.000 0.000 0.219 279 G HA3 0.005 3.965 3.960 -0.000 0.000 0.219 279 G C 1.795 176.518 174.900 -0.295 0.000 1.125 279 G CA 1.037 45.949 45.100 -0.313 0.000 0.775 279 G HN 0.752 nan 8.290 nan 0.000 0.548 280 A N 1.455 124.071 122.820 -0.339 0.000 1.908 280 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 280 A C 2.184 179.716 177.584 -0.085 0.000 1.181 280 A CA 1.994 53.870 52.037 -0.267 0.000 0.627 280 A CB -0.523 18.363 19.000 -0.191 0.000 0.818 280 A HN 0.485 nan 8.150 nan 0.000 0.445 281 N N -0.292 118.408 118.700 0.001 0.000 2.109 281 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 281 N C 1.442 177.013 175.510 0.101 0.000 1.034 281 N CA 1.330 54.416 53.050 0.059 0.000 0.846 281 N CB -0.349 38.188 38.487 0.084 0.000 1.010 281 N HN 0.159 nan 8.380 nan 0.000 0.425 282 V N 1.146 121.150 119.914 0.149 0.000 2.511 282 V HA -0.311 3.809 4.120 -0.000 0.000 0.257 282 V C 1.962 178.135 176.094 0.133 0.000 1.088 282 V CA 1.930 64.329 62.300 0.165 0.000 1.098 282 V CB -1.087 30.831 31.823 0.158 0.000 0.674 282 V HN 0.466 nan 8.190 nan 0.000 0.470 283 T N 1.204 115.822 114.554 0.108 0.000 2.668 283 T HA -0.040 4.309 4.350 -0.000 0.000 0.258 283 T C 1.671 176.434 174.700 0.105 0.000 1.051 283 T CA 1.718 63.890 62.100 0.121 0.000 1.155 283 T CB -0.294 68.665 68.868 0.152 0.000 0.864 283 T HN 0.617 nan 8.240 nan 0.000 0.413 284 L N -0.203 121.073 121.223 0.089 0.000 2.627 284 L HA 0.517 4.856 4.340 -0.000 0.000 0.233 284 L C 2.192 179.139 176.870 0.128 0.000 1.144 284 L CA 0.289 55.184 54.840 0.092 0.000 0.892 284 L CB -0.610 41.491 42.059 0.069 0.000 1.039 284 L HN 0.146 nan 8.230 nan 0.000 0.442 285 A N 0.913 123.820 122.820 0.144 0.000 1.975 285 A HA 0.183 4.503 4.320 -0.000 0.000 0.215 285 A C 2.018 179.702 177.584 0.166 0.000 1.170 285 A CA 0.472 52.638 52.037 0.215 0.000 0.656 285 A CB -0.327 18.787 19.000 0.191 0.000 0.821 285 A HN 0.495 nan 8.150 nan 0.000 0.449 286 L N -0.177 121.115 121.223 0.115 0.000 2.645 286 L HA 0.171 4.511 4.340 -0.000 0.000 0.235 286 L C 1.380 178.285 176.870 0.058 0.000 1.150 286 L CA 0.408 55.292 54.840 0.074 0.000 0.911 286 L CB -0.778 41.328 42.059 0.078 0.000 1.077 286 L HN 0.549 nan 8.230 nan 0.000 0.438 287 G N 1.084 109.929 108.800 0.075 0.000 2.273 287 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 287 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 287 G C 0.167 175.098 174.900 0.053 0.000 1.047 287 G CA 0.507 45.643 45.100 0.060 0.000 0.869 287 G HN 0.530 nan 8.290 nan 0.000 0.502 288 S N -1.489 114.250 115.700 0.066 0.000 2.599 288 S HA 0.855 5.325 4.470 -0.000 0.000 0.287 288 S C -0.180 174.466 174.600 0.078 0.000 1.105 288 S CA 0.096 58.336 58.200 0.066 0.000 0.899 288 S CB 2.123 65.362 63.200 0.066 0.000 1.100 288 S HN 1.613 nan 8.310 nan 0.000 0.482 289 S N 1.128 116.875 115.700 0.079 0.000 2.499 289 S HA 0.752 5.222 4.470 -0.000 0.000 0.279 289 S C -2.921 171.739 174.600 0.100 0.000 1.219 289 S CA -1.219 57.028 58.200 0.079 0.000 1.062 289 S CB 0.658 63.899 63.200 0.069 0.000 0.978 289 S HN 0.647 nan 8.310 nan 0.000 0.489 290 P HA 0.651 nan 4.420 nan 0.000 0.296 290 P C -1.163 176.199 177.300 0.103 0.000 1.310 290 P CA -0.874 62.305 63.100 0.132 0.000 0.900 290 P CB 1.141 32.873 31.700 0.054 0.000 1.111 291 I N 2.509 123.169 120.570 0.150 0.000 2.499 291 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 291 I C -0.322 175.872 176.117 0.128 0.000 1.048 291 I CA -0.867 60.499 61.300 0.109 0.000 1.062 291 I CB 2.062 40.126 38.000 0.106 0.000 1.238 291 I HN 0.078 nan 8.210 nan 0.000 0.426 292 M N 5.524 125.167 119.600 0.071 0.000 2.589 292 M HA 0.233 4.713 4.480 -0.000 0.000 0.340 292 M C -0.131 176.210 176.300 0.068 0.000 1.308 292 M CA 0.157 55.500 55.300 0.072 0.000 1.332 292 M CB 0.613 33.219 32.600 0.010 0.000 1.219 292 M HN 0.386 nan 8.290 nan 0.000 0.467 293 S N 1.888 117.640 115.700 0.087 0.000 2.552 293 S HA 0.460 4.930 4.470 -0.000 0.000 0.314 293 S C 0.033 174.682 174.600 0.081 0.000 1.099 293 S CA -0.610 57.636 58.200 0.076 0.000 1.070 293 S CB 0.674 63.923 63.200 0.081 0.000 0.998 293 S HN 0.693 nan 8.310 nan 0.000 0.474 294 E N 4.108 124.348 120.200 0.067 0.000 2.609 294 E HA 0.245 4.595 4.350 -0.000 0.000 0.208 294 E C -0.904 175.733 176.600 0.062 0.000 1.013 294 E CA -0.062 56.379 56.400 0.069 0.000 1.093 294 E CB 0.392 30.128 29.700 0.062 0.000 1.129 294 E HN 0.526 nan 8.360 nan 0.000 0.450 295 I N 1.705 122.312 120.570 0.061 0.000 2.307 295 I HA 0.021 4.191 4.170 -0.000 0.000 0.289 295 I C 1.479 177.628 176.117 0.052 0.000 1.021 295 I CA -0.081 61.249 61.300 0.050 0.000 1.224 295 I CB 1.363 39.388 38.000 0.043 0.000 1.376 295 I HN 0.025 nan 8.210 nan 0.000 0.470 296 Q N 2.582 122.410 119.800 0.046 0.000 2.135 296 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 296 Q C 1.924 177.944 176.000 0.034 0.000 0.981 296 Q CA 2.064 57.893 55.803 0.044 0.000 0.856 296 Q CB 0.135 28.893 28.738 0.033 0.000 0.902 296 Q HN 0.858 nan 8.270 nan 0.000 0.425 297 S N 0.801 116.516 115.700 0.026 0.000 2.382 297 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 297 S C 1.628 176.238 174.600 0.018 0.000 1.027 297 S CA 1.097 59.307 58.200 0.017 0.000 0.991 297 S CB -0.226 62.982 63.200 0.015 0.000 0.823 297 S HN 0.377 nan 8.310 nan 0.000 0.469 298 E N 1.098 121.315 120.200 0.028 0.000 2.047 298 E HA -0.116 4.233 4.350 -0.000 0.000 0.191 298 E C 2.407 179.025 176.600 0.030 0.000 0.987 298 E CA 1.264 57.682 56.400 0.030 0.000 0.799 298 E CB -0.601 29.125 29.700 0.044 0.000 0.752 298 E HN 0.509 nan 8.360 nan 0.000 0.449 299 V N 1.011 120.956 119.914 0.051 0.000 2.257 299 V HA -0.381 3.739 4.120 -0.000 0.000 0.257 299 V C 1.865 177.945 176.094 -0.022 0.000 1.077 299 V CA 2.426 64.765 62.300 0.065 0.000 1.063 299 V CB -0.913 30.970 31.823 0.100 0.000 0.664 299 V HN 0.173 nan 8.190 nan 0.000 0.450 300 N N 0.470 119.152 118.700 -0.030 0.000 2.381 300 N HA -0.113 4.627 4.740 -0.000 0.000 0.182 300 N C 1.399 176.862 175.510 -0.079 0.000 1.025 300 N CA 1.528 54.536 53.050 -0.069 0.000 0.888 300 N CB -0.442 38.018 38.487 -0.044 0.000 0.965 300 N HN 0.726 nan 8.380 nan 0.000 0.438 301 D N -0.511 119.861 120.400 -0.047 0.000 2.162 301 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 301 D C 1.833 178.107 176.300 -0.044 0.000 0.964 301 D CA 0.241 54.218 54.000 -0.037 0.000 0.847 301 D CB -0.155 40.638 40.800 -0.012 0.000 0.988 301 D HN 0.082 nan 8.370 nan 0.000 0.480 302 L N 1.739 122.943 121.223 -0.031 0.000 1.955 302 L HA -0.099 4.241 4.340 -0.000 0.000 0.213 302 L C 2.592 179.402 176.870 -0.101 0.000 1.072 302 L CA 1.529 56.365 54.840 -0.007 0.000 0.755 302 L CB -1.554 40.554 42.059 0.082 0.000 0.888 302 L HN -0.028 nan 8.230 nan 0.000 0.432 303 A N -0.452 122.160 122.820 -0.347 0.000 1.940 303 A HA -0.321 3.999 4.320 -0.000 0.000 0.221 303 A C 2.458 179.869 177.584 -0.288 0.000 1.190 303 A CA 2.528 54.160 52.037 -0.676 0.000 0.647 303 A CB -1.134 17.249 19.000 -1.029 0.000 0.821 303 A HN 0.486 nan 8.150 nan 0.000 0.457 304 A N -0.778 121.932 122.820 -0.184 0.000 1.986 304 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 304 A C 1.139 178.680 177.584 -0.071 0.000 1.171 304 A CA 1.098 53.071 52.037 -0.106 0.000 0.640 304 A CB -0.674 18.282 19.000 -0.074 0.000 0.811 304 A HN 0.520 nan 8.150 nan 0.000 0.451 305 I N 0.222 120.763 120.570 -0.048 0.000 2.752 305 I HA 0.029 4.199 4.170 -0.000 0.000 0.287 305 I C -0.959 175.148 176.117 -0.017 0.000 1.188 305 I CA -1.186 60.108 61.300 -0.010 0.000 1.427 305 I CB 0.694 38.711 38.000 0.028 0.000 1.365 305 I HN 0.073 nan 8.210 nan 0.000 0.585 306 P HA -0.240 nan 4.420 nan 0.000 0.219 306 P C 0.342 177.509 177.300 -0.222 0.000 1.159 306 P CA 1.952 65.002 63.100 -0.083 0.000 0.944 306 P CB 0.035 31.756 31.700 0.035 0.000 0.792 307 H N -2.651 116.445 119.070 0.043 0.000 2.510 307 H HA 0.528 5.084 4.556 -0.000 0.000 0.266 307 H C 0.257 175.634 175.328 0.081 0.000 1.146 307 H CA -0.419 55.661 56.048 0.054 0.000 0.993 307 H CB -0.357 29.433 29.762 0.046 0.000 1.727 307 H HN 0.105 nan 8.280 nan 0.000 0.590 308 A N 0.660 123.573 122.820 0.155 0.000 2.615 308 A HA 0.238 4.558 4.320 -0.000 0.000 0.230 308 A C 0.274 178.015 177.584 0.261 0.000 1.062 308 A CA 0.824 52.990 52.037 0.214 0.000 0.758 308 A CB 0.094 19.219 19.000 0.208 0.000 0.995 308 A HN 0.380 nan 8.150 nan 0.000 0.511 309 T N 0.801 115.507 114.554 0.253 0.000 3.159 309 T HA 0.428 4.778 4.350 -0.000 0.000 0.343 309 T C -1.247 173.358 174.700 -0.158 0.000 1.364 309 T CA -0.428 61.724 62.100 0.086 0.000 1.102 309 T CB 0.971 69.868 68.868 0.049 0.000 1.263 309 T HN 0.852 nan 8.240 nan 0.000 0.477 310 L N 4.100 125.063 121.223 -0.432 0.000 2.296 310 L HA 0.729 5.069 4.340 -0.000 0.000 0.286 