REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3nl3_1_C DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PTLTKKNPXX DATA SEQUENCE XXXGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL STKNSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSATETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLXXXXXGTS VEDIPCVAVE DATA SEQUENCE AGPIXXXXXX 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 0.000 176.425 176.600 -0.291 0.000 0.988 2 K CA 0.000 56.175 56.287 -0.187 0.000 0.838 2 K CB 0.000 32.460 32.500 -0.067 0.000 1.064 3 F N 1.316 121.237 119.950 -0.048 0.000 2.408 3 F HA 0.507 4.131 4.527 -1.505 0.000 0.325 3 F C 1.010 176.892 175.800 0.137 0.000 1.082 3 F CA -0.358 57.628 58.000 -0.025 0.000 1.032 3 F CB 1.838 40.715 39.000 -0.205 0.000 1.259 3 F HN 0.493 nan 8.300 nan 0.000 0.503 4 S N -0.107 115.814 115.700 0.367 0.000 2.600 4 S HA 0.387 3.953 4.470 -1.507 0.000 0.300 4 S C 0.618 175.450 174.600 0.387 0.000 1.087 4 S CA -0.974 57.410 58.200 0.306 0.000 0.965 4 S CB 1.995 65.294 63.200 0.166 0.000 1.089 4 S HN 0.714 nan 8.310 nan 0.000 0.496 5 K N 0.706 121.239 120.400 0.222 0.000 2.097 5 K HA -0.290 3.126 4.320 -1.507 0.000 0.223 5 K C 1.227 177.973 176.600 0.243 0.000 1.049 5 K CA 2.667 59.034 56.287 0.133 0.000 0.956 5 K CB -0.409 32.150 32.500 0.098 0.000 0.746 5 K HN 0.763 nan 8.250 nan 0.000 0.461 6 E N -0.109 120.221 120.200 0.217 0.000 2.481 6 E HA -0.048 3.398 4.350 -1.507 0.000 0.195 6 E C 1.368 178.079 176.600 0.184 0.000 1.047 6 E CA 0.425 56.938 56.400 0.188 0.000 0.867 6 E CB 0.264 30.048 29.700 0.140 0.000 0.858 6 E HN 0.348 nan 8.360 nan 0.000 0.513 7 Q N -0.563 119.377 119.800 0.233 0.000 2.392 7 Q HA 0.107 3.543 4.340 -1.507 0.000 0.203 7 Q C -0.368 175.666 176.000 0.056 0.000 0.917 7 Q CA -0.119 55.784 55.803 0.167 0.000 0.939 7 Q CB 0.265 29.135 28.738 0.220 0.000 1.063 7 Q HN 0.216 nan 8.270 nan 0.000 0.516 8 F N 1.915 121.789 119.950 -0.127 0.000 2.506 8 F HA 0.018 3.639 4.527 -1.509 0.000 0.371 8 F C 0.478 175.997 175.800 -0.468 0.000 1.078 8 F CA -0.455 57.295 58.000 -0.417 0.000 1.195 8 F CB 0.475 39.129 39.000 -0.577 0.000 1.099 8 F HN -0.133 nan 8.300 nan 0.000 0.548 9 D N 3.904 124.071 120.400 -0.389 0.000 2.443 9 D HA 0.104 3.840 4.640 -1.507 0.000 0.221 9 D C -0.002 176.106 176.300 -0.320 0.000 1.097 9 D CA -0.306 53.544 54.000 -0.249 0.000 0.865 9 D CB 0.212 40.915 40.800 -0.161 0.000 1.034 9 D HN 0.421 nan 8.370 nan 0.000 0.511 10 Y N 1.961 122.221 120.300 -0.067 0.000 2.529 10 Y HA -0.000 3.645 4.550 -1.507 0.000 0.290 10 Y C 2.348 178.234 175.900 -0.023 0.000 1.177 10 Y CA -0.176 57.867 58.100 -0.094 0.000 1.305 10 Y CB 0.090 38.508 38.460 -0.068 0.000 1.047 10 Y HN 0.300 nan 8.280 nan 0.000 0.522 11 S N 0.694 116.447 115.700 0.088 0.000 2.452 11 S HA -0.240 3.326 4.470 -1.507 0.000 0.253 11 S C 0.548 175.195 174.600 0.079 0.000 1.061 11 S CA 1.364 59.608 58.200 0.073 0.000 1.273 11 S CB -0.591 62.627 63.200 0.030 0.000 1.191 11 S HN 0.271 nan 8.310 nan 0.000 0.430 12 L N 1.165 122.418 121.223 0.050 0.000 2.318 12 L HA 0.469 3.904 4.340 -1.507 0.000 0.277 12 L C -1.457 175.473 176.870 0.100 0.000 1.008 12 L CA -0.635 54.241 54.840 0.060 0.000 0.846 12 L CB 0.915 42.987 42.059 0.020 0.000 1.220 12 L HN 0.315 nan 8.230 nan 0.000 0.423 13 Y N 6.076 126.363 120.300 -0.022 0.000 2.369 13 Y HA 0.493 4.140 4.550 -1.504 0.000 0.337 13 Y C -1.209 174.669 175.900 -0.036 0.000 0.961 13 Y CA -1.615 56.471 58.100 -0.024 0.000 1.186 13 Y CB 1.467 39.937 38.460 0.015 0.000 1.139 13 Y HN 0.622 nan 8.280 nan 0.000 0.494 14 L N 7.531 128.930 121.223 0.293 0.000 2.260 14 L HA 0.526 3.962 4.340 -1.507 0.000 0.289 14 L C -1.256 175.666 176.870 0.085 0.000 1.057 14 L CA -0.247 54.653 54.840 0.099 0.000 0.811 14 L CB 0.783 42.863 42.059 0.036 0.000 1.184 14 L HN 0.377 nan 8.230 nan 0.000 0.429 15 V N 4.731 124.612 119.914 -0.056 0.000 2.347 15 V HA 0.414 3.629 4.120 -1.507 0.000 0.280 15 V C 0.611 176.675 176.094 -0.050 0.000 1.021 15 V CA -0.299 61.952 62.300 -0.081 0.000 0.847 15 V CB 1.453 33.150 31.823 -0.210 0.000 0.990 15 V HN 0.919 nan 8.190 nan 0.000 0.444 16 T N 1.160 115.703 114.554 -0.019 0.000 2.788 16 T HA 0.486 3.931 4.350 -1.507 0.000 0.287 16 T C -0.547 174.135 174.700 -0.030 0.000 1.007 16 T CA -0.435 61.652 62.100 -0.022 0.000 1.005 16 T CB 1.520 70.380 68.868 -0.013 0.000 1.012 16 T HN 0.683 nan 8.240 nan 0.000 0.530 17 D N -0.367 120.017 120.400 -0.026 0.000 2.613 17 D HA 0.323 4.058 4.640 -1.507 0.000 0.230 17 D C 0.691 176.981 176.300 -0.017 0.000 1.365 17 D CA -0.491 53.493 54.000 -0.026 0.000 0.976 17 D CB 1.711 42.497 40.800 -0.024 0.000 1.415 17 D HN 0.406 nan 8.370 nan 0.000 0.589 18 S N 1.924 117.613 115.700 -0.019 0.000 2.368 18 S HA 0.043 3.609 4.470 -1.507 0.000 0.225 18 S C 1.509 176.113 174.600 0.007 0.000 1.030 18 S CA 1.195 59.396 58.200 0.003 0.000 0.999 18 S CB -0.137 63.070 63.200 0.013 0.000 0.844 18 S HN 0.578 nan 8.310 nan 0.000 0.459 19 