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 3nl2_1_C DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREXXADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PTXXXXXXXX DATA SEQUENCE XXMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL STKNSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NXVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSXTETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSKGTNGTS VEDIPCVAVE DATA SEQUENCE XXXXXXXXXX XXXGCSLGST 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 0.000 176.408 176.600 -0.320 0.000 0.988 2 K CA 0.000 56.177 56.287 -0.184 0.000 0.838 2 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 3 F N 1.518 121.443 119.950 -0.042 0.000 2.432 3 F HA 0.676 5.203 4.527 -0.000 0.000 0.329 3 F C 1.398 177.261 175.800 0.105 0.000 1.076 3 F CA -0.356 57.617 58.000 -0.045 0.000 1.018 3 F CB 2.495 41.353 39.000 -0.237 0.000 1.201 3 F HN 0.599 nan 8.300 nan 0.000 0.489 4 S N 0.698 116.575 115.700 0.295 0.000 2.585 4 S HA 0.325 4.795 4.470 -0.000 0.000 0.277 4 S C 0.722 175.547 174.600 0.374 0.000 1.241 4 S CA -0.918 57.439 58.200 0.261 0.000 1.041 4 S CB 1.532 64.824 63.200 0.153 0.000 0.987 4 S HN 0.714 nan 8.310 nan 0.000 0.512 5 K N 1.015 121.585 120.400 0.283 0.000 2.207 5 K HA -0.229 4.090 4.320 -0.000 0.000 0.208 5 K C 1.387 178.163 176.600 0.294 0.000 1.046 5 K CA 2.245 58.663 56.287 0.218 0.000 0.929 5 K CB -0.244 32.320 32.500 0.106 0.000 0.720 5 K HN 0.675 nan 8.250 nan 0.000 0.463 6 E N 0.332 120.677 120.200 0.242 0.000 2.371 6 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 6 E C 1.265 177.969 176.600 0.174 0.000 1.012 6 E CA 0.520 57.037 56.400 0.196 0.000 0.860 6 E CB 0.201 29.988 29.700 0.144 0.000 0.811 6 E HN 0.286 nan 8.360 nan 0.000 0.502 7 Q N -0.443 119.473 119.800 0.194 0.000 2.482 7 Q HA 0.054 4.394 4.340 -0.000 0.000 0.209 7 Q C -0.458 175.496 176.000 -0.077 0.000 0.961 7 Q CA 0.001 55.861 55.803 0.095 0.000 0.945 7 Q CB 0.105 28.945 28.738 0.170 0.000 1.012 7 Q HN 0.208 nan 8.270 nan 0.000 0.515 8 F N 1.602 121.429 119.950 -0.204 0.000 2.438 8 F HA 0.040 4.567 4.527 -0.000 0.000 0.360 8 F C 0.421 175.867 175.800 -0.591 0.000 1.118 8 F CA -0.595 57.094 58.000 -0.519 0.000 1.164 8 F CB 0.564 39.173 39.000 -0.652 0.000 1.131 8 F HN -0.150 nan 8.300 nan 0.000 0.527 9 D N 4.049 124.170 120.400 -0.464 0.000 2.428 9 D HA 0.081 4.720 4.640 -0.000 0.000 0.221 9 D C 0.163 176.256 176.300 -0.346 0.000 1.123 9 D CA -0.134 53.688 54.000 -0.298 0.000 0.869 9 D CB 0.209 40.887 40.800 -0.204 0.000 1.032 9 D HN 0.428 nan 8.370 nan 0.000 0.506 10 Y N 1.691 121.939 120.300 -0.088 0.000 2.529 10 Y HA -0.016 4.534 4.550 -0.000 0.000 0.290 10 Y C 2.385 178.259 175.900 -0.043 0.000 1.177 10 Y CA -0.184 57.842 58.100 -0.124 0.000 1.305 10 Y CB 0.133 38.522 38.460 -0.119 0.000 1.047 10 Y HN 0.292 nan 8.280 nan 0.000 0.522 11 S N 0.676 116.420 115.700 0.073 0.000 2.452 11 S HA -0.243 4.227 4.470 -0.000 0.000 0.253 11 S C 0.617 175.260 174.600 0.073 0.000 1.061 11 S CA 1.475 59.714 58.200 0.065 0.000 1.273 11 S CB -0.579 62.636 63.200 0.026 0.000 1.191 11 S HN 0.264 nan 8.310 nan 0.000 0.430 12 L N 1.315 122.567 121.223 0.050 0.000 2.337 12 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 12 L C -1.418 175.515 176.870 0.105 0.000 1.018 12 L CA -0.581 54.297 54.840 0.062 0.000 0.876 12 L CB 0.697 42.772 42.059 0.026 0.000 1.236 12 L HN 0.297 nan 8.230 nan 0.000 0.436 13 Y N 5.564 125.855 120.300 -0.015 0.000 2.477 13 Y HA 0.403 4.953 4.550 -0.000 0.000 0.349 13 Y C -0.861 175.021 175.900 -0.030 0.000 0.977 13 Y CA -1.398 56.693 58.100 -0.017 0.000 1.214 13 Y CB 1.218 39.689 38.460 0.018 0.000 1.124 13 Y HN 0.577 nan 8.280 nan 0.000 0.521 14 L N 7.904 129.280 121.223 0.254 0.000 2.295 14 L HA 0.396 4.736 4.340 -0.000 0.000 0.288 14 L C -1.105 175.782 176.870 0.029 0.000 1.079 14 L CA -0.171 54.710 54.840 0.068 0.000 0.830 14 L CB 0.327 42.404 42.059 0.029 0.000 1.200 14 L HN 0.343 nan 8.230 nan 0.000 0.438 15 V N 4.555 124.395 119.914 -0.124 0.000 2.368 15 V HA 0.296 4.416 4.120 -0.000 0.000 0.266 15 V C 0.770 176.814 176.094 -0.083 0.000 1.045 15 V CA -0.214 61.993 62.300 -0.155 0.000 0.899 15 V CB 0.888 32.536 31.823 -0.292 0.000 1.006 15 V HN 0.879 nan 8.190 nan 0.000 0.470 16 T N 0.917 115.447 114.554 -0.040 0.000 2.897 16 T HA 0.347 4.697 4.350 -0.000 0.000 0.294 16 T C -0.399 174.276 174.700 -0.042 0.000 1.004 16 T CA -0.625 61.455 62.100 -0.033 0.000 1.106 16 T CB 1.411 70.270 68.868 -0.016 0.000 0.949 16 T HN 0.623 nan 8.240 nan 0.000 0.520 17 D N 2.025 122.404 120.400 -0.036 0.000 2.408 17 D HA 0.253 4.893 4.640 -0.000 0.000 0.261 17 D C 1.101 177.386 176.300 -0.024 0.000 1.190 17 D CA -0.468 53.511 54.000 -0.037 0.000 0.910 17 D CB 1.456 42.236 40.800 -0.033 0.000 1.097 17 D HN 0.539 nan 8.370 nan 0.000 0.522 18 S N 2.034 117.717 115.700 -0.029 0.000 2.380 18 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 18 S C 1.577 176.180 174.600 0.004 0.000 1.043 18 S CA 1.638 59.835 58.200 -0.005 0.000 1.038 18 S CB -0.172 63.027 63.200 -0.002 0.000 0.872 18 S HN 0.580 nan 8.310 nan 0.000 0.456 19 G N 1.456 110.252 108.800 -0.007 0.000 3.455 19 G HA2 0.426 4.385 3.960 -0.000 0.000 0.250 19 G HA3 0.426 4.385 3.960 -0.000 0.000 0.250 19 G C 0.244 175.143 174.900 -0.003 0.000 1.071 19 G CA 0.007 45.105 45.100 -0.004 0.000 1.812 19 G HN 0.694 nan 8.290 nan 0.000 0.643 20 M N -1.553 118.047 119.600 0.001 0.000 5.540 20 M HA 0.350 4.830 4.480 -0.000 0.000 0.662 20 M C -1.198 175.105 176.300 0.005 0.000 2.370 20 M CA -0.350 54.951 55.300 0.002 0.000 0.329 20 M CB -0.448 32.152 32.600 0.000 0.000 1.452 20 M HN -0.117 nan 8.290 nan 0.000 0.702 21 I N 3.129 123.704 120.570 0.009 0.000 2.474 21 I HA 0.441 4.611 4.170 -0.000 0.000 0.287 21 I C -1.916 174.209 176.117 0.012 0.000 1.048 21 I CA -1.684 59.624 61.300 0.013 0.000 1.383 21 I CB 0.851 38.864 38.000 0.023 0.000 1.412 21 I HN 0.123 nan 8.210 nan 0.000 0.531 22 P HA 0.121 nan 4.420 nan 0.000 0.271 22 P C -0.648 176.659 177.300 0.012 0.000 1.218 22 P CA -0.423 62.682 63.100 0.009 0.000 0.780 22 P CB 0.418 32.123 31.700 0.008 0.000 0.901 23 E N 0.934 121.140 120.200 0.009 0.000 2.437 23 E HA 0.181 4.530 4.350 -0.000 0.000 0.263 23 E C 1.131 177.738 176.600 0.012 0.000 1.030 23 E CA 0.909 57.314 56.400 0.009 0.000 0.934 23 E CB -0.128 29.575 29.700 0.005 0.000 0.943 23 E HN 0.809 nan 8.360 nan 0.000 0.444 24 G N 2.349 111.158 108.800 0.015 0.000 2.162 24 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.260 24 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.260 24 G C 0.005 174.919 174.900 0.024 0.000 0.976 24 G CA 0.531 45.642 45.100 0.017 0.000 0.655 24 G HN 0.410 nan 8.290 nan 0.000 0.533 25 K N 0.516 120.932 120.400 0.028 0.000 2.422 25 K HA 0.620 4.940 4.320 -0.000 0.000 0.251 25 K C 0.296 176.925 176.600 0.047 0.000 0.933 25 K CA -0.189 56.120 56.287 0.036 0.000 0.798 25 K CB 1.886 34.403 32.500 0.029 0.000 1.238 25 K HN 0.239 nan 8.250 nan 0.000 0.428 26 T N -0.899 113.695 114.554 0.067 0.000 2.923 26 T HA 0.229 4.579 4.350 -0.000 0.000 0.281 26 T C 0.915 175.668 174.700 0.088 0.000 0.995 26 T CA -0.874 61.279 62.100 0.089 0.000 0.985 26 T CB 0.918 69.860 68.868 0.123 0.000 1.114 26 T HN 0.386 nan 8.240 nan 0.000 0.548 27 L N -0.250 121.033 121.223 0.100 0.000 2.109 27 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 27 L C 2.229 179.147 176.870 0.079 0.000 1.086 27 L CA 1.482 56.366 54.840 0.073 0.000 0.760 27 L CB -1.176 40.925 42.059 0.070 0.000 0.910 27 L HN 0.809 nan 8.230 nan 0.000 0.437 28 Y N -0.036 120.272 120.300 0.014 0.000 2.145 28 Y HA -0.142 4.407 4.550 -0.000 0.000 0.286 28 Y C 2.330 178.232 175.900 0.004 0.000 1.145 28 Y CA 1.921 60.026 58.100 0.008 0.000 1.148 28 Y CB -0.716 37.754 38.460 0.017 0.000 0.981 28 Y HN 0.224 nan 8.280 nan 0.000 0.507 29 G N -0.254 108.667 108.800 0.200 0.000 2.491 29 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.218 29 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.218 29 G C 1.444 176.355 174.900 0.018 0.000 1.180 29 G CA 1.163 46.331 45.100 0.114 0.000 0.774 29 G HN 0.331 nan 8.290 nan 0.000 0.562 30 Q N 0.186 119.989 119.800 0.006 0.000 1.967 30 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 30 Q C 3.009 178.967 176.000 -0.070 0.000 0.985 30 Q CA 1.259 57.048 55.803 -0.022 0.000 0.839 30 Q CB -1.270 27.462 28.738 -0.011 0.000 0.906 30 Q HN 0.357 nan 8.270 nan 0.000 0.423 31 V N 1.601 121.455 119.914 -0.100 0.000 2.688 31 V HA -0.251 3.869 4.120 -0.000 0.000 0.256 31 V C 2.290 178.238 176.094 -0.243 0.000 1.084 31 V CA 1.990 64.198 62.300 -0.154 0.000 1.103 31 V CB -0.606 31.122 31.823 -0.159 0.000 0.688 31 V HN 0.437 nan 8.190 nan 0.000 0.480 32 E N 0.567 120.601 120.200 -0.275 0.000 2.016 32 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 32 E C 2.321 178.810 176.600 -0.185 0.000 0.985 32 E CA 1.205 57.428 56.400 -0.296 0.000 0.802 32 E CB -0.330 29.236 29.700 -0.223 0.000 0.762 32 E HN 0.484 nan 8.360 nan 0.000 0.448 33 A N 0.935 123.697 122.820 -0.096 0.000 1.903 33 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 33 A C 2.475 180.018 177.584 -0.069 0.000 1.191 33 A CA 2.188 54.194 52.037 -0.053 0.000 0.638 33 A CB -1.662 17.323 19.000 -0.025 0.000 0.823 33 A HN 0.501 nan 8.150 nan 0.000 0.451 34 G N -0.929 107.819 108.800 -0.086 0.000 2.470 34 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.220 34 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.220 34 G C 1.497 176.334 174.900 -0.106 0.000 1.121 34 G CA 1.003 46.056 45.100 -0.078 0.000 0.766 34 G HN 0.456 nan 8.290 nan 0.000 0.553 35 L N -0.672 120.437 121.223 -0.190 0.000 2.162 35 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 35 L C 3.023 179.817 176.870 -0.127 0.000 1.086 35 L CA 0.662 55.343 54.840 -0.266 0.000 0.778 35 L CB -0.223 41.442 42.059 -0.658 0.000 0.928 35 L HN 0.223 nan 8.230 nan 0.000 0.446 36 Q N -0.166 119.590 119.800 -0.072 0.000 2.297 36 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 36 Q C 0.860 176.881 176.000 0.035 0.000 0.962 36 Q CA 0.835 56.676 55.803 0.064 0.000 0.879 36 Q CB 0.133 28.916 28.738 0.075 0.000 0.947 36 Q HN 0.543 nan 8.270 nan 0.000 0.462 37 N N -1.769 116.932 118.700 0.000 0.000 2.197 37 N HA 0.147 4.887 4.740 -0.000 0.000 0.228 37 N C 0.475 175.984 175.510 -0.002 0.000 1.212 37 N CA 0.715 53.767 53.050 0.003 0.000 0.883 37 N CB 2.010 40.496 38.487 -0.001 0.000 1.107 37 N HN 0.258 nan 8.380 nan 0.000 0.519 38 G N 0.306 109.100 108.800 -0.009 0.000 4.373 38 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.195 38 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.195 38 G C -0.165 174.722 174.900 -0.023 0.000 1.377 38 G CA -0.399 44.695 45.100 -0.010 0.000 0.858 38 G HN 0.047 nan 8.290 nan 0.000 0.307 39 V N 2.963 122.857 119.914 -0.034 0.000 2.780 39 V HA 0.256 4.376 4.120 -0.000 0.000 0.301 39 V C 1.718 177.774 176.094 -0.063 0.000 1.168 39 V CA 2.032 64.308 62.300 -0.040 0.000 1.305 39 V CB 0.922 32.714 31.823 -0.053 0.000 0.858 39 V HN 1.071 nan 8.190 nan 0.000 0.502 40 T N 1.724 116.232 114.554 -0.076 0.000 3.111 40 T HA 0.525 4.875 4.350 -0.000 0.000 0.284 40 T C -0.404 174.154 174.700 -0.238 0.000 0.983 40 T CA -0.197 61.821 62.100 -0.137 0.000 0.900 40 T CB 0.211 69.006 68.868 -0.122 0.000 1.132 40 T HN 0.366 nan 8.240 nan 0.000 0.531 41 L N 0.941 122.050 121.223 -0.190 0.000 2.666 41 L HA 0.676 5.016 4.340 -0.000 0.000 0.259 41 L C -1.960 174.884 176.870 -0.044 0.000 0.919 41 L CA -0.627 54.047 54.840 -0.276 0.000 0.927 41 L CB 2.268 43.979 42.059 -0.580 0.000 1.423 41 L HN 0.025 nan 8.230 nan 0.000 0.426 42 V N 4.083 123.994 119.914 -0.005 0.000 2.588 42 V HA 0.590 4.710 4.120 -0.000 0.000 0.304 42 V C -0.614 175.617 176.094 0.227 0.000 1.042 42 V CA -0.490 61.884 62.300 0.124 0.000 0.877 42 V CB 1.780 33.617 31.823 0.024 0.000 0.996 42 V HN 0.825 nan 8.190 nan 0.000 0.425 43 Q N 4.508 124.494 119.800 0.310 0.000 2.316 43 Q HA 0.679 5.019 4.340 -0.000 0.000 0.264 43 Q C -1.540 174.540 176.000 0.133 0.000 0.987 43 Q CA -0.623 55.339 55.803 0.265 0.000 0.852 43 Q CB 1.977 30.890 28.738 0.292 0.000 1.287 43 Q HN 0.740 nan 8.270 nan 0.000 0.448 44 I N 3.572 124.232 120.570 0.150 0.000 2.359 44 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 44 I C -0.155 176.033 176.117 0.118 0.000 0.987 44 I CA -0.650 60.722 61.300 0.119 0.000 1.225 44 I CB 1.563 39.674 38.000 0.184 0.000 1.366 44 I HN 0.567 nan 8.210 nan 0.000 0.466 45 R N 4.804 125.302 120.500 -0.002 0.000 2.589 45 R HA 0.645 4.984 4.340 -0.000 0.000 0.293 45 R C -0.794 175.339 176.300 -0.278 0.000 0.963 45 R CA -0.709 55.360 56.100 -0.051 0.000 0.905 45 R CB 1.962 32.234 30.300 -0.046 0.000 1.144 45 R HN 0.466 nan 8.270 nan 0.000 0.459 50 D N 1.727 122.246 120.400 0.198 0.000 2.325 50 D HA 0.365 5.005 4.640 -0.000 0.000 0.251 50 D C 1.381 177.844 176.300 0.272 0.000 1.196 50 D CA 0.897 55.015 54.000 0.198 0.000 0.866 50 D CB 1.433 42.334 40.800 0.167 0.000 1.101 50 D HN 0.685 nan 8.370 nan 0.000 0.476 51 T N 0.388 115.081 114.554 0.231 0.000 3.118 51 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 51 T C 1.221 176.032 174.700 0.185 0.000 1.166 51 T CA 1.166 63.421 62.100 0.258 0.000 1.073 51 T CB 0.070 69.039 68.868 0.169 0.000 0.884 51 T HN 0.374 nan 8.240 nan 0.000 0.550 52 K N -1.073 119.440 120.400 0.189 0.000 2.329 52 K HA 0.142 4.462 4.320 -0.000 0.000 0.198 52 K C 1.785 178.495 176.600 0.184 0.000 1.085 52 K CA 0.069 56.440 56.287 0.140 0.000 0.961 52 K CB -0.220 32.349 32.500 0.114 0.000 0.971 52 K HN 0.320 nan 8.250 nan 0.000 0.502 53 F N 1.588 121.608 119.950 0.116 0.000 2.171 53 F HA -0.138 4.389 4.527 0.000 0.000 0.300 53 F C 1.794 177.706 175.800 0.187 0.000 1.090 53 F CA 0.942 59.009 58.000 0.112 0.000 1.293 53 F CB -0.398 38.649 39.000 0.078 0.000 1.013 53 F HN 0.044 nan 8.300 nan 0.000 0.486 54 F N 1.786 121.655 119.950 -0.135 0.000 2.045 54 F HA -0.306 4.221 4.527 -0.000 0.000 0.297 54 F C 2.178 177.851 175.800 -0.212 0.000 1.114 54 F CA 1.895 59.779 58.000 -0.193 0.000 1.207 54 F CB -1.166 37.824 39.000 -0.017 0.000 0.964 54 F HN 0.060 nan 8.300 nan 0.000 0.486 55 I N -0.243 120.353 120.570 0.042 0.000 2.567 55 I HA -0.257 3.913 4.170 -0.000 0.000 0.257 55 I C 2.047 178.127 176.117 -0.062 0.000 1.184 55 I CA 1.406 62.653 61.300 -0.089 0.000 1.451 55 I CB -0.580 37.368 38.000 -0.087 0.000 1.089 55 I HN 0.279 nan 8.210 nan 0.000 0.441 56 E N 0.491 120.641 120.200 -0.082 0.000 2.170 56 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 56 E C 2.015 178.544 176.600 -0.118 0.000 0.981 56 E CA 0.506 56.859 56.400 -0.080 0.000 0.830 56 E CB 0.086 29.764 29.700 -0.037 0.000 0.775 56 E HN 0.410 nan 8.360 nan 0.000 0.470 57 E N 0.548 120.601 120.200 -0.245 0.000 2.107 57 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 57 E C 1.986 178.570 176.600 -0.027 0.000 0.982 57 E CA 0.760 57.047 56.400 -0.187 0.000 0.809 57 E CB 0.038 29.514 29.700 -0.373 0.000 0.756 57 E HN 0.204 nan 8.360 nan 0.000 0.459 58 A N 0.913 123.745 122.820 0.020 0.000 1.898 58 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 58 A C 2.134 179.716 177.584 -0.002 0.000 1.181 58 A CA 0.875 52.940 52.037 0.047 0.000 0.620 58 A CB -0.550 18.464 19.000 0.023 0.000 0.819 58 A HN 0.256 nan 8.150 nan 0.000 0.442 59 L N -0.909 120.301 121.223 -0.021 0.000 2.093 59 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 59 L C 2.891 179.764 176.870 0.005 0.000 1.085 59 L CA 1.675 56.502 54.840 -0.021 0.000 0.755 59 L CB -0.419 41.627 42.059 -0.020 0.000 0.904 59 L HN 0.595 nan 8.230 nan 0.000 0.435 60 Q N 0.323 120.140 119.800 0.027 0.000 2.167 60 Q HA -0.171 4.168 4.340 -0.000 0.000 0.202 60 Q C 2.192 178.299 176.000 0.178 0.000 0.970 60 Q CA 1.307 57.160 55.803 0.084 0.000 0.855 60 Q CB 0.165 28.942 28.738 0.065 0.000 0.911 60 Q HN 0.550 nan 8.270 nan 0.000 0.438 61 I N 0.092 120.729 120.570 0.112 0.000 2.852 61 I HA -0.131 4.039 4.170 -0.000 0.000 0.264 61 I C 2.321 178.432 176.117 -0.010 0.000 1.179 61 I CA 0.409 61.748 61.300 0.064 0.000 1.480 61 I CB -0.068 37.949 38.000 0.029 0.000 1.111 61 I HN 0.138 nan 8.210 nan 0.000 0.441 62 K N 1.238 121.610 120.400 -0.047 0.000 2.211 62 K HA -0.173 4.147 4.320 -0.000 0.000 0.203 62 K C 1.778 178.259 176.600 -0.198 0.000 1.050 62 K CA 1.230 57.404 56.287 -0.187 0.000 0.945 62 K CB 0.154 32.511 32.500 -0.237 0.000 0.732 62 K HN 0.316 nan 8.250 nan 0.000 0.451 63 E N 0.744 120.923 120.200 -0.036 0.000 2.072 63 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 63 E C 2.044 178.715 176.600 0.119 0.000 0.985 63 E CA 0.695 57.128 56.400 0.055 0.000 0.801 63 E CB 0.006 29.762 29.700 0.093 0.000 0.750 63 E HN 0.284 nan 8.360 nan 0.000 0.452 64 L N 0.566 121.861 121.223 0.119 0.000 1.994 64 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 64 L C 2.431 179.366 176.870 0.107 0.000 1.071 64 L CA 1.363 56.249 54.840 0.078 0.000 0.745 64 L CB -0.274 41.652 42.059 -0.222 0.000 0.892 64 L HN 0.357 nan 8.230 nan 0.000 0.431 65 C N -0.661 118.660 119.300 0.034 0.000 2.418 65 C HA -0.206 4.254 4.460 -0.000 0.000 0.280 65 C C 2.583 177.723 174.990 0.251 0.000 1.223 65 C CA 0.704 59.769 59.018 0.078 0.000 1.736 65 C CB -1.404 26.354 27.740 0.029 0.000 2.056 65 C HN 0.588 nan 8.230 nan 0.000 