310 L C -1.087 175.585 176.870 -0.330 0.000 1.023 310 L CA -0.663 53.828 54.840 -0.582 0.000 0.812 310 L CB 0.945 42.400 42.059 -1.008 0.000 1.223 310 L HN 0.567 nan 8.230 nan 0.000 0.421 311 L N 6.866 127.899 121.223 -0.317 0.000 2.305 311 L HA 0.464 4.804 4.340 -0.000 0.000 0.284 311 L C -1.633 175.114 176.870 -0.205 0.000 1.013 311 L CA -0.484 54.183 54.840 -0.288 0.000 0.819 311 L CB 1.592 43.385 42.059 -0.443 0.000 1.227 311 L HN 0.650 nan 8.230 nan 0.000 0.417 312 L N 5.442 126.565 121.223 -0.167 0.000 2.316 312 L HA 0.424 4.763 4.340 -0.000 0.000 0.280 312 L C -0.915 175.871 176.870 -0.139 0.000 1.006 312 L CA -0.373 54.418 54.840 -0.081 0.000 0.836 312 L CB 1.735 43.797 42.059 0.005 0.000 1.221 312 L HN 0.705 nan 8.230 nan 0.000 0.418 313 N N 1.304 119.944 118.700 -0.100 0.000 2.417 313 N HA 0.477 5.217 4.740 -0.000 0.000 0.300 313 N C -0.669 174.775 175.510 -0.109 0.000 1.102 313 N CA -0.221 52.733 53.050 -0.160 0.000 0.886 313 N CB 2.051 40.486 38.487 -0.087 0.000 1.203 313 N HN 0.375 nan 8.380 nan 0.000 0.496 314 T N -0.153 114.294 114.554 -0.178 0.000 2.927 314 T HA 0.554 4.904 4.350 -0.000 0.000 0.281 314 T C 1.104 175.766 174.700 -0.062 0.000 0.998 314 T CA 0.532 62.569 62.100 -0.104 0.000 1.019 314 T CB 1.207 69.975 68.868 -0.166 0.000 1.061 314 T HN 0.709 nan 8.240 nan 0.000 0.518 315 G N 1.545 110.330 108.800 -0.025 0.000 2.336 315 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.233 315 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.233 315 G C 0.566 175.471 174.900 0.008 0.000 1.053 315 G CA 0.351 45.444 45.100 -0.011 0.000 0.625 315 G HN 1.387 nan 8.290 nan 0.000 0.511 316 S N -0.177 115.531 115.700 0.013 0.000 2.525 316 S HA 0.164 4.634 4.470 -0.000 0.000 0.282 316 S C 1.409 176.029 174.600 0.034 0.000 1.324 316 S CA 0.530 58.747 58.200 0.029 0.000 1.025 316 S CB 1.567 64.792 63.200 0.040 0.000 0.820 316 S HN 1.580 nan 8.310 nan 0.000 0.514 317 V N 1.043 120.978 119.914 0.035 0.000 3.380 317 V HA 0.258 4.378 4.120 -0.000 0.000 0.268 317 V C 1.317 177.436 176.094 0.042 0.000 1.168 317 V CA 0.975 63.295 62.300 0.034 0.000 1.156 317 V CB -1.282 30.559 31.823 0.029 0.000 0.785 317 V HN 1.061 nan 8.190 nan 0.000 0.487 318 A N 1.845 124.696 122.820 0.051 0.000 2.407 318 A HA 0.598 4.918 4.320 -0.000 0.000 0.248 318 A C -2.342 175.284 177.584 0.069 0.000 1.082 318 A CA -0.933 51.140 52.037 0.061 0.000 0.785 318 A CB -0.101 18.942 19.000 0.071 0.000 1.020 318 A HN 0.434 nan 8.150 nan 0.000 0.489 319 P HA 0.364 nan 4.420 nan 0.000 0.288 319 P C -2.320 175.051 177.300 0.118 0.000 1.267 319 P CA -1.881 61.268 63.100 0.082 0.000 0.815 319 P CB 0.572 32.312 31.700 0.067 0.000 0.989 320 P HA -0.247 nan 4.420 nan 0.000 0.218 320 P C 1.350 178.805 177.300 0.258 0.000 1.147 320 P CA 1.456 64.703 63.100 0.245 0.000 0.827 320 P CB 0.141 31.982 31.700 0.235 0.000 0.778 321 E N -0.684 119.600 120.200 0.140 0.000 2.021 321 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 321 E C 1.953 178.593 176.600 0.067 0.000 1.015 321 E CA 1.959 58.402 56.400 0.071 0.000 0.824 321 E CB -0.840 28.889 29.700 0.048 0.000 0.762 321 E HN 0.309 nan 8.360 nan 0.000 0.454 322 M N -0.403 119.250 119.600 0.087 0.000 2.175 322 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 322 M C 1.689 178.065 176.300 0.125 0.000 1.063 322 M CA 1.513 56.864 55.300 0.085 0.000 1.119 322 M CB -0.239 32.408 32.600 0.079 0.000 1.377 322 M HN 0.034 nan 8.290 nan 0.000 0.415 323 L N 0.490 121.821 121.223 0.181 0.000 2.012 323 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 323 L C 2.746 179.808 176.870 0.320 0.000 1.073 323 L CA 2.163 57.148 54.840 0.242 0.000 0.748 323 L CB -1.337 40.879 42.059 0.261 0.000 0.891 323 L HN 0.530 nan 8.230 nan 0.000 0.431 324 K N 0.416 121.024 120.400 0.347 0.000 2.032 324 K HA -0.213 4.106 4.320 -0.000 0.000 0.209 324 K C 2.165 178.757 176.600 -0.014 0.000 1.048 324 K CA 1.586 57.873 56.287 0.001 0.000 0.927 324 K CB -0.086 31.906 32.500 -0.845 0.000 0.712 324 K HN 0.266 nan 8.250 nan 0.000 0.441 325 A N 0.705 123.526 122.820 0.002 0.000 1.948 325 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 325 A C 2.231 179.859 177.584 0.073 0.000 1.177 325 A CA 2.220 54.265 52.037 0.012 0.000 0.636 325 A CB -0.669 18.345 19.000 0.023 0.000 0.815 325 A HN 0.529 nan 8.150 nan 0.000 0.449 326 A N -0.808 122.095 122.820 0.138 0.000 1.911 326 A HA 0.214 4.533 4.320 -0.000 0.000 0.212 326 A C 2.070 179.833 177.584 0.298 0.000 1.189 326 A CA 0.849 53.020 52.037 0.223 0.000 0.639 326 A CB -0.435 18.700 19.000 0.225 0.000 0.839 326 A HN 0.403 nan 8.150 nan 0.000 0.449 327 I N -0.356 120.368 120.570 0.256 0.000 2.151 327 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 327 I C 2.728 178.985 176.117 0.234 0.000 1.080 327 I CA 1.967 63.436 61.300 0.281 0.000 1.339 327 I CB -0.138 38.060 38.000 0.329 0.000 1.039 327 I HN 0.362 nan 8.210 nan 0.000 0.409 328 R N 1.456 122.045 120.500 0.149 0.000 2.073 328 R HA -0.131 4.208 4.340 -0.000 0.000 0.234 328 R C 2.257 178.614 176.300 0.095 0.000 1.134 328 R CA 1.887 58.035 56.100 0.081 0.000 0.952 328 R CB -0.798 29.501 30.300 -0.001 0.000 0.850 328 R HN 0.318 nan 8.270 nan 0.000 0.433 329 A N -0.434 122.445 122.820 0.098 0.000 1.927 329 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 329 A C 2.118 179.697 177.584 -0.007 0.000 1.185 329 A CA 1.876 53.932 52.037 0.032 0.000 0.639 329 A CB -0.969 18.043 19.000 0.019 0.000 0.820 329 A HN 0.561 nan 8.150 nan 0.000 0.451 330 Y N -0.655 119.684 120.300 0.065 0.000 2.286 330 Y HA -0.054 4.496 4.550 -0.000 0.000 0.293 330 Y C 2.273 178.222 175.900 0.081 0.000 1.124 330 Y CA 1.464 59.608 58.100 0.074 0.000 1.178 330 Y CB -0.479 38.038 38.460 0.094 0.000 1.010 330 Y HN 0.395 nan 8.280 nan 0.000 0.536 331 N N -0.124 118.718 118.700 0.237 0.000 2.453 331 N HA -0.154 4.585 4.740 -0.000 0.000 0.183 331 N C 0.779 176.367 175.510 0.130 0.000 1.041 331 N CA 0.829 53.990 53.050 0.185 0.000 0.900 331 N CB 0.013 38.602 38.487 0.169 0.000 0.961 331 N HN 0.311 nan 8.380 nan 0.000 0.443 332 D N -0.169 120.281 120.400 0.082 0.000 2.194 332 D HA -0.055 4.585 4.640 -0.000 0.000 0.204 332 D C 1.639 177.953 176.300 0.023 0.000 0.964 332 D CA 0.833 54.859 54.000 0.043 0.000 0.846 332 D CB 0.115 40.921 40.800 0.009 0.000 0.962 332 D HN 0.156 nan 8.370 nan 0.000 0.490 333 V N -1.018 118.898 119.914 0.003 0.000 3.596 333 V HA 0.178 4.298 4.120 -0.000 0.000 0.289 333 V C 0.510 176.612 176.094 0.013 0.000 1.336 333 V CA -0.327 61.964 62.300 -0.016 0.000 1.137 333 V CB -0.846 30.934 31.823 -0.072 0.000 0.966 333 V HN 0.112 nan 8.190 nan 0.000 0.428 334 K N -0.498 119.935 120.400 0.055 0.000 3.230 334 K HA -0.165 4.155 4.320 -0.000 0.000 0.285 334 K C 0.131 176.770 176.600 0.066 0.000 1.196 334 K CA 0.497 56.816 56.287 0.055 0.000 0.838 334 K CB -1.025 31.478 32.500 0.005 0.000 1.262 334 K HN 0.456 nan 8.250 nan 0.000 0.492 335 R N 0.884 121.465 120.500 0.136 0.000 2.457 335 R HA 0.300 4.640 4.340 -0.000 0.000 0.284 335 R C -2.317 174.123 176.300 0.233 0.000 1.024 335 R CA -2.028 54.189 56.100 0.195 0.000 1.025 335 R CB 0.580 31.061 30.300 0.300 0.000 1.063 335 R HN -0.013 nan 8.270 nan 0.000 0.493 336 P HA 0.289 nan 4.420 nan 0.000 0.286 336 P C -0.512 176.844 177.300 0.092 0.000 1.269 336 P CA -0.124 63.059 63.100 0.139 0.000 0.787 336 P CB 0.673 32.429 31.700 0.093 0.000 0.920 337 I N 2.943 123.595 120.570 0.137 0.000 2.441 337 I HA 0.375 4.545 4.170 -0.000 0.000 0.295 337 I C 0.113 176.243 176.117 0.021 0.000 0.994 337 I CA -1.150 60.176 61.300 0.044 0.000 1.144 337 I CB 2.049 40.151 38.000 0.171 0.000 1.314 337 I HN 0.014 nan 8.210 nan 0.000 0.445 338 V N 5.730 125.586 119.914 -0.096 0.000 2.483 338 V HA 0.415 4.534 4.120 -0.000 0.000 0.295 338 V C -0.879 175.099 176.094 -0.193 0.000 1.035 338 V CA -0.648 61.584 62.300 -0.113 0.000 0.896 338 V CB 1.813 33.565 31.823 -0.119 0.000 0.986 338 V HN 0.484 nan 8.190 nan 0.000 0.447 339 F N 3.614 123.310 119.950 -0.423 0.000 2.539 339 F HA 0.557 5.084 4.527 -0.000 0.000 0.328 339 F C -0.635 174.961 175.800 -0.340 0.000 1.148 339 F CA -0.936 56.736 58.000 -0.546 0.000 0.940 339 F CB 1.564 39.951 39.000 -1.022 0.000 1.194 339 F HN 0.510 nan 8.300 nan 0.000 0.438 340 D N 8.477 128.409 120.400 -0.781 0.000 2.472 340 D HA 0.322 4.962 4.640 -0.000 0.000 0.234 340 D C -2.576 173.184 176.300 -0.900 0.000 1.088 340 D CA -2.341 51.258 54.000 -0.669 0.000 0.882 340 D CB 1.622 42.161 40.800 -0.435 0.000 1.037 340 D HN 0.204 nan 8.370 nan 0.000 0.520 341 P HA 0.035 nan 4.420 nan 0.000 0.230 341 P C 0.114 177.209 177.300 -0.341 0.000 1.791 341 P CA -0.374 62.320 63.100 -0.678 0.000 1.020 341 P CB -0.023 31.438 31.700 -0.398 0.000 1.977 342 V N 2.018 