G N 0.616 109.414 108.800 -0.003 0.000 3.636 19 G HA2 0.468 3.524 3.960 -1.507 0.000 0.260 19 G HA3 0.468 3.524 3.960 -1.507 0.000 0.260 19 G C 0.065 174.963 174.900 -0.003 0.000 1.014 19 G CA -0.236 44.862 45.100 -0.004 0.000 1.797 19 G HN 0.494 nan 8.290 nan 0.000 0.637 20 M N 0.352 119.952 119.600 0.000 0.000 2.309 20 M HA 0.324 3.900 4.480 -1.507 0.000 0.438 20 M C -0.567 175.735 176.300 0.004 0.000 1.004 20 M CA -0.043 55.258 55.300 0.001 0.000 1.024 20 M CB 0.517 33.116 32.600 -0.001 0.000 2.095 20 M HN 0.043 nan 8.290 nan 0.000 0.701 21 I N 3.697 124.271 120.570 0.007 0.000 2.496 21 I HA 0.248 3.514 4.170 -1.507 0.000 0.285 21 I C -1.954 174.169 176.117 0.010 0.000 1.080 21 I CA -1.615 59.691 61.300 0.011 0.000 1.404 21 I CB 0.218 38.230 38.000 0.020 0.000 1.403 21 I HN 0.078 nan 8.210 nan 0.000 0.539 22 P HA 0.100 nan 4.420 nan 0.000 0.272 22 P C -0.464 176.841 177.300 0.009 0.000 1.230 22 P CA -0.394 62.710 63.100 0.007 0.000 0.788 22 P CB 0.447 32.151 31.700 0.007 0.000 0.949 23 E N 0.508 120.712 120.200 0.007 0.000 2.442 23 E HA 0.206 3.652 4.350 -1.507 0.000 0.262 23 E C 1.080 177.686 176.600 0.010 0.000 1.004 23 E CA 0.962 57.366 56.400 0.007 0.000 0.928 23 E CB -0.121 29.581 29.700 0.004 0.000 0.937 23 E HN 0.798 nan 8.360 nan 0.000 0.446 24 G N 2.743 111.551 108.800 0.013 0.000 2.148 24 G HA2 -0.304 2.751 3.960 -1.507 0.000 0.254 24 G HA3 -0.304 2.751 3.960 -1.507 0.000 0.254 24 G C -0.024 174.889 174.900 0.022 0.000 0.981 24 G CA 0.391 45.500 45.100 0.015 0.000 0.670 24 G HN 0.413 nan 8.290 nan 0.000 0.528 25 K N 0.409 120.824 120.400 0.025 0.000 2.375 25 K HA 0.647 4.062 4.320 -1.507 0.000 0.249 25 K C 0.114 176.741 176.600 0.044 0.000 0.942 25 K CA -0.185 56.122 56.287 0.033 0.000 0.806 25 K CB 1.942 34.458 32.500 0.026 0.000 1.227 25 K HN 0.257 nan 8.250 nan 0.000 0.430 26 T N -1.086 113.505 114.554 0.062 0.000 2.950 26 T HA 0.228 3.674 4.350 -1.507 0.000 0.288 26 T C 0.872 175.623 174.700 0.085 0.000 1.035 26 T CA -0.907 61.243 62.100 0.083 0.000 1.028 26 T CB 1.173 70.107 68.868 0.110 0.000 1.109 26 T HN 0.404 nan 8.240 nan 0.000 0.514 27 L N 0.438 121.717 121.223 0.093 0.000 2.046 27 L HA 0.040 3.475 4.340 -1.507 0.000 0.208 27 L C 2.205 179.118 176.870 0.071 0.000 1.077 27 L CA 1.671 56.551 54.840 0.067 0.000 0.747 27 L CB -1.353 40.743 42.059 0.063 0.000 0.896 27 L HN 0.839 nan 8.230 nan 0.000 0.432 28 Y N 0.194 120.497 120.300 0.006 0.000 2.114 28 Y HA -0.211 3.435 4.550 -1.506 0.000 0.282 28 Y C 2.327 178.227 175.900 -0.001 0.000 1.165 28 Y CA 2.140 60.240 58.100 0.001 0.000 1.148 28 Y CB -0.763 37.702 38.460 0.008 0.000 0.972 28 Y HN 0.251 nan 8.280 nan 0.000 0.504 29 G N -0.511 108.398 108.800 0.183 0.000 2.446 29 G HA2 -0.266 2.790 3.960 -1.507 0.000 0.217 29 G HA3 -0.266 2.790 3.960 -1.507 0.000 0.217 29 G C 1.441 176.344 174.900 0.005 0.000 1.168 29 G CA 1.038 46.201 45.100 0.105 0.000 0.771 29 G HN 0.340 nan 8.290 nan 0.000 0.551 30 Q N 0.203 119.999 119.800 -0.006 0.000 2.016 30 Q HA -0.029 3.406 4.340 -1.507 0.000 0.200 30 Q C 3.018 178.971 176.000 -0.079 0.000 0.978 30 Q CA 1.095 56.879 55.803 -0.032 0.000 0.833 30 Q CB -1.091 27.637 28.738 -0.017 0.000 0.895 30 Q HN 0.379 nan 8.270 nan 0.000 0.427 31 V N 1.578 121.424 119.914 -0.112 0.000 2.469 31 V HA -0.249 2.966 4.120 -1.507 0.000 0.251 31 V C 2.320 178.270 176.094 -0.242 0.000 1.064 31 V CA 1.995 64.196 62.300 -0.164 0.000 1.066 31 V CB -0.575 31.140 31.823 -0.180 0.000 0.667 31 V HN 0.430 nan 8.190 nan 0.000 0.461 32 E N 0.456 120.489 120.200 -0.280 0.000 2.028 32 E HA -0.216 3.229 4.350 -1.507 0.000 0.191 32 E C 2.297 178.781 176.600 -0.194 0.000 0.988 32 E CA 1.327 57.556 56.400 -0.285 0.000 0.799 32 E CB -0.270 29.304 29.700 -0.209 0.000 0.755 32 E HN 0.546 nan 8.360 nan 0.000 0.447 33 A N 0.597 123.349 122.820 -0.113 0.000 1.940 33 A HA -0.131 3.285 4.320 -1.507 0.000 0.219 33 A C 2.345 179.876 177.584 -0.089 0.000 1.176 33 A CA 1.810 53.803 52.037 -0.073 0.000 0.631 33 A CB -1.044 17.932 19.000 -0.040 0.000 0.814 33 A HN 0.456 nan 8.150 nan 0.000 0.446 34 G N -1.026 107.709 108.800 -0.109 0.000 2.572 34 G HA2 0.092 3.148 3.960 -1.507 0.000 0.216 34 G HA3 0.092 3.148 3.960 -1.507 0.000 0.216 34 G C 1.432 176.253 174.900 -0.132 0.000 1.133 34 G CA 0.666 45.707 45.100 -0.098 0.000 0.791 34 G HN 0.430 nan 8.290 nan 0.000 0.538 35 L N -0.465 120.624 121.223 -0.224 0.000 2.209 35 L HA 0.053 3.489 4.340 -1.507 0.000 0.207 35 L C 2.847 179.573 176.870 -0.240 0.000 1.094 35 L CA 0.573 55.221 54.840 -0.320 0.000 0.790 35 L CB -0.147 41.516 42.059 -0.661 0.000 0.932 35 L HN 0.201 nan 8.230 nan 0.000 0.447 36 Q N 0.042 119.733 119.800 -0.183 0.000 2.488 36 Q HA -0.025 3.411 4.340 -1.507 0.000 0.211 36 Q C 0.375 176.368 176.000 -0.011 0.000 0.967 36 Q CA 0.612 56.397 55.803 -0.029 0.000 0.926 36 Q CB 0.158 28.899 28.738 0.004 0.000 0.992 36 Q HN 0.529 nan 8.270 nan 0.000 0.506 37 N N -0.790 117.888 118.700 -0.037 0.000 2.377 37 N HA 