0.459 66 H N 0.874 120.016 119.070 0.119 0.000 2.431 66 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 66 H C 2.269 177.656 175.328 0.099 0.000 1.115 66 H CA 1.826 57.949 56.048 0.126 0.000 1.277 66 H CB -0.751 29.058 29.762 0.079 0.000 1.372 66 H HN 0.535 nan 8.280 nan 0.000 0.516 67 A N -0.067 122.897 122.820 0.241 0.000 2.015 67 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 67 A C 1.290 178.894 177.584 0.034 0.000 1.163 67 A CA 1.377 53.490 52.037 0.127 0.000 0.646 67 A CB -0.340 18.741 19.000 0.134 0.000 0.806 67 A HN 0.466 nan 8.150 nan 0.000 0.448 68 H N -1.607 117.494 119.070 0.052 0.000 2.517 68 H HA 0.193 4.749 4.556 -0.000 0.000 0.282 68 H C 0.638 175.991 175.328 0.042 0.000 1.023 68 H CA 0.259 56.324 56.048 0.027 0.000 1.169 68 H CB -0.060 29.702 29.762 -0.000 0.000 1.454 68 H HN 0.547 nan 8.280 nan 0.000 0.556 69 N N 0.046 118.851 118.700 0.176 0.000 2.714 69 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 69 N C -0.775 174.895 175.510 0.267 0.000 1.117 69 N CA 0.784 53.957 53.050 0.206 0.000 0.719 69 N CB -1.088 37.462 38.487 0.105 0.000 1.081 69 N HN 0.282 nan 8.380 nan 0.000 0.557 70 V N -0.543 119.468 119.914 0.161 0.000 2.459 70 V HA 0.787 4.907 4.120 -0.000 0.000 0.295 70 V C -2.237 173.747 176.094 -0.183 0.000 1.029 70 V CA -1.833 60.383 62.300 -0.139 0.000 0.874 70 V CB 1.697 33.446 31.823 -0.123 0.000 0.985 70 V HN 0.005 nan 8.190 nan 0.000 0.438 71 P HA 0.293 nan 4.420 nan 0.000 0.271 71 P C -1.207 176.023 177.300 -0.116 0.000 1.233 71 P CA -0.219 62.570 63.100 -0.518 0.000 0.789 71 P CB 0.562 31.568 31.700 -1.156 0.000 0.951 72 L N 2.203 123.465 121.223 0.066 0.000 2.341 72 L HA 0.548 4.887 4.340 -0.000 0.000 0.278 72 L C -1.055 175.907 176.870 0.153 0.000 1.005 72 L CA -0.308 54.578 54.840 0.078 0.000 0.818 72 L CB 0.795 42.876 42.059 0.037 0.000 1.259 72 L HN 0.235 nan 8.230 nan 0.000 0.418 73 I N 5.145 125.827 120.570 0.188 0.000 2.693 73 I HA 0.486 4.656 4.170 -0.000 0.000 0.303 73 I C -0.837 175.429 176.117 0.248 0.000 1.025 73 I CA -0.741 60.715 61.300 0.260 0.000 1.086 73 I CB 2.260 40.480 38.000 0.368 0.000 1.268 73 I HN 0.510 nan 8.210 nan 0.000 0.440 74 I N 4.000 124.716 120.570 0.244 0.000 2.498 74 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 74 I C -0.590 175.678 176.117 0.252 0.000 1.032 74 I CA -0.299 61.141 61.300 0.233 0.000 1.073 74 I CB 2.045 40.136 38.000 0.153 0.000 1.251 74 I HN 0.550 nan 8.210 nan 0.000 0.426 75 N N 4.063 122.924 118.700 0.269 0.000 2.354 75 N HA 0.311 5.051 4.740 -0.000 0.000 0.287 75 N C -1.013 174.645 175.510 0.247 0.000 1.016 75 N CA -0.537 52.659 53.050 0.243 0.000 0.871 75 N CB 1.385 39.984 38.487 0.187 0.000 1.299 75 N HN 0.671 nan 8.380 nan 0.000 0.482 76 D N 1.559 122.086 120.400 0.213 0.000 2.479 76 D HA 0.112 4.752 4.640 -0.000 0.000 0.218 76 D C -0.233 176.152 176.300 0.141 0.000 1.177 76 D CA -0.315 53.793 54.000 0.180 0.000 0.830 76 D CB 0.247 41.142 40.800 0.159 0.000 1.014 76 D HN 0.258 nan 8.370 nan 0.000 0.503 77 R N 0.982 121.572 120.500 0.150 0.000 2.498 77 R HA 0.122 4.461 4.340 -0.000 0.000 0.334 77 R C 0.416 176.733 176.300 0.028 0.000 1.106 77 R CA -0.203 55.944 56.100 0.078 0.000 0.995 77 R CB 0.210 30.537 30.300 0.044 0.000 0.989 77 R HN 0.166 nan 8.270 nan 0.000 0.455 78 I N 2.393 122.983 120.570 0.034 0.000 2.208 78 I HA -0.348 3.822 4.170 -0.000 0.000 0.245 78 I C 1.986 178.099 176.117 -0.007 0.000 1.097 78 I CA 1.626 62.937 61.300 0.019 0.000 1.363 78 I CB -0.381 37.629 38.000 0.017 0.000 1.051 78 I HN 0.588 nan 8.210 nan 0.000 0.413 79 D N 0.751 121.141 120.400 -0.016 0.000 2.084 79 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 79 D C 2.091 178.348 176.300 -0.071 0.000 0.990 79 D CA 1.518 55.498 54.000 -0.033 0.000 0.826 79 D CB -1.226 39.560 40.800 -0.024 0.000 0.971 79 D HN 0.218 nan 8.370 nan 0.000 0.453 80 V N 1.028 120.863 119.914 -0.131 0.000 2.453 80 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 80 V C 2.705 178.697 176.094 -0.170 0.000 1.068 80 V CA 1.927 64.084 62.300 -0.240 0.000 1.070 80 V CB -1.107 30.390 31.823 -0.543 0.000 0.664 80 V HN 0.457 nan 8.190 nan 0.000 0.461 81 A N -0.593 122.170 122.820 -0.096 0.000 1.840 81 A HA -0.163 4.156 4.320 -0.000 0.000 0.214 81 A C 2.241 179.818 177.584 -0.011 0.000 1.198 81 A CA 1.938 53.955 52.037 -0.032 0.000 0.608 81 A CB -0.467 18.544 19.000 0.018 0.000 0.839 81 A HN 0.440 nan 8.150 nan 0.000 0.443 82 M N -0.267 119.328 119.600 -0.008 0.000 2.106 82 M HA -0.212 4.268 4.480 -0.000 0.000 0.259 82 M C 2.496 178.791 176.300 -0.008 0.000 1.068 82 M CA 1.552 56.853 55.300 0.001 0.000 1.100 82 M CB -0.444 32.154 32.600 -0.002 0.000 1.351 82 M HN 0.514 nan 8.290 nan 0.000 0.404 83 A N 0.934 123.736 122.820 -0.030 0.000 1.865 83 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 83 A C 1.881 179.446 177.584 -0.030 0.000 1.191 83 A CA 1.924 53.940 52.037 -0.035 0.000 0.623 83 A CB -1.038 17.927 19.000 -0.058 0.000 0.826 83 A HN 0.708 nan 8.150 nan 0.000 0.444 84 I N -3.564 116.980 120.570 -0.044 0.000 3.810 84 I HA 0.485 4.655 4.170 -0.000 0.000 0.322 84 I C 0.975 177.090 176.117 -0.004 0.000 1.288 84 I CA 0.373 61.653 61.300 -0.035 0.000 1.143 84 I CB -0.581 37.381 38.000 -0.062 0.000 1.012 84 I HN 0.386 nan 8.210 nan 0.000 0.423 85 G N 1.868 110.678 108.800 0.016 0.000 2.350 85 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.298 85 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.298 85 G C 0.322 175.274 174.900 0.086 0.000 1.037 85 G CA 0.158 45.291 45.100 0.054 0.000 1.074 85 G HN 0.978 nan 8.290 nan 0.000 0.511 86 A N -0.476 122.389 122.820 0.074 0.000 2.332 86 A HA 0.615 4.935 4.320 -0.000 0.000 0.258 86 A C 1.196 178.888 177.584 0.180 0.000 1.087 86 A CA 0.348 52.449 52.037 0.108 0.000 0.802 86 A CB 0.490 19.539 19.000 0.081 0.000 1.042 86 A HN 0.288 nan 8.150 nan 0.000 0.489 87 D N 0.150 120.699 120.400 0.249 0.000 2.333 87 D HA 0.240 4.880 4.640 -0.000 0.000 0.208 87 D C 0.769 177.281 176.300 0.353 0.000 0.984 87 D CA 1.553 55.764 54.000 0.351 0.000 0.873 87 D CB 0.462 41.517 40.800 0.425 0.000 0.935 87 D HN 0.733 nan 8.370 nan 0.000 0.521 88 G N 0.644 109.607 108.800 0.271 0.000 2.523 88 G HA2 0.514 4.474 3.960 -0.000 0.000 0.291 88 G HA3 0.514 4.474 3.960 -0.000 0.000 0.291 88 G C -1.612 173.419 174.900 0.218 0.000 1.450 88 G CA -0.819 44.420 45.100 0.231 0.000 0.790 88 G HN 0.086 nan 8.290 nan 0.000 0.496 89 I N -1.617 119.069 120.570 0.194 0.000 2.619 89 I HA 0.629 4.799 4.170 -0.000 0.000 0.292 89 I C -1.423 174.822 176.117 0.213 0.000 1.100 89 I CA -1.002 60.414 61.300 0.194 0.000 1.043 89 I CB 2.671 40.740 38.000 0.116 0.000 1.239 89 I HN 0.572 nan 8.210 nan 0.000 0.420 90 H N 6.194 125.373 119.070 0.183 0.000 2.476 90 H HA 0.660 5.216 4.556 -0.000 0.000 0.328 90 H C -1.228 174.178 175.328 0.130 0.000 1.073 90 H CA -0.322 55.821 56.048 0.158 0.000 1.229 90 H CB 2.079 31.985 29.762 0.239 0.000 1.432 90 H HN 0.714 nan 8.280 nan 0.000 0.477 91 V N 2.682 122.604 119.914 0.013 0.000 2.960 91 V HA 0.865 4.985 4.120 -0.000 0.000 0.315 91 V C 0.205 176.395 176.094 0.159 0.000 1.087 91 V CA -0.383 62.005 62.300 0.148 0.000 0.982 91 V CB 1.625 33.530 31.823 0.136 0.000 1.039 91 V HN 0.763 nan 8.190 nan 0.000 0.437 92 G N 0.587 109.487 108.800 0.166 0.000 2.568 92 G HA2 0.438 4.398 3.960 -0.000 0.000 0.293 92 G HA3 0.438 4.398 3.960 -0.000 0.000 0.293 92 G C 0.045 174.970 174.900 0.042 0.000 1.347 92 G CA -0.122 45.016 45.100 0.063 0.000 1.039 92 G HN 0.821 nan 8.290 nan 0.000 0.523 93 Q N -1.043 118.697 119.800 -0.101 0.000 2.172 93 Q HA -0.012 4.327 4.340 -0.000 0.000 0.200 93 Q C 1.269 177.310 176.000 0.068 0.000 0.964 93 Q CA 1.468 57.218 55.803 -0.088 0.000 0.855 93 Q CB 0.153 28.779 28.738 -0.187 0.000 0.918 93 Q HN 0.513 nan 8.270 nan 0.000 0.444 94 D N 0.106 120.537 120.400 0.053 0.000 2.349 94 D HA 0.055 4.695 4.640 -0.000 0.000 0.214 94 D C -0.419 175.930 176.300 0.080 0.000 1.063 94 D CA 0.129 54.166 54.000 0.060 0.000 0.847 94 D CB 0.239 41.062 40.800 0.038 0.000 0.933 94 D HN 0.223 nan 8.370 nan 0.000 0.513 95 D N -0.048 120.419 120.400 0.111 0.000 2.529 95 D HA 0.111 4.751 4.640 -0.000 0.000 0.273 95 D C 0.645 177.012 176.300 0.113 0.000 1.197 95 D CA -0.598 53.468 54.000 0.110 0.000 1.070 95 D CB 0.843 41.717 40.800 0.123 0.000 1.134 95 D HN -0.069 nan 8.370 nan 0.000 0.590 96 M N 1.230 120.879 119.600 0.083 0.000 2.290 96 M HA 0.054 4.534 4.480 -0.000 0.000 0.356 96 M C -2.232 174.091 176.300 0.038 0.000 1.448 96 M CA -0.535 54.796 55.300 0.051 0.000 0.993 96 M CB 0.414 33.033 32.600 0.030 0.000 1.934 96 M HN -0.079 nan 8.290 nan 0.000 0.461 97 P HA -0.103 nan 4.420 nan 0.000 0.264 97 P C 0.539 177.776 177.300 -0.105 0.000 1.179 97 P CA -0.012 63.076 63.100 -0.021 0.000 0.763 97 P CB 0.344 32.033 31.700 -0.017 0.000 0.806 98 I N 5.199 125.629 120.570 -0.233 0.000 2.233 98 I HA -0.098 4.071 4.170 -0.000 0.000 0.243 98 I C -0.597 175.394 176.117 -0.210 0.000 1.093 98 I CA 1.678 62.791 61.300 -0.312 0.000 1.380 98 I CB -2.693 34.957 38.000 -0.583 0.000 1.067 98 I HN 0.368 nan 8.210 nan 0.000 0.413 99 P HA -0.225 nan 4.420 nan 0.000 0.217 99 P C 2.060 179.303 177.300 -0.096 0.000 1.158 99 P CA 1.932 64.954 63.100 -0.130 0.000 0.887 99 P CB -0.156 31.481 31.700 -0.106 0.000 0.792 100 M N -1.373 118.180 119.600 -0.079 0.000 2.080 100 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 100 M C 2.450 178.718 176.300 -0.053 0.000 1.068 100 M CA 1.811 57.079 55.300 -0.054 0.000 1.109 100 M CB -0.808 31.770 32.600 -0.037 0.000 1.342 100 M HN -0.138 nan 8.290 nan 0.000 0.405 101 I N -0.544 119.986 120.570 -0.067 0.000 2.163 101 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 101 I C 2.669 178.751 176.117 -0.058 0.000 1.085 101 I CA 1.174 62.440 61.300 -0.057 0.000 1.347 101 I CB -0.495 37.462 38.000 -0.073 0.000 1.044 101 I HN 0.252 nan 8.210 nan 0.000 0.408 102 R N 1.675 122.126 120.500 -0.082 0.000 2.083 102 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 102 R C 2.153 178.419 176.300 -0.056 0.000 1.137 102 R CA 1.690 57.745 56.100 -0.075 0.000 0.951 102 R CB -0.588 29.651 30.300 -0.102 0.000 0.851 102 R HN 0.199 nan 8.270 nan 0.000 0.434 103 K N -0.086 120.281 120.400 -0.055 0.000 2.113 103 K HA -0.159 4.160 4.320 -0.000 0.000 0.208 103 K C 1.914 178.496 176.600 -0.030 0.000 1.047 103 K CA 1.858 58.120 56.287 -0.042 0.000 0.928 103 K CB -0.159 32.317 32.500 -0.040 0.000 0.716 103 K HN 0.242 nan 8.250 nan 0.000 0.446 104 L N 0.114 121.321 121.223 -0.027 0.000 2.068 104 L HA -0.096 4.243 4.340 -0.000 0.000 0.204 104 L C 2.271 179.134 176.870 -0.012 0.000 1.076 104 L CA 0.677 55.507 54.840 -0.017 0.000 0.753 104 L CB -0.399 41.652 42.059 -0.013 0.000 0.910 104 L HN 0.048 nan 8.230 nan 0.000 0.439 105 V N -2.431 117.475 119.914 -0.012 0.000 3.306 105 V HA 0.362 4.481 4.120 -0.000 0.000 0.264 105 V C 1.178 177.271 176.094 -0.002 0.000 1.149 105 V CA 0.057 62.356 62.300 -0.002 0.000 1.143 105 V CB -1.502 30.324 31.823 0.005 0.000 0.767 105 V HN 0.478 nan 8.190 nan 0.000 0.476 106 G N 1.047 109.839 108.800 -0.014 0.000 2.953 106 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.421 106 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.421 106 G C -2.085 172.806 174.900 -0.014 0.000 1.531 106 G CA -0.222 44.868 45.100 -0.016 0.000 0.971 106 G HN 0.527 nan 8.290 nan 0.000 0.558 107 P HA 0.316 nan 4.420 nan 0.000 0.285 107 P C 0.552 177.859 177.300 0.011 0.000 1.282 107 P CA 0.769 63.860 63.100 -0.015 0.000 0.778 107 P CB 0.199 31.886 31.700 -0.021 0.000 1.222 108 D N -4.650 115.765 120.400 0.025 0.000 2.202 108 D HA -0.151 4.488 4.640 -0.000 0.000 0.165 108 D C 0.177 176.530 176.300 0.090 0.000 1.170 108 D CA 1.342 55.377 54.000 0.059 0.000 1.110 108 D CB -1.360 39.471 40.800 0.053 0.000 1.160 108 D HN 0.332 nan 8.370 nan 0.000 0.496 109 M N 1.305 120.944 119.600 0.065 0.000 2.404 109 M HA 0.433 4.913 4.480 -0.000 0.000 0.338 109 M C -0.599 175.723 176.300 0.036 0.000 1.150 109 M CA -0.776 54.575 55.300 0.085 0.000 1.016 109 M CB 1.902 34.548 32.600 0.078 0.000 1.672 109 M HN -0.207 nan 8.290 nan 0.000 0.448 110 V N 5.912 125.837 119.914 0.018 0.000 2.555 110 V HA 0.221 4.341 4.120 -0.000 0.000 0.286 110 V C 0.022 176.127 176.094 0.018 0.000 1.044 110 V CA 0.068 62.330 62.300 -0.063 0.000 1.026 110 V CB 0.860 32.489 31.823 -0.323 0.000 0.981 110 V HN 0.678 nan 8.190 nan 0.000 0.480 111 I N 4.524 125.076 120.570 -0.029 0.000 2.355 111 I HA 0.472 4.641 4.170 -0.000 0.000 0.288 111 I C 0.764 176.706 176.117 -0.291 0.000 0.999 111 I CA -0.174 61.067 61.300 -0.099 0.000 1.163 111 I CB 1.543 39.464 38.000 -0.132 0.000 1.316 111 I HN 0.701 nan 8.210 nan 0.000 0.454 112 G N 5.348 113.874 108.800 -0.457 0.000 2.348 112 G HA2 0.400 4.360 3.960 -0.000 0.000 0.312 112 G HA3 0.400 4.360 3.960 -0.000 0.000 0.312 112 G C -1.932 172.479 174.900 -0.815 0.000 1.126 112 G CA -0.197 44.194 45.100 -1.181 0.000 0.865 112 G HN 0.515 nan 8.290 nan 0.000 0.474 113 W N 1.461 122.234 121.300 -0.878 0.000 2.819 113 W HA 0.585 5.245 4.660 -0.000 0.000 0.337 113 W C -0.288 176.012 176.519 -0.366 0.000 1.077 113 W CA -1.278 55.743 57.345 -0.540 0.000 1.226 113 W CB 2.182 31.465 29.460 -0.295 0.000 1.419 113 W HN 0.379 nan 8.180 nan 0.000 0.502 114 S N 3.368 118.855 115.700 -0.355 0.000 2.473 114 S HA 0.407 4.877 4.470 -0.000 0.000 0.312 114 S C -0.420 173.919 174.600 -0.435 0.000 1.087 114 S CA -0.476 57.598 58.200 -0.209 0.000 1.077 114 S CB 0.095 63.276 63.200 -0.032 0.000 1.065 114 S HN 0.208 nan 8.310 nan 0.000 0.510 115 V N 2.690 122.411 119.914 -0.322 0.000 2.532 115 V HA 0.675 4.794 4.120 -0.000 0.000 0.295 115 V C 1.110 177.054 176.094 -0.249 0.000 1.041 115 V CA -0.296 61.806 62.300 -0.330 0.000 0.926 115 V CB 1.772 33.457 31.823 -0.231 0.000 0.992 115 V HN 0.910 nan 8.190 nan 0.000 0.457 116 G N 2.740 111.381 108.800 -0.264 0.000 2.989 116 G HA2 0.309 4.269 3.960 -0.000 0.000 0.221 116 G HA3 0.309 4.269 3.960 -0.000 0.000 0.221 116 G C -0.244 174.179 174.900 -0.795 0.000 1.050 116 G CA 0.129 44.924 45.100 -0.508 0.000 0.913 116 G HN 0.444 nan 8.290 nan 0.000 0.587 117 F N -0.720 119.152 119.950 -0.130 0.000 2.588 117 F HA 0.463 4.989 4.527 -0.000 0.000 0.314 117 F C -1.877 173.874 175.800 -0.082 0.000 1.069 117 F CA -2.300 55.644 58.000 -0.094 0.000 0.931 117 F CB 2.161 41.111 39.000 -0.083 0.000 1.260 117 F HN -0.243 nan 8.300 nan 0.000 0.465 118 P HA -0.155 nan 4.420 nan 0.000 0.215 118 P C 1.011 178.352 177.300 0.067 0.000 1.153 118 P CA 1.607 64.742 63.100 0.059 0.000 0.853 118 P CB 0.268 31.998 31.700 0.049 0.000 0.788 119 E N 0.050 120.299 120.200 0.082 0.000 2.147 119 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 119 E C 1.801 178.444 176.600 0.072 0.000 1.005 119 E CA 1.427 57.859 56.400 0.053 0.000 0.810 119 E CB -0.883 28.824 29.700 0.011 0.000 0.736 119 E HN 0.484 nan 8.360 nan 0.000 0.460 120 E N -0.306 119.937 120.200 0.072 0.000 2.274 120 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 120 E C 1.784 178.481 176.600 0.162 0.000 0.996 120 E CA 0.692 57.134 56.400 0.070 0.000 0.840 120 E CB 0.196 29.817 29.700 -0.131 0.000 0.772 120 E HN 0.100 nan 8.360 nan 0.000 0.491 121 V N 1.593 121.566 119.914 0.098 0.000 2.591 121 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 121 V C 1.555 177.709 176.094 0.100 0.000 1.053 121 V CA 1.429 63.784 62.300 0.091 0.000 1.068 121 V CB -0.306 31.526 31.823 0.016 0.000 0.689 121 V HN 0.172 nan 8.190 nan 0.000 0.462 122 D N 0.553 121.005 120.400 0.087 0.000 2.104 122 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 122 D C 2.166 178.530 176.300 0.108 0.000 0.994 122 D CA 1.537 55.585 54.000 0.080 0.000 0.830 122 D CB -0.127 40.710 40.800 0.061 0.000 0.959 122 D HN 0.553 nan 8.370 nan 0.000 0.452 123 E N 0.583 120.869 120.200 0.144 0.000 2.051 123 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 123 E C 2.334 179.019 176.600 0.140 0.000 0.991 123 E CA 0.287 56.779 56.400 0.154 0.000 0.799 123 E CB -0.262 29.578 29.700 0.233 0.000 0.748 123 E HN 0.217 nan 8.360 nan 0.000 0.449 124 L N 0.781 122.142 121.223 0.230 0.000 2.189 124 L HA -0.233 4.107 4.340 -0.000 0.000 0.214 124 L C 1.985 178.992 176.870 0.228 0.000 1.097 124 L CA 1.339 56.286 54.840 0.177 0.000 0.764 124 L CB -0.036 42.204 42.059 0.301 0.000 0.900 124 L HN 0.030 nan 8.230 nan 0.000 0.436 125 S N -0.366 115.463 115.700 0.214 0.000 2.421 125 S HA -0.040 4.430 4.470 -0.000 0.000 0.224 125 S C 1.678 176.412 174.600 0.224 0.000 1.035 125 S CA 0.647 59.030 58.200 0.304 0.000 0.953 125 S CB 0.050 63.353 63.200 0.172 0.000 0.810 125 S HN 0.420 nan 8.310 nan 0.000 0.497 126 K N 1.186 121.659 120.400 0.121 0.000 2.442 126 K HA 0.058 4.378 4.320 -0.000 0.000 0.199 126 K C 1.437 178.047 176.600 0.018 0.000 1.044 126 K CA 0.908 57.232 56.287 0.062 0.000 0.941 126 K CB -0.206 32.319 32.500 0.043 0.000 0.759 126 K HN 0.416 nan 8.250 nan 0.000 0.472 127 M N -0.083 119.525 119.600 0.013 0.000 2.502 127 M HA 0.120 4.600 4.480 -0.000 0.000 0.243 127 M C 0.872 177.078 176.300 -0.156 0.000 1.130 127 M CA 0.153 55.410 55.300 -0.071 0.000 1.055 127 M CB 0.233 32.769 32.600 -0.107 0.000 1.457 127 M HN 0.222 nan 8.290 nan 0.000 0.488 128 G N 1.865 110.566 108.800 -0.164 0.000 2.806 128 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 