121.746 119.914 -0.309 0.000 2.726 342 V HA -0.068 4.051 4.120 -0.000 0.000 0.304 342 V C 2.140 178.156 176.094 -0.130 0.000 1.115 342 V CA 1.617 63.802 62.300 -0.191 0.000 1.264 342 V CB -1.039 30.689 31.823 -0.157 0.000 0.867 342 V HN 0.778 nan 8.190 nan 0.000 0.498 343 G N 2.248 110.989 108.800 -0.098 0.000 2.296 343 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.284 343 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.284 343 G C 0.661 175.525 174.900 -0.060 0.000 1.014 343 G CA 1.259 46.320 45.100 -0.066 0.000 0.686 343 G HN 2.305 nan 8.290 nan 0.000 0.540 344 Y N -0.823 119.428 120.300 -0.081 0.000 2.384 344 Y HA 0.219 4.769 4.550 -0.000 0.000 0.435 344 Y C 1.755 177.637 175.900 -0.030 0.000 1.313 344 Y CA 1.637 59.703 58.100 -0.057 0.000 1.842 344 Y CB -1.254 37.165 38.460 -0.068 0.000 1.283 344 Y HN 2.231 nan 8.280 nan 0.000 0.397 345 S N -0.820 114.866 115.700 -0.023 0.000 1.815 345 S HA 0.039 4.508 4.470 -0.000 0.000 0.240 345 S C 1.587 176.177 174.600 -0.016 0.000 1.262 345 S CA 1.153 59.344 58.200 -0.015 0.000 1.069 345 S CB -1.719 61.473 63.200 -0.013 0.000 1.331 345 S HN 2.485 nan 8.310 nan 0.000 0.597 346 A N 1.204 124.011 122.820 -0.021 0.000 1.986 346 A HA 0.244 4.564 4.320 -0.000 0.000 0.220 346 A C 1.373 178.949 177.584 -0.014 0.000 1.171 346 A CA 2.290 54.316 52.037 -0.018 0.000 0.640 346 A CB -0.938 18.048 19.000 -0.022 0.000 0.811 346 A HN 1.831 nan 8.150 nan 0.000 0.451 347 T N -6.133 108.413 114.554 -0.012 0.000 2.865 347 T HA 0.497 4.847 4.350 -0.000 0.000 0.294 347 T C 0.452 175.148 174.700 -0.007 0.000 1.119 347 T CA -0.310 61.785 62.100 -0.009 0.000 1.007 347 T CB 1.494 70.358 68.868 -0.007 0.000 1.225 347 T HN 0.002 nan 8.240 nan 0.000 0.515 348 E N 1.010 121.207 120.200 -0.005 0.000 2.033 348 E HA -0.152 4.198 4.350 -0.000 0.000 0.199 348 E C 2.148 178.747 176.600 -0.001 0.000 1.011 348 E CA 2.446 58.843 56.400 -0.005 0.000 0.815 348 E CB -0.896 28.802 29.700 -0.003 0.000 0.755 348 E HN 0.866 nan 8.360 nan 0.000 0.451 349 T N 0.687 115.242 114.554 0.001 0.000 2.833 349 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 349 T C 2.009 176.712 174.700 0.005 0.000 1.054 349 T CA 1.149 63.252 62.100 0.006 0.000 1.135 349 T CB -0.091 68.782 68.868 0.008 0.000 0.869 349 T HN 0.123 nan 8.240 nan 0.000 0.466 350 R N 0.060 120.559 120.500 -0.000 0.000 2.061 350 R HA 0.033 4.373 4.340 -0.000 0.000 0.230 350 R C 2.362 178.663 176.300 0.001 0.000 1.140 350 R CA 0.862 56.960 56.100 -0.003 0.000 0.940 350 R CB -0.722 29.570 30.300 -0.014 0.000 0.839 350 R HN 0.197 nan 8.270 nan 0.000 0.429 351 L N 1.464 122.686 121.223 -0.001 0.000 2.077 351 L HA -0.319 4.021 4.340 -0.000 0.000 0.231 351 L C 1.989 178.864 176.870 0.007 0.000 1.100 351 L CA 1.925 56.766 54.840 0.003 0.000 0.819 351 L CB -0.906 41.152 42.059 -0.003 0.000 0.913 351 L HN 0.238 nan 8.230 nan 0.000 0.446 352 L N -1.672 119.554 121.223 0.005 0.000 1.970 352 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 352 L C 2.546 179.417 176.870 0.001 0.000 1.071 352 L CA 1.760 56.603 54.840 0.006 0.000 0.751 352 L CB -1.293 40.773 42.059 0.011 0.000 0.889 352 L HN 0.414 nan 8.230 nan 0.000 0.432 353 L N 0.705 121.931 121.223 0.006 0.000 2.034 353 L HA -0.284 4.056 4.340 -0.000 0.000 0.217 353 L C 2.340 179.201 176.870 -0.015 0.000 1.077 353 L CA 1.937 56.779 54.840 0.002 0.000 0.769 353 L CB -1.255 40.816 42.059 0.019 0.000 0.890 353 L HN 0.416 nan 8.230 nan 0.000 0.435 354 N N -0.207 118.511 118.700 0.029 0.000 2.132 354 N HA -0.137 4.603 4.740 -0.000 0.000 0.187 354 N C 1.551 177.065 175.510 0.007 0.000 1.038 354 N CA 1.560 54.666 53.050 0.094 0.000 0.846 354 N CB -0.563 38.013 38.487 0.148 0.000 1.012 354 N HN 0.475 nan 8.380 nan 0.000 0.429 355 N N 1.235 119.941 118.700 0.010 0.000 2.132 355 N HA -0.183 4.556 4.740 -0.000 0.000 0.191 355 N C 1.726 177.207 175.510 -0.048 0.000 1.015 355 N CA 1.152 54.207 53.050 0.008 0.000 0.864 355 N CB 0.001 38.503 38.487 0.024 0.000 1.006 355 N HN 0.315 nan 8.380 nan 0.000 0.430 356 K N 1.063 121.404 120.400 -0.098 0.000 1.985 356 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 356 K C 1.799 178.048 176.600 -0.586 0.000 1.047 356 K CA 0.999 57.173 56.287 -0.188 0.000 0.932 356 K CB -0.120 32.305 32.500 -0.126 0.000 0.716 356 K HN 0.092 nan 8.250 nan 0.000 0.439 357 L N 1.161 121.959 121.223 -0.708 0.000 2.081 357 L HA -0.202 4.137 4.340 -0.000 0.000 0.212 357 L C 2.241 178.784 176.870 -0.545 0.000 1.080 357 L CA 1.002 55.269 54.840 -0.956 0.000 0.754 357 L CB -0.474 41.324 42.059 -0.435 0.000 0.893 357 L HN 0.243 nan 8.230 nan 0.000 0.433 358 L N 0.038 121.063 121.223 -0.332 0.000 2.642 358 L HA -0.131 4.209 4.340 -0.000 0.000 0.236 358 L C 1.811 178.590 176.870 -0.151 0.000 1.169 358 L CA 1.309 56.013 54.840 -0.227 0.000 0.851 358 L CB -0.712 41.299 42.059 -0.080 0.000 0.968 358 L HN 0.539 nan 8.230 nan 0.000 0.453 359 T N -7.045 107.454 114.554 -0.092 0.000 3.043 359 T HA 0.133 4.483 4.350 -0.000 0.000 0.272 359 T C 1.271 176.130 174.700 0.264 0.000 0.990 359 T CA -0.299 61.877 62.100 0.126 0.000 0.897 359 T CB -0.258 68.762 68.868 0.253 0.000 1.111 359 T HN 0.138 nan 8.240 nan 0.000 0.529 360 F N 2.018 121.913 119.950 -0.092 0.000 2.293 360 F HA 0.382 4.909 4.527 -0.000 0.000 0.297 360 F C 1.806 177.514 175.800 -0.154 0.000 1.089 360 F CA 0.226 58.169 58.000 -0.095 0.000 1.377 360 F CB 0.294 39.274 39.000 -0.033 0.000 1.051 360 F HN 0.504 nan 8.300 nan 0.000 0.511 361 G N -0.670 108.076 108.800 -0.090 0.000 2.650 361 G HA2 0.393 4.353 3.960 -0.000 0.000 0.310 361 G HA3 0.393 4.353 3.960 -0.000 0.000 0.310 361 G C -2.043 172.587 174.900 -0.450 0.000 1.270 361 G CA -0.478 44.508 45.100 -0.191 0.000 0.810 361 G HN -0.100 nan 8.290 nan 0.000 0.493 362 Q N -0.096 119.491 119.800 -0.355 0.000 2.330 362 Q HA 0.686 5.026 4.340 -0.000 0.000 0.269 362 Q C -1.586 174.227 176.000 -0.312 0.000 1.022 362 Q CA -0.604 54.944 55.803 -0.425 0.000 0.796 362 Q CB 1.040 29.592 28.738 -0.309 0.000 1.271 362 Q HN 0.358 nan 8.270 nan 0.000 0.450 363 F N 1.651 121.533 119.950 -0.114 0.000 2.397 363 F HA 0.337 4.864 4.527 -0.000 0.000 0.331 363 F C 1.416 177.294 175.800 0.131 0.000 1.090 363 F CA -0.779 57.220 58.000 -0.001 0.000 1.065 363 F CB 1.783 40.763 39.000 -0.033 0.000 1.184 363 F HN 0.622 nan 8.300 nan 0.000 0.499 364 S N 0.413 116.375 115.700 0.437 0.000 2.377 364 S HA -0.079 4.391 4.470 -0.000 0.000 0.223 364 S C 0.068 174.830 174.600 0.271 0.000 1.030 364 S CA 0.436 58.877 58.200 0.402 0.000 0.970 364 S CB 0.095 63.449 63.200 0.256 0.000 0.830 364 S HN 0.684 nan 8.310 nan 0.000 0.473 365 C N 1.005 120.426 119.300 0.202 0.000 2.891 365 C HA 0.654 5.114 4.460 -0.000 0.000 0.342 365 C C -1.558 173.489 174.990 0.095 0.000 1.126 365 C CA -1.244 57.858 59.018 0.139 0.000 1.322 365 C CB 0.084 27.884 27.740 0.100 0.000 1.763 365 C HN 0.399 nan 8.230 nan 0.000 0.491 366 I N 5.507 126.134 120.570 0.095 0.000 2.355 366 I HA 0.433 4.603 4.170 -0.000 0.000 0.288 366 I C -0.183 175.936 176.117 0.003 0.000 0.999 366 I CA -0.231 61.105 61.300 0.060 0.000 1.163 366 I CB 1.300 39.357 38.000 0.094 0.000 1.316 366 I HN 0.619 nan 8.210 nan 0.000 0.454 367 K N 5.572 125.928 120.400 -0.072 0.000 2.244 367 K HA 0.810 5.130 4.320 -0.000 0.000 0.260 367 K C -0.755 175.771 176.600 -0.123 0.000 0.951 367 K CA -0.340 55.897 56.287 -0.084 0.000 0.826 367 K CB 2.251 34.680 32.500 -0.119 0.000 1.108 367 K HN 0.847 nan 8.250 nan 0.000 0.433 368 G N 2.112 110.867 108.800 -0.074 0.000 2.623 368 G HA2 0.193 4.153 3.960 -0.000 0.000 0.290 368 G HA3 0.193 4.153 3.960 -0.000 0.000 0.290 368 G C -1.273 173.607 174.900 -0.034 0.000 1.437 368 G CA -0.849 44.200 45.100 -0.084 0.000 0.798 368 G HN 0.729 nan 8.290 nan 0.000 0.488 369 N N -1.456 117.222 118.700 -0.036 0.000 2.431 369 N HA 0.314 5.054 4.740 -0.000 0.000 0.289 369 N C 1.710 177.232 175.510 0.020 0.000 1.277 369 N CA 0.319 53.369 53.050 0.001 0.000 0.972 369 N CB 0.469 38.950 38.487 -0.009 0.000 1.143 369 N HN 0.516 nan 8.380 nan 0.000 0.578 370 S N -0.888 114.835 115.700 0.039 0.000 2.368 370 S HA -0.154 4.315 4.470 -0.000 0.000 0.225 370 S C 1.856 176.466 174.600 0.017 0.000 1.030 370 S CA 1.222 59.447 58.200 0.042 0.000 0.999 370 S CB -0.944 62.289 63.200 0.056 0.000 0.844 370 S HN 0.540 nan 8.310 nan 0.000 0.459 371 S N 2.154 117.858 115.700 0.007 0.000 2.343 371 S HA -0.128 4.342 4.470 -0.000 0.000 0.219 371 S C 2.020 176.614 174.600 -0.009 0.000 1.033 371 S CA 1.572 59.770 58.200 -0.003 0.000 1.014 371 S CB -0.490 62.704 63.200 -0.009 0.000 0.915 371 S HN 0.686 nan 8.310 nan 0.000 0.435 372 E N 0.569 120.757 120.200 -0.020 0.000 2.058 372 E HA -0.117 4.232 4.350 -0.000 0.000 0.194 372 E C 1.773 