0.190 4.026 4.740 -1.507 0.000 0.259 37 N C 0.103 175.598 175.510 -0.024 0.000 1.332 37 N CA 0.568 53.606 53.050 -0.020 0.000 0.877 37 N CB 1.993 40.468 38.487 -0.019 0.000 1.299 37 N HN 0.212 nan 8.380 nan 0.000 0.501 38 G N 0.453 109.234 108.800 -0.033 0.000 2.246 38 G HA2 0.079 3.134 3.960 -1.507 0.000 0.196 38 G HA3 0.079 3.134 3.960 -1.507 0.000 0.196 38 G C 0.300 175.167 174.900 -0.057 0.000 1.180 38 G CA 0.136 45.216 45.100 -0.033 0.000 1.291 38 G HN 0.881 nan 8.290 nan 0.000 0.508 39 V N -0.124 119.760 119.914 -0.049 0.000 6.110 39 V HA 0.251 3.467 4.120 -1.507 0.000 0.322 39 V C 2.672 178.715 176.094 -0.084 0.000 0.518 39 V CA 3.072 65.338 62.300 -0.056 0.000 0.655 39 V CB -2.537 29.236 31.823 -0.084 0.000 0.283 39 V HN 2.962 nan 8.190 nan 0.000 0.990 40 T N -0.093 114.412 114.554 -0.081 0.000 2.481 40 T HA 0.069 3.514 4.350 -1.507 0.000 0.252 40 T C 0.962 175.512 174.700 -0.250 0.000 1.242 40 T CA 3.127 65.139 62.100 -0.146 0.000 1.170 40 T CB 0.043 68.835 68.868 -0.126 0.000 0.860 40 T HN 2.198 nan 8.240 nan 0.000 0.422 41 L N 0.113 121.161 121.223 -0.291 0.000 2.330 41 L HA 0.681 4.117 4.340 -1.507 0.000 0.271 41 L C -1.067 175.679 176.870 -0.208 0.000 1.013 41 L CA -0.937 53.641 54.840 -0.438 0.000 0.816 41 L CB 2.607 44.167 42.059 -0.833 0.000 1.287 41 L HN 0.181 nan 8.230 nan 0.000 0.435 42 V N 3.612 123.442 119.914 -0.140 0.000 2.588 42 V HA 0.515 3.730 4.120 -1.507 0.000 0.304 42 V C -0.772 175.425 176.094 0.172 0.000 1.042 42 V CA -0.557 61.779 62.300 0.060 0.000 0.877 42 V CB 1.670 33.486 31.823 -0.012 0.000 0.996 42 V HN 0.853 nan 8.190 nan 0.000 0.425 43 Q N 4.423 124.397 119.800 0.289 0.000 2.353 43 Q HA 0.670 4.105 4.340 -1.507 0.000 0.268 43 Q C -1.736 174.351 176.000 0.144 0.000 1.045 43 Q CA -0.606 55.356 55.803 0.266 0.000 0.811 43 Q CB 2.226 31.168 28.738 0.340 0.000 1.305 43 Q HN 0.735 nan 8.270 nan 0.000 0.447 44 I N 3.897 124.559 120.570 0.153 0.000 2.404 44 I HA 0.489 3.754 4.170 -1.507 0.000 0.293 44 I C -0.299 175.907 176.117 0.148 0.000 0.992 44 I CA -0.724 60.650 61.300 0.122 0.000 1.149 44 I CB 1.658 39.756 38.000 0.163 0.000 1.315 44 I HN 0.707 nan 8.210 nan 0.000 0.446 45 R N 4.797 125.315 120.500 0.029 0.000 2.960 45 R HA 0.751 4.187 4.340 -1.507 0.000 0.249 45 R C -1.175 174.968 176.300 -0.262 0.000 1.192 45 R CA -0.977 55.126 56.100 0.004 0.000 1.035 45 R CB 1.612 31.914 30.300 0.004 0.000 1.234 45 R HN 0.322 nan 8.270 nan 0.000 0.493 46 E N -0.340 119.725 120.200 -0.225 0.000 3.311 46 E HA 0.101 3.547 4.350 -1.507 0.000 0.384 46 E C -1.089 175.474 176.600 -0.062 0.000 0.981 46 E CA -0.110 56.107 56.400 -0.306 0.000 0.754 46 E CB 1.468 30.667 29.700 -0.835 0.000 1.369 46 E HN 0.741 nan 8.360 nan 0.000 0.448 47 K N 1.030 121.423 120.400 -0.012 0.000 2.373 47 K HA 0.180 3.595 4.320 -1.507 0.000 0.202 47 K C 0.469 177.091 176.600 0.037 0.000 1.025 47 K CA 0.578 56.890 56.287 0.041 0.000 1.115 47 K CB 0.390 32.912 32.500 0.037 0.000 0.858 47 K HN 0.187 nan 8.250 nan 0.000 0.525 48 D N -1.479 118.933 120.400 0.021 0.000 2.335 48 D HA 0.254 3.990 4.640 -1.507 0.000 0.284 48 D C 0.899 177.215 176.300 0.027 0.000 1.096 48 D CA 0.620 54.632 54.000 0.021 0.000 0.844 48 D CB 0.626 41.428 40.800 0.004 0.000 1.454 48 D HN 0.430 nan 8.370 nan 0.000 0.526 49 A N 0.763 123.604 122.820 0.036 0.000 2.296 49 A HA 0.331 3.747 4.320 -1.507 0.000 0.276 49 A C 0.031 177.683 177.584 0.112 0.000 1.356 49 A CA -0.122 51.952 52.037 0.061 0.000 0.825 49 A CB 0.249 19.320 19.000 0.118 0.000 1.308 49 A HN -0.167 nan 8.150 nan 0.000 0.515 50 D N -0.649 119.839 120.400 0.147 0.000 2.225 50 D HA 0.356 4.092 4.640 -1.507 0.000 0.249 50 D C 0.787 177.240 176.300 0.254 0.000 1.052 50 D CA 0.027 54.126 54.000 0.164 0.000 0.909 50 D CB 1.294 42.173 40.800 0.131 0.000 1.186 50 D HN 0.422 nan 8.370 nan 0.000 0.431 51 T N 0.719 115.399 114.554 0.210 0.000 3.051 51 T HA -0.129 3.317 4.350 -1.507 0.000 0.269 51 T C 1.574 176.390 174.700 0.193 0.000 1.127 51 T CA 0.880 63.112 62.100 0.221 0.000 1.107 51 T CB 0.309 69.248 68.868 0.119 0.000 0.898 51 T HN 0.374 nan 8.240 nan 0.000 0.517 52 K N 0.256 120.769 120.400 0.188 0.000 2.168 52 K HA 0.079 3.495 4.320 -1.507 0.000 0.201 52 K C 1.940 178.658 176.600 0.197 0.000 1.049 52 K CA 0.288 56.666 56.287 0.152 0.000 0.974 52 K CB -0.198 32.374 32.500 0.121 0.000 0.792 52 K HN 0.278 nan 8.250 nan 0.000 0.463 53 F N 1.222 121.239 119.950 0.111 0.000 2.171 53 F HA -0.154 3.469 4.527 -1.508 0.000 0.300 53 F C 1.767 177.670 175.800 0.171 0.000 1.090 53 F CA 0.954 59.016 58.000 0.103 0.000 1.293 53 F CB -0.300 38.739 39.000 0.065 0.000 1.013 53 F HN 0.036 nan 8.300 nan 0.000 0.486 54 F N 1.508 121.454 119.950 -0.005 0.000 2.043 54 F HA -0.266 3.357 4.527 -1.507 0.000 0.297 54 F C 2.196 177.910 175.800 -0.142 0.000 1.121 54 F CA 1.851 59.798 58.000 -0.088 0.000 1.199 54 F CB -1.101 37.919 39.000 0.034 0.000 0.968 54 F HN 0.008 nan 8.300 nan 0.000 0.478 55 I N -0.067 120.598 120.570 