128 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 128 G C -2.951 171.286 174.900 -1.105 0.000 1.387 128 G CA -1.129 43.633 45.100 -0.563 0.000 0.884 128 G HN 0.158 nan 8.290 nan 0.000 0.560 129 P HA 0.357 nan 4.420 nan 0.000 0.274 129 P C 0.284 177.176 177.300 -0.680 0.000 1.256 129 P CA 0.654 62.830 63.100 -1.539 0.000 0.795 129 P CB 0.399 31.487 31.700 -1.020 0.000 1.038 130 D N -3.867 116.264 120.400 -0.449 0.000 2.154 130 D HA -0.239 4.401 4.640 -0.000 0.000 0.165 130 D C 1.525 177.709 176.300 -0.194 0.000 1.405 130 D CA 2.240 56.100 54.000 -0.233 0.000 1.308 130 D CB -1.925 38.757 40.800 -0.198 0.000 1.265 130 D HN 0.382 nan 8.370 nan 0.000 0.498 131 M N 1.213 120.668 119.600 -0.240 0.000 2.488 131 M HA 0.254 4.734 4.480 -0.000 0.000 0.253 131 M C 1.626 177.844 176.300 -0.137 0.000 1.236 131 M CA 1.620 56.805 55.300 -0.192 0.000 1.061 131 M CB -0.936 31.539 32.600 -0.208 0.000 1.050 131 M HN 0.003 nan 8.290 nan 0.000 0.498 132 V N 1.543 121.420 119.914 -0.062 0.000 2.530 132 V HA 0.204 4.324 4.120 -0.000 0.000 0.282 132 V C 0.005 176.185 176.094 0.143 0.000 1.048 132 V CA -0.192 62.097 62.300 -0.017 0.000 0.997 132 V CB 0.841 32.665 31.823 0.002 0.000 0.987 132 V HN 0.788 nan 8.190 nan 0.000 0.477 133 D N 2.478 122.909 120.400 0.053 0.000 2.423 133 D HA 0.172 4.812 4.640 -0.000 0.000 0.208 133 D C -0.257 176.146 176.300 0.171 0.000 1.068 133 D CA 0.741 54.827 54.000 0.143 0.000 0.860 133 D CB 0.750 41.600 40.800 0.083 0.000 0.992 133 D HN 0.700 nan 8.370 nan 0.000 0.504 134 Y N -0.212 120.072 120.300 -0.027 0.000 2.583 134 Y HA 0.392 4.942 4.550 -0.000 0.000 0.330 134 Y C -1.985 173.891 175.900 -0.039 0.000 1.185 134 Y CA -1.772 56.249 58.100 -0.132 0.000 1.107 134 Y CB 0.216 38.471 38.460 -0.342 0.000 1.344 134 Y HN -0.170 nan 8.280 nan 0.000 0.463 135 I N 0.872 121.459 120.570 0.028 0.000 2.646 135 I HA 1.002 5.172 4.170 -0.000 0.000 0.299 135 I C -0.037 176.196 176.117 0.192 0.000 1.036 135 I CA -1.277 60.020 61.300 -0.005 0.000 1.074 135 I CB 2.508 40.507 38.000 -0.002 0.000 1.258 135 I HN 1.058 nan 8.210 nan 0.000 0.430 136 G N 4.292 113.226 108.800 0.224 0.000 2.320 136 G HA2 0.504 4.463 3.960 -0.000 0.000 0.300 136 G HA3 0.504 4.463 3.960 -0.000 0.000 0.300 136 G C -0.172 174.744 174.900 0.026 0.000 1.126 136 G CA -0.581 44.644 45.100 0.207 0.000 0.896 136 G HN 0.755 nan 8.290 nan 0.000 0.436 137 V N 2.637 122.532 119.914 -0.032 0.000 2.405 137 V HA 0.685 4.805 4.120 -0.000 0.000 0.264 137 V C 1.217 177.216 176.094 -0.159 0.000 1.048 137 V CA -0.138 62.096 62.300 -0.111 0.000 0.966 137 V CB -0.176 31.575 31.823 -0.121 0.000 1.015 137 V HN 1.596 nan 8.190 nan 0.000 0.477 138 G N 5.253 113.932 108.800 -0.202 0.000 2.561 138 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.360 138 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.360 138 G C 0.121 174.906 174.900 -0.192 0.000 1.328 138 G CA 0.282 45.234 45.100 -0.246 0.000 0.918 138 G HN 1.390 nan 8.290 nan 0.000 0.542 139 T N 1.371 115.807 114.554 -0.196 0.000 2.801 139 T HA 0.511 4.860 4.350 -0.000 0.000 0.306 139 T C 1.817 176.379 174.700 -0.232 0.000 1.020 139 T CA -0.307 61.697 62.100 -0.159 0.000 0.948 139 T CB 1.219 70.032 68.868 -0.093 0.000 0.962 139 T HN 0.511 nan 8.240 nan 0.000 0.465 140 L N 1.743 122.778 121.223 -0.314 0.000 2.012 140 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 140 L C 0.108 176.494 176.870 -0.808 0.000 1.073 140 L CA 1.628 56.083 54.840 -0.642 0.000 0.748 140 L CB -0.180 41.412 42.059 -0.778 0.000 0.891 140 L HN 0.479 nan 8.230 nan 0.000 0.431 141 F N -1.914 118.015 119.950 -0.034 0.000 2.593 141 F HA 0.471 4.997 4.527 -0.000 0.000 0.320 141 F C -2.177 173.628 175.800 0.008 0.000 1.060 141 F CA -3.058 54.944 58.000 0.002 0.000 0.940 141 F CB 0.163 39.177 39.000 0.024 0.000 1.268 141 F HN -0.355 nan 8.300 nan 0.000 0.475 142 P HA 0.199 nan 4.420 nan 0.000 0.269 142 P C -0.375 176.999 177.300 0.123 0.000 1.209 142 P CA 0.066 63.245 63.100 0.130 0.000 0.776 142 P CB 0.888 32.660 31.700 0.121 0.000 0.876 155 G N 1.639 110.238 108.800 -0.334 0.000 2.749 155 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.242 155 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.242 155 G C 0.496 175.190 174.900 -0.343 0.000 1.364 155 G CA 1.396 46.236 45.100 -0.433 0.000 0.888 155 G HN 1.103 nan 8.290 nan 0.000 0.566 156 T N -1.639 112.767 114.554 -0.247 0.000 2.759 156 T HA 0.097 4.447 4.350 -0.000 0.000 0.269 156 T C 2.737 177.343 174.700 -0.157 0.000 1.042 156 T CA 2.921 64.913 62.100 -0.180 0.000 1.140 156 T CB -0.670 68.137 68.868 -0.101 0.000 0.864 156 T HN 2.031 nan 8.240 nan 0.000 0.455 157 A N 2.116 124.879 122.820 -0.095 0.000 1.892 157 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 157 A C 2.758 180.278 177.584 -0.107 0.000 1.188 157 A CA 1.941 53.929 52.037 -0.082 0.000 0.631 157 A CB -1.648 17.395 19.000 0.072 0.000 0.822 157 A HN 0.630 nan 8.150 nan 0.000 0.447 158 G N -1.193 107.531 108.800 -0.127 0.000 2.448 158 G HA2 0.120 4.080 3.960 -0.000 0.000 0.218 158 G HA3 0.120 4.080 3.960 -0.000 0.000 0.218 158 G C 1.623 176.411 174.900 -0.188 0.000 1.135 158 G CA 1.259 46.264 45.100 -0.159 0.000 0.784 158 G HN 0.795 nan 8.290 nan 0.000 0.543 159 A N 0.844 123.546 122.820 -0.197 0.000 1.897 159 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 159 A C 2.332 179.831 177.584 -0.142 0.000 1.181 159 A CA 1.000 52.928 52.037 -0.182 0.000 0.620 159 A CB -0.328 18.557 19.000 -0.191 0.000 0.821 159 A HN 0.327 nan 8.150 nan 0.000 0.443 160 I N -0.599 119.888 120.570 -0.139 0.000 2.151 160 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 160 I C 2.725 178.788 176.117 -0.090 0.000 1.080 160 I CA 1.592 62.823 61.300 -0.116 0.000 1.339 160 I CB -0.300 37.614 38.000 -0.143 0.000 1.039 160 I HN 0.282 nan 8.210 nan 0.000 0.409 161 R N -0.109 120.338 120.500 -0.089 0.000 2.139 161 R HA -0.160 4.179 4.340 -0.000 0.000 0.243 161 R C 2.218 178.484 176.300 -0.057 0.000 1.145 161 R CA 1.307 57.371 56.100 -0.060 0.000 0.976 161 R CB -0.334 29.939 30.300 -0.044 0.000 0.866 161 R HN 0.274 nan 8.270 nan 0.000 0.449 162 V N 1.056 120.921 119.914 -0.082 0.000 2.273 162 V HA -0.189 3.931 4.120 -0.000 0.000 0.242 162 V C 2.248 178.298 176.094 -0.073 0.000 1.035 162 V CA 1.459 63.712 62.300 -0.079 0.000 1.013 162 V CB -0.333 31.424 31.823 -0.110 0.000 0.652 162 V HN 0.273 nan 8.190 nan 0.000 0.452 163 L N 0.002 121.178 121.223 -0.078 0.000 2.137 163 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 163 L C 2.275 179.110 176.870 -0.058 0.000 1.085 163 L CA 1.661 56.459 54.840 -0.069 0.000 0.760 163 L CB -0.769 41.254 42.059 -0.060 0.000 0.893 163 L HN 0.369 nan 8.230 nan 0.000 0.434 164 D N -0.080 120.290 120.400 -0.051 0.000 2.144 164 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 164 D C 2.230 178.506 176.300 -0.040 0.000 0.978 164 D CA 1.388 55.364 54.000 -0.040 0.000 0.833 164 D CB 0.058 40.837 40.800 -0.035 0.000 0.961 164 D HN 0.301 nan 8.370 nan 0.000 0.470 165 A N 0.323 123.119 122.820 -0.040 0.000 1.969 165 A HA -0.044 4.275 4.320 -0.000 0.000 0.218 165 A C 2.221 179.771 177.584 -0.056 0.000 1.169 165 A CA 0.537 52.554 52.037 -0.034 0.000 0.635 165 A CB -0.617 18.372 19.000 -0.019 0.000 0.810 165 A HN 0.230 nan 8.150 nan 0.000 0.445 166 L N -1.124 120.051 121.223 -0.080 0.000 2.456 166 L HA -0.120 4.220 4.340 -0.000 0.000 0.224 166 L C 2.327 179.123 176.870 -0.124 0.000 1.148 166 L CA 1.243 56.004 54.840 -0.132 0.000 0.825 166 L CB -0.099 41.872 42.059 -0.146 0.000 0.937 166 L HN 0.448 nan 8.230 nan 0.000 0.450 167 E N -0.227 119.928 120.200 -0.076 0.000 2.228 167 E HA -0.074 4.276 4.350 -0.000 0.000 0.197 167 E C 2.120 178.698 176.600 -0.036 0.000 0.909 167 E CA 0.167 56.535 56.400 -0.054 0.000 0.911 167 E CB 0.113 29.788 29.700 -0.042 0.000 0.887 167 E HN 0.117 nan 8.360 nan 0.000 0.481 168 R N 0.380 120.861 120.500 -0.031 0.000 2.159 168 R HA -0.072 4.267 4.340 -0.000 0.000 0.237 168 R C 0.740 177.035 176.300 -0.008 0.000 1.131 168 R CA 1.791 57.881 56.100 -0.017 0.000 0.982 168 R CB -0.209 30.082 30.300 -0.015 0.000 0.868 168 R HN 0.068 nan 8.270 nan 0.000 0.453 169 N N 0.470 119.157 118.700 -0.021 0.000 2.280 169 N HA -0.037 4.702 4.740 -0.000 0.000 0.192 169 N C -0.616 174.891 175.510 -0.006 0.000 1.109 169 N CA 0.058 53.103 53.050 -0.008 0.000 0.855 169 N CB 0.272 38.746 38.487 -0.023 0.000 0.974 169 N HN 0.201 nan 8.380 nan 0.000 0.482 170 N N 0.958 119.647 118.700 -0.019 0.000 2.666 170 N HA -0.251 4.489 4.740 -0.000 0.000 0.274 170 N C -0.763 174.705 175.510 -0.071 0.000 1.043 170 N CA 0.563 53.618 53.050 0.009 0.000 0.782 170 N CB -0.859 37.684 38.487 0.094 0.000 0.912 170 N HN 0.288 nan 8.380 nan 0.000 0.556 171 A N 3.092 125.695 122.820 -0.362 0.000 3.258 171 A HA 0.130 4.450 4.320 -0.000 0.000 0.275 171 A C 1.572 178.626 177.584 -0.883 0.000 1.452 171 A CA 0.105 51.492 52.037 -1.083 0.000 1.120 171 A CB -0.583 17.735 19.000 -1.138 0.000 1.107 171 A HN 0.733 nan 8.150 nan 0.000 0.651 172 H N -1.084 117.823 119.070 -0.273 0.000 2.472 172 H HA -0.275 4.281 4.556 -0.000 0.000 0.296 172 H C 1.404 176.718 175.328 -0.023 0.000 1.120 172 H CA 2.047 58.051 56.048 -0.074 0.000 1.250 172 H CB -0.501 29.307 29.762 0.076 0.000 1.366 172 H HN 0.915 nan 8.280 nan 0.000 0.524 173 W N 1.050 122.055 121.300 -0.492 0.000 3.003 173 W HA 0.297 4.957 4.660 -0.000 0.000 0.257 173 W C 0.317 176.771 176.519 -0.108 0.000 1.308 173 W CA -0.667 56.510 57.345 -0.279 0.000 1.529 173 W CB -0.594 28.624 29.460 -0.403 0.000 1.115 173 W HN 0.172 nan 8.180 nan 0.000 0.659 174 C N 5.421 124.376 119.300 -0.575 0.000 2.239 174 C HA 0.516 4.976 4.460 -0.000 0.000 0.325 174 C C 0.751 175.628 174.990 -0.188 0.000 1.231 174 C CA -1.211 57.597 59.018 -0.350 0.000 1.652 174 C CB -0.493 26.893 27.740 -0.589 0.000 2.284 174 C HN 0.181 nan 8.230 nan 0.000 0.499 175 R N 3.299 123.745 120.500 -0.090 0.000 2.580 175 R HA 0.605 4.945 4.340 -0.000 0.000 0.267 175 R C 0.197 176.398 176.300 -0.164 0.000 1.125 175 R CA -0.077 55.933 56.100 -0.151 0.000 1.188 175 R CB 0.473 30.612 30.300 -0.269 0.000 1.155 175 R HN 0.847 nan 8.270 nan 0.000 0.586 176 T N -2.500 111.946 114.554 -0.179 0.000 2.916 176 T HA 0.545 4.895 4.350 -0.000 0.000 0.298 176 T C -0.203 174.445 174.700 -0.086 0.000 1.031 176 T CA -0.948 61.096 62.100 -0.093 0.000 0.993 176 T CB 1.501 70.330 68.868 -0.066 0.000 1.045 176 T HN 0.404 nan 8.240 nan 0.000 0.454 177 V N -0.427 119.492 119.914 0.009 0.000 2.735 177 V HA 0.996 5.115 4.120 -0.000 0.000 0.310 177 V C 0.428 176.539 176.094 0.028 0.000 1.061 177 V CA -0.872 61.458 62.300 0.050 0.000 0.913 177 V CB 1.434 33.360 31.823 0.171 0.000 1.005 177 V HN 1.272 nan 8.190 nan 0.000 0.428 178 G N 2.588 111.384 108.800 -0.006 0.000 2.420 178 G HA2 0.666 4.626 3.960 -0.000 0.000 0.284 178 G HA3 0.666 4.626 3.960 -0.000 0.000 0.284 178 G C -0.947 173.917 174.900 -0.059 0.000 1.177 178 G CA -0.509 44.561 45.100 -0.050 0.000 0.841 178 G HN 1.092 nan 8.290 nan 0.000 0.527 179 I N 0.138 120.655 120.570 -0.089 0.000 2.752 179 I HA 0.641 4.811 4.170 -0.000 0.000 0.295 179 I C -0.168 175.889 176.117 -0.100 0.000 1.219 179 I CA -0.261 60.978 61.300 -0.103 0.000 1.030 179 I CB 2.180 40.107 38.000 -0.122 0.000 1.259 179 I HN 1.185 nan 8.210 nan 0.000 0.423 180 G N 4.333 113.086 108.800 -0.078 0.000 2.768 180 G HA2 0.393 4.352 3.960 -0.000 0.000 0.666 180 G HA3 0.393 4.352 3.960 -0.000 0.000 0.666 180 G C 0.347 175.286 174.900 0.064 0.000 1.162 180 G CA -0.362 44.717 45.100 -0.036 0.000 1.226 180 G HN 1.824 nan 8.290 nan 0.000 0.535 181 G N -0.676 108.145 108.800 0.036 0.000 2.160 181 G HA2 0.012 3.972 3.960 -0.000 0.000 0.244 181 G HA3 0.012 3.972 3.960 -0.000 0.000 0.244 181 G C 0.308 175.243 174.900 0.059 0.000 1.022 181 G CA 0.420 45.596 45.100 0.128 0.000 0.741 181 G HN 1.566 nan 8.290 nan 0.000 0.508 182 L N 1.891 123.013 121.223 -0.168 0.000 2.281 182 L HA 0.603 4.943 4.340 -0.000 0.000 0.285 182 L C 0.652 177.211 176.870 -0.518 0.000 1.074 182 L CA -0.408 54.326 54.840 -0.177 0.000 0.817 182 L CB 0.515 42.512 42.059 -0.104 0.000 1.168 182 L HN 0.338 nan 8.230 nan 0.000 0.434 183 H N 3.656 122.694 119.070 -0.054 0.000 2.931 183 H HA 0.344 4.900 4.556 -0.000 0.000 0.331 183 H C -1.925 173.356 175.328 -0.079 0.000 1.273 183 H CA -1.577 54.431 56.048 -0.066 0.000 1.171 183 H CB 1.188 30.902 29.762 -0.079 0.000 1.898 183 H HN 0.187 nan 8.280 nan 0.000 0.562 184 P HA -0.112 nan 4.420 nan 0.000 0.222 184 P C 0.529 177.813 177.300 -0.026 0.000 1.147 184 P CA 1.474 64.576 63.100 0.003 0.000 0.790 184 P CB -0.025 31.681 31.700 0.011 0.000 0.780 185 D N -1.417 118.970 120.400 -0.021 0.000 2.352 185 D HA -0.074 4.566 4.640 -0.000 0.000 0.232 185 D C 0.809 177.048 176.300 -0.102 0.000 1.055 185 D CA 0.305 54.270 54.000 -0.058 0.000 0.891 185 D CB -0.861 39.892 40.800 -0.078 0.000 0.897 185 D HN 0.195 nan 8.370 nan 0.000 0.529 186 N N -0.820 117.807 118.700 -0.121 0.000 1.856 186 N HA -0.033 4.707 4.740 -0.000 0.000 0.223 186 N C 0.557 175.979 175.510 -0.147 0.000 1.438 186 N CA -0.294 52.653 53.050 -0.171 0.000 0.693 186 N CB -1.104 37.192 38.487 -0.318 0.000 1.051 186 N HN 0.244 nan 8.380 nan 0.000 0.563 187 I N 1.730 122.211 120.570 -0.148 0.000 2.286 187 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 187 I C 2.092 178.024 176.117 -0.307 0.000 1.104 187 I CA 1.512 62.718 61.300 -0.157 0.000 1.397 187 I CB 0.065 37.997 38.000 -0.113 0.000 1.072 187 I HN 0.256 nan 8.210 nan 0.000 0.417 188 E N 0.843 120.773 120.200 -0.450 0.000 2.106 188 E HA -0.286 4.063 4.350 -0.000 0.000 0.192 188 E C 2.170 178.224 176.600 -0.910 0.000 0.984 188 E CA 0.922 56.830 56.400 -0.819 0.000 0.806 188 E CB -0.457 28.726 29.700 -0.862 0.000 0.750 188 E HN 0.466 nan 8.360 nan 0.000 0.458 189 R N 1.514 121.606 120.500 -0.679 0.000 2.092 189 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 189 R C 2.208 178.440 176.300 -0.112 0.000 1.119 189 R CA 1.002 56.955 56.100 -0.246 0.000 0.970 189 R CB -0.129 30.145 30.300 -0.044 0.000 0.864 189 R HN 0.062 nan 8.270 nan 0.000 0.440 190 V N 1.097 120.936 119.914 -0.124 0.000 2.307 190 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 190 V C 2.240 178.255 176.094 -0.131 0.000 1.045 190 V CA 1.255 63.517 62.300 -0.064 0.000 1.024 190 V CB -0.403 31.427 31.823 0.010 0.000 0.651 190 V HN 0.282 nan 8.190 nan 0.000 0.449 191 L N -0.831 120.253 121.223 -0.232 0.000 2.079 191 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 191 L C 2.207 179.003 176.870 -0.123 0.000 1.081 191 L CA 2.070 56.773 54.840 -0.228 0.000 0.752 191 L CB -1.178 40.607 42.059 -0.456 0.000 0.896 191 L HN 0.525 nan 8.230 nan 0.000 0.433 192 Y N 0.385 120.479 120.300 -0.345 0.000 2.184 192 Y HA -0.249 4.301 4.550 -0.000 0.000 0.290 192 Y C 2.402 178.256 175.900 -0.078 0.000 1.129 192 Y CA 1.476 59.511 58.100 -0.108 0.000 1.144 192 Y CB 0.250 38.697 38.460 -0.022 0.000 0.995 192 Y HN 0.442 nan 8.280 nan 0.000 0.513 193 Q N -1.594 118.039 119.800 -0.279 0.000 2.319 193 Q HA 0.149 4.489 4.340 -0.000 0.000 0.209 193 Q C 0.375 176.209 176.000 -0.276 0.000 0.884 193 Q CA 0.062 55.609 55.803 -0.427 0.000 0.938 193 Q CB -0.103 28.378 28.738 -0.428 0.000 1.098 193 Q HN 0.266 nan 8.270 nan 0.000 0.517 194 C N 3.325 122.520 119.300 -0.175 0.000 2.756 194 C HA 0.405 4.864 4.460 -0.000 0.000 0.504 194 C C 0.384 175.318 174.990 -0.093 0.000 1.028 194 C CA -0.895 58.043 59.018 -0.133 0.000 1.167 194 C CB -1.753 25.922 27.740 -0.108 0.000 1.444 194 C HN 0.379 nan 8.230 nan 0.000 0.577 195 V N 0.405 120.258 119.914 -0.101 0.000 2.914 195 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 195 V C 0.137 176.249 176.094 0.030 0.000 1.084 195 V CA -0.539 61.750 62.300 -0.019 0.000 0.963 195 V CB 1.591 33.418 31.823 0.007 0.000 1.025 195 V HN 0.372 nan 8.190 nan 0.000 0.432 196 S N 1.994 117.727 115.700 0.054 0.000 2.569 196 S HA 0.117 4.587 4.470 -0.000 0.000 0.274 196 S C 1.359 176.032 174.600 0.122 0.000 1.353 196 S CA 0.529 58.756 58.200 0.045 0.000 1.023 196 S CB 0.966 64.176 63.200 0.017 0.000 0.876 196 S HN 1.000 nan 8.310 nan 0.000 0.540 197 S N 1.758 117.491 115.700 0.054 0.000 2.481 197 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 197 S C 1.247 175.761 174.600 -0.144 0.000 0.996 197 S CA 0.975 59.189 58.200 0.023 0.000 0.942 197 S CB -0.499 62.687 63.200 -0.023 0.000 0.768 197 S HN 0.871 nan 8.310 nan 0.000 0.520 198 N N 0.374 119.018 118.700 -0.093 0.000 2.276 198 N HA 0.232 4.972 4.740 -0.000 0.000 0.212 198 N C 0.977 176.430 175.510 -0.095 0.000 1.127 198 N CA 0.625 53.596 53.050 -0.132 0.000 0.834 198 N CB -0.355 38.083 38.487 -0.082 0.000 1.014 198 N HN 0.198 nan 8.380 nan 0.000 0.491 199 G N 0.576 109.365 108.800 -0.020 0.000 2.228 199 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.270 199 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.270 199 G C 1.009 175.953 174.900 0.073 0.000 0.976 199 G CA 0.855 46.017 45.100 0.102 0.000 0.636 199 G HN 0.496 nan 8.290 nan 0.000 0.542 200 K N -0.319 120.099 120.400 0.029 0.000 2.418 200 K HA 0.089 4.409 4.320 -0.000 0.000 0.195 200 K C 1.215 177.832 176.600 0.028 0.000 1.035 200 K CA 0.456 56.757 56.287 0.023 0.000 1.003 200 K CB 0.217 32.720 32.500 0.004 0.000 0.793 200 K HN 0.425 