178.364 176.600 -0.015 0.000 0.997 372 E CA 1.000 57.382 56.400 -0.030 0.000 0.801 372 E CB -0.142 29.522 29.700 -0.060 0.000 0.746 372 E HN 0.317 nan 8.360 nan 0.000 0.450 373 I N 0.780 121.348 120.570 -0.004 0.000 3.001 373 I HA -0.123 4.047 4.170 -0.000 0.000 0.268 373 I C 1.890 178.014 176.117 0.012 0.000 1.267 373 I CA 1.028 62.334 61.300 0.011 0.000 1.472 373 I CB -0.500 37.515 38.000 0.025 0.000 1.089 373 I HN 0.176 nan 8.210 nan 0.000 0.468 374 L N -0.395 120.830 121.223 0.004 0.000 2.209 374 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 374 L C 2.569 179.443 176.870 0.008 0.000 1.094 374 L CA 0.819 55.660 54.840 0.000 0.000 0.790 374 L CB -0.900 41.155 42.059 -0.007 0.000 0.932 374 L HN 0.209 nan 8.230 nan 0.000 0.447 375 G N 1.018 109.822 108.800 0.007 0.000 2.545 375 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 375 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 375 G C 1.524 176.444 174.900 0.033 0.000 1.218 375 G CA 0.832 45.938 45.100 0.011 0.000 0.787 375 G HN 0.237 nan 8.290 nan 0.000 0.571 376 L N 0.728 121.979 121.223 0.046 0.000 2.201 376 L HA 0.024 4.364 4.340 -0.000 0.000 0.212 376 L C 3.284 180.240 176.870 0.144 0.000 1.105 376 L CA 0.735 55.636 54.840 0.103 0.000 0.775 376 L CB -0.395 41.708 42.059 0.072 0.000 0.913 376 L HN 0.340 nan 8.230 nan 0.000 0.440 377 A N -0.361 122.510 122.820 0.086 0.000 2.066 377 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 377 A C 0.756 178.360 177.584 0.035 0.000 1.157 377 A CA 0.567 52.642 52.037 0.062 0.000 0.670 377 A CB -0.125 18.892 19.000 0.028 0.000 0.804 377 A HN 0.511 nan 8.150 nan 0.000 0.453 378 E N -3.000 117.218 120.200 0.030 0.000 2.300 378 E HA 0.080 4.430 4.350 -0.000 0.000 0.238 378 E C 0.077 176.674 176.600 -0.005 0.000 1.186 378 E CA 0.240 56.645 56.400 0.009 0.000 0.717 378 E CB -2.702 26.998 29.700 0.001 0.000 1.212 378 E HN 1.958 nan 8.360 nan 0.000 0.415 395 N N 0.255 118.931 118.700 -0.040 0.000 2.486 395 N HA 0.201 4.941 4.740 -0.000 0.000 0.242 395 N C 0.969 176.399 175.510 -0.132 0.000 1.083 395 N CA 0.804 53.814 53.050 -0.066 0.000 0.844 395 N CB 0.131 38.579 38.487 -0.066 0.000 1.527 395 N HN 0.724 nan 8.380 nan 0.000 0.462 396 E N 0.707 120.841 120.200 -0.110 0.000 2.274 396 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 396 E C 1.620 178.124 176.600 -0.160 0.000 0.996 396 E CA 0.471 56.794 56.400 -0.129 0.000 0.840 396 E CB 0.193 29.846 29.700 -0.080 0.000 0.772 396 E HN 0.129 nan 8.360 nan 0.000 0.491 397 L N 0.828 121.973 121.223 -0.131 0.000 2.109 397 L HA -0.088 4.251 4.340 -0.000 0.000 0.207 397 L C 2.019 178.793 176.870 -0.160 0.000 1.086 397 L CA 1.285 56.056 54.840 -0.116 0.000 0.760 397 L CB -0.063 41.951 42.059 -0.075 0.000 0.910 397 L HN 0.097 nan 8.230 nan 0.000 0.437 398 L N -1.091 120.003 121.223 -0.215 0.000 2.201 398 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 398 L C 2.309 178.856 176.870 -0.538 0.000 1.105 398 L CA 0.713 55.378 54.840 -0.292 0.000 0.775 398 L CB -0.388 41.527 42.059 -0.240 0.000 0.913 398 L HN 0.269 nan 8.230 nan 0.000 0.440 399 I N -0.625 119.566 120.570 -0.631 0.000 2.353 399 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 399 I C 2.527 178.486 176.117 -0.263 0.000 1.119 399 I CA 1.188 62.136 61.300 -0.587 0.000 1.417 399 I CB -0.402 37.359 38.000 -0.397 0.000 1.078 399 I HN 0.440 nan 8.210 nan 0.000 0.421 400 Q N 1.192 120.876 119.800 -0.194 0.000 2.020 400 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 400 Q C 2.376 178.323 176.000 -0.088 0.000 0.982 400 Q CA 2.147 57.883 55.803 -0.112 0.000 0.838 400 Q CB -0.000 28.682 28.738 -0.093 0.000 0.899 400 Q HN 0.474 nan 8.270 nan 0.000 0.423 401 A N 0.075 122.838 122.820 -0.094 0.000 1.858 401 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 401 A C 2.260 179.830 177.584 -0.023 0.000 1.190 401 A CA 2.041 54.048 52.037 -0.049 0.000 0.617 401 A CB -1.237 17.736 19.000 -0.044 0.000 0.827 401 A HN 0.506 nan 8.150 nan 0.000 0.443 402 T N 0.025 114.548 114.554 -0.051 0.000 2.778 402 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 402 T C 1.861 176.582 174.700 0.036 0.000 1.050 402 T CA 1.796 63.901 62.100 0.008 0.000 1.137 402 T CB -0.213 68.665 68.868 0.017 0.000 0.860 402 T HN 0.495 nan 8.240 nan 0.000 0.468 403 K N 0.159 120.565 120.400 0.009 0.000 2.103 403 K HA 0.099 4.419 4.320 -0.000 0.000 0.204 403 K C 2.206 178.847 176.600 0.068 0.000 1.052 403 K CA 0.761 57.070 56.287 0.037 0.000 0.945 403 K CB -0.207 32.300 32.500 0.012 0.000 0.722 403 K HN 0.357 nan 8.250 nan 0.000 0.443 404 I N 0.723 121.319 120.570 0.042 0.000 2.060 404 I HA -0.289 3.881 4.170 -0.000 0.000 0.233 404 I C 2.201 178.401 176.117 0.138 0.000 1.054 404 I CA 1.060 62.395 61.300 0.059 0.000 1.318 404 I CB -0.507 37.505 38.000 0.020 0.000 1.054 404 I HN -0.144 nan 8.210 nan 0.000 0.395 405 V N 1.285 121.287 119.914 0.146 0.000 2.495 405 V HA -0.386 3.734 4.120 -0.000 0.000 0.260 405 V C 2.449 178.696 176.094 0.256 0.000 1.097 405 V CA 2.111 64.553 62.300 0.237 0.000 1.105 405 V CB -1.239 30.680 31.823 0.162 0.000 0.678 405 V HN 0.583 nan 8.190 nan 0.000 0.469 406 A N -1.434 121.493 122.820 0.179 0.000 1.943 406 A HA -0.021 4.299 4.320 -0.000 0.000 0.213 406 A C 1.974 179.639 177.584 0.134 0.000 1.181 406 A CA 1.125 53.248 52.037 0.143 0.000 0.653 406 A CB -0.445 18.609 19.000 0.089 0.000 0.833 406 A HN 0.471 nan 8.150 nan 0.000 0.451 407 F N 0.820 120.778 119.950 0.013 0.000 2.098 407 F HA -0.043 4.483 4.527 -0.000 0.000 0.294 407 F C 2.158 177.913 175.800 -0.075 0.000 1.107 407 F CA 2.096 60.079 58.000 -0.028 0.000 1.234 407 F CB -0.182 38.797 39.000 -0.035 0.000 1.002 407 F HN 0.151 nan 8.300 nan 0.000 0.472 408 K N -0.536 120.002 120.400 0.230 0.000 2.074 408 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 408 K C 1.207 177.594 176.600 -0.355 0.000 1.048 408 K CA 2.113 58.370 56.287 -0.050 0.000 0.926 408 K CB -0.547 31.853 32.500 -0.167 0.000 0.713 408 K HN 0.450 nan 8.250 nan 0.000 0.444 409 Y N 0.582 120.848 120.300 -0.056 0.000 2.555 409 Y HA 0.265 4.815 4.550 -0.000 0.000 0.259 409 Y C -0.427 175.342 175.900 -0.219 0.000 1.179 409 Y CA -0.600 57.427 58.100 -0.122 0.000 1.230 409 Y CB 0.683 39.120 38.460 -0.039 0.000 1.146 409 Y HN -0.161 nan 8.280 nan 0.000 0.526 410 K N 1.351 121.633 120.400 -0.196 0.000 4.007 410 K HA -0.206 4.114 4.320 -0.000 0.000 0.279 410 K C -0.253 176.323 176.600 -0.040 0.000 0.919 410 K CA 1.050 57.177 56.287 -0.266 0.000 0.800 410 K CB -1.633 30.467 32.500 -0.666 0.000 1.572 410 K HN 0.443 nan 8.250 nan 0.000 0.443 411 T N -1.778 112.804 114.554 0.046 0.000 2.840 411 T HA 0.475 4.825 4.350 -0.000 0.000 0.317 411 T C -0.988 173.768 174.700 0.094 0.000 1.401 411 T CA -0.444 61.733 62.100 0.128 0.000 1.028 411 T CB 1.424 70.387 68.868 0.157 0.000 1.317 411 T HN 0.026 nan 8.240 nan 0.000 0.495 412 V N 2.768 122.744 119.914 0.105 0.000 2.470 412 V HA 0.660 4.780 4.120 -0.000 0.000 0.276 412 V C 0.742 176.892 176.094 0.093 0.000 1.040 412 V CA -0.446 61.890 62.300 0.060 0.000 1.008 412 V CB 0.078 31.962 31.823 0.102 0.000 0.990 412 V HN 1.025 nan 8.190 nan 0.000 0.477 413 A N 5.050 127.920 122.820 0.084 0.000 2.318 413 A HA 0.835 5.155 4.320 -0.000 0.000 0.324 413 A C -0.659 176.993 177.584 0.114 0.000 1.170 413 A CA -0.579 51.516 52.037 0.095 0.000 0.810 413 A CB 1.596 20.654 19.000 0.097 0.000 1.198 413 A HN 0.692 nan 8.150 nan 0.000 0.484 414 V N 1.392 121.364 119.914 0.096 0.000 2.448 414 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 414 V C -0.403 175.753 176.094 0.104 0.000 1.025 414 V CA -0.604 61.763 62.300 0.112 0.000 0.859 414 V CB 1.335 33.200 31.823 0.071 0.000 0.988 414 V HN 1.009 nan 8.190 nan 0.000 0.431 415 C N 5.562 124.967 119.300 0.174 0.000 2.291 415 C HA 0.647 5.107 4.460 -0.000 0.000 0.322 415 C C 0.802 175.915 174.990 0.205 0.000 1.205 415 C CA -0.389 58.739 59.018 0.185 0.000 1.495 415 C CB -0.116 27.766 27.740 0.237 0.000 2.127 415 C HN 1.025 nan 8.230 nan 0.000 0.452 416 T N 3.364 117.986 114.554 0.113 0.000 2.749 416 T HA 0.685 5.035 4.350 -0.000 0.000 0.295 416 T C 0.479 175.244 174.700 0.109 0.000 0.936 416 T CA 0.292 62.445 62.100 0.088 0.000 1.060 416 T CB 1.235 70.121 68.868 0.030 0.000 0.904 416 T HN 1.143 nan 8.240 nan 0.000 0.500 417 G N 2.137 111.011 108.800 0.123 0.000 2.896 417 G HA2 0.357 4.317 3.960 -0.000 0.000 0.247 417 G HA3 0.357 4.317 3.960 -0.000 0.000 0.247 417 G C 0.197 175.159 174.900 0.104 0.000 1.187 417 G CA -0.296 44.886 45.100 0.138 0.000 0.837 417 G HN 0.613 nan 8.290 nan 0.000 0.559 418 E N -1.259 119.029 120.200 0.147 0.000 2.150 418 E HA 0.038 4.388 4.350 -0.000 0.000 0.193 418 E C -0.240 176.296 176.600 -0.107 0.000 0.985 418 E CA 0.734 57.167 