0.159 0.000 2.264 55 I HA -0.308 2.958 4.170 -1.507 0.000 0.248 55 I C 2.232 178.345 176.117 -0.006 0.000 1.111 55 I CA 1.692 62.999 61.300 0.012 0.000 1.382 55 I CB -0.608 37.378 38.000 -0.024 0.000 1.060 55 I HN 0.256 nan 8.210 nan 0.000 0.418 56 E N 0.423 120.597 120.200 -0.043 0.000 2.106 56 E HA -0.236 3.210 4.350 -1.507 0.000 0.192 56 E C 2.075 178.602 176.600 -0.123 0.000 0.984 56 E CA 0.906 57.261 56.400 -0.075 0.000 0.806 56 E CB -0.029 29.632 29.700 -0.065 0.000 0.750 56 E HN 0.456 nan 8.360 nan 0.000 0.458 57 E N 0.397 120.450 120.200 -0.245 0.000 2.107 57 E HA -0.137 3.308 4.350 -1.507 0.000 0.191 57 E C 2.013 178.587 176.600 -0.043 0.000 0.982 57 E CA 0.721 56.987 56.400 -0.224 0.000 0.809 57 E CB 0.026 29.457 29.700 -0.447 0.000 0.756 57 E HN 0.209 nan 8.360 nan 0.000 0.459 58 A N 1.011 123.852 122.820 0.035 0.000 1.877 58 A HA -0.160 3.256 4.320 -1.507 0.000 0.216 58 A C 2.151 179.744 177.584 0.015 0.000 1.186 58 A CA 1.055 53.136 52.037 0.074 0.000 0.620 58 A CB -0.658 18.407 19.000 0.108 0.000 0.822 58 A HN 0.246 nan 8.150 nan 0.000 0.443 59 L N -0.959 120.262 121.223 -0.003 0.000 2.017 59 L HA -0.248 3.188 4.340 -1.507 0.000 0.208 59 L C 2.905 179.777 176.870 0.003 0.000 1.073 59 L CA 1.814 56.645 54.840 -0.015 0.000 0.745 59 L CB -0.636 41.414 42.059 -0.013 0.000 0.894 59 L HN 0.555 nan 8.230 nan 0.000 0.432 60 Q N 0.316 120.128 119.800 0.021 0.000 2.135 60 Q HA -0.225 3.211 4.340 -1.507 0.000 0.204 60 Q C 2.213 178.310 176.000 0.160 0.000 0.981 60 Q CA 1.616 57.464 55.803 0.076 0.000 0.856 60 Q CB 0.047 28.820 28.738 0.058 0.000 0.902 60 Q HN 0.568 nan 8.270 nan 0.000 0.425 61 I N -0.223 120.403 120.570 0.092 0.000 2.852 61 I HA -0.140 3.126 4.170 -1.507 0.000 0.264 61 I C 2.318 178.425 176.117 -0.017 0.000 1.179 61 I CA 0.375 61.703 61.300 0.046 0.000 1.480 61 I CB -0.151 37.858 38.000 0.016 0.000 1.111 61 I HN 0.161 nan 8.210 nan 0.000 0.441 62 K N 1.457 121.825 120.400 -0.054 0.000 2.057 62 K HA -0.203 3.212 4.320 -1.507 0.000 0.207 62 K C 1.868 178.343 176.600 -0.208 0.000 1.049 62 K CA 1.442 57.614 56.287 -0.192 0.000 0.931 62 K CB 0.082 32.429 32.500 -0.255 0.000 0.714 62 K HN 0.269 nan 8.250 nan 0.000 0.440 63 E N 0.751 120.913 120.200 -0.063 0.000 2.085 63 E HA -0.219 3.227 4.350 -1.507 0.000 0.194 63 E C 2.083 178.742 176.600 0.099 0.000 0.994 63 E CA 1.055 57.473 56.400 0.031 0.000 0.801 63 E CB -0.069 29.676 29.700 0.074 0.000 0.743 63 E HN 0.320 nan 8.360 nan 0.000 0.453 64 L N 0.473 121.758 121.223 0.103 0.000 1.989 64 L HA -0.256 3.179 4.340 -1.507 0.000 0.211 64 L C 2.494 179.450 176.870 0.144 0.000 1.071 64 L CA 1.364 56.260 54.840 0.095 0.000 0.749 64 L CB -0.275 41.699 42.059 -0.141 0.000 0.890 64 L HN 0.372 nan 8.230 nan 0.000 0.431 65 C N -0.874 118.466 119.300 0.067 0.000 2.436 65 C HA -0.190 3.365 4.460 -1.507 0.000 0.277 65 C C 2.594 177.743 174.990 0.264 0.000 1.241 65 C CA 0.556 59.637 59.018 0.106 0.000 1.721 65 C CB -1.365 26.401 27.740 0.045 0.000 2.043 65 C HN 0.577 nan 8.230 nan 0.000 0.472 66 H N 1.095 120.229 119.070 0.106 0.000 2.387 66 H HA -0.066 3.585 4.556 -1.508 0.000 0.299 66 H C 2.360 177.738 175.328 0.085 0.000 1.099 66 H CA 1.764 57.888 56.048 0.125 0.000 1.315 66 H CB -0.895 28.925 29.762 0.095 0.000 1.380 66 H HN 0.493 nan 8.280 nan 0.000 0.513 67 A N 0.301 123.245 122.820 0.206 0.000 1.948 67 A HA -0.223 3.192 4.320 -1.507 0.000 0.220 67 A C 1.383 178.939 177.584 -0.047 0.000 1.177 67 A CA 1.956 54.032 52.037 0.065 0.000 0.636 67 A CB -0.600 18.436 19.000 0.060 0.000 0.815 67 A HN 0.534 nan 8.150 nan 0.000 0.449 68 H N -1.694 117.406 119.070 0.049 0.000 2.519 68 H HA 0.195 3.848 4.556 -1.506 0.000 0.289 68 H C 0.515 175.863 175.328 0.033 0.000 1.040 68 H CA 0.299 56.360 56.048 0.022 0.000 1.165 68 H CB -0.117 29.640 29.762 -0.008 0.000 1.462 68 H HN 0.585 nan 8.280 nan 0.000 0.555 69 N N 0.461 119.255 118.700 0.155 0.000 2.725 69 N HA -0.185 3.650 4.740 -1.507 0.000 0.251 69 N C -1.040 174.602 175.510 0.221 0.000 1.031 69 N CA 0.773 53.938 53.050 0.192 0.000 0.720 69 N CB -1.059 37.483 38.487 0.092 0.000 0.930 69 N HN 0.280 nan 8.380 nan 0.000 0.543 70 V N -0.458 119.527 119.914 0.118 0.000 2.588 70 V HA 0.830 4.046 4.120 -1.507 0.000 0.304 70 V C -2.415 173.450 176.094 -0.381 0.000 1.042 70 V CA -1.855 60.304 62.300 -0.236 0.000 0.877 70 V CB 2.107 33.824 31.823 -0.176 0.000 0.996 70 V HN 0.047 nan 8.190 nan 0.000 0.425 71 P HA 0.314 nan 4.420 nan 0.000 0.270 71 P C -1.165 175.979 177.300 -0.259 0.000 1.223 71 P CA -0.206 62.421 63.100 -0.789 0.000 0.785 71 P CB 0.591 31.455 31.700 -1.393 0.000 0.923 72 L N 2.660 123.868 121.223 -0.025 0.000 2.333 72 L HA 0.518 3.954 4.340 -1.507 0.000 0.280 72 L C -1.070 175.867 176.870 0.112 0.000 1.004 72 L CA -0.311 54.547 54.840 0.030 0.000 0.820 72 L CB 0.568 42.642 42.059 0.025 0.000 1.247 72 L HN 0.223 nan 8.230 nan 0.000 0.416 73 I N 5.623 126.284 120.570 0.151 0.000 2.525 73 I HA 0.462 3.727 4.170 -1.507 0.000 