nan 8.250 nan 0.000 0.494 201 R N 0.700 121.219 120.500 0.031 0.000 2.564 201 R HA 0.137 4.476 4.340 -0.000 0.000 0.284 201 R C -1.079 175.235 176.300 0.024 0.000 1.031 201 R CA -0.232 55.880 56.100 0.020 0.000 0.904 201 R CB 1.674 31.969 30.300 -0.007 0.000 1.199 201 R HN 0.025 nan 8.270 nan 0.000 0.443 202 S N 3.940 119.656 115.700 0.028 0.000 2.837 202 S HA 0.541 5.011 4.470 -0.000 0.000 0.314 202 S C -0.125 174.480 174.600 0.009 0.000 1.098 202 S CA -0.953 57.260 58.200 0.023 0.000 0.903 202 S CB 0.808 64.040 63.200 0.054 0.000 1.310 202 S HN 0.474 nan 8.310 nan 0.000 0.581 203 L N 1.328 122.554 121.223 0.006 0.000 2.410 203 L HA 0.242 4.582 4.340 -0.000 0.000 0.273 203 L C 0.265 177.150 176.870 0.026 0.000 1.152 203 L CA -0.101 54.739 54.840 -0.001 0.000 0.855 203 L CB 0.182 42.234 42.059 -0.012 0.000 1.129 203 L HN 0.769 nan 8.230 nan 0.000 0.463 204 D N 1.384 121.793 120.400 0.014 0.000 2.347 204 D HA 0.156 4.796 4.640 -0.000 0.000 0.215 204 D C 0.742 177.104 176.300 0.103 0.000 0.976 204 D CA 0.635 54.669 54.000 0.056 0.000 0.884 204 D CB 0.474 41.291 40.800 0.029 0.000 0.915 204 D HN 0.717 nan 8.370 nan 0.000 0.526 205 G N -0.608 108.241 108.800 0.082 0.000 2.441 205 G HA2 0.459 4.418 3.960 -0.000 0.000 0.294 205 G HA3 0.459 4.418 3.960 -0.000 0.000 0.294 205 G C -1.863 173.085 174.900 0.080 0.000 1.393 205 G CA -0.860 44.305 45.100 0.108 0.000 0.796 205 G HN 0.014 nan 8.290 nan 0.000 0.494 206 I N -0.114 120.505 120.570 0.082 0.000 2.498 206 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 206 I C -0.487 175.653 176.117 0.038 0.000 1.032 206 I CA -0.652 60.669 61.300 0.035 0.000 1.073 206 I CB 2.178 40.180 38.000 0.003 0.000 1.251 206 I HN 0.471 nan 8.210 nan 0.000 0.426 207 C N 6.815 126.098 119.300 -0.029 0.000 2.246 207 C HA 0.448 4.908 4.460 -0.000 0.000 0.329 207 C C 0.382 175.292 174.990 -0.133 0.000 1.221 207 C CA -0.718 58.228 59.018 -0.120 0.000 1.697 207 C CB -0.085 27.506 27.740 -0.249 0.000 2.312 207 C HN 0.473 nan 8.230 nan 0.000 0.509 208 V N 3.968 123.813 119.914 -0.114 0.000 2.612 208 V HA 0.837 4.957 4.120 -0.000 0.000 0.301 208 V C -0.108 175.910 176.094 -0.126 0.000 1.046 208 V CA -0.192 62.026 62.300 -0.136 0.000 0.946 208 V CB 1.385 33.147 31.823 -0.103 0.000 1.003 208 V HN 0.612 nan 8.190 nan 0.000 0.459 209 V N 2.418 122.255 119.914 -0.128 0.000 4.213 209 V HA 0.076 4.196 4.120 -0.000 0.000 0.179 209 V C 2.230 178.297 176.094 -0.046 0.000 1.148 209 V CA 1.078 63.325 62.300 -0.088 0.000 1.346 209 V CB 0.030 31.799 31.823 -0.090 0.000 1.703 209 V HN 0.966 nan 8.190 nan 0.000 0.525 210 S N 0.169 115.859 115.700 -0.017 0.000 2.537 210 S HA -0.182 4.287 4.470 -0.000 0.000 0.240 210 S C 1.189 175.833 174.600 0.074 0.000 0.981 210 S CA 1.802 60.030 58.200 0.045 0.000 0.948 210 S CB -0.399 62.865 63.200 0.106 0.000 0.759 210 S HN 0.647 nan 8.310 nan 0.000 0.531 211 D N 0.621 121.044 120.400 0.039 0.000 2.327 211 D HA 0.271 4.911 4.640 -0.000 0.000 0.205 211 D C 1.509 177.825 176.300 0.025 0.000 0.989 211 D CA 0.513 54.554 54.000 0.069 0.000 0.873 211 D CB 0.098 40.925 40.800 0.044 0.000 0.955 211 D HN 0.458 nan 8.370 nan 0.000 0.515 212 I N -0.349 120.221 120.570 -0.001 0.000 3.300 212 I HA -0.035 4.135 4.170 -0.000 0.000 0.279 212 I C 1.587 177.700 176.117 -0.006 0.000 1.172 212 I CA -0.085 61.211 61.300 -0.007 0.000 1.431 212 I CB 0.309 38.297 38.000 -0.019 0.000 1.240 212 I HN -0.043 nan 8.210 nan 0.000 0.453 213 I N 1.889 122.454 120.570 -0.008 0.000 2.127 213 I HA -0.241 3.929 4.170 -0.000 0.000 0.241 213 I C 2.574 178.693 176.117 0.003 0.000 1.075 213 I CA 1.889 63.185 61.300 -0.006 0.000 1.334 213 I CB -1.322 36.672 38.000 -0.010 0.000 1.040 213 I HN 0.147 nan 8.210 nan 0.000 0.405 214 A N -0.164 122.661 122.820 0.009 0.000 2.238 214 A HA 0.029 4.349 4.320 -0.000 0.000 0.208 214 A C 1.377 178.967 177.584 0.010 0.000 1.177 214 A CA 0.180 52.223 52.037 0.011 0.000 0.804 214 A CB -0.445 18.564 19.000 0.016 0.000 0.823 214 A HN 0.337 nan 8.150 nan 0.000 0.482 215 S N -0.423 115.283 115.700 0.010 0.000 2.531 215 S HA 0.325 4.795 4.470 -0.000 0.000 0.279 215 S C 1.039 175.643 174.600 0.006 0.000 1.305 215 S CA -0.506 57.699 58.200 0.008 0.000 1.058 215 S CB 0.224 63.429 63.200 0.008 0.000 0.899 215 S HN 0.379 nan 8.310 nan 0.000 0.493 216 L N 2.911 124.137 121.223 0.004 0.000 2.291 216 L HA 0.165 4.505 4.340 -0.000 0.000 0.214 216 L C 0.754 177.627 176.870 0.005 0.000 1.120 216 L CA 0.723 55.566 54.840 0.004 0.000 0.799 216 L CB -0.023 42.037 42.059 0.002 0.000 0.925 216 L HN 0.576 nan 8.230 nan 0.000 0.446 217 D N -0.636 119.767 120.400 0.005 0.000 2.400 217 D HA 0.298 4.938 4.640 -0.000 0.000 0.272 217 D C 0.807 177.109 176.300 0.003 0.000 1.220 217 D CA -0.004 53.999 54.000 0.005 0.000 0.897 217 D CB 1.286 42.088 40.800 0.004 0.000 1.134 217 D HN 0.018 nan 8.370 nan 0.000 0.507 218 A N 2.381 125.202 122.820 0.002 0.000 1.972 218 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 218 A C 2.144 179.725 177.584 -0.006 0.000 1.169 218 A CA 1.707 53.742 52.037 -0.003 0.000 0.635 218 A CB -0.283 18.712 19.000 -0.009 0.000 0.810 218 A HN 0.538 nan 8.150 nan 0.000 0.446 219 A N -0.123 122.695 122.820 -0.003 0.000 1.902 219 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 219 A C 2.135 179.719 177.584 0.001 0.000 1.181 219 A CA 2.002 54.038 52.037 -0.002 0.000 0.623 219 A CB -0.412 18.590 19.000 0.004 0.000 0.818 219 A HN 0.564 nan 8.150 nan 0.000 0.443 220 K N -0.482 119.920 120.400 0.003 0.000 2.001 220 K HA -0.079 4.240 4.320 -0.000 0.000 0.208 220 K C 2.247 178.849 176.600 0.003 0.000 1.048 220 K CA 1.437 57.726 56.287 0.004 0.000 0.932 220 K CB -0.264 32.238 32.500 0.004 0.000 0.715 220 K HN 0.363 nan 8.250 nan 0.000 0.437 221 S N 0.218 115.920 115.700 0.003 0.000 2.402 221 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 221 S C 1.743 176.344 174.600 0.003 0.000 1.030 221 S CA 1.876 60.080 58.200 0.006 0.000 1.003 221 S CB -0.304 62.901 63.200 0.008 0.000 0.813 221 S HN 0.472 nan 8.310 nan 0.000 0.477 222 T N 1.459 116.011 114.554 -0.002 0.000 2.851 222 T HA 0.019 4.368 4.350 -0.000 0.000 0.262 222 T C 2.406 177.106 174.700 -0.000 0.000 1.043 222 T CA 1.522 63.619 62.100 -0.005 0.000 1.140 222 T CB -0.413 68.447 68.868 -0.013 0.000 0.872 222 T HN 0.575 nan 8.240 nan 0.000 0.446 223 K N 1.409 121.810 120.400 0.002 0.000 2.103 223 K HA -0.001 4.319 4.320 -0.000 0.000 0.207 223 K C 2.098 178.703 176.600 0.008 0.000 1.048 223 K CA 1.420 57.711 56.287 0.006 0.000 0.930 223 K CB -1.214 31.290 32.500 0.006 0.000 0.716 223 K HN 0.494 nan 8.250 nan 0.000 0.444 224 I N 0.255 120.829 120.570 0.007 0.000 2.163 224 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 224 I C 2.487 178.610 176.117 0.010 0.000 1.081 224 I CA 1.176 62.482 61.300 0.009 0.000 1.353 224 I CB -0.126 37.879 38.000 0.008 0.000 1.054 224 I HN 0.216 nan 8.210 nan 0.000 0.407 225 L N -0.137 121.090 121.223 0.006 0.000 2.191 225 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 225 L C 2.677 179.554 176.870 0.013 0.000 1.103 225 L CA 0.687 55.529 54.840 0.004 0.000 0.769 225 L CB -0.592 41.465 42.059 -0.004 0.000 0.908 225 L HN 0.209 nan 8.230 nan 0.000 0.438 226 R N 0.561 121.070 120.500 0.014 0.000 2.066 226 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 226 R C 2.303 178.620 176.300 0.028 0.000 1.131 226 R CA 1.395 57.507 56.100 0.019 0.000 0.955 226 R CB -1.218 29.090 30.300 0.013 0.000 0.851 226 R HN 0.367 nan 8.270 nan 0.000 0.432 227 G N 0.889 109.703 108.800 0.024 0.000 2.469 227 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 227 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 227 G C 1.309 176.237 174.900 0.048 0.000 1.136 227 G CA 0.670 45.787 45.100 0.029 0.000 0.759 227 G HN 0.190 nan 8.290 nan 0.000 0.562 228 L N 0.252 121.505 121.223 0.050 0.000 2.131 228 L HA 0.218 4.558 4.340 -0.000 0.000 0.206 228 L C 2.769 179.719 176.870 0.134 0.000 1.087 228 L CA 0.808 55.695 54.840 0.078 0.000 0.767 228 L CB -0.464 41.608 42.059 0.022 0.000 0.917 228 L HN 0.203 nan 8.230 nan 0.000 0.441 229 I N 0.140 120.766 120.570 0.093 0.000 2.353 229 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 229 I C 1.091 177.292 176.117 0.141 0.000 1.119 229 I CA 1.292 62.663 61.300 0.117 0.000 1.417 229 I CB -0.254 37.786 38.000 0.066 0.000 1.078 229 I HN 0.389 nan 8.210 nan 0.000 0.421 230 D N -0.266 120.184 120.400 0.084 0.000 2.402 230 D HA 0.051 4.691 4.640 -0.000 0.000 0.216 230 D C 0.655 176.960 176.300 0.008 0.000 1.128 230 D CA -0.265 53.762 54.000 0.046 0.000 0.833 230 D CB -0.053 40.764 40.800 0.028 0.000 0.971 230 D HN 0.079 nan 8.370 nan 0.000 0.503 231 K N -0.002 120.409 120.400 0.018 0.000 2.118 231 K HA 0.330 4.650 4.320 -0.000 0.000 0.240 231 K C 0.529 176.958 176.600 -0.285 0.000 1.035 231 K CA 0.234 56.483 56.287 -0.062 0.000 0.899 231 K CB 0.630 33.142 32.500 0.020 0.000 1.085 231 K HN 0.083 nan 8.250 nan 0.000 0.498 232 T N -2.339 111.979 114.554 -0.392 0.000 3.130 232 T HA 0.217 4.567 4.350 -0.000 0.000 0.288 232 T C -0.848 173.496 174.700 -0.593 0.000 0.936 232 T CA -0.585 61.136 62.100 -0.631 0.000 0.897 232 T CB 0.187 68.877 68.868 -0.297 0.000 1.178 232 T HN 0.396 nan 8.240 nan 0.000 0.543 233 D N 1.783 121.965 120.400 -0.364 0.000 2.425 233 D HA 0.226 4.866 4.640 -0.000 0.000 0.240 233 D C -1.562 174.804 176.300 0.110 0.000 1.080 233 D CA -0.460 53.465 54.000 -0.126 0.000 0.836 233 D CB 1.529 42.291 40.800 -0.064 0.000 1.125 233 D HN 0.134 nan 8.370 nan 0.000 0.525 234 Y N 2.926 123.230 120.300 0.007 0.000 2.751 234 Y HA 0.125 4.675 4.550 -0.000 0.000 0.333 234 Y C 0.083 175.961 175.900 -0.037 0.000 1.122 234 Y CA -0.981 57.147 58.100 0.045 0.000 1.367 234 Y CB 0.236 38.637 38.460 -0.099 0.000 1.242 234 Y HN -0.017 nan 8.280 nan 0.000 0.505 235 K N 6.806 127.199 120.400 -0.012 0.000 2.081 235 K HA -0.013 4.307 4.320 -0.000 0.000 0.230 235 K C 0.607 176.997 176.600 -0.350 0.000 1.199 235 K CA 0.086 56.238 56.287 -0.226 0.000 1.130 235 K CB -0.872 31.559 32.500 -0.115 0.000 1.386 235 K HN 0.733 nan 8.250 nan 0.000 0.280 236 F N -0.342 119.230 119.950 -0.630 0.000 2.615 236 F HA 0.112 4.639 4.527 -0.000 0.000 0.297 236 F C 0.575 176.213 175.800 -0.269 0.000 1.124 236 F CA -0.486 57.088 58.000 -0.709 0.000 1.451 236 F CB 0.237 38.551 39.000 -1.144 0.000 1.103 236 F HN -0.063 nan 8.300 nan 0.000 0.569 237 V N 1.502 121.025 119.914 -0.652 0.000 2.760 237 V HA 0.351 4.470 4.120 -0.000 0.000 0.309 237 V C -0.783 175.147 176.094 -0.272 0.000 1.077 237 V CA -0.973 61.134 62.300 -0.321 0.000 0.910 237 V CB 1.744 33.405 31.823 -0.270 0.000 1.008 237 V HN 0.182 nan 8.190 nan 0.000 0.424 238 N N 5.719 124.341 118.700 -0.129 0.000 3.210 238 N HA 0.348 5.088 4.740 -0.000 0.000 0.314 238 N C -0.772 174.693 175.510 -0.075 0.000 1.291 238 N CA 0.360 53.352 53.050 -0.098 0.000 1.202 238 N CB -0.754 37.695 38.487 -0.064 0.000 1.475 238 N HN 0.607 nan 8.380 nan 0.000 0.554 239 I N -1.113 119.390 120.570 -0.112 0.000 2.827 239 I HA 0.341 4.511 4.170 -0.000 0.000 0.298 239 I C 0.701 176.762 176.117 -0.094 0.000 1.235 239 I CA -1.595 59.665 61.300 -0.067 0.000 1.021 239 I CB 2.036 40.011 38.000 -0.041 0.000 1.259 239 I HN 0.083 nan 8.210 nan 0.000 0.427 240 G N 3.583 112.355 108.800 -0.046 0.000 2.414 240 G HA2 0.299 4.259 3.960 -0.000 0.000 0.236 240 G HA3 0.299 4.259 3.960 -0.000 0.000 0.236 240 G C 0.189 175.056 174.900 -0.055 0.000 1.293 240 G CA -0.021 45.053 45.100 -0.044 0.000 0.869 240 G HN 0.616 nan 8.290 nan 0.000 0.556 241 L N 1.700 122.883 121.223 -0.067 0.000 2.959 241 L HA 0.144 4.484 4.340 -0.000 0.000 0.259 241 L C 1.063 177.925 176.870 -0.013 0.000 1.185 241 L CA -0.236 54.575 54.840 -0.048 0.000 0.998 241 L CB 0.179 42.181 42.059 -0.094 0.000 1.337 241 L HN 0.385 nan 8.230 nan 0.000 0.555 242 S N 0.560 116.253 115.700 -0.012 0.000 2.561 242 S HA -0.012 4.457 4.470 -0.000 0.000 0.294 242 S C 0.565 175.160 174.600 -0.008 0.000 1.294 242 S CA 0.196 58.395 58.200 -0.002 0.000 1.055 242 S CB 0.360 63.564 63.200 0.007 0.000 0.819 242 S HN 0.170 nan 8.310 nan 0.000 0.503 243 T N 5.230 119.781 114.554 -0.006 0.000 2.779 243 T HA 0.186 4.536 4.350 -0.000 0.000 0.296 243 T C 0.042 174.741 174.700 -0.001 0.000 0.938 243 T CA -0.446 61.636 62.100 -0.029 0.000 1.119 243 T CB 0.170 69.026 68.868 -0.020 0.000 0.891 243 T HN 0.281 nan 8.240 nan 0.000 0.526 244 K N 3.775 124.174 120.400 -0.002 0.000 2.307 244 K HA 0.357 4.677 4.320 -0.000 0.000 0.263 244 K C 0.468 177.172 176.600 0.173 0.000 0.973 244 K CA -0.686 55.659 56.287 0.096 0.000 0.846 244 K CB 1.496 34.005 32.500 0.015 0.000 1.100 244 K HN 0.445 nan 8.250 nan 0.000 0.438 245 N N 0.229 119.041 118.700 0.185 0.000 2.348 245 N HA -0.009 4.731 4.740 -0.000 0.000 0.183 245 N C -0.223 175.479 175.510 0.320 0.000 1.094 245 N CA 0.029 53.219 53.050 0.234 0.000 0.885 245 N CB 0.520 39.094 38.487 0.145 0.000 1.065 245 N HN 0.268 nan 8.380 nan 0.000 0.472 246 S N 2.444 118.299 115.700 0.258 0.000 2.498 246 S HA 0.111 4.581 4.470 -0.000 0.000 0.281 246 S C 0.382 175.125 174.600 0.238 0.000 1.265 246 S CA -0.465 57.876 58.200 0.235 0.000 1.071 246 S CB 0.355 63.657 63.200 0.171 0.000 0.894 246 S HN 0.099 nan 8.310 nan 0.000 0.491 247 L N 3.643 124.959 121.223 0.155 0.000 2.605 247 L HA -0.033 4.307 4.340 -0.000 0.000 0.296 247 L C 1.121 177.998 176.870 0.012 0.000 1.255 247 L CA 0.876 55.734 54.840 0.030 0.000 0.879 247 L CB -0.558 41.465 42.059 -0.059 0.000 1.124 247 L HN 0.598 nan 8.230 nan 0.000 0.507 248 T N 2.672 117.201 114.554 -0.042 0.000 2.793 248 T HA 0.165 4.515 4.350 -0.000 0.000 0.289 248 T C 0.641 175.216 174.700 -0.208 0.000 0.956 248 T CA -0.156 61.799 62.100 -0.242 0.000 1.177 248 T CB -0.345 68.401 68.868 -0.204 0.000 0.897 248 T HN 0.808 nan 8.240 nan 0.000 0.533 249 T N 1.305 115.715 114.554 -0.239 0.000 2.868 249 T HA 0.130 4.480 4.350 -0.000 0.000 0.292 249 T C 1.730 176.314 174.700 -0.193 0.000 1.028 249 T CA -0.630 61.369 62.100 -0.168 0.000 1.059 249 T CB 0.833 69.622 68.868 -0.132 0.000 0.991 249 T HN 0.410 nan 8.240 nan 0.000 0.531 250 T N 1.314 115.760 114.554 -0.180 0.000 2.699 250 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 250 T C 1.435 176.005 174.700 -0.217 0.000 1.036 250 T CA 1.926 63.887 62.100 -0.232 0.000 1.147 250 T CB -0.629 68.108 68.868 -0.217 0.000 0.862 250 T HN 0.711 nan 8.240 nan 0.000 0.446 251 D N 0.558 120.860 120.400 -0.163 0.000 2.178 251 D HA -0.038 4.601 4.640 -0.000 0.000 0.201 251 D C 2.202 178.422 176.300 -0.133 0.000 0.980 251 D CA 0.873 54.792 54.000 -0.134 0.000 0.842 251 D CB -0.196 40.545 40.800 -0.098 0.000 0.948 251 D HN 0.526 nan 8.370 nan 0.000 0.472 252 E N 0.167 120.270 120.200 -0.163 0.000 2.028 252 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 252 E C 2.330 178.841 176.600 -0.150 0.000 0.988 252 E CA 0.398 56.694 56.400 -0.174 0.000 0.799 252 E CB -0.013 29.499 29.700 -0.312 0.000 0.755 252 E HN 0.231 nan 8.360 nan 0.000 0.447 253 I N 1.160 121.623 120.570 -0.180 0.000 2.194 253 I HA -0.375 3.795 4.170 -0.000 0.000 0.246 253 I C 2.760 178.802 176.117 -0.124 0.000 1.093 253 I CA 1.434 62.648 61.300 -0.145 0.000 1.355 253 I CB -0.352 37.514 38.000 -0.223 0.000 1.046 253 I HN 0.235 nan 8.210 nan 0.000 0.413 254 Q N 0.232 119.932 119.800 -0.167 0.000 2.124 254 Q HA -0.230 4.109 4.340 -0.000 0.000 0.202 254 Q C 2.315 178.273 176.000 -0.070 0.000 0.977 254 Q CA 2.118 57.843 55.803 -0.130 0.000 0.850 254 Q CB -0.029 28.622 28.738 -0.145 0.000 0.901 254 Q HN 0.337 nan 8.270 nan 0.000 0.429 255 S N -0.442 115.218 115.700 -0.067 0.000 2.406 255 S HA -0.030 4.440 4.470 -0.000 0.000 0.228 255 S C 1.804 176.390 174.600 -0.024 0.000 1.020 255 S CA 0.618 58.793 58.200 -0.041 0.000 0.965 255 S CB -0.138 63.039 63.200 -0.038 0.000 0.798 255 S HN 0.407 nan 8.310 nan 0.000 0.488 256 I N 1.676 122.234 120.570 -0.019 0.000 2.099 256 I HA -0.195 3.975 4.170 -0.000 0.000 0.239 256 I C 2.196 178.318 176.117 0.007 0.000 1.066 256 I CA 1.539 62.842 61.300 0.004 0.000 1.324 256 I CB -1.213 36.797 38.000 0.017 0.000 1.037 256 I HN 0.336 nan 8.210 nan 0.000 0.401 257 I N 0.576 121.157 120.570 0.019 0.000 2.286 257 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 257 I C 2.733 178.851 176.117 0.001 0.000 1.115 257 I CA 1.123 62.442 61.300 0.031 0.000 1.392 257 I CB -0.352 37.694 38.000 0.078 0.000 1.065 257 I HN 0.164 nan 8.210 nan 0.000 0.418 258 S N 0.703 116.395 115.700 -0.012 0.000 2.370 258 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 258 S C 1.831 176.410 174.600 -0.034 0.000 1.033 258 S CA 1.346 59.532 58.200 -0.024 0.000 1.011 258 S CB -0.354 62.831 63.200 -0.027 0.000 0.852 258 S HN 0.448 nan 8.310 nan 0.000 0.457 259 N N 0.713 119.391 118.700 -0.035 0.000 2.084 259 N HA -0.109 4.631 4.740 -0.000 0.000 0.190 259 N C 2.108 177.564 175.510 -0.091 0.000 1.030 259 N CA 1.835 54.849 53.050 -0.060 0.000 0.849 259 N CB -0.784 37.677 38.487 -0.043 0.000 1.012 259 N HN 0.539 nan 8.380 nan 0.000 0.423 260 T N 0.729 115.249 114.554 -0.057 0.000 2.867 260 T HA 0.000 4.350 4.350 -0.000 0.000 0.268 260 T C 2.147 176.818 174.700 -0.048 0.000 1.057 260 T CA 0.567 62.635 62.100 -0.055 0.000 1.136 260 T CB -0.101 68.758 68.868 -0.013 0.000 0.874 260 T HN 0.092 nan 8.240 nan 0.000 0.466 261 L N 0.175 