56.400 0.055 0.000 0.814 418 E CB -0.077 29.701 29.700 0.130 0.000 0.752 418 E HN 0.196 nan 8.360 nan 0.000 0.466 419 F N 1.405 121.286 119.950 -0.116 0.000 2.427 419 F HA 0.281 4.807 4.527 -0.000 0.000 0.346 419 F C -0.334 175.213 175.800 -0.420 0.000 1.120 419 F CA -1.195 56.602 58.000 -0.338 0.000 1.033 419 F CB 1.330 39.969 39.000 -0.602 0.000 1.126 419 F HN -0.222 nan 8.300 nan 0.000 0.462 420 D N 3.593 123.881 120.400 -0.186 0.000 2.225 420 D HA 0.308 4.948 4.640 -0.000 0.000 0.248 420 D C -0.636 175.532 176.300 -0.220 0.000 1.096 420 D CA 0.082 54.022 54.000 -0.100 0.000 0.863 420 D CB 0.912 41.712 40.800 -0.001 0.000 1.156 420 D HN 0.114 nan 8.370 nan 0.000 0.450 421 F N 1.030 121.066 119.950 0.144 0.000 2.492 421 F HA 0.538 5.064 4.527 -0.000 0.000 0.327 421 F C 0.513 176.398 175.800 0.141 0.000 1.079 421 F CA -0.975 57.109 58.000 0.141 0.000 0.967 421 F CB 1.457 40.524 39.000 0.113 0.000 1.169 421 F HN 0.060 nan 8.300 nan 0.000 0.472 422 I N 2.534 123.321 120.570 0.362 0.000 2.542 422 I HA 0.452 4.621 4.170 -0.000 0.000 0.278 422 I C -0.480 175.829 176.117 0.318 0.000 1.069 422 I CA -0.533 60.966 61.300 0.331 0.000 1.100 422 I CB 1.177 39.409 38.000 0.388 0.000 1.204 422 I HN 0.697 nan 8.210 nan 0.000 0.470 423 A N 3.492 126.409 122.820 0.161 0.000 2.279 423 A HA 0.621 4.941 4.320 -0.000 0.000 0.303 423 A C -0.633 176.829 177.584 -0.204 0.000 1.108 423 A CA -0.261 51.785 52.037 0.015 0.000 0.830 423 A CB 0.886 19.916 19.000 0.051 0.000 1.106 423 A HN 0.647 nan 8.150 nan 0.000 0.493 424 D N 0.691 120.866 120.400 -0.375 0.000 2.420 424 D HA 0.436 5.076 4.640 -0.000 0.000 0.255 424 D C 0.568 176.765 176.300 -0.171 0.000 1.185 424 D CA 0.179 53.908 54.000 -0.452 0.000 0.904 424 D CB 0.731 40.923 40.800 -1.014 0.000 1.102 424 D HN 0.467 nan 8.370 nan 0.000 0.534 425 G N 1.799 110.559 108.800 -0.066 0.000 3.337 425 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.246 425 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.246 425 G C 1.191 176.032 174.900 -0.098 0.000 1.131 425 G CA 0.348 45.426 45.100 -0.036 0.000 0.773 425 G HN 0.507 nan 8.290 nan 0.000 0.544 426 T N -0.107 114.448 114.554 0.001 0.000 3.163 426 T HA -0.012 4.338 4.350 -0.000 0.000 0.260 426 T C 1.710 176.500 174.700 0.151 0.000 1.156 426 T CA 0.099 62.284 62.100 0.142 0.000 1.072 426 T CB -0.433 68.578 68.868 0.238 0.000 0.937 426 T HN 0.428 nan 8.240 nan 0.000 0.528 427 I N 1.348 121.944 120.570 0.043 0.000 4.067 427 I HA -0.370 3.800 4.170 -0.000 0.000 0.193 427 I C 0.642 176.812 176.117 0.088 0.000 1.126 427 I CA 1.691 63.029 61.300 0.063 0.000 2.476 427 I CB -2.736 35.293 38.000 0.049 0.000 1.667 427 I HN 0.617 nan 8.210 nan 0.000 0.413 428 E N -1.521 118.724 120.200 0.076 0.000 3.801 428 E HA -0.277 4.073 4.350 -0.000 0.000 0.319 428 E C 1.202 177.810 176.600 0.013 0.000 0.784 428 E CA 0.784 57.204 56.400 0.033 0.000 1.183 428 E CB -1.632 28.078 29.700 0.016 0.000 1.601 428 E HN 1.075 nan 8.360 nan 0.000 0.441 429 G N 0.240 109.079 108.800 0.066 0.000 2.176 429 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.253 429 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.253 429 G C 0.141 174.954 174.900 -0.144 0.000 0.979 429 G CA 0.418 45.450 45.100 -0.115 0.000 0.641 429 G HN 0.046 nan 8.290 nan 0.000 0.530 430 K N 0.391 120.798 120.400 0.011 0.000 2.401 430 K HA 0.485 4.805 4.320 -0.000 0.000 0.278 430 K C 0.104 176.807 176.600 0.172 0.000 1.018 430 K CA 0.059 56.336 56.287 -0.016 0.000 0.981 430 K CB 0.493 33.007 32.500 0.024 0.000 0.933 430 K HN 0.747 nan 8.250 nan 0.000 0.477 431 Y N -2.225 118.150 120.300 0.125 0.000 2.553 431 Y HA 0.591 5.141 4.550 -0.000 0.000 0.347 431 Y C -0.232 175.722 175.900 0.090 0.000 1.019 431 Y CA -1.191 57.007 58.100 0.162 0.000 1.032 431 Y CB 1.602 40.191 38.460 0.216 0.000 1.284 431 Y HN 0.570 nan 8.280 nan 0.000 0.466 432 S N 2.088 117.963 115.700 0.291 0.000 2.697 432 S HA 0.736 5.206 4.470 -0.000 0.000 0.289 432 S C -1.596 173.128 174.600 0.206 0.000 1.149 432 S CA -1.057 57.258 58.200 0.191 0.000 0.850 432 S CB 1.415 64.674 63.200 0.099 0.000 1.151 432 S HN 0.829 nan 8.310 nan 0.000 0.491 433 L N 2.699 124.011 121.223 0.147 0.000 2.292 433 L HA 0.366 4.706 4.340 -0.000 0.000 0.284 433 L C 0.909 177.827 176.870 0.079 0.000 1.065 433 L CA -0.041 54.865 54.840 0.110 0.000 0.806 433 L CB 1.320 43.438 42.059 0.098 0.000 1.175 433 L HN 1.172 nan 8.230 nan 0.000 0.431 434 S N 0.043 115.778 115.700 0.058 0.000 3.295 434 S HA -0.340 4.130 4.470 -0.000 0.000 0.353 434 S C 0.720 175.346 174.600 0.044 0.000 1.155 434 S CA 1.635 59.857 58.200 0.037 0.000 0.996 434 S CB -1.653 61.563 63.200 0.027 0.000 0.932 434 S HN 0.914 nan 8.310 nan 0.000 0.556 435 K N -0.078 120.357 120.400 0.059 0.000 2.412 435 K HA 0.650 4.970 4.320 -0.000 0.000 0.202 435 K C 2.217 178.855 176.600 0.064 0.000 1.102 435 K CA 1.011 57.331 56.287 0.056 0.000 1.027 435 K CB -0.635 31.899 32.500 0.056 0.000 0.931 435 K HN 1.952 nan 8.250 nan 0.000 0.557 436 G N -0.272 108.573 108.800 0.075 0.000 2.557 436 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.292 436 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.292 436 G C 0.471 175.442 174.900 0.118 0.000 1.162 436 G CA 1.008 46.163 45.100 0.093 0.000 0.964 436 G HN 1.276 nan 8.290 nan 0.000 0.541 437 T N 0.280 114.910 114.554 0.127 0.000 2.881 437 T HA 0.608 4.958 4.350 -0.000 0.000 0.291 437 T C 0.419 175.182 174.700 0.106 0.000 0.990 437 T CA 1.295 63.472 62.100 0.128 0.000 0.976 437 T CB 0.078 69.045 68.868 0.165 0.000 0.970 437 T HN 2.103 nan 8.240 nan 0.000 0.438 438 N N 2.660 121.408 118.700 0.081 0.000 2.102 438 N HA 0.123 4.863 4.740 -0.000 0.000 0.279 438 N C 1.372 176.922 175.510 0.068 0.000 1.369 438 N CA 0.660 53.749 53.050 0.063 0.000 1.045 438 N CB -1.164 37.354 38.487 0.052 0.000 1.470 438 N HN 1.557 nan 8.380 nan 0.000 0.481 439 G N 1.477 110.313 108.800 0.060 0.000 2.263 439 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.266 439 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.266 439 G C 0.462 175.397 174.900 0.058 0.000 0.817 439 G CA 0.909 46.038 45.100 0.048 0.000 1.111 439 G HN 0.987 nan 8.290 nan 0.000 0.445 440 T N 1.226 115.843 114.554 0.105 0.000 3.145 440 T HA 0.500 4.850 4.350 -0.000 0.000 0.362 440 T C 0.978 175.764 174.700 0.143 0.000 1.340 440 T CA 0.127 62.308 62.100 0.134 0.000 1.069 440 T CB 0.542 69.519 68.868 0.182 0.000 1.129 440 T HN 0.778 nan 8.240 nan 0.000 0.585 441 S N 1.672 117.358 115.700 -0.024 0.000 2.626 441 S HA 0.221 4.690 4.470 -0.000 0.000 0.257 441 S C 1.749 176.086 174.600 -0.439 0.000 1.288 441 S CA -0.752 57.292 58.200 -0.261 0.000 0.980 441 S CB 0.666 63.747 63.200 -0.199 0.000 0.975 441 S HN 0.245 nan 8.310 nan 0.000 0.577 442 V N 0.608 120.061 119.914 -0.768 0.000 2.688 442 V HA -0.130 3.990 4.120 -0.000 0.000 0.256 442 V C 2.482 178.468 176.094 -0.179 0.000 1.084 442 V CA 2.403 64.368 62.300 -0.558 0.000 1.103 442 V CB -0.969 30.581 31.823 -0.454 0.000 0.688 442 V HN 0.982 nan 8.190 nan 0.000 0.480 443 E N 0.196 120.302 120.200 -0.157 0.000 2.122 443 E HA -0.110 4.239 4.350 -0.000 0.000 0.190 443 E C 0.543 177.130 176.600 -0.022 0.000 0.977 443 E CA 1.053 57.408 56.400 -0.075 0.000 0.820 443 E CB 0.137 29.792 29.700 -0.075 0.000 0.770 443 E HN 0.864 nan 8.360 nan 0.000 0.462 444 D N 0.647 121.043 120.400 -0.007 0.000 3.123 444 D HA 0.152 4.792 4.640 -0.000 0.000 0.305 444 D C 0.058 176.400 176.300 0.071 0.000 1.373 444 D CA -0.328 53.691 54.000 0.032 0.000 0.889 444 D CB -0.512 40.303 40.800 0.026 0.000 1.070 444 D HN 0.182 nan 8.370 nan 0.000 0.494 445 I N -3.636 116.985 120.570 0.085 0.000 2.676 445 I HA 0.596 4.765 4.170 -0.000 0.000 0.309 445 I C -2.368 173.795 176.117 0.077 0.000 0.990 445 I CA -2.830 58.526 61.300 0.094 0.000 1.168 445 I CB 1.243 39.318 38.000 0.124 0.000 1.343 445 I HN -0.271 nan 8.210 nan 0.000 0.482 446 P HA 0.052 nan 4.420 nan 0.000 0.270 446 P C -0.925 176.448 177.300 0.121 0.000 1.242 446 P CA -0.092 63.085 63.100 0.128 0.000 0.768 446 P CB 0.576 32.376 31.700 0.168 0.000 0.820 447 C N 5.713 125.134 119.300 0.202 0.000 2.346 447 C HA 0.570 5.030 4.460 -0.000 0.000 0.326 447 C C 0.354 175.523 174.990 0.298 0.000 1.224 447 C CA -0.360 58.797 59.018 0.231 0.000 1.408 447 C CB 0.041 27.878 27.740 0.161 0.000 2.089 447 C HN 0.558 nan 8.230 nan 0.000 0.456 448 V N 3.741 123.854 119.914 0.332 0.000 3.369 448 V HA 1.035 5.155 4.120 -0.000 0.000 0.301 448 V C 0.083 176.332 176.094 0.259 0.000 1.184 448 V CA -0.179 62.262 62.300 0.235 0.000 1.013 448 V CB 1.397 33.294 31.823 0.123 0.000 1.230 448 V HN 1.491 nan 8.190 nan 0.000 0.464 449 A N 0.037 122.944 122.820 0.145 0.000 2.429 449 A HA 0.749 5.069 4.320 -0.000 