0.301 73 I C -0.496 175.762 176.117 0.234 0.000 0.992 73 I CA -0.669 60.773 61.300 0.237 0.000 1.162 73 I CB 1.963 40.168 38.000 0.342 0.000 1.332 73 I HN 0.541 nan 8.210 nan 0.000 0.458 74 I N 5.151 125.859 120.570 0.229 0.000 2.569 74 I HA 0.364 3.630 4.170 -1.507 0.000 0.296 74 I C -0.621 175.640 176.117 0.240 0.000 1.028 74 I CA -0.545 60.887 61.300 0.220 0.000 1.082 74 I CB 2.170 40.252 38.000 0.137 0.000 1.264 74 I HN 0.647 nan 8.210 nan 0.000 0.429 75 N N 4.003 122.861 118.700 0.264 0.000 2.369 75 N HA 0.209 4.045 4.740 -1.507 0.000 0.287 75 N C -1.514 174.150 175.510 0.256 0.000 1.067 75 N CA -0.524 52.677 53.050 0.251 0.000 0.888 75 N CB 2.402 41.048 38.487 0.265 0.000 1.616 75 N HN 0.670 nan 8.380 nan 0.000 0.482 76 D N 1.519 122.045 120.400 0.210 0.000 2.538 76 D HA 0.144 3.880 4.640 -1.507 0.000 0.231 76 D C -0.455 175.911 176.300 0.109 0.000 1.229 76 D CA -0.298 53.800 54.000 0.162 0.000 0.828 76 D CB 0.163 41.053 40.800 0.150 0.000 1.035 76 D HN 0.337 nan 8.370 nan 0.000 0.495 77 R N 0.985 121.539 120.500 0.090 0.000 2.325 77 R HA 0.317 3.753 4.340 -1.507 0.000 0.323 77 R C 0.878 177.164 176.300 -0.023 0.000 1.177 77 R CA -0.220 55.884 56.100 0.007 0.000 1.018 77 R CB 0.546 30.801 30.300 -0.076 0.000 1.070 77 R HN 0.247 nan 8.270 nan 0.000 0.495 78 I N 1.984 122.556 120.570 0.003 0.000 2.208 78 I HA -0.354 2.912 4.170 -1.507 0.000 0.245 78 I C 1.829 177.933 176.117 -0.022 0.000 1.097 78 I CA 1.437 62.737 61.300 -0.000 0.000 1.363 78 I CB -0.211 37.792 38.000 0.004 0.000 1.051 78 I HN 0.586 nan 8.210 nan 0.000 0.413 79 D N 1.073 121.453 120.400 -0.033 0.000 2.104 79 D HA -0.162 3.573 4.640 -1.507 0.000 0.194 79 D C 2.069 178.325 176.300 -0.074 0.000 0.994 79 D CA 1.301 55.275 54.000 -0.043 0.000 0.830 79 D CB -1.090 39.689 40.800 -0.036 0.000 0.959 79 D HN 0.211 nan 8.370 nan 0.000 0.452 80 V N 1.204 121.037 119.914 -0.135 0.000 2.392 80 V HA -0.235 2.980 4.120 -1.507 0.000 0.249 80 V C 2.793 178.804 176.094 -0.138 0.000 1.059 80 V CA 1.856 64.030 62.300 -0.209 0.000 1.051 80 V CB -1.085 30.456 31.823 -0.470 0.000 0.658 80 V HN 0.432 nan 8.190 nan 0.000 0.455 81 A N -0.314 122.453 122.820 -0.089 0.000 1.865 81 A HA -0.261 3.155 4.320 -1.507 0.000 0.217 81 A C 2.251 179.832 177.584 -0.005 0.000 1.191 81 A CA 2.400 54.423 52.037 -0.023 0.000 0.623 81 A CB -0.492 18.517 19.000 0.015 0.000 0.826 81 A HN 0.490 nan 8.150 nan 0.000 0.444 82 M N -0.556 119.039 119.600 -0.009 0.000 2.117 82 M HA -0.138 3.438 4.480 -1.507 0.000 0.262 82 M C 2.536 178.833 176.300 -0.005 0.000 1.065 82 M CA 1.450 56.751 55.300 0.001 0.000 1.114 82 M CB -0.470 32.128 32.600 -0.003 0.000 1.361 82 M HN 0.479 nan 8.290 nan 0.000 0.408 83 A N 0.932 123.738 122.820 -0.024 0.000 1.940 83 A HA -0.146 3.270 4.320 -1.507 0.000 0.219 83 A C 1.945 179.518 177.584 -0.019 0.000 1.176 83 A CA 1.794 53.816 52.037 -0.025 0.000 0.631 83 A CB -0.974 18.001 19.000 -0.043 0.000 0.814 83 A HN 0.722 nan 8.150 nan 0.000 0.446 84 I N -4.608 115.947 120.570 -0.024 0.000 3.928 84 I HA 0.510 3.776 4.170 -1.507 0.000 0.335 84 I C 0.965 177.088 176.117 0.010 0.000 1.325 84 I CA 0.397 61.688 61.300 -0.014 0.000 1.107 84 I CB -0.179 37.803 38.000 -0.030 0.000 1.014 84 I HN 0.331 nan 8.210 nan 0.000 0.400 85 G N 2.073 110.889 108.800 0.026 0.000 2.351 85 G HA2 -0.128 2.928 3.960 -1.507 0.000 0.297 85 G HA3 -0.128 2.928 3.960 -1.507 0.000 0.297 85 G C 0.270 175.224 174.900 0.090 0.000 1.054 85 G CA 0.128 45.264 45.100 0.059 0.000 1.123 85 G HN 0.951 nan 8.290 nan 0.000 0.512 86 A N -0.396 122.474 122.820 0.083 0.000 2.272 86 A HA 0.666 4.082 4.320 -1.507 0.000 0.275 86 A C 1.146 178.836 177.584 0.175 0.000 1.096 86 A CA 0.312 52.417 52.037 0.113 0.000 0.822 86 A CB 0.529 19.583 19.000 0.090 0.000 1.088 86 A HN 0.283 nan 8.150 nan 0.000 0.495 87 D N -0.389 120.148 120.400 0.228 0.000 2.367 87 D HA 0.310 4.046 4.640 -1.507 0.000 0.207 87 D C 0.684 177.189 176.300 0.340 0.000 1.034 87 D CA 1.466 55.655 54.000 0.316 0.000 0.861 87 D CB 0.611 41.607 40.800 0.326 0.000 0.943 87 D HN 0.780 nan 8.370 nan 0.000 0.515 88 G N 0.770 109.723 108.800 0.255 0.000 2.368 88 G HA2 0.463 3.518 3.960 -1.507 0.000 0.293 88 G HA3 0.463 3.518 3.960 -1.507 0.000 0.293 88 G C -1.734 173.291 174.900 0.209 0.000 1.467 88 G CA -0.850 44.380 45.100 0.217 0.000 0.804 88 G HN 0.098 nan 8.290 nan 0.000 0.535 89 I N -1.963 118.720 120.570 0.188 0.000 2.647 89 I HA 0.816 4.082 4.170 -1.507 0.000 0.295 89 I C -1.094 175.157 176.117 0.223 0.000 1.078 89 I CA -1.173 60.242 61.300 0.192 0.000 1.048 89 I CB 2.523 40.590 38.000 0.112 0.000 1.239 89 I HN 0.657 nan 8.210 nan 0.000 0.421 90 H N 4.863 124.044 119.070 0.185 0.000 2.469 90 H HA 0.806 4.458 4.556 -1.507 0.000 0.342 90 H C -1.046 174.362 175.328 0.133 0.000 1.115 90 H CA -0.465 55.681 56.048 0.163 0.000 1.204 90 H CB 1.798 31.706 29.762 0.243 0.000 1.492 90 H HN 0.690 nan 8.280 nan 0.000 0.499 91 V N 2.516 122.386 119.914 -0.072 0.000 3.040 91 V HA 