121.375 121.223 -0.039 0.000 2.072 261 L HA 0.078 4.418 4.340 -0.000 0.000 0.205 261 L C 2.982 179.827 176.870 -0.040 0.000 1.079 261 L CA 1.568 56.387 54.840 -0.035 0.000 0.752 261 L CB -0.448 41.590 42.059 -0.037 0.000 0.906 261 L HN 0.273 nan 8.230 nan 0.000 0.436 262 K N 0.257 120.626 120.400 -0.053 0.000 2.217 262 K HA -0.105 4.214 4.320 -0.000 0.000 0.202 262 K C 1.788 178.341 176.600 -0.078 0.000 1.051 262 K CA 1.157 57.412 56.287 -0.054 0.000 0.952 262 K CB 0.105 32.575 32.500 -0.051 0.000 0.736 262 K HN 0.269 nan 8.250 nan 0.000 0.453 263 A N 0.833 123.569 122.820 -0.140 0.000 2.195 263 A HA 0.050 4.370 4.320 -0.000 0.000 0.210 263 A C 0.641 178.163 177.584 -0.104 0.000 1.165 263 A CA 0.211 52.107 52.037 -0.236 0.000 0.806 263 A CB -0.175 18.446 19.000 -0.632 0.000 0.847 263 A HN 0.476 nan 8.150 nan 0.000 0.482 264 R N -0.521 119.949 120.500 -0.050 0.000 3.022 264 R HA -0.137 4.203 4.340 -0.000 0.000 0.248 264 R C -2.543 173.779 176.300 0.036 0.000 0.874 264 R CA 0.359 56.462 56.100 0.004 0.000 0.626 264 R CB -1.580 28.732 30.300 0.020 0.000 1.255 264 R HN 0.252 nan 8.270 nan 0.000 0.496 265 P HA -0.019 nan 4.420 nan 0.000 0.268 265 P C -0.555 176.805 177.300 0.099 0.000 1.205 265 P CA -0.340 62.815 63.100 0.091 0.000 0.771 265 P CB 0.570 32.318 31.700 0.079 0.000 0.858 266 L N 5.033 126.329 121.223 0.121 0.000 2.260 266 L HA 0.316 4.656 4.340 -0.000 0.000 0.289 266 L C -0.993 175.960 176.870 0.138 0.000 1.057 266 L CA -0.199 54.714 54.840 0.122 0.000 0.811 266 L CB 0.475 42.604 42.059 0.118 0.000 1.184 266 L HN 0.032 nan 8.230 nan 0.000 0.429 267 V N 5.867 125.862 119.914 0.136 0.000 2.311 267 V HA 0.313 4.433 4.120 -0.000 0.000 0.275 267 V C 0.195 176.381 176.094 0.153 0.000 1.022 267 V CA -0.520 61.843 62.300 0.106 0.000 0.830 267 V CB 0.868 32.747 31.823 0.093 0.000 1.012 267 V HN 0.857 nan 8.190 nan 0.000 0.452 268 Q N 3.713 123.572 119.800 0.097 0.000 2.293 268 Q HA 0.185 4.525 4.340 -0.000 0.000 0.263 268 Q C -0.850 175.162 176.000 0.019 0.000 1.002 268 Q CA -0.191 55.684 55.803 0.119 0.000 0.910 268 Q CB 0.361 29.191 28.738 0.153 0.000 1.185 268 Q HN 0.778 nan 8.270 nan 0.000 0.401 269 H N 4.107 123.189 119.070 0.020 0.000 2.556 269 H HA 0.341 4.897 4.556 -0.000 0.000 0.310 269 H C -0.744 174.595 175.328 0.019 0.000 1.057 269 H CA -0.316 55.736 56.048 0.006 0.000 1.264 269 H CB 0.684 30.453 29.762 0.011 0.000 1.404 269 H HN 0.561 nan 8.280 nan 0.000 0.462 270 I N 3.757 124.371 120.570 0.074 0.000 2.388 270 I HA 0.255 4.424 4.170 -0.000 0.000 0.281 270 I C 0.251 176.406 176.117 0.063 0.000 1.046 270 I CA -0.091 61.254 61.300 0.074 0.000 1.187 270 I CB 0.653 38.689 38.000 0.060 0.000 1.351 270 I HN 0.524 nan 8.210 nan 0.000 0.472 271 T N 3.345 117.956 114.554 0.094 0.000 2.754 271 T HA 0.409 4.759 4.350 -0.000 0.000 0.296 271 T C -0.400 174.368 174.700 0.113 0.000 1.205 271 T CA -0.724 61.435 62.100 0.098 0.000 1.009 271 T CB 1.110 70.056 68.868 0.130 0.000 1.368 271 T HN 0.559 nan 8.240 nan 0.000 0.509 275 H N 1.545 120.671 119.070 0.095 0.000 2.551 275 H HA 0.241 4.797 4.556 -0.000 0.000 0.266 275 H C 2.166 177.541 175.328 0.078 0.000 0.977 275 H CA 1.077 57.200 56.048 0.125 0.000 1.163 275 H CB 0.138 29.956 29.762 0.093 0.000 1.381 275 H HN 0.432 nan 8.280 nan 0.000 0.581 276 Q N 0.978 120.854 119.800 0.128 0.000 1.935 276 Q HA -0.223 4.117 4.340 -0.000 0.000 0.212 276 Q C 2.002 178.020 176.000 0.031 0.000 1.008 276 Q CA 1.676 57.514 55.803 0.058 0.000 0.868 276 Q CB -0.640 28.122 28.738 0.040 0.000 0.946 276 Q HN 0.422 nan 8.270 nan 0.000 0.418 277 N N 0.117 118.851 118.700 0.055 0.000 2.043 277 N HA -0.155 4.584 4.740 -0.000 0.000 0.193 277 N C 1.522 177.118 175.510 0.143 0.000 1.037 277 N CA 1.054 54.142 53.050 0.064 0.000 0.851 277 N CB -0.440 38.079 38.487 0.052 0.000 1.027 277 N HN 0.129 nan 8.380 nan 0.000 0.422 278 F N 1.032 120.982 119.950 0.000 0.000 2.069 278 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 278 F C 2.253 178.070 175.800 0.028 0.000 1.113 278 F CA 1.754 59.771 58.000 0.029 0.000 1.214 278 F CB -1.111 37.931 39.000 0.071 0.000 0.978 278 F HN 0.112 nan 8.300 nan 0.000 0.474 279 G N -0.655 108.128 108.800 -0.028 0.000 2.442 279 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 279 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 279 G C 1.808 176.545 174.900 -0.273 0.000 1.141 279 G CA 0.915 45.907 45.100 -0.180 0.000 0.763 279 G HN 0.622 nan 8.290 nan 0.000 0.554 280 A N 0.764 123.425 122.820 -0.265 0.000 2.015 280 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 280 A C 2.127 179.653 177.584 -0.097 0.000 1.163 280 A CA 1.596 53.488 52.037 -0.242 0.000 0.646 280 A CB -0.414 18.487 19.000 -0.165 0.000 0.806 280 A HN 0.498 nan 8.150 nan 0.000 0.448 281 N N -0.399 118.277 118.700 -0.040 0.000 2.171 281 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 281 N C 1.515 177.019 175.510 -0.009 0.000 1.021 281 N CA 1.122 54.180 53.050 0.013 0.000 0.854 281 N CB -0.101 38.451 38.487 0.108 0.000 0.994 281 N HN 0.228 nan 8.380 nan 0.000 0.426 282 V N 0.848 120.709 119.914 -0.089 0.000 2.343 282 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 282 V C 2.122 178.204 176.094 -0.020 0.000 1.051 282 V CA 1.744 63.989 62.300 -0.092 0.000 1.036 282 V CB -0.768 30.928 31.823 -0.211 0.000 0.654 282 V HN 0.397 nan 8.190 nan 0.000 0.451 283 T N 0.237 114.783 114.554 -0.013 0.000 2.737 283 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 283 T C 1.892 176.617 174.700 0.041 0.000 1.038 283 T CA 1.271 63.396 62.100 0.042 0.000 1.144 283 T CB -0.329 68.591 68.868 0.086 0.000 0.866 283 T HN 0.177 nan 8.240 nan 0.000 0.434 284 L N 1.408 122.646 121.223 0.026 0.000 2.131 284 L HA 0.128 4.468 4.340 -0.000 0.000 0.210 284 L C 2.601 179.519 176.870 0.080 0.000 1.092 284 L CA 1.407 56.273 54.840 0.042 0.000 0.759 284 L CB -1.375 40.698 42.059 0.023 0.000 0.903 284 L HN 0.252 nan 8.230 nan 0.000 0.435 285 A N -1.189 121.683 122.820 0.086 0.000 1.969 285 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 285 A C 1.982 179.648 177.584 0.137 0.000 1.169 285 A CA 0.957 53.094 52.037 0.167 0.000 0.635 285 A CB -0.562 18.515 19.000 0.127 0.000 0.810 285 A HN 0.415 nan 8.150 nan 0.000 0.445 286 L N -0.315 120.947 121.223 0.066 0.000 2.660 286 L HA 0.186 4.526 4.340 -0.000 0.000 0.238 286 L C 1.404 178.290 176.870 0.026 0.000 1.161 286 L CA 0.332 55.190 54.840 0.030 0.000 0.937 286 L CB -0.626 41.448 42.059 0.025 0.000 1.122 286 L HN 0.544 nan 8.230 nan 0.000 0.435 287 G N 0.680 109.511 108.800 0.052 0.000 2.273 287 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.280 287 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.280 287 G C 0.047 174.969 174.900 0.037 0.000 1.047 287 G CA 0.493 45.619 45.100 0.044 0.000 0.869 287 G HN 0.485 nan 8.290 nan 0.000 0.502 288 S N -1.130 114.598 115.700 0.047 0.000 2.541 288 S HA 0.780 5.250 4.470 -0.000 0.000 0.280 288 S C -0.232 174.404 174.600 0.061 0.000 1.112 288 S CA -0.077 58.153 58.200 0.051 0.000 0.925 288 S CB 2.066 65.298 63.200 0.052 0.000 1.067 288 S HN 1.351 nan 8.310 nan 0.000 0.479 289 S N 2.433 118.171 115.700 0.064 0.000 2.499 289 S HA 0.565 5.035 4.470 -0.000 0.000 0.275 289 S C -2.625 172.025 174.600 0.083 0.000 1.257 289 S CA -1.075 57.163 58.200 0.063 0.000 1.050 289 S CB 0.150 63.385 63.200 0.057 0.000 0.937 289 S HN 0.643 nan 8.310 nan 0.000 0.490 290 P HA 0.554 nan 4.420 nan 0.000 0.296 290 P C -0.961 176.389 177.300 0.084 0.000 1.301 290 P CA -0.709 62.449 63.100 0.097 0.000 0.862 290 P CB 1.096 32.781 31.700 -0.026 0.000 1.046 291 I N 3.850 124.502 120.570 0.138 0.000 2.545 291 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 291 I C 0.974 177.168 176.117 0.129 0.000 1.040 291 I CA -0.958 60.407 61.300 0.108 0.000 1.068 291 I CB 2.448 40.513 38.000 0.109 0.000 1.251 291 I HN 0.149 nan 8.210 nan 0.000 0.424 292 M N 3.911 123.563 119.600 0.087 0.000 2.756 292 M HA 0.132 4.612 4.480 -0.000 0.000 0.320 292 M C 0.529 176.879 176.300 0.084 0.000 1.245 292 M CA -0.012 55.344 55.300 0.092 0.000 0.972 292 M CB -0.344 32.289 32.600 0.054 0.000 1.327 292 M HN 0.458 nan 8.290 nan 0.000 0.505 293 S N 1.745 117.497 115.700 0.088 0.000 2.465 293 S HA 0.113 4.583 4.470 -0.000 0.000 0.280 293 S C 0.609 175.257 174.600 0.080 0.000 1.232 293 S CA 0.106 58.352 58.200 0.076 0.000 1.066 293 S CB 0.334 63.580 63.200 0.077 0.000 0.929 293 S HN 0.502 nan 8.310 nan 0.000 0.494 294 E N 4.358 124.598 120.200 0.066 0.000 2.499 294 E HA 0.265 4.615 4.350 -0.000 0.000 0.207 294 E C -0.634 175.998 176.600 0.053 0.000 1.034 294 E CA -0.075 56.363 56.400 0.064 0.000 1.098 294 E CB 0.362 30.097 29.700 0.059 0.000 1.148 294 E HN 0.645 nan 8.360 nan 0.000 0.447 295 I N 1.676 122.277 120.570 0.051 0.000 2.315 295 I HA 0.036 4.206 4.170 -0.000 0.000 0.291 295 I C 1.501 177.640 176.117 0.037 0.000 1.006 295 I CA -0.145 61.179 61.300 0.039 0.000 1.265 295 I CB 1.361 39.382 38.000 0.035 0.000 1.387 295 I HN 0.084 nan 8.210 nan 0.000 0.475 296 Q N 2.733 122.549 119.800 0.027 0.000 2.084 296 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 296 Q C 2.087 178.094 176.000 0.012 0.000 0.978 296 Q CA 2.082 57.897 55.803 0.019 0.000 0.844 296 Q CB 0.166 28.907 28.738 0.006 0.000 0.898 296 Q HN 0.890 nan 8.270 nan 0.000 0.426 297 S N 0.619 116.323 115.700 0.008 0.000 2.382 297 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 297 S C 1.616 176.218 174.600 0.003 0.000 1.027 297 S CA 0.967 59.168 58.200 0.001 0.000 0.991 297 S CB -0.264 62.937 63.200 0.001 0.000 0.823 297 S HN 0.337 nan 8.310 nan 0.000 0.469 298 E N 0.722 120.930 120.200 0.014 0.000 2.150 298 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 298 E C 1.968 178.577 176.600 0.015 0.000 0.985 298 E CA 0.682 57.092 56.400 0.017 0.000 0.814 298 E CB -0.268 29.451 29.700 0.031 0.000 0.752 298 E HN 0.305 nan 8.360 nan 0.000 0.466 299 V N 1.990 121.919 119.914 0.027 0.000 2.370 299 V HA -0.311 3.809 4.120 -0.000 0.000 0.252 299 V C 1.980 178.056 176.094 -0.029 0.000 1.068 299 V CA 1.705 64.030 62.300 0.041 0.000 1.061 299 V CB -0.361 31.502 31.823 0.067 0.000 0.656 299 V HN 0.328 nan 8.190 nan 0.000 0.455 300 N N -0.250 118.423 118.700 -0.044 0.000 2.207 300 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 300 N C 1.513 176.967 175.510 -0.094 0.000 1.020 300 N CA 1.451 54.451 53.050 -0.084 0.000 0.858 300 N CB -0.278 38.172 38.487 -0.062 0.000 0.991 300 N HN 0.518 nan 8.380 nan 0.000 0.427 301 D N 0.802 121.168 120.400 -0.055 0.000 2.144 301 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 301 D C 1.977 178.247 176.300 -0.051 0.000 0.984 301 D CA 0.387 54.360 54.000 -0.045 0.000 0.834 301 D CB -0.146 40.641 40.800 -0.021 0.000 0.955 301 D HN 0.113 nan 8.370 nan 0.000 0.465 302 L N 1.202 122.399 121.223 -0.044 0.000 2.017 302 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 302 L C 2.269 179.083 176.870 -0.093 0.000 1.073 302 L CA 1.306 56.135 54.840 -0.019 0.000 0.745 302 L CB -1.127 40.961 42.059 0.049 0.000 0.894 302 L HN -0.042 nan 8.230 nan 0.000 0.432 303 A N -1.512 121.130 122.820 -0.296 0.000 2.209 303 A HA 0.133 4.453 4.320 -0.000 0.000 0.212 303 A C 2.263 179.672 177.584 -0.292 0.000 1.158 303 A CA 1.115 52.798 52.037 -0.590 0.000 0.742 303 A CB -0.632 17.642 19.000 -1.210 0.000 0.790 303 A HN 0.404 nan 8.150 nan 0.000 0.472 304 A N -0.239 122.481 122.820 -0.168 0.000 2.021 304 A HA 0.294 4.614 4.320 -0.000 0.000 0.216 304 A C 0.928 178.472 177.584 -0.067 0.000 1.163 304 A CA -0.033 51.940 52.037 -0.106 0.000 0.676 304 A CB -0.314 18.639 19.000 -0.078 0.000 0.818 304 A HN 0.432 nan 8.150 nan 0.000 0.453 305 I N 1.663 122.207 120.570 -0.044 0.000 2.775 305 I HA 0.029 4.199 4.170 -0.000 0.000 0.290 305 I C -2.055 174.062 176.117 -0.000 0.000 1.203 305 I CA -1.337 59.959 61.300 -0.007 0.000 1.433 305 I CB 0.529 38.542 38.000 0.022 0.000 1.354 305 I HN 0.116 nan 8.210 nan 0.000 0.579 306 P HA -0.007 nan 4.420 nan 0.000 0.267 306 P C -0.531 176.805 177.300 0.060 0.000 1.200 306 P CA 0.169 63.253 63.100 -0.027 0.000 0.772 306 P CB 0.154 31.862 31.700 0.015 0.000 0.855 307 H N -1.470 117.622 119.070 0.035 0.000 2.594 307 H HA -0.150 4.406 4.556 -0.000 0.000 0.316 307 H C 0.438 175.810 175.328 0.073 0.000 1.107 307 H CA 0.426 56.503 56.048 0.049 0.000 1.133 307 H CB -1.737 28.049 29.762 0.040 0.000 1.459 307 H HN 0.502 nan 8.280 nan 0.000 0.411 308 A N 0.359 123.270 122.820 0.150 0.000 2.287 308 A HA 0.710 5.029 4.320 -0.000 0.000 0.273 308 A C 0.597 178.347 177.584 0.276 0.000 1.091 308 A CA 0.413 52.571 52.037 0.201 0.000 0.817 308 A CB 0.996 20.097 19.000 0.168 0.000 1.069 308 A HN 0.317 nan 8.150 nan 0.000 0.492 309 T N 0.650 115.386 114.554 0.304 0.000 3.097 309 T HA 0.412 4.762 4.350 -0.000 0.000 0.332 309 T C -1.455 173.176 174.700 -0.116 0.000 1.269 309 T CA -0.352 61.826 62.100 0.130 0.000 1.076 309 T CB 1.098 70.006 68.868 0.066 0.000 1.209 309 T HN 0.682 nan 8.240 nan 0.000 0.474 310 L N 4.065 125.028 121.223 -0.433 0.000 2.287 310 L HA 0.677 5.017 4.340 -0.000 0.000 0.287 310 L C -0.981 175.710 176.870 -0.297 0.000 1.022 310 L CA -0.699 53.790 54.840 -0.585 0.000 0.814 310 L CB 0.900 42.331 42.059 -1.048 0.000 1.217 310 L HN 0.590 nan 8.230 nan 0.000 0.420 311 L N 6.796 127.841 121.223 -0.297 0.000 2.307 311 L HA 0.518 4.858 4.340 -0.000 0.000 0.284 311 L C -1.582 175.165 176.870 -0.205 0.000 1.023 311 L CA -0.560 54.105 54.840 -0.291 0.000 0.810 311 L CB 1.611 43.362 42.059 -0.514 0.000 1.231 311 L HN 0.696 nan 8.230 nan 0.000 0.423 312 L N 5.121 126.255 121.223 -0.149 0.000 2.372 312 L HA 0.423 4.763 4.340 -0.000 0.000 0.274 312 L C -0.917 175.851 176.870 -0.169 0.000 0.988 312 L CA -0.412 54.385 54.840 -0.071 0.000 0.833 312 L CB 1.932 44.037 42.059 0.077 0.000 1.236 312 L HN 0.658 nan 8.230 nan 0.000 0.410 313 N N 1.136 119.761 118.700 -0.126 0.000 2.456 313 N HA 0.484 5.223 4.740 -0.000 0.000 0.296 313 N C -0.644 174.802 175.510 -0.107 0.000 1.102 313 N CA -0.273 52.671 53.050 -0.176 0.000 0.924 313 N CB 1.869 40.297 38.487 -0.098 0.000 1.186 313 N HN 0.395 nan 8.380 nan 0.000 0.492 314 T N -0.048 114.407 114.554 -0.165 0.000 2.874 314 T HA 0.481 4.831 4.350 -0.000 0.000 0.281 314 T C 1.135 175.816 174.700 -0.032 0.000 0.994 314 T CA 0.363 62.424 62.100 -0.065 0.000 1.015 314 T CB 0.942 69.756 68.868 -0.089 0.000 1.028 314 T HN 0.712 nan 8.240 nan 0.000 0.523 315 G N 1.109 109.908 108.800 -0.001 0.000 2.148 315 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 315 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 315 G C 0.388 175.308 174.900 0.033 0.000 0.981 315 G CA 0.425 45.534 45.100 0.016 0.000 0.670 315 G HN 0.924 nan 8.290 nan 0.000 0.528 316 S N -1.391 114.331 115.700 0.036 0.000 2.600 316 S HA 0.443 4.913 4.470 -0.000 0.000 0.265 316 S C 1.598 176.226 174.600 0.046 0.000 1.325 316 S CA 0.508 58.737 58.200 0.048 0.000 1.002 316 S CB 1.649 64.882 63.200 0.055 0.000 0.921 316 S HN 1.379 nan 8.310 nan 0.000 0.554 317 V N 2.645 122.587 119.914 0.047 0.000 3.506 317 V HA 0.438 4.558 4.120 -0.000 0.000 0.263 317 V C 0.887 177.007 176.094 0.044 0.000 1.203 317 V CA 0.882 63.206 62.300 0.041 0.000 1.133 317 V CB -0.810 31.034 31.823 0.035 0.000 0.802 317 V HN 0.922 nan 8.190 nan 0.000 0.459 318 A N 1.861 124.713 122.820 0.053 0.000 2.407 318 A HA 0.626 4.946 4.320 -0.000 0.000 0.248 318 A C -2.381 175.241 177.584 0.063 0.000 1.082 318 A CA -1.059 51.012 52.037 0.057 0.000 0.785 318 A CB -0.242 18.797 19.000 0.065 0.000 1.020 318 A HN 0.454 nan 8.150 nan 0.000 0.489 319 P HA 0.258 nan 4.420 nan 0.000 0.276 319 P C -2.108 175.240 177.300 0.079 0.000 1.230 319 P CA -1.400 61.735 63.100 0.058 0.000 0.776 319 P CB 0.314 32.037 31.700 0.040 0.000 0.888 320 P HA -0.263 nan 4.420 nan 0.000 0.220 320 P C 1.418 178.769 177.300 0.085 0.000 1.155 320 P CA 1.562 64.771 63.100 0.182 0.000 0.880 320 P CB -0.031 31.792 31.700 0.205 0.000 0.790 321 E N -0.906 119.307 120.200 0.022 0.000 2.160 321 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 321 E C 1.796 178.350 176.600 -0.076 0.000 0.991 321 E CA 1.465 57.830 56.400 -0.058 0.000 0.810 321 E CB -0.289 29.391 29.700 -0.033 0.000 0.742 321 E HN 0.229 nan 8.360 nan 0.000 0.466 322 M N -0.788 118.804 119.600 -0.014 0.000 2.357 322 M HA 0.027 4.507 4.480 -0.000 0.000 0.266 322 M C 1.741 178.056 176.300 0.025 0.000 1.095 322 M CA 1.066 56.367 55.300 0.002 0.000 1.156 322 M CB -0.099 32.518 32.600 0.028 0.000 1.365 322 M HN -0.001 nan 8.290 nan 0.000 0.447 323 L N 1.080 122.345 121.223 0.071 0.000 1.989 323 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 323 L C 3.183 180.106 176.870 0.088 0.000 1.071 323 L CA 2.192 57.117 54.840 0.143 0.000 0.749 323 L CB -1.686 40.524 42.059 0.251 0.000 0.890 323 L HN 0.556 nan 8.230 nan 0.000 0.431 324 K N 0.473 120.772 120.400 -0.168 0.000 2.020 324 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 324 K C 2.265 178.716 176.600 -0.248 0.000 1.050 324 K CA 1.858 57.778 56.287 -0.611 0.000 0.929 324 K CB -1.557 30.169 32.500 -1.289 0.000 0.714 324 K HN 0.444 nan 8.250 nan 0.000 0.443 325 A N 0.848 123.569 122.820 -0.164 0.000 1.927 325 A HA 0.095 4.415 4.320 -0.000 0.000 0.220 325 A C 2.757 180.342 177.584 0.002 0.000 1.185 325 A CA 2.822 54.812 52.037 -0.078 0.000 0.639 325 