0.000 0.289 449 A C -1.155 176.437 177.584 0.014 0.000 1.043 449 A CA -0.427 51.650 52.037 0.066 0.000 0.722 449 A CB 1.646 20.729 19.000 0.138 0.000 1.243 449 A HN 1.208 nan 8.150 nan 0.000 0.415 450 V N 3.277 123.165 119.914 -0.044 0.000 2.334 450 V HA 0.569 4.689 4.120 -0.000 0.000 0.281 450 V C -0.592 175.431 176.094 -0.119 0.000 1.016 450 V CA -0.210 62.064 62.300 -0.044 0.000 0.832 450 V CB 0.985 32.805 31.823 -0.006 0.000 0.999 450 V HN 1.043 nan 8.190 nan 0.000 0.439 451 E N 4.093 124.197 120.200 -0.160 0.000 2.314 451 E HA 0.844 5.194 4.350 -0.000 0.000 0.272 451 E C -0.438 176.022 176.600 -0.233 0.000 0.884 451 E CA -0.840 55.360 56.400 -0.333 0.000 0.753 451 E CB 2.222 31.466 29.700 -0.761 0.000 1.213 451 E HN 0.502 nan 8.360 nan 0.000 0.432 452 A N 2.231 124.913 122.820 -0.231 0.000 2.663 452 A HA 0.724 5.044 4.320 -0.000 0.000 0.273 452 A C 0.771 178.272 177.584 -0.139 0.000 0.932 452 A CA -0.017 51.935 52.037 -0.141 0.000 1.055 452 A CB -0.625 18.322 19.000 -0.089 0.000 1.206 452 A HN 1.461 nan 8.150 nan 0.000 0.485 453 G N 0.536 109.218 108.800 -0.196 0.000 2.855 453 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.352 453 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.352 453 G C -2.852 171.979 174.900 -0.114 0.000 1.415 453 G CA -0.533 44.481 45.100 -0.143 0.000 0.871 453 G HN 0.345 nan 8.290 nan 0.000 0.543 454 P HA 0.421 nan 4.420 nan 0.000 0.267 454 P C 0.374 177.667 177.300 -0.012 0.000 1.205 454 P CA 0.208 63.292 63.100 -0.026 0.000 0.765 454 P CB 0.265 31.963 31.700 -0.003 0.000 0.828 455 I N 2.056 122.629 120.570 0.006 0.000 2.831 455 I HA 0.093 4.263 4.170 -0.000 0.000 0.326 455 I C 1.151 177.299 176.117 0.052 0.000 1.449 455 I CA -0.076 61.248 61.300 0.040 0.000 0.809 455 I CB 0.314 38.344 38.000 0.051 0.000 2.112 455 I HN 0.305 nan 8.210 nan 0.000 0.584 456 E N 1.324 121.544 120.200 0.033 0.000 2.169 456 E HA -0.261 4.089 4.350 -0.000 0.000 0.202 456 E C 1.968 178.567 176.600 -0.003 0.000 1.016 456 E CA 1.529 57.939 56.400 0.018 0.000 0.817 456 E CB 0.142 29.851 29.700 0.015 0.000 0.736 456 E HN 0.581 nan 8.360 nan 0.000 0.462 457 I N 0.443 121.024 120.570 0.018 0.000 3.164 457 I HA -0.214 3.955 4.170 -0.000 0.000 0.278 457 I C 1.794 177.743 176.117 -0.281 0.000 1.320 457 I CA 0.808 62.080 61.300 -0.046 0.000 1.422 457 I CB 0.069 38.141 38.000 0.120 0.000 1.066 457 I HN 0.138 nan 8.210 nan 0.000 0.503 458 M N -0.870 118.647 119.600 -0.137 0.000 2.435 458 M HA 0.092 4.572 4.480 -0.000 0.000 0.265 458 M C 1.865 178.069 176.300 -0.160 0.000 1.104 458 M CA 1.006 56.181 55.300 -0.208 0.000 1.140 458 M CB -0.152 32.483 32.600 0.058 0.000 1.372 458 M HN 0.386 nan 8.290 nan 0.000 0.456 459 G N -0.794 107.949 108.800 -0.095 0.000 2.985 459 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.209 459 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.209 459 G C 0.433 175.284 174.900 -0.082 0.000 1.165 459 G CA 0.208 45.272 45.100 -0.060 0.000 0.776 459 G HN 0.287 nan 8.290 nan 0.000 0.541 460 D N 0.069 120.382 120.400 -0.145 0.000 2.402 460 D HA 0.208 4.848 4.640 -0.000 0.000 0.216 460 D C 0.155 176.349 176.300 -0.176 0.000 1.128 460 D CA -0.188 53.732 54.000 -0.134 0.000 0.833 460 D CB 0.983 41.712 40.800 -0.118 0.000 0.971 460 D HN 0.367 nan 8.370 nan 0.000 0.503 461 I N 0.147 120.592 120.570 -0.208 0.000 2.509 461 I HA 0.248 4.418 4.170 -0.000 0.000 0.293 461 I C -0.126 175.997 176.117 0.009 0.000 1.020 461 I CA -0.331 60.880 61.300 -0.148 0.000 1.088 461 I CB 2.068 39.906 38.000 -0.270 0.000 1.267 461 I HN -0.298 nan 8.210 nan 0.000 0.430 462 T N 4.998 119.589 114.554 0.063 0.000 2.860 462 T HA 0.401 4.751 4.350 -0.000 0.000 0.299 462 T C 1.048 175.912 174.700 0.274 0.000 1.045 462 T CA 0.889 63.061 62.100 0.121 0.000 1.071 462 T CB 0.979 69.906 68.868 0.099 0.000 0.985 462 T HN 1.284 nan 8.240 nan 0.000 0.537 463 A N 2.048 124.960 122.820 0.153 0.000 4.414 463 A HA -0.273 4.047 4.320 -0.000 0.000 0.259 463 A C 2.186 179.737 177.584 -0.055 0.000 0.774 463 A CA 2.774 54.848 52.037 0.063 0.000 1.184 463 A CB -3.022 16.128 19.000 0.250 0.000 1.070 463 A HN 1.935 nan 8.150 nan 0.000 0.747 464 S N -1.020 114.762 115.700 0.138 0.000 2.465 464 S HA -0.225 4.245 4.470 -0.000 0.000 0.263 464 S C 2.208 176.807 174.600 -0.002 0.000 1.135 464 S CA 2.427 60.715 58.200 0.147 0.000 1.118 464 S CB -1.701 61.574 63.200 0.125 0.000 0.994 464 S HN 2.186 nan 8.310 nan 0.000 0.455 465 G N -0.699 108.046 108.800 -0.091 0.000 2.551 465 G HA2 0.004 3.964 3.960 -0.000 0.000 0.216 465 G HA3 0.004 3.964 3.960 -0.000 0.000 0.216 465 G C 1.418 176.130 174.900 -0.314 0.000 1.137 465 G CA 0.686 45.682 45.100 -0.173 0.000 0.798 465 G HN 0.644 nan 8.290 nan 0.000 0.536 466 C N -0.137 118.919 119.300 -0.406 0.000 2.486 466 C HA 0.106 4.566 4.460 -0.000 0.000 0.279 466 C C 3.241 177.799 174.990 -0.720 0.000 1.302 466 C CA 1.044 59.636 59.018 -0.711 0.000 1.720 466 C CB -0.547 26.527 27.740 -1.109 0.000 2.030 466 C HN 0.388 nan 8.230 nan 0.000 0.490 467 S N 0.834 116.195 115.700 -0.566 0.000 2.419 467 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 467 S C 1.715 176.050 174.600 -0.442 0.000 1.016 467 S CA 0.909 58.895 58.200 -0.356 0.000 0.974 467 S CB -0.402 62.470 63.200 -0.546 0.000 0.786 467 S HN 0.522 nan 8.310 nan 0.000 0.492 468 L N 2.070 122.809 121.223 -0.808 0.000 2.012 468 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 468 L C 2.229 178.811 176.870 -0.480 0.000 1.073 468 L CA 2.283 56.484 54.840 -1.066 0.000 0.748 468 L CB -1.471 40.026 42.059 -0.937 0.000 0.891 468 L HN 0.296 nan 8.230 nan 0.000 0.431 469 G N -1.649 106.928 108.800 -0.370 0.000 2.450 469 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.220 469 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.220 469 G C 1.537 176.337 174.900 -0.166 0.000 1.130 469 G CA 0.940 45.890 45.100 -0.251 0.000 0.760 469 G HN 0.510 nan 8.290 nan 0.000 0.557 470 S N -0.074 115.564 115.700 -0.103 0.000 2.453 470 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 470 S C 2.398 177.010 174.600 0.019 0.000 1.005 470 S CA 1.359 59.591 58.200 0.053 0.000 0.949 470 S CB -0.075 63.278 63.200 0.256 0.000 0.774 470 S HN 0.437 nan 8.310 nan 0.000 0.510 471 T N 2.610 117.133 114.554 -0.052 0.000 2.781 471 T HA 0.181 4.531 4.350 -0.000 0.000 0.252 471 T C 1.797 176.493 174.700 -0.006 0.000 1.039 471 T CA 0.647 62.746 62.100 -0.001 0.000 1.147 471 T CB -0.305 68.573 68.868 0.017 0.000 0.865 471 T HN 0.284 nan 8.240 nan 0.000 0.423 472 I N 1.968 122.508 120.570 -0.050 0.000 2.194 472 I HA -0.257 3.913 4.170 -0.000 0.000 0.246 472 I C 2.975 179.092 176.117 -0.001 0.000 1.093 472 I CA 1.319 62.610 61.300 -0.016 0.000 1.355 472 I CB -0.767 37.211 38.000 -0.036 0.000 1.046 472 I HN 0.196 nan 8.210 nan 0.000 0.413 473 A N 0.594 123.396 122.820 -0.030 0.000 1.859 473 A HA -0.287 4.032 4.320 -0.000 0.000 0.217 473 A C 2.463 180.054 177.584 0.011 0.000 1.198 473 A CA 2.311 54.331 52.037 -0.028 0.000 0.629 473 A CB -1.417 17.535 19.000 -0.080 0.000 0.830 473 A HN 0.586 nan 8.150 nan 0.000 0.446 474 C N -0.618 118.697 119.300 0.025 0.000 2.410 474 C HA -0.104 4.356 4.460 -0.000 0.000 0.281 474 C C 2.865 177.882 174.990 0.045 0.000 1.318 474 C CA 1.296 60.341 59.018 0.046 0.000 1.776 474 C CB -1.190 26.586 27.740 0.060 0.000 1.942 474 C HN 0.571 nan 8.230 nan 0.000 0.508 475 M N 0.451 120.080 119.600 0.047 0.000 2.216 475 M HA 0.074 4.554 4.480 -0.000 0.000 0.264 475 M C 2.026 178.359 176.300 0.055 0.000 1.080 475 M CA 1.579 56.912 55.300 0.054 0.000 1.153 475 M CB -1.216 31.424 32.600 0.066 0.000 1.356 475 M HN 0.316 nan 8.290 nan 0.000 0.432 476 I N 0.206 120.811 120.570 0.057 0.000 2.454 476 I HA -0.149 4.021 4.170 -0.000 0.000 0.254 476 I C 2.505 178.666 176.117 0.074 0.000 1.156 476 I CA 1.139 62.478 61.300 0.064 0.000 1.433 476 I CB -1.191 36.846 38.000 0.062 0.000 1.082 476 I HN 0.323 nan 8.210 nan 0.000 0.432 477 G N 0.964 109.806 108.800 0.069 0.000 2.432 477 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 477 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 477 G C 1.685 176.636 174.900 0.086 0.000 1.135 477 G CA 0.848 46.005 45.100 0.095 0.000 0.767 477 G HN 0.502 nan 8.290 nan 0.000 0.550 478 G N -0.431 108.382 108.800 0.022 0.000 2.426 478 G HA2 0.043 4.003 3.960 -0.000 0.000 0.214 478 G HA3 0.043 4.003 3.960 -0.000 0.000 0.214 478 G C 0.833 175.714 174.900 -0.031 0.000 1.156 478 G CA -0.137 44.924 45.100 -0.065 0.000 0.802 478 G HN 0.303 nan 8.290 nan 0.000 0.534 479 Q N 1.424 121.247 119.800 0.038 0.000 2.431 479 Q HA 0.057 4.397 4.340 -0.000 0.000 0.349 479 Q C -2.003 174.061 176.000 0.106 0.000 1.119 479 Q CA -0.174 55.665 55.803 0.060 0.000 1.065 479 Q CB 0.763 