0.866 4.081 4.120 -1.507 0.000 0.312 91 V C 0.298 176.483 176.094 0.152 0.000 1.115 91 V CA -0.328 62.046 62.300 0.124 0.000 0.998 91 V CB 1.609 33.498 31.823 0.110 0.000 1.042 91 V HN 0.885 nan 8.190 nan 0.000 0.433 92 G N 0.512 109.426 108.800 0.188 0.000 2.568 92 G HA2 0.446 3.501 3.960 -1.507 0.000 0.293 92 G HA3 0.446 3.501 3.960 -1.507 0.000 0.293 92 G C 0.087 175.043 174.900 0.093 0.000 1.347 92 G CA -0.043 45.121 45.100 0.106 0.000 1.039 92 G HN 0.867 nan 8.290 nan 0.000 0.523 93 Q N -1.132 118.638 119.800 -0.050 0.000 2.297 93 Q HA 0.004 3.440 4.340 -1.507 0.000 0.204 93 Q C 0.939 176.993 176.000 0.089 0.000 0.962 93 Q CA 1.338 57.112 55.803 -0.048 0.000 0.879 93 Q CB 0.224 28.859 28.738 -0.173 0.000 0.947 93 Q HN 0.494 nan 8.270 nan 0.000 0.462 94 D N 0.274 120.717 120.400 0.072 0.000 2.424 94 D HA 0.095 3.831 4.640 -1.507 0.000 0.220 94 D C -0.544 175.808 176.300 0.086 0.000 1.150 94 D CA 0.048 54.092 54.000 0.073 0.000 0.831 94 D CB 0.314 41.142 40.800 0.047 0.000 0.981 94 D HN 0.207 nan 8.370 nan 0.000 0.500 95 D N 0.020 120.491 120.400 0.118 0.000 2.567 95 D HA 0.161 3.897 4.640 -1.507 0.000 0.275 95 D C 0.532 176.890 176.300 0.097 0.000 1.195 95 D CA -0.667 53.396 54.000 0.106 0.000 1.087 95 D CB 0.768 41.640 40.800 0.120 0.000 1.165 95 D HN -0.060 nan 8.370 nan 0.000 0.609 96 M N 1.402 121.044 119.600 0.069 0.000 2.284 96 M HA 0.124 3.700 4.480 -1.507 0.000 0.351 96 M C -2.302 174.010 176.300 0.021 0.000 1.443 96 M CA -0.492 54.830 55.300 0.038 0.000 1.031 96 M CB 0.539 33.151 32.600 0.020 0.000 1.893 96 M HN -0.096 nan 8.290 nan 0.000 0.456 97 P HA -0.095 nan 4.420 nan 0.000 0.264 97 P C 0.559 177.789 177.300 -0.116 0.000 1.179 97 P CA -0.103 62.976 63.100 -0.034 0.000 0.763 97 P CB 0.324 32.010 31.700 -0.024 0.000 0.806 98 I N 5.095 125.522 120.570 -0.239 0.000 2.179 98 I HA -0.123 3.143 4.170 -1.507 0.000 0.242 98 I C -0.580 175.413 176.117 -0.208 0.000 1.088 98 I CA 1.876 62.987 61.300 -0.315 0.000 1.357 98 I CB -2.644 35.014 38.000 -0.570 0.000 1.051 98 I HN 0.384 nan 8.210 nan 0.000 0.409 99 P HA -0.218 nan 4.420 nan 0.000 0.215 99 P C 2.063 179.308 177.300 -0.092 0.000 1.163 99 P CA 1.870 64.895 63.100 -0.124 0.000 0.894 99 P CB -0.190 31.449 31.700 -0.102 0.000 0.791 100 M N -1.292 118.262 119.600 -0.077 0.000 2.106 100 M HA -0.168 3.408 4.480 -1.507 0.000 0.259 100 M C 2.396 178.664 176.300 -0.054 0.000 1.068 100 M CA 1.855 57.123 55.300 -0.054 0.000 1.100 100 M CB -0.875 31.702 32.600 -0.039 0.000 1.351 100 M HN -0.107 nan 8.290 nan 0.000 0.404 101 I N -0.714 119.815 120.570 -0.069 0.000 2.202 101 I HA -0.265 3.001 4.170 -1.507 0.000 0.242 101 I C 2.650 178.731 176.117 -0.059 0.000 1.091 101 I CA 1.031 62.295 61.300 -0.060 0.000 1.368 101 I CB -0.533 37.421 38.000 -0.077 0.000 1.058 101 I HN 0.239 nan 8.210 nan 0.000 0.410 102 R N 1.818 122.270 120.500 -0.080 0.000 2.091 102 R HA -0.180 3.256 4.340 -1.507 0.000 0.238 102 R C 2.140 178.407 176.300 -0.056 0.000 1.136 102 R CA 1.640 57.696 56.100 -0.075 0.000 0.959 102 R CB -0.543 29.698 30.300 -0.098 0.000 0.856 102 R HN 0.219 nan 8.270 nan 0.000 0.437 103 K N -0.078 120.290 120.400 -0.054 0.000 2.152 103 K HA -0.101 3.315 4.320 -1.507 0.000 0.206 103 K C 1.760 178.342 176.600 -0.030 0.000 1.048 103 K CA 1.530 57.792 56.287 -0.041 0.000 0.933 103 K CB -0.037 32.440 32.500 -0.039 0.000 0.721 103 K HN 0.250 nan 8.250 nan 0.000 0.447 104 L N 0.128 121.334 121.223 -0.028 0.000 2.168 104 L HA -0.051 3.385 4.340 -1.507 0.000 0.203 104 L C 2.287 179.149 176.870 -0.014 0.000 1.078 104 L CA 0.502 55.330 54.840 -0.019 0.000 0.780 104 L CB -0.414 41.636 42.059 -0.016 0.000 0.939 104 L HN 0.027 nan 8.230 nan 0.000 0.451 105 V N -2.313 117.593 119.914 -0.014 0.000 3.235 105 V HA 0.394 3.610 4.120 -1.507 0.000 0.259 105 V C 1.120 177.212 176.094 -0.003 0.000 1.133 105 V CA 0.082 62.379 62.300 -0.004 0.000 1.128 105 V CB -1.298 30.526 31.823 0.001 0.000 0.757 105 V HN 0.460 nan 8.190 nan 0.000 0.469 106 G N 1.007 109.798 108.800 -0.015 0.000 2.881 106 G HA2 -0.153 2.903 3.960 -1.507 0.000 0.681 106 G HA3 -0.153 2.903 3.960 -1.507 0.000 0.681 106 G C -2.048 172.844 174.900 -0.014 0.000 1.567 106 G CA -0.347 44.744 45.100 -0.016 0.000 1.013 106 G HN 0.549 nan 8.290 nan 0.000 0.580 107 P HA 0.220 nan 4.420 nan 0.000 0.272 107 P C 0.663 177.966 177.300 0.005 0.000 1.239 107 P CA 1.102 64.192 63.100 -0.018 0.000 0.807 107 P CB 0.201 31.888 31.700 -0.022 0.000 0.951 108 D N -3.907 116.501 120.400 0.015 0.000 2.001 108 D HA -0.155 3.581 4.640 -1.507 0.000 0.175 108 D C 0.247 176.588 176.300 0.068 0.000 1.313 108 D CA 1.311 55.339 54.000 0.046 0.000 1.259 108 D CB -1.453 39.377 40.800 0.050 0.000 1.284 108 D HN 0.362 nan 8.370 nan 0.000 0.549 109 M N 1.732 121.360 119.600 0.048 0.000 2.233 109 M HA 0.403 3.979 4.480 -1.507 0.000 0.355 109 M C -0.428 175.879 176.300 0.013 0.000 1.191 109 M CA -0.619 54.718 55.300 0.062 0.000 1.101 109 M CB 1.397 34.033 32.600 0.060 