A CB -0.855 18.117 19.000 -0.047 0.000 0.820 325 A HN 1.035 nan 8.150 nan 0.000 0.451 326 A N -0.429 122.429 122.820 0.063 0.000 1.861 326 A HA 0.124 4.444 4.320 -0.000 0.000 0.212 326 A C 2.064 179.790 177.584 0.237 0.000 1.199 326 A CA 1.018 53.160 52.037 0.177 0.000 0.613 326 A CB -0.589 18.523 19.000 0.186 0.000 0.846 326 A HN 0.426 nan 8.150 nan 0.000 0.446 327 I N -0.314 120.364 120.570 0.180 0.000 2.181 327 I HA -0.366 3.804 4.170 -0.000 0.000 0.247 327 I C 2.725 178.916 176.117 0.123 0.000 1.081 327 I CA 2.176 63.583 61.300 0.178 0.000 1.340 327 I CB -0.293 37.828 38.000 0.202 0.000 1.036 327 I HN 0.404 nan 8.210 nan 0.000 0.417 328 R N 1.481 122.016 120.500 0.058 0.000 2.062 328 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 328 R C 2.344 178.675 176.300 0.051 0.000 1.136 328 R CA 1.774 57.885 56.100 0.018 0.000 0.948 328 R CB -0.695 29.573 30.300 -0.053 0.000 0.845 328 R HN 0.294 nan 8.270 nan 0.000 0.430 329 A N -0.404 122.451 122.820 0.060 0.000 1.958 329 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 329 A C 2.055 179.622 177.584 -0.027 0.000 1.178 329 A CA 1.787 53.828 52.037 0.006 0.000 0.642 329 A CB -0.919 18.076 19.000 -0.007 0.000 0.816 329 A HN 0.572 nan 8.150 nan 0.000 0.453 330 Y N -0.543 119.775 120.300 0.028 0.000 2.314 330 Y HA -0.054 4.496 4.550 -0.000 0.000 0.294 330 Y C 2.335 178.262 175.900 0.045 0.000 1.119 330 Y CA 1.425 59.551 58.100 0.043 0.000 1.179 330 Y CB -0.435 38.066 38.460 0.068 0.000 1.025 330 Y HN 0.411 nan 8.280 nan 0.000 0.541 331 N N -0.117 118.694 118.700 0.184 0.000 2.223 331 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 331 N C 1.010 176.579 175.510 0.098 0.000 1.016 331 N CA 1.046 54.178 53.050 0.136 0.000 0.863 331 N CB -0.054 38.497 38.487 0.106 0.000 0.983 331 N HN 0.263 nan 8.380 nan 0.000 0.429 332 D N 0.265 120.698 120.400 0.056 0.000 2.117 332 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 332 D C 1.608 177.914 176.300 0.011 0.000 0.987 332 D CA 0.890 54.905 54.000 0.025 0.000 0.829 332 D CB -0.116 40.679 40.800 -0.009 0.000 0.961 332 D HN 0.052 nan 8.370 nan 0.000 0.460 333 V N 0.164 120.071 119.914 -0.011 0.000 3.623 333 V HA 0.026 4.146 4.120 -0.000 0.000 0.271 333 V C 0.623 176.714 176.094 -0.005 0.000 1.248 333 V CA 0.124 62.406 62.300 -0.031 0.000 1.156 333 V CB -0.804 30.965 31.823 -0.090 0.000 0.870 333 V HN 0.274 nan 8.190 nan 0.000 0.453 334 K N 0.022 120.441 120.400 0.033 0.000 3.117 334 K HA -0.182 4.138 4.320 -0.000 0.000 0.269 334 K C 0.278 176.903 176.600 0.043 0.000 1.098 334 K CA 0.419 56.724 56.287 0.032 0.000 0.785 334 K CB -0.658 31.834 32.500 -0.013 0.000 1.242 334 K HN 0.383 nan 8.250 nan 0.000 0.491 335 R N -0.018 120.547 120.500 0.109 0.000 2.573 335 R HA 0.373 4.713 4.340 -0.000 0.000 0.272 335 R C -2.532 173.905 176.300 0.228 0.000 1.009 335 R CA -2.152 54.049 56.100 0.169 0.000 1.059 335 R CB 0.676 31.118 30.300 0.237 0.000 1.112 335 R HN -0.120 nan 8.270 nan 0.000 0.517 336 P HA 0.317 nan 4.420 nan 0.000 0.286 336 P C -0.477 176.898 177.300 0.126 0.000 1.269 336 P CA -0.063 63.139 63.100 0.170 0.000 0.787 336 P CB 0.562 32.338 31.700 0.128 0.000 0.920 337 I N 2.771 123.444 120.570 0.172 0.000 2.377 337 I HA 0.329 4.498 4.170 -0.000 0.000 0.293 337 I C -0.236 175.988 176.117 0.180 0.000 0.987 337 I CA -1.089 60.299 61.300 0.146 0.000 1.185 337 I CB 1.904 40.102 38.000 0.331 0.000 1.341 337 I HN -0.042 nan 8.210 nan 0.000 0.455 338 V N 6.553 126.496 119.914 0.049 0.000 2.370 338 V HA 0.313 4.432 4.120 -0.000 0.000 0.283 338 V C -0.636 175.425 176.094 -0.056 0.000 1.023 338 V CA -0.547 61.758 62.300 0.009 0.000 0.857 338 V CB 1.553 33.344 31.823 -0.054 0.000 0.985 338 V HN 0.416 nan 8.190 nan 0.000 0.443 339 F N 4.506 124.261 119.950 -0.326 0.000 2.411 339 F HA 0.596 5.123 4.527 -0.000 0.000 0.352 339 F C -0.200 175.402 175.800 -0.331 0.000 1.123 339 F CA -0.937 56.749 58.000 -0.523 0.000 1.044 339 F CB 1.416 39.757 39.000 -1.098 0.000 1.135 339 F HN 0.492 nan 8.300 nan 0.000 0.461 340 D N 8.380 128.283 120.400 -0.828 0.000 2.438 340 D HA 0.344 4.984 4.640 -0.000 0.000 0.257 340 D C -2.919 172.889 176.300 -0.820 0.000 1.148 340 D CA -2.396 51.211 54.000 -0.655 0.000 0.902 340 D CB 1.460 42.013 40.800 -0.411 0.000 1.062 340 D HN 0.143 nan 8.370 nan 0.000 0.518 341 P HA 0.131 nan 4.420 nan 0.000 0.280 341 P C -0.463 176.700 177.300 -0.227 0.000 1.386 341 P CA -0.472 62.288 63.100 -0.567 0.000 0.899 341 P CB 0.825 32.387 31.700 -0.230 0.000 1.098 342 V N 2.440 122.242 119.914 -0.187 0.000 2.364 342 V HA 0.679 4.798 4.120 -0.000 0.000 0.272 342 V C 1.424 177.505 176.094 -0.022 0.000 1.036 342 V CA 0.376 62.626 62.300 -0.084 0.000 0.880 342 V CB 0.228 32.008 31.823 -0.072 0.000 0.991 342 V HN 0.829 nan 8.190 nan 0.000 0.460 343 G N 3.675 112.487 108.800 0.020 0.000 2.436 343 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.204 343 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.204 343 G C 0.155 175.110 174.900 0.092 0.000 1.026 343 G CA -0.141 44.981 45.100 0.038 0.000 0.658 343 G HN 0.833 nan 8.290 nan 0.000 0.499 344 Y N 2.881 123.163 120.300 -0.030 0.000 2.384 344 Y HA 0.213 4.763 4.550 -0.000 0.000 0.435 344 Y C 0.866 176.766 175.900 0.000 0.000 1.313 344 Y CA 2.085 60.178 58.100 -0.012 0.000 1.842 344 Y CB -0.969 37.480 38.460 -0.017 0.000 1.283 344 Y HN 1.904 nan 8.280 nan 0.000 0.397 348 E N 1.555 121.747 120.200 -0.013 0.000 2.164 348 E HA -0.209 4.141 4.350 -0.000 0.000 0.206 348 E C 1.856 178.434 176.600 -0.037 0.000 1.032 348 E CA 2.554 58.941 56.400 -0.021 0.000 0.832 348 E CB -0.517 29.178 29.700 -0.009 0.000 0.742 348 E HN 0.835 nan 8.360 nan 0.000 0.460 349 T N 0.218 114.756 114.554 -0.028 0.000 2.788 349 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 349 T C 1.997 176.667 174.700 -0.050 0.000 1.044 349 T CA 1.303 63.386 62.100 -0.029 0.000 1.139 349 T CB -0.101 68.759 68.868 -0.013 0.000 0.867 349 T HN 0.149 nan 8.240 nan 0.000 0.454 350 R N 0.012 120.474 120.500 -0.064 0.000 2.075 350 R HA 0.132 4.472 4.340 -0.000 0.000 0.226 350 R C 2.422 178.601 176.300 -0.203 0.000 1.114 350 R CA 0.657 56.699 56.100 -0.096 0.000 0.972 350 R CB -0.528 29.730 30.300 -0.071 0.000 0.869 350 R HN 0.237 nan 8.270 nan 0.000 0.437 351 L N 1.001 122.081 121.223 -0.239 0.000 2.021 351 L HA -0.250 4.089 4.340 -0.000 0.000 0.215 351 L C 2.009 178.688 176.870 -0.317 0.000 1.074 351 L CA 1.728 56.322 54.840 -0.410 0.000 0.760 351 L CB -0.504 41.430 42.059 -0.208 0.000 0.889 351 L HN 0.200 nan 8.230 nan 0.000 0.433 352 L N -0.872 120.252 121.223 -0.164 0.000 1.989 352 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 352 L C 2.582 179.384 176.870 -0.113 0.000 1.071 352 L CA 2.152 56.928 54.840 -0.107 0.000 0.749 352 L CB -1.136 40.890 42.059 -0.056 0.000 0.890 352 L HN 0.482 nan 8.230 nan 0.000 0.431 353 L N 0.413 121.577 121.223 -0.099 0.000 2.046 353 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 353 L C 2.193 179.010 176.870 -0.088 0.000 1.077 353 L CA 1.686 56.488 54.840 -0.063 0.000 0.747 353 L CB -0.922 41.124 42.059 -0.021 0.000 0.896 353 L HN 0.268 nan 8.230 nan 0.000 0.432 354 N N 0.470 119.092 118.700 -0.129 0.000 2.058 354 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 354 N C 1.642 177.088 175.510 -0.106 0.000 1.037 354 N CA 1.988 55.003 53.050 -0.058 0.000 0.848 354 N CB -0.704 37.661 38.487 -0.203 0.000 1.021 354 N HN 0.542 nan 8.380 nan 0.000 0.422 355 N N 0.427 119.033 118.700 -0.156 0.000 2.205 355 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 355 N C 1.615 177.027 175.510 -0.163 0.000 1.015 355 N CA 0.807 53.807 53.050 -0.084 0.000 0.862 355 N CB 0.010 38.468 38.487 -0.049 0.000 0.986 355 N HN 0.296 nan 8.380 nan 0.000 0.429 356 K N 1.099 121.362 120.400 -0.230 0.000 2.057 356 K HA -0.032 4.287 4.320 -0.000 0.000 0.206 356 K C 1.855 177.901 176.600 -0.923 0.000 1.050 356 K CA 0.748 56.792 56.287 -0.404 0.000 0.935 356 K CB 0.044 32.396 32.500 -0.247 0.000 0.715 356 K HN 0.124 nan 8.250 nan 0.000 0.439 357 L N 0.846 121.677 121.223 -0.654 0.000 2.093 357 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 357 L C 2.087 178.724 176.870 -0.387 0.000 1.085 357 L CA 0.861 55.337 54.840 -0.607 0.000 0.755 357 L CB -0.272 41.691 42.059 -0.159 0.000 0.904 357 L HN 0.210 nan 8.230 nan 0.000 0.435 358 L N -0.247 120.796 121.223 -0.300 0.000 2.633 358 L HA -0.108 4.232 4.340 -0.000 0.000 0.235 358 L C 1.959 178.778 176.870 -0.085 0.000 1.163 358 L CA 1.175 55.931 54.840 -0.140 0.000 0.859 358 L CB -0.644 41.302 42.059 -0.188 0.000 0.973 358 L HN 0.449 nan 8.230 nan 0.000 0.451 359 T N -6.064 108.403 114.554 -0.145 0.000 3.085 359 T HA 0.142 4.492 4.350 -0.000 0.000 0.264 359 T C 1.192 176.005 174.700 0.189 0.000 1.019 359 T CA -0.230 61.909 62.100 0.064 0.000 0.910 359 T CB -0.244 68.697 68.868 0.120 0.000 1.059 359 T HN 0.174 nan 8.240 nan 0.000 0.542 360 F N 1.714 121.646 119.950 -0.029 0.000 2.569 360 F HA 0.455 4.982 4.527 -0.000 0.000 0.295 360 F C 1.719 177.412 175.800 -0.178 0.000 1.115 360 F CA -0.056 57.894 58.000 -0.083 0.000 1.450 360 F CB 0.490 39.468 39.000 -0.036 0.000 1.107 360 F HN 0.534 nan 8.300 nan 0.000 0.563 361 G N -0.729 107.991 108.800 -0.133 0.000 2.428 361 G HA2 0.204 4.164 3.960 -0.000 0.000 0.304 361 G HA3 0.204 4.164 3.960 -0.000 0.000 0.304 361 G C -1.973 172.590 174.900 -0.560 0.000 1.303 361 G CA -0.630 44.306 45.100 -0.274 0.000 0.825 361 G HN -0.268 nan 8.290 nan 0.000 0.484 362 Q N 0.169 119.694 119.800 -0.458 0.000 2.314 362 Q HA 0.522 4.862 4.340 -0.000 0.000 0.259 362 Q C -1.215 174.457 176.000 -0.547 0.000 0.951 362 Q CA -0.335 55.161 55.803 -0.511 0.000 0.909 362 Q CB 1.235 29.727 28.738 -0.410 0.000 1.236 362 Q HN 0.359 nan 8.270 nan 0.000 0.444 363 F N 0.515 120.371 119.950 -0.158 0.000 2.408 363 F HA 0.187 4.713 4.527 -0.000 0.000 0.344 363 F C 1.642 177.461 175.800 0.031 0.000 1.112 363 F CA -0.369 57.603 58.000 -0.046 0.000 1.096 363 F CB 1.367 40.339 39.000 -0.046 0.000 1.129 363 F HN 0.455 nan 8.300 nan 0.000 0.486 364 S N 0.815 116.738 115.700 0.372 0.000 2.428 364 S HA -0.071 4.399 4.470 -0.000 0.000 0.230 364 S C 0.130 174.906 174.600 0.294 0.000 1.014 364 S CA 0.320 58.764 58.200 0.407 0.000 0.957 364 S CB 0.028 63.429 63.200 0.335 0.000 0.784 364 S HN 0.686 nan 8.310 nan 0.000 0.499 365 C N 1.138 120.585 119.300 0.245 0.000 2.871 365 C HA 0.594 5.054 4.460 -0.000 0.000 0.378 365 C C -1.460 173.607 174.990 0.129 0.000 1.052 365 C CA -1.171 57.954 59.018 0.177 0.000 1.250 365 C CB -0.126 27.690 27.740 0.127 0.000 1.689 365 C HN 0.386 nan 8.230 nan 0.000 0.506 366 I N 5.592 126.236 120.570 0.122 0.000 2.354 366 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 366 I C -0.185 175.946 176.117 0.023 0.000 0.989 366 I CA -0.210 61.135 61.300 0.075 0.000 1.188 366 I CB 1.418 39.485 38.000 0.112 0.000 1.342 366 I HN 0.585 nan 8.210 nan 0.000 0.457 367 K N 5.369 125.732 120.400 -0.063 0.000 2.376 367 K HA 0.788 5.107 4.320 -0.000 0.000 0.257 367 K C -0.861 175.672 176.600 -0.111 0.000 0.939 367 K CA -0.376 55.864 56.287 -0.077 0.000 0.809 367 K CB 2.205 34.636 32.500 -0.116 0.000 1.121 367 K HN 0.852 nan 8.250 nan 0.000 0.425 368 G N 1.910 110.672 108.800 -0.063 0.000 2.663 368 G HA2 0.307 4.267 3.960 -0.000 0.000 0.299 368 G HA3 0.307 4.267 3.960 -0.000 0.000 0.299 368 G C -1.670 173.218 174.900 -0.021 0.000 1.372 368 G CA -0.811 44.251 45.100 -0.064 0.000 0.781 368 G HN 0.717 nan 8.290 nan 0.000 0.491 369 N N -1.436 117.258 118.700 -0.011 0.000 2.402 369 N HA 0.354 5.093 4.740 -0.000 0.000 0.294 369 N C 1.470 176.999 175.510 0.032 0.000 1.203 369 N CA 0.243 53.306 53.050 0.022 0.000 0.838 369 N CB 1.536 40.033 38.487 0.018 0.000 1.306 369 N HN 0.897 nan 8.380 nan 0.000 0.510 370 S N 1.304 117.040 115.700 0.060 0.000 2.507 370 S HA -0.379 4.090 4.470 -0.000 0.000 0.327 370 S C 1.691 176.308 174.600 0.028 0.000 1.255 370 S CA 2.504 60.739 58.200 0.058 0.000 1.276 370 S CB -1.527 61.712 63.200 0.064 0.000 1.296 370 S HN 0.661 nan 8.310 nan 0.000 0.459 371 S N 2.352 118.065 115.700 0.022 0.000 2.343 371 S HA -0.131 4.338 4.470 -0.000 0.000 0.219 371 S C 2.009 176.602 174.600 -0.011 0.000 1.033 371 S CA 1.531 59.739 58.200 0.014 0.000 1.014 371 S CB -0.663 62.552 63.200 0.026 0.000 0.915 371 S HN 0.780 nan 8.310 nan 0.000 0.435 372 E N 0.644 120.835 120.200 -0.015 0.000 2.118 372 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 372 E C 1.862 178.383 176.600 -0.131 0.000 0.992 372 E CA 0.880 57.243 56.400 -0.060 0.000 0.804 372 E CB -0.210 29.469 29.700 -0.036 0.000 0.741 372 E HN 0.363 nan 8.360 nan 0.000 0.458 373 I N 0.906 121.438 120.570 -0.063 0.000 2.406 373 I HA -0.161 4.009 4.170 -0.000 0.000 0.249 373 I C 2.340 178.424 176.117 -0.055 0.000 1.122 373 I CA 1.005 62.278 61.300 -0.046 0.000 1.431 373 I CB -0.728 37.283 38.000 0.018 0.000 1.087 373 I HN 0.154 nan 8.210 nan 0.000 0.424 374 L N 0.351 121.549 121.223 -0.042 0.000 2.056 374 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 374 L C 2.663 179.491 176.870 -0.070 0.000 1.078 374 L CA 1.446 56.264 54.840 -0.037 0.000 0.749 374 L CB -1.127 40.923 42.059 -0.015 0.000 0.901 374 L HN 0.256 nan 8.230 nan 0.000 0.433 375 G N 0.151 108.881 108.800 -0.117 0.000 2.446 375 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.217 375 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.217 375 G C 1.645 176.341 174.900 -0.339 0.000 1.168 375 G CA 0.596 45.586 45.100 -0.183 0.000 0.771 375 G HN 0.221 nan 8.290 nan 0.000 0.551 376 L N 0.538 121.479 121.223 -0.470 0.000 2.141 376 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 376 L C 3.219 180.079 176.870 -0.017 0.000 1.094 376 L CA 0.880 55.513 54.840 -0.346 0.000 0.763 376 L CB -0.142 41.759 42.059 -0.263 0.000 0.908 376 L HN 0.330 nan 8.230 nan 0.000 0.437 377 A N -0.996 121.809 122.820 -0.026 0.000 2.119 377 A HA -0.069 4.250 4.320 -0.000 0.000 0.216 377 A C 0.698 178.282 177.584 0.001 0.000 1.152 377 A CA 0.238 52.281 52.037 0.011 0.000 0.708 377 A CB -0.111 18.889 19.000 0.000 0.000 0.805 377 A HN 0.508 nan 8.150 nan 0.000 0.460 378 E N -2.381 117.814 120.200 -0.008 0.000 2.271 378 E HA -0.168 4.182 4.350 -0.000 0.000 0.215 378 E C 0.364 176.965 176.600 0.002 0.000 1.256 378 E CA 0.021 56.427 56.400 0.009 0.000 0.678 378 E CB -2.758 26.957 29.700 0.024 0.000 1.187 378 E HN 1.055 nan 8.360 nan 0.000 0.392 395 N N -0.215 118.469 118.700 -0.027 0.000 2.324 395 N HA 0.313 5.053 4.740 -0.000 0.000 0.235 395 N C 0.962 176.368 175.510 -0.175 0.000 1.162 395 N CA 0.638 53.658 53.050 -0.050 0.000 0.834 395 N CB 0.277 38.725 38.487 -0.064 0.000 1.354 395 N HN 0.567 nan 8.380 nan 0.000 0.471 396 E N 0.223 120.333 120.200 -0.150 0.000 2.208 396 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 396 E C 1.419 177.909 176.600 -0.185 0.000 0.988 396 E CA 0.520 56.810 56.400 -0.183 0.000 0.828 396 E CB 0.152 29.782 29.700 -0.117 0.000 0.763 396 E HN 0.174 nan 8.360 nan 0.000 0.478 397 L N 1.029 122.175 121.223 -0.128 0.000 2.056 397 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 397 L C 1.989 178.785 176.870 -0.123 0.000 1.078 397 L CA 1.491 56.271 54.840 -0.100 0.000 0.749 397 L CB -0.273 41.753 42.059 -0.055 0.000 0.901 397 L HN 0.121 nan 8.230 nan 0.000 0.433 398 L N -0.967 120.173 121.223 -0.137 0.000 2.079 398 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 398 L C 2.527 179.213 176.870 -0.307 0.000 1.081 398 L CA 1.331 56.095 54.840 -0.127 0.000 0.752 398 L CB -0.518 41.555 42.059 0.023 0.000 0.896 398 L HN 0.319 nan 8.230 nan 0.000 0.433 399 I N -0.645 119.584 120.570 -0.568 0.000 2.179 399 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 399 I C 2.660 178.625 176.117 -0.253 0.000 1.088 399 I CA 1.379 62.327 61.300 -0.588 0.000 1.357 399 I CB -0.441 37.200 38.000 -0.600 0.000 1.051 399 I HN 0.448 nan 8.210 nan 0.000 0.409 400 Q N 1.015 120.701 119.800 -0.190 0.000 2.050 400 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 400 Q C 2.345 178.299 176.000 -0.077 0.000 0.980 400 Q CA 2.111 57.845 55.803 -0.114 0.000 0.840 400 Q CB -0.027 28.653 28.738 -0.097 0.000 0.898 400 Q HN 0.534 nan 8.270 nan 0.000 0.424 401 A N -0.061 122.716 122.820 -0.070 0.000 1.902 401 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 401 A C 2.216 179.801 177.584 0.002 0.000 1.181 401 A CA 1.927 53.947 52.037 -0.029 0.000 0.623 401 A CB -0.973 18.013 19.000 -0.024 0.000 0.818 401 A HN 0.463 nan 8.150 nan 0.000 0.443 402 T N 0.208 114.763 114.554 0.002 0.000 2.759 402 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 402 T C 1.883 176.624 174.700 0.068 0.000 1.042 402 T CA 1.681 63.817 62.100 0.060 0.000 1.140 402 T CB -0.192 68.737 68.868 0.102 0.000 0.864 402 T HN 0.520 nan 8.240 nan 0.000 0.455 403 K N 0.580 120.997 120.400 0.029 0.000 2.057 403 K HA 0.058 4.377 4.320 -0.000 0.000 0.206 403 K C 2.275 178.915 176.600 0.066 0.000 1.050 403 K CA 0.989 57.300 56.287 0.040 0.000 0.935 403 K CB -0.379 32.114 32.500 -0.011 0.000 0.715 403 K HN 0.344 nan 8.250 nan 0.000 0.439 404 I N 1.003 121.593 120.570 0.034 0.000 2.163 404 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 404 I C 2.368 178.537 176.117 0.088 0.000 1.085 404 I CA 1.194 62.520 61.300 0.043 0.000 1.347 404 I CB -0.366 37.638 38.000 0.006 0.000 1.044 404 