29.539 28.738 0.063 0.000 1.149 479 Q HN 0.307 nan 8.270 nan 0.000 0.403 480 P HA 0.200 nan 4.420 nan 0.000 0.304 480 P C 0.473 177.813 177.300 0.067 0.000 1.310 480 P CA -0.525 62.648 63.100 0.123 0.000 0.796 480 P CB 0.811 32.564 31.700 0.089 0.000 1.297 481 S N 0.017 115.745 115.700 0.047 0.000 2.377 481 S HA -0.227 4.243 4.470 -0.000 0.000 0.224 481 S C 1.315 175.919 174.600 0.007 0.000 1.042 481 S CA 2.259 60.466 58.200 0.013 0.000 1.086 481 S CB -1.252 61.951 63.200 0.004 0.000 0.995 481 S HN 0.547 nan 8.310 nan 0.000 0.428 482 E N 1.566 121.775 120.200 0.014 0.000 2.510 482 E HA 0.187 4.537 4.350 -0.000 0.000 0.202 482 E C 1.214 177.827 176.600 0.021 0.000 1.072 482 E CA 0.471 56.878 56.400 0.013 0.000 0.883 482 E CB -1.077 28.632 29.700 0.016 0.000 0.818 482 E HN 0.518 nan 8.360 nan 0.000 0.548 483 G N 1.113 109.929 108.800 0.026 0.000 2.332 483 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.311 483 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.311 483 G C -0.254 174.668 174.900 0.037 0.000 1.392 483 G CA -0.031 45.091 45.100 0.037 0.000 1.110 483 G HN 0.371 nan 8.290 nan 0.000 0.594 484 N N -2.191 116.538 118.700 0.048 0.000 2.648 484 N HA 0.180 4.920 4.740 -0.000 0.000 0.272 484 N C 0.588 176.126 175.510 0.047 0.000 1.118 484 N CA -0.651 52.419 53.050 0.032 0.000 0.973 484 N CB 1.238 39.742 38.487 0.029 0.000 1.565 484 N HN 0.323 nan 8.380 nan 0.000 0.542 485 L N 4.318 125.563 121.223 0.037 0.000 1.971 485 L HA -0.034 4.306 4.340 -0.000 0.000 0.215 485 L C 1.673 178.642 176.870 0.166 0.000 1.072 485 L CA 1.958 56.842 54.840 0.074 0.000 0.758 485 L CB -0.895 41.188 42.059 0.040 0.000 0.889 485 L HN 0.754 nan 8.230 nan 0.000 0.433 486 F N 0.541 120.454 119.950 -0.062 0.000 2.015 486 F HA -0.327 4.199 4.527 -0.000 0.000 0.297 486 F C 2.820 178.627 175.800 0.012 0.000 1.141 486 F CA 2.380 60.346 58.000 -0.058 0.000 1.192 486 F CB -1.273 37.633 39.000 -0.156 0.000 0.957 486 F HN 0.350 nan 8.300 nan 0.000 0.491 487 H N -0.042 119.018 119.070 -0.017 0.000 2.431 487 H HA -0.110 4.446 4.556 -0.000 0.000 0.297 487 H C 2.260 177.557 175.328 -0.051 0.000 1.115 487 H CA 1.343 57.295 56.048 -0.160 0.000 1.277 487 H CB -1.186 28.520 29.762 -0.094 0.000 1.372 487 H HN 0.354 nan 8.280 nan 0.000 0.516 488 A N 0.317 123.223 122.820 0.142 0.000 2.015 488 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 488 A C 2.767 180.414 177.584 0.105 0.000 1.163 488 A CA 1.207 53.309 52.037 0.109 0.000 0.646 488 A CB -0.412 18.645 19.000 0.096 0.000 0.806 488 A HN 0.239 nan 8.150 nan 0.000 0.448 489 V N -0.665 119.330 119.914 0.135 0.000 2.379 489 V HA -0.148 3.972 4.120 -0.000 0.000 0.243 489 V C 2.533 178.692 176.094 0.107 0.000 1.035 489 V CA 1.650 64.032 62.300 0.138 0.000 1.035 489 V CB -0.523 31.427 31.823 0.211 0.000 0.673 489 V HN 0.340 nan 8.190 nan 0.000 0.457 490 V N 0.843 120.793 119.914 0.060 0.000 2.380 490 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 490 V C 2.711 178.829 176.094 0.041 0.000 1.063 490 V CA 2.022 64.320 62.300 -0.003 0.000 1.055 490 V CB -1.393 30.316 31.823 -0.191 0.000 0.657 490 V HN 0.545 nan 8.190 nan 0.000 0.455 491 A N 0.940 123.794 122.820 0.057 0.000 1.851 491 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 491 A C 2.470 180.147 177.584 0.154 0.000 1.195 491 A CA 2.172 54.275 52.037 0.110 0.000 0.622 491 A CB -1.434 17.625 19.000 0.097 0.000 0.831 491 A HN 0.539 nan 8.150 nan 0.000 0.444 492 G N -1.076 107.793 108.800 0.115 0.000 2.448 492 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.219 492 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.219 492 G C 1.402 176.364 174.900 0.104 0.000 1.127 492 G CA 1.164 46.325 45.100 0.102 0.000 0.766 492 G HN 0.344 nan 8.290 nan 0.000 0.552 493 V N 1.147 121.119 119.914 0.097 0.000 2.453 493 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 493 V C 2.870 179.038 176.094 0.123 0.000 1.048 493 V CA 1.422 63.780 62.300 0.097 0.000 1.049 493 V CB -0.258 31.613 31.823 0.079 0.000 0.672 493 V HN 0.314 nan 8.190 nan 0.000 0.457 494 M N -0.597 119.082 119.600 0.131 0.000 2.101 494 M HA -0.159 4.321 4.480 -0.000 0.000 0.259 494 M C 2.330 178.668 176.300 0.064 0.000 1.083 494 M CA 1.837 57.229 55.300 0.154 0.000 1.114 494 M CB -1.188 31.586 32.600 0.290 0.000 1.281 494 M HN 0.250 nan 8.290 nan 0.000 0.422 495 L N -0.627 120.619 121.223 0.039 0.000 2.230 495 L HA -0.313 4.027 4.340 -0.000 0.000 0.217 495 L C 2.488 179.237 176.870 -0.202 0.000 1.090 495 L CA 1.750 56.385 54.840 -0.341 0.000 0.771 495 L CB -0.390 41.594 42.059 -0.124 0.000 0.892 495 L HN 0.244 nan 8.230 nan 0.000 0.438 496 Y N 0.095 120.317 120.300 -0.129 0.000 2.201 496 Y HA -0.214 4.336 4.550 -0.000 0.000 0.292 496 Y C 2.616 178.468 175.900 -0.081 0.000 1.119 496 Y CA 1.825 59.873 58.100 -0.087 0.000 1.127 496 Y CB -0.027 38.411 38.460 -0.037 0.000 1.019 496 Y HN -0.024 nan 8.280 nan 0.000 0.514 497 K N 0.307 120.732 120.400 0.042 0.000 2.209 497 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 497 K C 2.038 178.568 176.600 -0.118 0.000 1.048 497 K CA 1.184 57.456 56.287 -0.024 0.000 0.940 497 K CB -0.381 32.126 32.500 0.012 0.000 0.729 497 K HN 0.384 nan 8.250 nan 0.000 0.451 498 A N 0.453 123.170 122.820 -0.171 0.000 1.855 498 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 498 A C 2.311 179.697 177.584 -0.329 0.000 1.191 498 A CA 1.664 53.545 52.037 -0.260 0.000 0.613 498 A CB -1.016 17.707 19.000 -0.461 0.000 0.829 498 A HN 0.364 nan 8.150 nan 0.000 0.442 499 A N -0.546 122.036 122.820 -0.398 0.000 2.125 499 A HA 0.177 4.497 4.320 -0.000 0.000 0.219 499 A C 2.192 179.578 177.584 -0.329 0.000 1.156 499 A CA 1.738 53.563 52.037 -0.354 0.000 0.671 499 A CB -1.079 17.716 19.000 -0.342 0.000 0.794 499 A HN 0.659 nan 8.150 nan 0.000 0.459 500 G N 0.021 108.634 108.800 -0.311 0.000 2.424 500 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 500 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 500 G C 1.607 176.389 174.900 -0.197 0.000 1.202 500 G CA 1.187 46.148 45.100 -0.231 0.000 0.793 500 G HN 0.459 nan 8.290 nan 0.000 0.534 501 K N 0.914 121.224 120.400 -0.149 0.000 2.034 501 K HA -0.111 4.209 4.320 -0.000 0.000 0.214 501 K C 2.395 178.901 176.600 -0.157 0.000 1.051 501 K CA 1.266 57.482 56.287 -0.119 0.000 0.931 501 K CB -0.837 31.607 32.500 -0.093 0.000 0.715 501 K HN 0.430 nan 8.250 nan 0.000 0.446 502 I N 0.197 120.657 120.570 -0.184 0.000 2.053 502 I HA -0.397 3.773 4.170 -0.000 0.000 0.236 502 I C 2.255 178.218 176.117 -0.256 0.000 1.038 502 I CA 1.820 63.005 61.300 -0.192 0.000 1.304 502 I CB -0.722 37.162 38.000 -0.195 0.000 1.023 502 I HN 0.296 nan 8.210 nan 0.000 0.395 503 A N 0.745 123.337 122.820 -0.380 0.000 1.986 503 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 503 A C 2.430 179.656 177.584 -0.597 0.000 1.171 503 A CA 2.511 54.213 52.037 -0.558 0.000 0.640 503 A CB -0.930 17.553 19.000 -0.862 0.000 0.811 503 A HN 0.643 nan 8.150 nan 0.000 0.451 504 S N -0.341 115.069 115.700 -0.484 0.000 2.423 504 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 504 S C 1.532 176.061 174.600 -0.118 0.000 1.014 504 S CA 1.295 59.368 58.200 -0.213 0.000 0.965 504 S CB -0.354 62.831 63.200 -0.025 0.000 0.785 504 S HN 0.704 nan 8.310 nan 0.000 0.495 505 E N 1.140 121.260 120.200 -0.134 0.000 2.230 505 E HA 0.084 4.434 4.350 -0.000 0.000 0.192 505 E C 1.405 177.952 176.600 -0.088 0.000 0.987 505 E CA 0.598 56.945 56.400 -0.088 0.000 0.841 505 E CB 0.058 29.710 29.700 -0.081 0.000 0.783 505 E HN 0.547 nan 8.360 nan 0.000 0.481 506 K N 0.400 120.725 120.400 -0.125 0.000 2.399 506 K HA 0.140 4.460 4.320 -0.000 0.000 0.204 506 K C 0.543 177.084 176.600 -0.097 0.000 1.023 506 K CA -0.082 56.142 56.287 -0.106 0.000 1.127 506 K CB 0.476 32.904 32.500 -0.120 0.000 0.856 506 K HN 0.174 nan 8.250 nan 0.000 0.514 507 C N -0.949 118.296 119.300 -0.091 0.000 2.662 507 C HA 0.478 4.938 4.460 -0.000 0.000 0.408 507 C C 0.841 175.820 174.990 -0.018 0.000 2.199 507 C CA -0.771 58.213 59.018 -0.056 0.000 1.790 507 C CB 0.598 28.312 27.740 -0.043 0.000 2.162 507 C HN 0.331 nan 8.230 nan 0.000 0.448 508 N N -0.330 118.374 118.700 0.007 0.000 1.952 508 N HA 0.372 5.112 4.740 -0.000 0.000 0.228 508 N C 0.279 175.804 175.510 0.025 0.000 1.398 508 N CA 0.752 53.808 53.050 0.010 0.000 0.817 508 N CB 1.535 40.022 38.487 -0.000 0.000 1.101 508 N HN 1.116 nan 8.380 nan 0.000 0.498 509 G N 0.130 108.959 108.800 0.048 0.000 2.341 509 G HA2 0.242 4.202 3.960 -0.000 0.000 0.299 509 G HA3 0.242 4.202 3.960 -0.000 0.000 0.299 509 G C -0.176 174.776 174.900 0.087 0.000 1.274 509 G CA -0.096 45.035 45.100 0.052 0.000 0.853 509 G HN -0.112 nan 8.290 nan 0.000 0.493 510 S N -0.310 115.415 