0.000 1.592 109 M HN -0.175 nan 8.290 nan 0.000 0.461 110 V N 6.554 126.456 119.914 -0.020 0.000 2.572 110 V HA 0.157 3.372 4.120 -1.507 0.000 0.291 110 V C 0.117 176.221 176.094 0.017 0.000 1.039 110 V CA 0.211 62.449 62.300 -0.104 0.000 1.055 110 V CB 0.566 32.123 31.823 -0.443 0.000 0.969 110 V HN 0.694 nan 8.190 nan 0.000 0.482 111 I N 4.433 124.999 120.570 -0.007 0.000 2.382 111 I HA 0.463 3.728 4.170 -1.507 0.000 0.285 111 I C 0.744 176.727 176.117 -0.224 0.000 1.007 111 I CA -0.165 61.094 61.300 -0.068 0.000 1.142 111 I CB 1.560 39.492 38.000 -0.113 0.000 1.289 111 I HN 0.719 nan 8.210 nan 0.000 0.453 112 G N 5.240 113.810 108.800 -0.383 0.000 2.367 112 G HA2 0.398 3.454 3.960 -1.507 0.000 0.314 112 G HA3 0.398 3.454 3.960 -1.507 0.000 0.314 112 G C -2.006 172.406 174.900 -0.814 0.000 1.130 112 G CA -0.185 44.242 45.100 -1.122 0.000 0.864 112 G HN 0.530 nan 8.290 nan 0.000 0.486 113 W N 1.616 122.385 121.300 -0.885 0.000 2.839 113 W HA 0.556 4.315 4.660 -1.502 0.000 0.334 113 W C -0.212 176.113 176.519 -0.323 0.000 1.064 113 W CA -1.270 55.738 57.345 -0.561 0.000 1.236 113 W CB 1.945 31.225 29.460 -0.299 0.000 1.405 113 W HN 0.429 nan 8.180 nan 0.000 0.478 114 S N 3.123 118.669 115.700 -0.257 0.000 2.488 114 S HA 0.476 4.042 4.470 -1.507 0.000 0.278 114 S C -0.559 173.769 174.600 -0.453 0.000 1.259 114 S CA -0.300 57.807 58.200 -0.154 0.000 1.061 114 S CB 0.464 63.656 63.200 -0.013 0.000 0.910 114 S HN 0.227 nan 8.310 nan 0.000 0.491 115 V N 2.622 122.354 119.914 -0.303 0.000 2.623 115 V HA 0.629 3.845 4.120 -1.507 0.000 0.304 115 V C 0.810 176.750 176.094 -0.256 0.000 1.054 115 V CA -0.609 61.484 62.300 -0.346 0.000 0.882 115 V CB 1.892 33.557 31.823 -0.263 0.000 1.002 115 V HN 0.955 nan 8.190 nan 0.000 0.424 116 G N 2.903 111.543 108.800 -0.268 0.000 3.104 116 G HA2 0.380 3.435 3.960 -1.507 0.000 0.237 116 G HA3 0.380 3.435 3.960 -1.507 0.000 0.237 116 G C -0.259 174.174 174.900 -0.778 0.000 1.035 116 G CA 0.212 45.015 45.100 -0.494 0.000 0.844 116 G HN 0.421 nan 8.290 nan 0.000 0.531 117 F N -1.091 118.777 119.950 -0.136 0.000 2.599 117 F HA 0.438 4.068 4.527 -1.495 0.000 0.311 117 F C -1.947 173.801 175.800 -0.087 0.000 1.076 117 F CA -2.189 55.751 58.000 -0.100 0.000 0.937 117 F CB 2.211 41.158 39.000 -0.089 0.000 1.282 117 F HN -0.239 nan 8.300 nan 0.000 0.460 118 P HA -0.131 nan 4.420 nan 0.000 0.215 118 P C 1.014 178.353 177.300 0.065 0.000 1.153 118 P CA 1.528 64.663 63.100 0.057 0.000 0.853 118 P CB 0.287 32.015 31.700 0.047 0.000 0.788 119 E N 0.076 120.324 120.200 0.079 0.000 2.147 119 E HA -0.231 3.215 4.350 -1.507 0.000 0.199 119 E C 1.755 178.395 176.600 0.065 0.000 1.005 119 E CA 1.475 57.904 56.400 0.048 0.000 0.810 119 E CB -0.780 28.921 29.700 0.002 0.000 0.736 119 E HN 0.482 nan 8.360 nan 0.000 0.460 120 E N -0.471 119.770 120.200 0.068 0.000 2.358 120 E HA -0.040 3.406 4.350 -1.507 0.000 0.195 120 E C 1.727 178.414 176.600 0.144 0.000 1.010 120 E CA 0.394 56.833 56.400 0.065 0.000 0.856 120 E CB 0.295 29.921 29.700 -0.123 0.000 0.795 120 E HN 0.082 nan 8.360 nan 0.000 0.504 121 V N 1.649 121.616 119.914 0.088 0.000 2.591 121 V HA -0.181 3.035 4.120 -1.507 0.000 0.249 121 V C 1.539 177.689 176.094 0.093 0.000 1.053 121 V CA 1.495 63.844 62.300 0.082 0.000 1.068 121 V CB -0.261 31.570 31.823 0.014 0.000 0.689 121 V HN 0.189 nan 8.190 nan 0.000 0.462 122 D N 0.374 120.824 120.400 0.083 0.000 2.104 122 D HA -0.189 3.547 4.640 -1.507 0.000 0.194 122 D C 2.162 178.527 176.300 0.109 0.000 0.994 122 D CA 1.463 55.511 54.000 0.079 0.000 0.830 122 D CB -0.150 40.686 40.800 0.060 0.000 0.959 122 D HN 0.528 nan 8.370 nan 0.000 0.452 123 E N 0.465 120.751 120.200 0.143 0.000 2.058 123 E HA -0.151 3.294 4.350 -1.507 0.000 0.194 123 E C 2.309 178.997 176.600 0.146 0.000 0.997 123 E CA 0.344 56.836 56.400 0.154 0.000 0.801 123 E CB -0.243 29.598 29.700 0.234 0.000 0.746 123 E HN 0.218 nan 8.360 nan 0.000 0.450 124 L N 0.639 122.002 121.223 0.234 0.000 2.189 124 L HA -0.224 3.212 4.340 -1.507 0.000 0.214 124 L C 2.015 179.020 176.870 0.225 0.000 1.097 124 L CA 1.321 56.278 54.840 0.194 0.000 0.764 124 L CB -0.018 42.218 42.059 0.295 0.000 0.900 124 L HN 0.019 nan 8.230 nan 0.000 0.436 125 S N -0.316 115.505 115.700 0.202 0.000 2.404 125 S HA -0.033 3.533 4.470 -1.507 0.000 0.223 125 S C 1.634 176.379 174.600 0.241 0.000 1.040 125 S CA 0.707 59.074 58.200 0.279 0.000 0.957 125 S CB 0.020 63.307 63.200 0.145 0.000 0.826 125 S HN 0.437 nan 8.310 nan 0.000 0.491 126 K N 1.211 121.690 120.400 0.131 0.000 2.519 126 K HA 0.104 3.520 4.320 -1.507 0.000 0.196 126 K C 1.409 178.029 176.600 0.032 0.000 1.041 126 K CA 0.724 57.056 56.287 0.075 0.000 0.954 126 K CB -0.221 32.309 32.500 0.049 0.000 0.774 126 K HN 0.418 nan 8.250 nan 0.000 0.480 127 M N 0.100 119.722 119.600 0.036 0.000 2.510 127 M HA 0.099 3.675 4.480 -1.507 0.000 0.256 127 M C 0.902 177.120 176.300 -0.137 0.000 1.132 127 M CA 0.274 55.544 55.300 -0.049 