I HN -0.091 nan 8.210 nan 0.000 0.408 405 V N 0.918 120.894 119.914 0.104 0.000 2.295 405 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 405 V C 2.702 178.919 176.094 0.205 0.000 1.049 405 V CA 2.024 64.434 62.300 0.184 0.000 1.024 405 V CB -1.033 30.896 31.823 0.177 0.000 0.648 405 V HN 0.514 nan 8.190 nan 0.000 0.447 406 A N -0.671 122.249 122.820 0.168 0.000 1.883 406 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 406 A C 2.143 179.804 177.584 0.129 0.000 1.186 406 A CA 2.223 54.356 52.037 0.160 0.000 0.624 406 A CB -0.750 18.338 19.000 0.146 0.000 0.822 406 A HN 0.526 nan 8.150 nan 0.000 0.444 407 F N 0.268 120.209 119.950 -0.015 0.000 2.084 407 F HA -0.123 4.404 4.527 -0.000 0.000 0.296 407 F C 2.271 177.985 175.800 -0.142 0.000 1.111 407 F CA 2.236 60.196 58.000 -0.066 0.000 1.224 407 F CB -0.116 38.843 39.000 -0.069 0.000 0.991 407 F HN 0.170 nan 8.300 nan 0.000 0.471 408 K N -0.123 120.230 120.400 -0.079 0.000 2.034 408 K HA -0.244 4.075 4.320 -0.000 0.000 0.214 408 K C 1.234 177.473 176.600 -0.603 0.000 1.051 408 K CA 2.235 58.284 56.287 -0.396 0.000 0.931 408 K CB -0.665 31.492 32.500 -0.572 0.000 0.715 408 K HN 0.449 nan 8.250 nan 0.000 0.446 409 Y N 0.969 121.195 120.300 -0.124 0.000 2.532 409 Y HA 0.237 4.787 4.550 -0.000 0.000 0.283 409 Y C -0.409 175.360 175.900 -0.218 0.000 1.181 409 Y CA -0.597 57.421 58.100 -0.136 0.000 1.256 409 Y CB 0.444 38.898 38.460 -0.010 0.000 1.112 409 Y HN -0.139 nan 8.280 nan 0.000 0.521 410 K N 1.603 121.845 120.400 -0.264 0.000 4.430 410 K HA -0.224 4.096 4.320 -0.000 0.000 0.283 410 K C -0.188 176.381 176.600 -0.052 0.000 0.845 410 K CA 1.088 57.181 56.287 -0.323 0.000 0.819 410 K CB -1.345 30.633 32.500 -0.870 0.000 1.735 410 K HN 0.478 nan 8.250 nan 0.000 0.429 411 T N -1.583 113.014 114.554 0.073 0.000 2.786 411 T HA 0.374 4.724 4.350 -0.000 0.000 0.316 411 T C -1.027 173.788 174.700 0.191 0.000 1.503 411 T CA -0.576 61.627 62.100 0.172 0.000 1.019 411 T CB 1.444 70.422 68.868 0.184 0.000 1.415 411 T HN -0.014 nan 8.240 nan 0.000 0.496 412 V N 2.939 122.990 119.914 0.229 0.000 2.439 412 V HA 0.595 4.715 4.120 -0.000 0.000 0.271 412 V C 0.773 176.989 176.094 0.203 0.000 1.040 412 V CA -0.174 62.268 62.300 0.236 0.000 1.002 412 V CB 0.221 32.220 31.823 0.292 0.000 1.000 412 V HN 0.987 nan 8.190 nan 0.000 0.477 413 A N 5.511 128.446 122.820 0.192 0.000 2.304 413 A HA 0.795 5.115 4.320 -0.000 0.000 0.323 413 A C -0.639 177.042 177.584 0.161 0.000 1.195 413 A CA -0.515 51.618 52.037 0.161 0.000 0.826 413 A CB 1.388 20.481 19.000 0.156 0.000 1.184 413 A HN 0.620 nan 8.150 nan 0.000 0.496 414 V N 1.724 121.708 119.914 0.118 0.000 2.417 414 V HA 0.419 4.538 4.120 -0.000 0.000 0.291 414 V C -0.355 175.794 176.094 0.092 0.000 1.024 414 V CA -0.548 61.816 62.300 0.108 0.000 0.861 414 V CB 1.330 33.185 31.823 0.054 0.000 0.985 414 V HN 1.018 nan 8.190 nan 0.000 0.436 415 C N 5.956 125.341 119.300 0.141 0.000 2.291 415 C HA 0.691 5.151 4.460 -0.000 0.000 0.322 415 C C 0.769 175.823 174.990 0.107 0.000 1.205 415 C CA -0.400 58.705 59.018 0.144 0.000 1.495 415 C CB -0.181 27.704 27.740 0.241 0.000 2.127 415 C HN 1.024 nan 8.230 nan 0.000 0.452 416 T N 3.337 117.919 114.554 0.047 0.000 2.910 416 T HA 0.807 5.157 4.350 -0.000 0.000 0.293 416 T C 0.510 175.234 174.700 0.041 0.000 1.015 416 T CA 0.353 62.464 62.100 0.018 0.000 1.094 416 T CB 1.643 70.507 68.868 -0.006 0.000 0.968 416 T HN 1.497 nan 8.240 nan 0.000 0.521 417 G N 0.791 109.605 108.800 0.023 0.000 2.393 417 G HA2 0.268 4.228 3.960 -0.000 0.000 0.264 417 G HA3 0.268 4.228 3.960 -0.000 0.000 0.264 417 G C 0.175 175.084 174.900 0.016 0.000 1.221 417 G CA -0.008 45.122 45.100 0.050 0.000 0.912 417 G HN 0.680 nan 8.290 nan 0.000 0.483 418 E N -0.911 119.316 120.200 0.044 0.000 2.031 418 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 418 E C 0.069 176.523 176.600 -0.243 0.000 0.994 418 E CA 0.830 57.189 56.400 -0.068 0.000 0.800 418 E CB -0.109 29.588 29.700 -0.004 0.000 0.752 418 E HN 0.286 nan 8.360 nan 0.000 0.447 419 F N 1.422 121.266 119.950 -0.175 0.000 2.404 419 F HA 0.266 4.793 4.527 -0.000 0.000 0.339 419 F C 0.055 175.492 175.800 -0.605 0.000 1.105 419 F CA -1.148 56.612 58.000 -0.401 0.000 1.087 419 F CB 1.049 39.713 39.000 -0.560 0.000 1.143 419 F HN -0.157 nan 8.300 nan 0.000 0.491 420 D N 3.166 123.358 120.400 -0.347 0.000 2.198 420 D HA 0.286 4.926 4.640 -0.000 0.000 0.245 420 D C -0.801 175.257 176.300 -0.403 0.000 1.079 420 D CA -0.029 53.794 54.000 -0.295 0.000 0.854 420 D CB 1.455 42.202 40.800 -0.088 0.000 1.148 420 D HN 0.208 nan 8.370 nan 0.000 0.456 421 F N 1.458 121.484 119.950 0.127 0.000 2.469 421 F HA 0.469 4.996 4.527 -0.000 0.000 0.332 421 F C 0.323 176.199 175.800 0.126 0.000 1.103 421 F CA -1.043 57.031 58.000 0.123 0.000 0.979 421 F CB 1.297 40.357 39.000 0.099 0.000 1.137 421 F HN 0.041 nan 8.300 nan 0.000 0.463 422 I N 2.883 123.654 120.570 0.335 0.000 2.418 422 I HA 0.630 4.800 4.170 -0.000 0.000 0.287 422 I C -0.444 175.906 176.117 0.387 0.000 1.008 422 I CA -0.399 61.095 61.300 0.323 0.000 1.104 422 I CB 1.783 39.953 38.000 0.283 0.000 1.264 422 I HN 0.672 nan 8.210 nan 0.000 0.438 423 A N 3.925 126.926 122.820 0.302 0.000 2.355 423 A HA 0.660 4.980 4.320 -0.000 0.000 0.317 423 A C -1.158 176.488 177.584 0.104 0.000 1.094 423 A CA -0.534 51.611 52.037 0.180 0.000 0.764 423 A CB 1.105 20.182 19.000 0.129 0.000 1.230 423 A HN 0.602 nan 8.150 nan 0.000 0.448 424 D N 2.225 122.532 120.400 -0.156 0.000 2.412 424 D HA 0.452 5.092 4.640 -0.000 0.000 0.224 424 D C 0.813 177.086 176.300 -0.046 0.000 1.093 424 D CA 0.273 54.145 54.000 -0.213 0.000 0.850 424 D CB 1.188 41.543 40.800 -0.743 0.000 1.046 424 D HN 0.526 nan 8.370 nan 0.000 0.507 425 G N 1.985 110.825 108.800 0.066 0.000 3.393 425 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.255 425 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.255 425 G C 1.272 176.221 174.900 0.082 0.000 1.097 425 G CA 0.318 45.484 45.100 0.111 0.000 0.780 425 G HN 0.531 nan 8.290 nan 0.000 0.540 426 T N -0.801 113.838 114.554 0.142 0.000 2.995 426 T HA 0.015 4.365 4.350 -0.000 0.000 0.269 426 T C 1.594 176.458 174.700 0.273 0.000 1.091 426 T CA 0.437 62.704 62.100 0.277 0.000 1.128 426 T CB -0.352 68.716 68.868 0.333 0.000 0.891 426 T HN 0.576 nan 8.240 nan 0.000 0.492 427 I N 1.943 122.612 120.570 0.165 0.000 6.572 427 I HA -0.291 3.878 4.170 -0.000 0.000 0.126 427 I C 0.389 176.595 176.117 0.149 0.000 1.771 427 I CA 0.909 62.303 61.300 0.157 0.000 2.241 427 I CB -2.254 35.862 38.000 0.193 0.000 3.401 427 I HN 0.518 nan 8.210 nan 0.000 0.227 428 E N -0.957 119.307 120.200 0.107 0.000 3.170 428 E HA -0.305 4.044 4.350 -0.000 0.000 0.284 428 E C 1.219 177.845 176.600 0.043 0.000 0.967 428 E CA 0.762 57.195 56.400 0.054 0.000 0.919 428 E CB -1.639 28.081 29.700 0.033 0.000 1.469 428 E HN 1.258 nan 8.360 nan 0.000 0.444 429 G N 0.415 109.285 108.800 0.116 0.000 2.160 429 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.251 429 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.251 429 G C 0.088 174.983 174.900 -0.008 0.000 1.008 429 G CA 0.665 45.754 45.100 -0.018 0.000 0.724 429 G HN 0.091 nan 8.290 nan 0.000 0.514 430 K N 0.093 120.574 120.400 0.135 0.000 2.276 430 K HA 0.492 4.812 4.320 -0.000 0.000 0.283 430 K C 0.117 176.882 176.600 0.275 0.000 1.044 430 K CA -0.220 56.127 56.287 0.100 0.000 0.944 430 K CB 0.819 33.369 32.500 0.084 0.000 1.012 430 K HN 0.654 nan 8.250 nan 0.000 0.472 431 Y N -1.603 118.781 120.300 0.140 0.000 2.576 431 Y HA 0.649 5.199 4.550 -0.000 0.000 0.346 431 Y C -0.382 175.572 175.900 0.090 0.000 1.018 431 Y CA -1.127 57.069 58.100 0.160 0.000 1.050 431 Y CB 1.709 40.289 38.460 0.200 0.000 1.280 431 Y HN 0.558 nan 8.280 nan 0.000 0.474 432 S N 1.664 117.516 115.700 0.253 0.000 2.588 432 S HA 0.651 5.120 4.470 -0.000 0.000 0.269 432 S C -1.705 172.998 174.600 0.172 0.000 1.157 432 S CA -1.161 57.131 58.200 0.154 0.000 0.824 432 S CB 1.091 64.330 63.200 0.065 0.000 1.126 432 S HN 0.884 nan 8.310 nan 0.000 0.464 433 L N 2.337 123.639 121.223 0.132 0.000 2.349 433 L HA 0.610 4.950 4.340 -0.000 0.000 0.275 433 L C 1.638 178.558 176.870 0.083 0.000 1.115 433 L CA 0.584 55.489 54.840 0.108 0.000 0.820 433 L CB 0.447 42.565 42.059 0.099 0.000 1.135 433 L HN 1.339 nan 8.230 nan 0.000 0.445 434 S N 0.534 116.277 115.700 0.071 0.000 3.017 434 S HA -0.356 4.114 4.470 -0.000 0.000 0.283 434 S C 1.506 176.138 174.600 0.054 0.000 1.304 434 S CA 2.100 60.334 58.200 0.056 0.000 1.224 434 S CB -1.661 61.579 63.200 0.066 0.000 1.480 434 S HN 0.798 nan 8.310 nan 0.000 0.698 435 K N -0.905 119.533 120.400 0.062 0.000 2.057 435 K HA 0.663 4.983 4.320 -0.000 0.000 0.209 435 K C 2.509 179.143 176.600 0.057 0.000 1.028 435 K CA 1.517 57.838 56.287 0.057 0.000 0.950 435 K CB -1.073 31.462 32.500 0.059 0.000 0.784 435 K HN 1.517 nan 8.250 nan 0.000 0.448 436 G N -1.543 107.301 108.800 0.074 0.000 2.687 436 G HA2 0.198 4.158 3.960 -0.000 0.000 0.201 436 G HA3 0.198 4.158 3.960 -0.000 0.000 0.201 436 G C 0.491 175.459 174.900 0.113 0.000 1.211 436 G CA 0.823 45.978 45.100 0.092 0.000 0.637 436 G HN 0.434 nan 8.290 nan 0.000 0.900 437 T N 1.874 116.505 114.554 0.128 0.000 2.747 437 T HA 0.435 4.785 4.350 -0.000 0.000 0.301 437 T C 1.681 176.441 174.700 0.099 0.000 0.952 437 T CA 0.789 62.975 62.100 0.144 0.000 0.983 437 T CB 0.063 69.071 68.868 0.233 0.000 0.930 437 T HN 0.494 nan 8.240 nan 0.000 0.494 438 N N 3.309 122.055 118.700 0.076 0.000 2.165 438 N HA -0.217 4.522 4.740 -0.000 0.000 0.175 438 N C 1.432 176.968 175.510 0.043 0.000 0.833 438 N CA 2.131 55.212 53.050 0.052 0.000 0.886 438 N CB -0.932 nan 38.487 nan 0.000 1.015 438 N HN 0.864 nan 8.380 nan 0.000 0.938 439 G N -2.831 105.993 108.800 0.040 0.000 5.284 439 G HA2 0.404 4.364 3.960 -0.000 0.000 0.236 439 G HA3 0.404 4.364 3.960 -0.000 0.000 0.236 439 G C -0.242 174.662 174.900 0.006 0.000 0.870 439 G CA 0.712 45.824 45.100 0.020 0.000 0.724 439 G HN 0.580 nan 8.290 nan 0.000 0.336 440 T N 2.152 116.729 114.554 0.038 0.000 2.863 440 T HA 0.480 4.830 4.350 -0.000 0.000 0.299 440 T C 0.863 175.519 174.700 -0.073 0.000 0.973 440 T CA 0.120 62.236 62.100 0.026 0.000 0.994 440 T CB 0.931 69.865 68.868 0.110 0.000 0.961 440 T HN 0.501 nan 8.240 nan 0.000 0.552 441 S N 2.229 117.797 115.700 -0.221 0.000 2.713 441 S HA 0.339 4.809 4.470 -0.000 0.000 0.277 441 S C 1.677 175.832 174.600 -0.741 0.000 1.168 441 S CA -0.834 57.061 58.200 -0.508 0.000 0.994 441 S CB 0.725 63.739 63.200 -0.310 0.000 1.054 441 S HN 0.211 nan 8.310 nan 0.000 0.555 442 V N 1.750 121.113 119.914 -0.919 0.000 2.370 442 V HA -0.163 3.956 4.120 -0.000 0.000 0.252 442 V C 2.676 178.598 176.094 -0.287 0.000 1.068 442 V CA 2.346 64.286 62.300 -0.601 0.000 1.061 442 V CB -1.037 30.567 31.823 -0.365 0.000 0.656 442 V HN 0.824 nan 8.190 nan 0.000 0.455 443 E N 0.846 120.902 120.200 -0.240 0.000 2.110 443 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 443 E C 1.212 177.747 176.600 -0.108 0.000 0.988 443 E CA 1.549 57.862 56.400 -0.144 0.000 0.804 443 E CB -0.360 29.267 29.700 -0.122 0.000 0.745 443 E HN 0.932 nan 8.360 nan 0.000 0.458 444 D N 0.123 120.455 120.400 -0.114 0.000 2.670 444 D HA 0.142 4.782 4.640 -0.000 0.000 0.255 444 D C 0.676 176.950 176.300 -0.043 0.000 1.286 444 D CA -0.339 53.621 54.000 -0.067 0.000 0.830 444 D CB -0.788 39.976 40.800 -0.060 0.000 1.065 444 D HN 0.167 nan 8.370 nan 0.000 0.486 445 I N -2.853 117.694 120.570 -0.040 0.000 2.612 445 I HA 0.486 4.656 4.170 -0.000 0.000 0.295 445 I C -2.157 173.945 176.117 -0.025 0.000 1.011 445 I CA -2.566 58.725 61.300 -0.014 0.000 1.326 445 I CB 0.439 38.458 38.000 0.032 0.000 1.427 445 I HN -0.300 nan 8.210 nan 0.000 0.537 446 P HA -0.043 nan 4.420 nan 0.000 0.260 446 P C -0.816 176.470 177.300 -0.022 0.000 1.185 446 P CA -0.025 63.038 63.100 -0.062 0.000 0.763 446 P CB 0.392 31.939 31.700 -0.255 0.000 0.776 447 C N 5.428 124.798 119.300 0.116 0.000 2.446 447 C HA 0.561 5.021 4.460 -0.000 0.000 0.329 447 C C -0.092 175.056 174.990 0.263 0.000 1.166 447 C CA -0.375 58.755 59.018 0.186 0.000 1.341 447 C CB 0.423 28.233 27.740 0.117 0.000 1.970 447 C HN 0.557 nan 8.230 nan 0.000 0.452 448 V N 3.793 123.901 119.914 0.323 0.000 2.994 448 V HA 1.039 5.159 4.120 -0.000 0.000 0.318 448 V C 0.043 176.312 176.094 0.292 0.000 1.085 448 V CA -0.201 62.248 62.300 0.248 0.000 0.998 448 V CB 1.560 33.487 31.823 0.174 0.000 1.063 448 V HN 1.367 nan 8.190 nan 0.000 0.447 449 A N 1.650 124.612 122.820 0.236 0.000 2.380 449 A HA 0.912 5.232 4.320 -0.000 0.000 0.315 449 A C -0.948 176.700 177.584 0.107 0.000 1.101 449 A CA -0.732 51.440 52.037 0.224 0.000 0.771 449 A CB 2.057 21.263 19.000 0.344 0.000 1.287 449 A HN 1.470 nan 8.150 nan 0.000 0.436 450 V N 2.342 122.274 119.914 0.030 0.000 2.488 450 V HA 0.451 4.571 4.120 -0.000 0.000 0.293 450 V C -0.660 175.406 176.094 -0.048 0.000 1.027 450 V CA -0.382 61.924 62.300 0.011 0.000 0.862 450 V CB 1.180 33.007 31.823 0.006 0.000 1.008 450 V HN 1.117 nan 8.190 nan 0.000 0.428 466 C N 2.212 121.432 119.300 -0.133 0.000 2.626 466 C HA 0.378 4.838 4.460 -0.000 0.000 0.266 466 C C 2.732 177.573 174.990 -0.248 0.000 1.317 466 C CA 0.973 59.808 59.018 -0.306 0.000 1.716 466 C CB -0.788 26.506 27.740 -0.745 0.000 1.819 466 C HN 0.421 nan 8.230 nan 0.000 0.578 467 S N 1.097 116.672 115.700 -0.209 0.000 2.425 467 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 467 S C 1.722 176.081 174.600 -0.402 0.000 1.024 467 S CA 0.516 58.548 58.200 -0.279 0.000 0.951 467 S CB -0.204 62.945 63.200 -0.085 0.000 0.796 467 S HN 0.585 nan 8.310 nan 0.000 0.498 468 L N 2.516 123.270 121.223 -0.781 0.000 2.083 468 L HA 0.024 4.364 4.340 -0.000 0.000 0.209 468 L C 2.167 178.811 176.870 -0.376 0.000 1.083 468 L CA 1.905 56.243 54.840 -0.837 0.000 0.752 468 L CB -1.321 40.231 42.059 -0.844 0.000 0.899 468 L HN 0.290 nan 8.230 nan 0.000 0.433 469 G N -1.298 107.319 108.800 -0.304 0.000 2.491 469 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 469 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 469 G C 1.540 176.338 174.900 -0.170 0.000 1.180 469 G CA 1.014 45.982 45.100 -0.221 0.000 0.774 469 G HN 0.505 nan 8.290 nan 0.000 0.562 470 S N 0.247 115.865 115.700 -0.136 0.000 2.399 470 S HA -0.117 4.352 4.470 -0.000 0.000 0.231 470 S C 2.453 177.031 174.600 -0.037 0.000 1.022 470 S CA 1.698 59.877 58.200 -0.035 0.000 0.983 470 S CB -0.458 62.795 63.200 0.089 0.000 0.803 470 S HN 0.474 nan 8.310 nan 0.000 0.480 471 T N 3.044 117.558 114.554 -0.067 0.000 2.639 471 T HA 0.045 4.395 4.350 -0.000 0.000 0.261 471 T C 1.797 176.485 174.700 -0.021 0.000 1.053 471 T CA 1.206 63.293 62.100 -0.022 0.000 1.158 471 T CB -0.553 68.320 68.868 0.009 0.000 0.863 471 T HN 0.291 nan 8.240 nan 0.000 0.413 472 I N 1.708 122.249 120.570 -0.049 0.000 2.181 472 I HA -0.310 3.859 4.170 -0.000 0.000 0.247 472 I C 2.919 179.028 176.117 -0.014 0.000 1.081 472 I CA 1.439 62.723 61.300 -0.027 0.000 1.340 472 I CB -0.621 37.352 38.000 -0.044 0.000 1.036 472 I HN 0.232 nan 8.210 nan 0.000 0.417 473 A N -0.197 122.598 122.820 -0.041 0.000 1.908 473 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 473 A C 2.412 179.997 177.584 0.001 0.000 1.181 473 A CA 2.052 54.067 52.037 -0.038 0.000 0.627 473 A CB -1.159 17.778 19.000 -0.104 0.000 0.818 473 A HN 0.581 nan 8.150 nan 0.000 0.445 474 C N -0.938 118.369 119.300 0.011 0.000 2.450 474 C HA -0.012 4.447 4.460 -0.000 0.000 0.279 474 C C 2.857 177.865 174.990 0.030 0.000 1.335 474 C CA 1.008 60.043 59.018 0.029 0.000 1.749 474 C CB -0.927 26.832 27.740 0.032 0.000 1.963 474 C HN 0.567 nan 8.230 nan 0.000 0.501 475 M N 0.668 120.286 119.600 0.029 0.000 2.123 475 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 475 M C 2.005 178.331 176.300 0.043 0.000 1.069 475 M CA 1.699 57.020 55.300 0.036 0.000 1.133 475 M CB -1.257 31.367 32.600 0.040 0.000 1.356 475 M HN 0.323 nan 8.290 nan 0.000 0.415 476 I N -0.088 120.511 120.570 0.048 0.000 2.361 476 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 476 I C 2.533 178.696 176.117 0.077 0.000 1.133 476 I CA 1.194 62.532 61.300 0.064 0.000 1.413 476 I CB -1.014 37.028 38.000 0.069 0.000 1.073 476 I HN 0.331 nan 8.210 nan 0.000 0.424 477 G N 0.703 109.547 108.800 0.073 0.000 2.422 477 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 477 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 477 G C 1.689 176.659 174.900 0.116 0.000 1.146 477 G CA 0.818 45.980 45.100 0.102 0.000 0.769 477 G HN 0.501 nan 8.290 nan 0.000 0.547 478 G N -0.568 108.256 108.800 0.040 0.000 2.511 478 G HA2 0.050 4.010 3.960 -0.000 0.000 0.217 478 G HA3 0.050 4.010 3.960 -0.000 0.000 0.217 478 G C 0.875 175.764 174.900 -0.019 0.000 1.133 478 G CA -0.103 44.964 45.100 -0.056 0.000 0.792 478 G HN 0.294 nan 8.290 nan 0.000 0.539 479 Q N 1.171 121.009 119.800 0.063 0.000 2.315 479 Q HA 0.181 4.520 4.340 -0.000 0.000 0.289 479 Q C -2.137 173.950 176.000 0.145 0.000 1.044 479 Q CA -0.914 54.937 55.803 0.080 0.000 0.920 479 Q CB 1.159 29.941 28.738 0.074 0.000 1.214 479 Q HN 0.238 nan 8.270 nan 0.000 0.392 480 P HA 0.241 nan 4.420 nan 0.000 0.284 480 P C 0.533 177.877 177.300 0.075 0.000 1.287 480 P CA -0.559 62.633 63.100 0.153 0.000 0.824 480 P CB 0.761 32.531 31.700 0.118 0.000 1.180 481 S N -0.100 115.628 115.700 0.047 0.000 2.408 481 S HA -0.258 4.212 4.470 -0.000 0.000 0.241 481 S C 1.206 175.811 174.600 0.009 0.000 1.080 481 S CA 2.181 60.386 58.200 0.010 0.000 1.109 481 S CB -0.915 62.286 63.200 0.002 0.000 0.966 481 S HN 0.568 nan 8.310 nan 0.000 0.449 482 E N 0.735 120.948 120.200 0.021 0.000 2.502 482 E HA 0.250 4.599 4.350 -0.000 0.000 0.194 482 E C 1.161 177.779 176.600 0.030 0.000 1.062 482 E CA 0.351 56.763 56.400 0.020 0.000 0.867 482 E CB -0.413 29.300 29.700 0.023 0.000 0.888 482 E HN 0.487 nan 8.360 nan 0.000 0.510 483 G N 0.964 109.785 108.800 0.036 0.000 2.466 483 G HA2 0.071 4.031 3.960 -0.000 0.000 0.279 483 G HA3 0.071 4.031 3.960 -0.000 0.000 0.279 483 G C -0.342 174.589 174.900 0.051 0.000 1.410 483 G CA -0.374 44.756 45.100 0.050 0.000 1.065 483 G HN 0.257 nan 8.290 nan 0.000 0.547 484 N N -1.993 116.750 118.700 0.070 0.000 2.478 484 N HA 0.237 4.977 4.740 -0.000 0.000 0.291 484 N C 0.528 176.081 175.510 0.071 0.000 1.090 484 N CA -0.662 52.423 53.050 0.060 0.000 0.911 484 N CB 1.746 40.272 38.487 0.065 0.000 1.546 484 N HN 0.290 nan 8.380 nan 0.000 0.500 485 L N 4.168 125.430 121.223 0.065 0.000 2.056 485 L HA 0.179 4.519 4.340 -0.000 0.000 0.207 485 L C 1.526 178.489 176.870 0.155 0.000 1.078 485 L CA 1.757 56.656 54.840 0.098 0.000 0.749 485 L CB -0.780 41.333 42.059 0.091 0.000 0.901 485 L HN 0.739 nan 8.230 nan 0.000 0.433 486 F N 0.018 119.958 119.950 -0.017 0.000 2.075 486 F HA -0.241 4.285 4.527 -0.000 0.000 0.297 486 F C 2.607 178.430 175.800 0.037 0.000 1.113 486 F CA 2.030 60.020 58.000 -0.016 0.000 1.218 486 F CB -0.719 38.229 39.000 -0.087 0.000 0.984 486 F HN 0.269 nan 8.300 nan 0.000 0.472 487 H N 0.140 119.140 119.070 -0.116 0.000 2.352 487 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 487 H C 2.408 177.650 175.328 -0.144 0.000 1.097 487 H CA 1.332 57.254 56.048 -0.210 0.000 1.311 487 H CB -1.195 28.527 29.762 -0.066 0.000 1.377 487 H HN 0.368 nan 8.280 nan 0.000 0.504 488 A N 0.648 123.514 122.820 0.077 0.000 1.892 488 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 488 A C 2.887 180.483 177.584 0.021 0.000 1.188 488 A CA 2.182 54.250 52.037 0.052 0.000 0.631 488 A CB -0.986 18.052 19.000 0.065 0.000 0.822 488 A HN 0.237 nan 8.150 nan 0.000 0.447 489 V N -0.434 119.486 119.914 0.009 0.000 2.295 489 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 489 V C 2.558 178.629 176.094 -0.038 0.000 1.049 489 V CA 1.994 64.299 62.300 0.009 0.000 1.024 489 V CB -0.998 30.864 31.823 0.065 0.000 0.648 489 V HN 0.369 nan 8.190 nan 0.000 0.447 490 V N 0.390 120.214 119.914 -0.149 0.000 2.287 490 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 490 V C 2.778 178.855 176.094 -0.029 0.000 1.053 490 V CA 2.108 64.326 62.300 -0.137 0.000 1.027 490 V CB -1.278 30.375 31.823 -0.283 0.000 0.646 490 V HN 0.566 nan 8.190 nan 0.000 0.447 491 A N 0.588 123.402 122.820 -0.009 0.000 1.884 491 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 491 A C 2.457 180.108 177.584 0.112 0.000 1.197 491 A CA 2.399 54.477 52.037 0.068 0.000 0.637 491 A CB -1.465 17.569 19.000 0.057 0.000 0.827 491 A HN 0.561 nan 8.150 nan 0.000 0.450 492 G N -0.805 108.035 108.800 0.066 0.000 2.440 492 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 492 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 492 G C 1.490 176.433 174.900 0.073 0.000 1.154 492 G CA 1.384 46.521 45.100 0.061 0.000 0.767 492 G HN 0.404 nan 8.290 nan 0.000 0.552 493 V N 1.212 121.158 119.914 0.053 0.000 2.515 493 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 493 V C 2.915 179.069 176.094 0.101 0.000 1.058 493 V CA 1.573 63.912 62.300 0.064 0.000 1.064 493 V CB -0.326 31.517 31.823 0.032 0.000 0.675 493 V HN 0.306 nan 8.190 nan 0.000 0.461 494 M N -0.781 118.888 119.600 0.114 0.000 2.064 494 M HA -0.125 4.355 4.480 -0.000 0.000 0.260 494 M C 2.323 178.683 176.300 0.099 0.000 1.073 494 M CA 1.798 57.197 55.300 0.166 0.000 1.124 494 M CB -1.025 31.744 32.600 0.282 0.000 1.326 494 M HN 0.276 nan 8.290 nan 0.000 0.410 495 L N -0.728 120.545 121.223 0.083 0.000 2.051 495 L HA -0.303 4.037 4.340 -0.000 0.000 0.214 495 L C 2.625 179.369 176.870 -0.210 0.000 1.076 495 L CA 1.997 56.681 54.840 -0.259 0.000 0.758 495 L CB -0.559 41.451 42.059 -0.082 0.000 0.890 495 L HN 0.231 nan 8.230 nan 0.000 0.433 496 Y N 0.590 120.807 120.300 -0.140 0.000 2.153 496 Y HA -0.295 4.255 4.550 -0.000 0.000 0.289 496 Y C 2.641 178.482 175.900 -0.098 0.000 1.127 496 Y CA 1.961 59.993 58.100 -0.112 0.000 1.131 496 Y CB -0.105 38.317 38.460 -0.063 0.000 0.995 496 Y HN -0.007 nan 8.280 nan 0.000 0.505 497 K N 0.589 121.031 120.400 0.071 0.000 2.152 497 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 497 K C 2.087 178.616 176.600 -0.119 0.000 1.048 497 K CA 1.339 57.623 56.287 -0.005 0.000 0.933 497 K CB -0.708 31.814 32.500 0.037 0.000 0.721 497 K HN 0.443 nan 8.250 nan 0.000 0.447 498 A N 0.213 122.925 122.820 -0.180 0.000 1.855 498 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 498 A C 2.294 179.678 177.584 -0.332 0.000 1.191 498 A CA 1.808 53.683 52.037 -0.269 0.000 0.613 498 A CB -1.041 17.656 19.000 -0.506 0.000 0.829 498 A HN 0.324 nan 8.150 nan 0.000 0.442 499 A N -0.590 121.980 122.820 -0.416 0.000 2.125 499 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 499 A C 2.167 179.531 177.584 -0.368 0.000 1.156 499 A CA 1.758 53.561 52.037 -0.390 0.000 0.671 499 A CB -1.048 17.712 19.000 -0.400 0.000 0.794 499 A HN 0.673 nan 8.150 nan 0.000 0.459 500 G N -0.613 107.989 108.800 -0.331 0.000 2.395 500 G HA2 0.047 4.007 3.960 -0.000 0.000 0.214 500 G HA3 0.047 4.007 3.960 -0.000 0.000 0.214 500 G C 1.776 176.651 174.900 -0.041 0.000 1.177 500 G CA 1.596 46.590 45.100 -0.177 0.000 0.794 500 G HN 0.735 nan 8.290 nan 0.000 0.532 501 K N 1.112 121.470 120.400 -0.071 0.000 2.009 501 K HA 0.024 4.344 4.320 -0.000 0.000 0.210 501 K C 2.363 178.937 176.600 -0.045 0.000 1.049 501 K CA 1.523 57.788 56.287 -0.036 0.000 0.929 501 K CB -0.950 31.522 32.500 -0.047 0.000 0.714 501 K HN 0.387 nan 8.250 nan 0.000 0.440 502 I N 0.674 121.182 120.570 -0.102 0.000 2.118 502 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 502 I C 3.040 179.089 176.117 -0.114 0.000 1.070 502 I CA 1.446 62.682 61.300 -0.107 0.000 1.327 502 I CB -0.450 37.461 38.000 -0.148 0.000 1.034 502 I HN 0.463 nan 8.210 nan 0.000 0.405 503 A N 0.743 123.443 122.820 -0.200 0.000 1.877 503 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 503 A C 2.501 180.050 177.584 -0.058 0.000 1.186 503 A CA 2.351 54.210 52.037 -0.297 0.000 0.620 503 A CB -0.988 17.544 19.000 -0.780 0.000 0.822 503 A HN 0.543 nan 8.150 nan 0.000 0.443 504 S N -0.126 115.678 115.700 0.174 0.000 2.419 504 S HA -0.223 4.247 4.470 -0.000 0.000 0.235 504 S C 1.605 176.279 174.600 0.123 0.000 1.019 504 S CA 1.685 60.073 58.200 0.314 0.000 0.982 504 S CB -0.414 62.931 63.200 0.241 0.000 0.789 504 S HN 0.678 nan 8.310 nan 0.000 0.490 505 E N 1.271 121.502 120.200 0.051 0.000 2.033 505 E HA 0.041 4.391 4.350 -0.000 0.000 0.189 505 E C 1.723 178.329 176.600 0.010 0.000 0.979 505 E CA 0.899 57.311 56.400 0.020 0.000 0.802 505 E CB -0.050 29.649 29.700 -0.001 0.000 0.763 505 E HN 0.567 nan 8.360 nan 0.000 0.449 506 K N 0.588 120.982 120.400 -0.010 0.000 2.569 506 K HA 0.055 4.375 4.320 -0.000 0.000 0.193 506 K C 0.169 176.762 176.600 -0.011 0.000 1.026 506 K CA -0.075 56.200 56.287 -0.020 0.000 1.093 506 K CB -0.312 32.161 32.500 -0.045 0.000 0.849 506 K HN 0.206 nan 8.250 nan 0.000 0.509 507 C N -1.434 117.878 119.300 0.020 0.000 2.667 507 C HA 0.453 4.913 4.460 -0.000 0.000 0.323 507 C C 0.562 175.576 174.990 0.039 0.000 1.214 507 C CA -1.048 57.992 59.018 0.036 0.000 1.721 507 C CB 1.275 29.074 27.740 0.098 0.000 2.275 507 C HN 0.255 nan 8.230 nan 0.000 0.491 508 N N 0.623 119.341 118.700 0.030 0.000 2.187 508 N HA 0.416 5.156 4.740 -0.000 0.000 0.212 508 N C 0.453 175.973 175.510 0.018 0.000 1.152 508 N CA 0.872 53.933 53.050 0.018 0.000 0.872 508 N CB 1.284 39.774 38.487 0.005 0.000 1.025 508 N HN 1.164 nan 8.380 nan 0.000 0.514 509 G N -0.575 108.246 108.800 0.036 0.000 2.327 509 G HA2 0.012 3.972 3.960 -0.000 0.000 0.291 509 G HA3 0.012 3.972 3.960 -0.000 0.000 0.291 509 G C 0.150 175.076 174.900 0.044 0.000 1.290 509 G CA -0.385 44.728 45.100 0.021 0.000 0.857 509 G HN -0.087 nan 8.290 nan 0.000 0.520 510 S N -0.347 115.355 115.700 0.004 0.000 2.365 510 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 510 S C 2.560 177.187 174.600 0.044 0.000 1.039 510 S CA 2.705 60.908 58.200 0.004 0.000 1.033 510 S CB -0.838 62.341 63.200 -0.036 0.000 0.887 510 S HN 1.375 nan 8.310 nan 0.000 0.447 511 G N 1.720 110.525 108.800 0.008 0.000 2.511 511 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 511 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 511 G C 1.712 176.610 174.900 -0.004 0.000 1.218 511 G CA 1.620 46.711 45.100 -0.015 0.000 0.788 511 G HN 0.673 nan 8.290 nan 0.000 0.560 512 S N 0.299 116.007 115.700 0.013 0.000 2.402 512 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 512 S C 2.105 176.711 174.600 0.010 0.000 1.021 512 S CA 1.267 59.467 58.200 -0.000 0.000 0.974 512 S CB -0.546 62.653 63.200 -0.001 0.000 0.800 512 S HN 0.379 nan 8.310 nan 0.000 0.484 513 F N 2.295 122.210 119.950 -0.059 0.000 2.154 513 F HA -0.162 4.365 4.527 -0.000 0.000 0.301 513 F C 2.629 178.398 175.800 -0.051 0.000 1.087 513 F CA 1.981 59.949 58.000 -0.053 0.000 1.274 513 F CB -0.385 38.585 39.000 -0.049 0.000 1.009 513 F HN 0.267 nan 8.300 nan 0.000 0.485 514 Q N -0.245 119.571 119.800 0.027 0.000 2.020 514 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 514 Q C 2.434 178.368 176.000 -0.110 0.000 0.974 514 Q CA 1.815 57.567 55.803 -0.086 0.000 0.829 514 Q CB -0.392 28.201 28.738 -0.242 0.000 0.894 514 Q HN 0.429 nan 8.270 nan 0.000 0.433 515 V N 0.564 120.419 119.914 -0.098 0.000 2.490 515 V HA -0.179 3.940 4.120 -0.000 0.000 0.250 515 V C 1.700 177.736 176.094 -0.096 0.000 1.061 515 V CA 1.844 64.104 62.300 -0.066 0.000 1.064 515 V CB -0.272 31.516 31.823 -0.058 0.000 0.670 515 V HN 0.350 nan 8.190 nan 0.000 0.461 516 E N 0.016 120.119 120.200 -0.162 0.000 2.208 516 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 516 E C 2.093 178.536 176.600 -0.263 0.000 0.988 516 E CA 1.319 57.602 56.400 -0.195 0.000 0.828 516 E CB -0.189 29.385 29.700 -0.210 0.000 0.763 516 E HN 0.670 nan 8.360 nan 0.000 0.478 517 L N 0.562 121.564 121.223 -0.369 0.000 2.056 517 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 517 L C 2.287 179.059 176.870 -0.162 0.000 1.078 517 L CA 0.918 55.531 54.840 -0.377 0.000 0.749 517 L CB -0.147 41.651 42.059 -0.434 0.000 0.901 517 L HN 0.076 nan 8.230 nan 0.000 0.433 518 I N -0.052 120.498 120.570 -0.034 0.000 2.226 518 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 518 I C 2.080 178.196 176.117 -0.001 0.000 1.100 518 I CA 1.312 62.625 61.300 0.022 0.000 1.374 518 I CB -0.471 37.584 38.000 0.091 0.000 1.057 518 I HN 0.284 nan 8.210 nan 0.000 0.413 519 D N 1.119 121.497 120.400 -0.036 0.000 2.092 519 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 519 D C 2.276 178.578 176.300 0.003 0.000 0.994 519 D CA 1.779 55.769 54.000 -0.017 0.000 0.828 519 D CB -0.269 40.498 40.800 -0.054 0.000 0.963 519 D HN 0.341 nan 8.370 nan 0.000 0.450 520 A N 0.347 123.115 122.820 -0.087 0.000 1.972 520 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 520 A C 2.401 179.900 177.584 -0.141 0.000 1.169 520 A CA 0.912 52.870 52.037 -0.130 0.000 0.635 520 A CB -0.710 18.163 19.000 -0.212 0.000 0.810 520 A HN 0.235 nan 8.150 nan 0.000 0.446 521 L N -2.331 118.822 121.223 -0.118 0.000 2.056 521 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 521 L C 2.565 179.413 176.870 -0.037 0.000 1.078 521 L CA 1.764 56.540 54.840 -0.107 0.000 0.749 521 L CB -0.581 41.439 42.059 -0.065 0.000 0.901 521 L HN 0.602 nan 8.230 nan 0.000 0.433 522 Y N 0.856 121.108 120.300 -0.080 0.000 2.145 522 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 522 Y C 2.814 178.688 175.900 -0.043 0.000 1.145 522 Y CA 1.626 59.697 58.100 -0.049 0.000 1.148 522 Y CB -0.102 38.334 38.460 -0.039 0.000 0.981 522 Y HN -0.033 nan 8.280 nan 0.000 0.507 523 R N -0.800 119.734 120.500 0.056 0.000 2.066 523 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 523 R C 2.069 178.323 176.300 -0.076 0.000 1.131 523 R CA 1.324 57.419 56.100 -0.009 0.000 0.955 523 R CB -0.605 29.718 30.300 0.038 0.000 0.851 523 R HN 0.287 nan 8.270 nan 0.000 0.432 524 L N 0.745 121.905 121.223 -0.105 0.000 2.079 524 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 524 L C 2.477 179.364 176.870 0.029 0.000 1.081 524 L CA 2.243 57.018 54.840 -0.110 0.000 0.752 524 L CB -1.120 40.697 42.059 -0.403 0.000 0.896 524 L HN 0.380 nan 8.230 nan 0.000 0.433 525 T N -5.424 109.097 114.554 -0.055 0.000 3.051 525 T HA -0.036 4.314 4.350 -0.000 0.000 0.255 525 T C 1.992 176.643 174.700 -0.081 0.000 1.085 525 T CA 0.036 62.127 62.100 -0.016 0.000 1.109 525 T CB -0.010 68.828 68.868 -0.051 0.000 0.921 525 T HN -0.022 nan 8.240 nan 0.000 0.488 526 R N 2.528 122.915 120.500 -0.189 0.000 2.189 526 R HA 0.127 4.467 4.340 -0.000 0.000 0.218 526 R C 0.646 176.902 176.300 -0.074 0.000 1.074 526 R CA 0.690 56.675 56.100 -0.193 0.000 0.991 526 R CB -0.300 29.806 30.300 -0.323 0.000 0.883 526 R HN 0.843 nan 8.270 nan 0.000 0.457 527 E N 0.018 120.207 120.200 -0.019 0.000 2.255 527 E HA 0.268 4.618 4.350 -0.000 0.000 0.245 527 E C -1.167 175.481 176.600 0.080 0.000 0.909 527 E CA -0.683 55.732 56.400 0.024 0.000 0.747 527 E CB 0.565 30.286 29.700 0.035 0.000 1.215 527 E HN -0.154 nan 8.360 nan 0.000 0.424 528 N N 2.441 121.166 118.700 0.041 0.000 2.434 528 N HA 0.026 4.766 4.740 -0.000 0.000 0.273 528 N C -0.532 174.950 175.510 -0.047 0.000 1.210 528 N CA 0.185 53.251 53.050 0.027 0.000 0.992 528 N CB 0.675 39.145 38.487 -0.028 0.000 1.355 528 N HN 0.619 nan 8.380 nan 0.000 0.495 529 T N -2.072 112.460 114.554 -0.037 0.000 3.483 529 T HA 0.299 4.649 4.350 -0.000 0.000 0.258 529 T C -1.996 172.460 174.700 -0.406 0.000 1.013 529 T CA -1.556 60.466 62.100 -0.130 0.000 1.078 529 T CB 0.859 69.722 68.868 -0.008 0.000 1.111 529 T HN 0.025 nan 8.240 nan 0.000 0.538 530 P HA -0.052 nan 4.420 nan 0.000 0.219 530 P C 2.022 178.853 177.300 -0.783 0.000 1.144 530 P CA 1.113 63.277 63.100 -1.560 0.000 0.806 530 P CB -0.219 30.749 31.700 -1.219 0.000 0.771 531 V N -0.952 118.714 119.914 -0.413 0.000 2.469 531 V HA -0.317 3.803 4.120 -0.000 0.000 0.251 531 V C 2.395 178.416 176.094 -0.121 0.000 1.064 531 V CA 2.949 65.122 62.300 -0.212 0.000 1.066 531 V CB -1.864 29.874 31.823 -0.142 0.000 0.667 531 V HN 0.114 nan 8.190 nan 0.000 0.461 532 T N -0.639 113.858 114.554 -0.096 0.000 2.720 532 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 532 T C 0.526 175.351 174.700 0.209 0.000 1.037 532 T CA 0.990 63.134 62.100 0.074 0.000 1.144 532 T CB -0.346 68.630 68.868 0.179 0.000 0.864 532 T HN 0.719 nan 8.240 nan 0.000 0.444 533 W N 1.039 122.322 121.300 -0.029 0.000 2.210 533 W HA 0.518 5.178 4.660 -0.000 0.000 0.330 533 W C 1.522 178.023 176.519 -0.030 0.000 1.334 533 W CA -1.569 55.757 57.345 -0.032 0.000 1.227 533 W CB -0.592 28.847 29.460 -0.035 0.000 1.178 533 W HN 0.169 nan 8.180 nan 0.000 0.560 534 A N 4.890 127.822 122.820 0.185 0.000 1.948 534 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 534 A C -0.893 176.733 177.584 0.069 0.000 1.177 534 A CA 1.023 53.111 52.037 0.084 0.000 0.636 534 A CB -2.148 16.867 19.000 0.026 0.000 0.815 534 A HN 0.446 nan 8.150 nan 0.000 0.449 535 P HA 0.305 nan 4.420 nan 0.000 0.281 535 P C -1.216 176.120 177.300 0.060 0.000 1.252 535 P CA -0.144 62.989 63.100 0.055 0.000 0.778 535 P CB 0.930 32.671 31.700 0.067 0.000 0.895 536 K N 2.636 123.056 120.400 0.032 0.000 2.234 536 K HA 0.363 4.683 4.320 -0.000 0.000 0.277 536 K C -0.262 176.364 176.600 0.043 0.000 1.038 536 K CA -0.872 55.438 56.287 0.037 0.000 0.888 536 K CB 0.935 33.458 32.500 0.038 0.000 1.091 536 K HN 0.320 nan 8.250 nan 0.000 0.467 537 L N 4.064 125.308 121.223 0.034 0.000 2.287 537 L HA 0.180 4.520 4.340 -0.000 0.000 0.280 537 L C 0.011 176.893 176.870 0.019 0.000 1.055 537 L CA 0.153 55.008 54.840 0.025 0.000 0.863 537 L CB 0.427 42.484 42.059 -0.002 0.000 1.245 537 L HN 0.759 nan 8.230 nan 0.000 0.432 538 T N 0.566 115.154 114.554 0.058 0.000 2.888 538 T HA 0.459 4.809 4.350 -0.000 0.000 0.283 538 T C 0.344 175.062 174.700 0.029 0.000 1.013 538 T CA -0.547 61.599 62.100 0.077 0.000 0.938 538 T CB 0.631 69.585 68.868 0.144 0.000 1.298 538 T HN 0.471 nan 8.240 nan 0.000 0.580 539 H N -0.291 118.854 119.070 0.126 0.000 2.508 539 H HA 0.614 5.170 4.556 -0.000 0.000 0.344 539 H C 0.854 176.262 175.328 0.134 0.000 1.192 539 H CA 0.021 56.148 56.048 0.131 0.000 1.290 539 H CB 1.303 31.125 29.762 0.099 0.000 1.571 539 H HN 1.078 nan 8.280 nan 0.000 0.555 540 T N 0.000 114.721 114.554 0.278 0.000 3.816 540 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 540 T CA 0.000 62.204 62.100 0.173 0.000 1.349 540 T CB 0.000 68.958 68.868 0.149 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658