115.700 0.041 0.000 2.345 510 S HA -0.002 4.467 4.470 -0.000 0.000 0.220 510 S C 2.531 177.154 174.600 0.039 0.000 1.031 510 S CA 2.064 60.273 58.200 0.016 0.000 0.996 510 S CB -0.746 62.429 63.200 -0.041 0.000 0.882 510 S HN 1.237 nan 8.310 nan 0.000 0.445 511 G N 1.686 110.491 108.800 0.009 0.000 2.476 511 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 511 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 511 G C 1.659 176.564 174.900 0.008 0.000 1.164 511 G CA 1.532 46.625 45.100 -0.011 0.000 0.768 511 G HN 0.661 nan 8.290 nan 0.000 0.560 512 S N -0.497 115.221 115.700 0.029 0.000 2.489 512 S HA 0.070 4.540 4.470 -0.000 0.000 0.228 512 S C 2.050 176.674 174.600 0.041 0.000 0.995 512 S CA 0.768 58.977 58.200 0.014 0.000 0.934 512 S CB -0.411 62.786 63.200 -0.004 0.000 0.771 512 S HN 0.380 nan 8.310 nan 0.000 0.522 513 F N 2.069 121.982 119.950 -0.063 0.000 2.126 513 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 513 F C 2.713 178.469 175.800 -0.074 0.000 1.096 513 F CA 1.954 59.918 58.000 -0.059 0.000 1.255 513 F CB -0.313 38.659 39.000 -0.046 0.000 0.997 513 F HN 0.314 nan 8.300 nan 0.000 0.479 514 Q N -0.067 119.906 119.800 0.289 0.000 2.020 514 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 514 Q C 2.340 178.337 176.000 -0.005 0.000 0.982 514 Q CA 2.159 58.023 55.803 0.101 0.000 0.838 514 Q CB -0.485 28.134 28.738 -0.198 0.000 0.899 514 Q HN 0.430 nan 8.270 nan 0.000 0.423 515 V N 0.648 120.536 119.914 -0.042 0.000 2.407 515 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 515 V C 1.777 177.836 176.094 -0.059 0.000 1.055 515 V CA 2.056 64.323 62.300 -0.056 0.000 1.049 515 V CB -0.308 31.479 31.823 -0.060 0.000 0.662 515 V HN 0.399 nan 8.190 nan 0.000 0.455 516 E N -0.198 119.948 120.200 -0.089 0.000 2.285 516 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 516 E C 2.018 178.514 176.600 -0.174 0.000 0.997 516 E CA 0.918 57.235 56.400 -0.137 0.000 0.845 516 E CB -0.090 29.500 29.700 -0.184 0.000 0.782 516 E HN 0.643 nan 8.360 nan 0.000 0.491 517 L N 0.283 121.410 121.223 -0.161 0.000 2.007 517 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 517 L C 2.315 179.168 176.870 -0.028 0.000 1.073 517 L CA 0.992 55.755 54.840 -0.127 0.000 0.744 517 L CB -0.257 41.840 42.059 0.062 0.000 0.898 517 L HN 0.086 nan 8.230 nan 0.000 0.435 518 I N 0.244 120.849 120.570 0.058 0.000 2.151 518 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 518 I C 2.084 178.240 176.117 0.066 0.000 1.080 518 I CA 1.617 62.978 61.300 0.102 0.000 1.339 518 I CB -0.369 37.694 38.000 0.106 0.000 1.039 518 I HN 0.353 nan 8.210 nan 0.000 0.409 519 D N 0.861 121.272 120.400 0.019 0.000 2.092 519 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 519 D C 2.222 178.555 176.300 0.055 0.000 0.994 519 D CA 1.718 55.739 54.000 0.036 0.000 0.828 519 D CB -0.224 40.566 40.800 -0.017 0.000 0.963 519 D HN 0.346 nan 8.370 nan 0.000 0.450 520 A N -0.011 122.788 122.820 -0.035 0.000 1.978 520 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 520 A C 2.330 179.855 177.584 -0.098 0.000 1.170 520 A CA 1.005 52.989 52.037 -0.088 0.000 0.636 520 A CB -0.682 18.218 19.000 -0.167 0.000 0.810 520 A HN 0.251 nan 8.150 nan 0.000 0.448 521 L N -2.478 118.709 121.223 -0.059 0.000 2.005 521 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 521 L C 2.513 179.385 176.870 0.004 0.000 1.072 521 L CA 1.712 56.522 54.840 -0.051 0.000 0.744 521 L CB -0.687 41.381 42.059 0.015 0.000 0.895 521 L HN 0.556 nan 8.230 nan 0.000 0.433 522 Y N 0.938 121.218 120.300 -0.033 0.000 2.139 522 Y HA -0.333 4.217 4.550 -0.000 0.000 0.282 522 Y C 2.702 178.593 175.900 -0.017 0.000 1.179 522 Y CA 1.742 59.833 58.100 -0.014 0.000 1.161 522 Y CB -0.108 38.346 38.460 -0.009 0.000 0.970 522 Y HN 0.018 nan 8.280 nan 0.000 0.511 523 R N -1.112 119.373 120.500 -0.026 0.000 2.055 523 R HA -0.091 4.249 4.340 -0.000 0.000 0.226 523 R C 2.089 178.329 176.300 -0.100 0.000 1.135 523 R CA 0.998 57.048 56.100 -0.084 0.000 0.959 523 R CB -0.787 29.521 30.300 0.012 0.000 0.854 523 R HN 0.256 nan 8.270 nan 0.000 0.431 524 L N 1.395 122.558 121.223 -0.099 0.000 2.064 524 L HA -0.264 4.075 4.340 -0.000 0.000 0.216 524 L C 2.465 179.341 176.870 0.009 0.000 1.077 524 L CA 2.407 57.183 54.840 -0.106 0.000 0.766 524 L CB -1.211 40.645 42.059 -0.338 0.000 0.890 524 L HN 0.435 nan 8.230 nan 0.000 0.435 525 T N -3.802 110.722 114.554 -0.049 0.000 2.735 525 T HA -0.189 4.161 4.350 -0.000 0.000 0.256 525 T C 2.039 176.717 174.700 -0.036 0.000 1.042 525 T CA 0.812 62.912 62.100 -0.001 0.000 1.147 525 T CB -0.446 68.398 68.868 -0.039 0.000 0.865 525 T HN 0.091 nan 8.240 nan 0.000 0.421 526 R N 1.979 122.387 120.500 -0.154 0.000 2.261 526 R HA -0.081 4.259 4.340 -0.000 0.000 0.236 526 R C 2.540 178.803 176.300 -0.062 0.000 1.141 526 R CA 1.677 57.689 56.100 -0.147 0.000 1.001 526 R CB -0.374 29.763 30.300 -0.272 0.000 0.866 526 R HN 0.885 nan 8.270 nan 0.000 0.468 527 E N -0.623 119.565 120.200 -0.020 0.000 2.166 527 E HA -0.124 4.225 4.350 -0.000 0.000 0.192 527 E C 0.236 176.871 176.600 0.057 0.000 0.967 527 E CA 0.394 56.807 56.400 0.022 0.000 0.840 527 E CB 0.078 29.801 29.700 0.039 0.000 0.795 527 E HN 0.065 nan 8.360 nan 0.000 0.470 528 N N 1.120 119.896 118.700 0.126 0.000 2.740 528 N HA -0.131 4.608 4.740 -0.000 0.000 0.248 528 N C -1.045 174.487 175.510 0.036 0.000 1.062 528 N CA 1.300 54.429 53.050 0.131 0.000 0.704 528 N CB -1.601 36.916 38.487 0.049 0.000 0.968 528 N HN 0.482 nan 8.380 nan 0.000 0.547 529 T N -2.929 111.666 114.554 0.068 0.000 3.377 529 T HA 0.458 4.808 4.350 -0.000 0.000 0.270 529 T C -1.660 172.860 174.700 -0.300 0.000 1.586 529 T CA -1.385 60.668 62.100 -0.079 0.000 1.487 529 T CB 1.303 70.164 68.868 -0.012 0.000 0.994 529 T HN -0.103 nan 8.240 nan 0.000 0.689 530 P HA -0.080 nan 4.420 nan 0.000 0.219 530 P C 2.013 178.838 177.300 -0.793 0.000 1.144 530 P CA 1.006 63.184 63.100 -1.536 0.000 0.806 530 P CB -0.242 30.699 31.700 -1.265 0.000 0.771 531 V N -0.803 118.866 119.914 -0.408 0.000 2.380 531 V HA -0.347 3.773 4.120 -0.000 0.000 0.251 531 V C 2.365 178.382 176.094 -0.128 0.000 1.063 531 V CA 3.068 65.238 62.300 -0.218 0.000 1.055 531 V CB -1.911 29.826 31.823 -0.143 0.000 0.657 531 V HN 0.138 nan 8.190 nan 0.000 0.455 532 T N -0.841 113.664 114.554 -0.082 0.000 2.622 532 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 532 T C 0.544 175.357 174.700 0.189 0.000 1.047 532 T CA 1.115 63.262 62.100 0.078 0.000 1.159 532 T CB -0.449 68.540 68.868 0.200 0.000 0.863 532 T HN 0.715 nan 8.240 nan 0.000 0.422 533 W N 1.885 123.162 121.300 -0.038 0.000 2.513 533 W HA 0.338 4.998 4.660 -0.000 0.000 0.339 533 W C 1.635 178.128 176.519 -0.043 0.000 1.257 533 W CA -0.954 56.367 57.345 -0.041 0.000 1.280 533 W CB -1.101 28.335 29.460 -0.040 0.000 1.214 533 W HN 0.347 nan 8.180 nan 0.000 0.567 534 A N 5.784 128.702 122.820 0.163 0.000 1.929 534 A HA -0.187 4.133 4.320 -0.000 0.000 0.221 534 A C -0.731 176.884 177.584 0.051 0.000 1.211 534 A CA 1.339 53.415 52.037 0.064 0.000 0.657 534 A CB -2.336 16.666 19.000 0.003 0.000 0.827 534 A HN 0.481 nan 8.150 nan 0.000 0.462 535 P HA 0.303 nan 4.420 nan 0.000 0.275 535 P C -1.143 176.173 177.300 0.027 0.000 1.227 535 P CA -0.078 63.036 63.100 0.024 0.000 0.781 535 P CB 0.791 32.511 31.700 0.034 0.000 0.906 536 K N 2.183 122.578 120.400 -0.009 0.000 2.183 536 K HA 0.402 4.722 4.320 -0.000 0.000 0.274 536 K C -0.343 176.254 176.600 -0.004 0.000 1.009 536 K CA -0.915 55.370 56.287 -0.004 0.000 0.888 536 K CB 0.941 33.438 32.500 -0.006 0.000 1.078 536 K HN 0.284 nan 8.250 nan 0.000 0.459 537 L N 3.809 125.030 121.223 -0.003 0.000 2.314 537 L HA 0.159 4.499 4.340 -0.000 0.000 0.275 537 L C 0.258 177.121 176.870 -0.011 0.000 1.068 537 L CA 0.103 54.936 54.840 -0.013 0.000 0.894 537 L CB 0.342 42.379 42.059 -0.036 0.000 1.275 537 L HN 0.808 nan 8.230 nan 0.000 0.432 538 T N 1.361 115.933 114.554 0.029 0.000 2.833 538 T HA 0.310 4.660 4.350 -0.000 0.000 0.312 538 T C 0.080 174.801 174.700 0.036 0.000 1.085 538 T CA -0.230 61.912 62.100 0.069 0.000 0.955 538 T CB 0.420 69.370 68.868 0.136 0.000 1.353 538 T HN 0.534 nan 8.240 nan 0.000 0.544 539 H N 0.067 119.207 119.070 0.116 0.000 2.495 539 H HA 0.540 5.096 4.556 -0.000 0.000 0.348 539 H C 0.904 176.321 175.328 0.149 0.000 1.113 539 H CA 0.018 56.144 56.048 0.130 0.000 1.195 539 H CB 1.280 31.105 29.762 0.104 0.000 1.521 539 H HN 1.111 nan 8.280 nan 0.000 0.509 540 T N 0.000 114.741 114.554 0.312 0.000 3.816 540 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 540 T CA 0.000 62.255 62.100 0.259 0.000 1.349 540 T CB 0.000 69.027 68.868 0.265 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658