0.000 1.105 127 M CB 0.097 32.650 32.600 -0.077 0.000 1.375 127 M HN 0.257 nan 8.290 nan 0.000 0.477 128 G N 1.695 110.408 108.800 -0.146 0.000 2.804 128 G HA2 -0.194 2.862 3.960 -1.507 0.000 0.230 128 G HA3 -0.194 2.862 3.960 -1.507 0.000 0.230 128 G C -2.937 171.289 174.900 -1.123 0.000 1.386 128 G CA -1.171 43.567 45.100 -0.602 0.000 0.875 128 G HN 0.127 nan 8.290 nan 0.000 0.557 129 P HA 0.303 nan 4.420 nan 0.000 0.274 129 P C 0.400 177.310 177.300 -0.650 0.000 1.264 129 P CA 0.455 62.673 63.100 -1.470 0.000 0.795 129 P CB 0.127 31.255 31.700 -0.952 0.000 1.064 130 D N -1.506 118.642 120.400 -0.420 0.000 2.733 130 D HA -0.203 3.533 4.640 -1.507 0.000 0.228 130 D C 0.549 176.729 176.300 -0.200 0.000 1.182 130 D CA 0.944 54.815 54.000 -0.214 0.000 0.620 130 D CB -0.453 40.259 40.800 -0.148 0.000 1.027 130 D HN 0.126 nan 8.370 nan 0.000 0.415 131 M N -1.443 118.023 119.600 -0.222 0.000 3.207 131 M HA 0.183 3.759 4.480 -1.507 0.000 0.202 131 M C 0.585 176.808 176.300 -0.128 0.000 1.730 131 M CA 0.304 55.499 55.300 -0.174 0.000 1.461 131 M CB -0.339 32.146 32.600 -0.192 0.000 1.013 131 M HN -0.208 nan 8.290 nan 0.000 0.592 132 V N 2.718 122.608 119.914 -0.040 0.000 2.383 132 V HA 0.123 3.339 4.120 -1.507 0.000 0.275 132 V C 0.166 176.359 176.094 0.166 0.000 1.036 132 V CA -0.172 62.127 62.300 -0.001 0.000 0.889 132 V CB 1.123 32.943 31.823 -0.005 0.000 0.985 132 V HN 0.359 nan 8.190 nan 0.000 0.459 133 D N 2.881 123.328 120.400 0.077 0.000 2.262 133 D HA 0.103 3.839 4.640 -1.507 0.000 0.212 133 D C 0.136 176.544 176.300 0.181 0.000 0.964 133 D CA 1.250 55.348 54.000 0.164 0.000 0.875 133 D CB 0.342 41.210 40.800 0.113 0.000 0.996 133 D HN 0.684 nan 8.370 nan 0.000 0.497 134 Y N -0.329 119.974 120.300 0.005 0.000 2.655 134 Y HA 0.581 4.225 4.550 -1.510 0.000 0.336 134 Y C -1.543 174.362 175.900 0.007 0.000 1.154 134 Y CA -1.801 56.247 58.100 -0.087 0.000 1.055 134 Y CB 0.950 39.247 38.460 -0.270 0.000 1.295 134 Y HN -0.163 nan 8.280 nan 0.000 0.465 135 I N -0.034 120.586 120.570 0.083 0.000 2.686 135 I HA 0.905 4.170 4.170 -1.507 0.000 0.295 135 I C -0.451 175.781 176.117 0.193 0.000 1.114 135 I CA -1.306 60.012 61.300 0.030 0.000 1.038 135 I CB 2.580 40.586 38.000 0.010 0.000 1.238 135 I HN 1.026 nan 8.210 nan 0.000 0.420 136 G N 4.700 113.621 108.800 0.202 0.000 2.329 136 G HA2 0.514 3.569 3.960 -1.507 0.000 0.309 136 G HA3 0.514 3.569 3.960 -1.507 0.000 0.309 136 G C -0.119 174.788 174.900 0.011 0.000 1.110 136 G CA -0.626 44.570 45.100 0.160 0.000 0.923 136 G HN 0.783 nan 8.290 nan 0.000 0.430 137 V N 2.793 122.687 119.914 -0.033 0.000 2.415 137 V HA 0.642 3.858 4.120 -1.507 0.000 0.267 137 V C 1.241 177.248 176.094 -0.144 0.000 1.042 137 V CA -0.177 62.062 62.300 -0.103 0.000 1.000 137 V CB -0.302 31.457 31.823 -0.108 0.000 1.015 137 V HN 1.527 nan 8.190 nan 0.000 0.478 138 G N 5.149 113.835 108.800 -0.190 0.000 2.561 138 G HA2 -0.228 2.827 3.960 -1.507 0.000 0.360 138 G HA3 -0.228 2.827 3.960 -1.507 0.000 0.360 138 G C 0.127 174.921 174.900 -0.177 0.000 1.328 138 G CA 0.285 45.245 45.100 -0.233 0.000 0.918 138 G HN 1.270 nan 8.290 nan 0.000 0.542 139 T N 1.482 115.927 114.554 -0.182 0.000 2.801 139 T HA 0.474 3.919 4.350 -1.507 0.000 0.306 139 T C 1.826 176.413 174.700 -0.188 0.000 1.020 139 T CA -0.343 61.676 62.100 -0.134 0.000 0.948 139 T CB 1.119 69.937 68.868 -0.084 0.000 0.962 139 T HN 0.486 nan 8.240 nan 0.000 0.465 140 L N 2.260 123.362 121.223 -0.202 0.000 1.989 140 L HA 0.055 3.491 4.340 -1.507 0.000 0.211 140 L C 0.129 176.566 176.870 -0.721 0.000 1.071 140 L CA 1.688 56.263 54.840 -0.442 0.000 0.749 140 L CB -0.113 41.755 42.059 -0.318 0.000 0.890 140 L HN 0.500 nan 8.230 nan 0.000 0.431 141 F N -2.138 117.788 119.950 -0.039 0.000 2.640 141 F HA 0.463 4.961 4.527 -0.048 0.000 0.324 141 F C -2.224 173.578 175.800 0.003 0.000 1.077 141 F CA -2.615 55.381 58.000 -0.006 0.000 0.965 141 F CB 0.347 39.358 39.000 0.018 0.000 1.351 141 F HN -0.330 nan 8.300 nan 0.000 0.487 142 P HA 0.299 nan 4.420 nan 0.000 0.272 142 P C -0.712 176.656 177.300 0.113 0.000 1.223 142 P CA -0.140 63.033 63.100 0.121 0.000 0.784 142 P CB 1.138 32.906 31.700 0.113 0.000 0.923 143 T N 1.314 115.911 114.554 0.073 0.000 2.885 143 T HA 0.274 3.719 4.350 -1.507 0.000 0.322 143 T C -0.053 174.670 174.700 0.039 0.000 1.387 143 T CA -0.498 61.641 62.100 0.065 0.000 1.041 143 T CB 0.417 69.327 68.868 0.069 0.000 1.287 143 T HN -0.052 nan 8.240 nan 0.000 0.491 144 L N 3.242 124.485 121.223 0.033 0.000 2.592 144 L HA 0.241 3.677 4.340 -1.507 0.000 0.227 144 L C 2.325 179.204 176.870 0.016 0.000 1.127 144 L CA 0.928 55.780 54.840 0.020 0.000 0.884 144 L CB -1.218 40.849 42.059 0.014 0.000 1.065 144 L HN 0.742 nan 8.230 nan 0.000 0.457 145 T N -1.031 113.533 114.554 0.017 0.000 2.896 145 T HA -0.067 3.379 4.350 -1.507 0.000 0.263 145 T C 1.068 175.767 174.700 -0.001 0.000 1.050 145 T CA 0.737 62.840 62.100 0.007 0.000 1.140 145 T CB 0.213 69.082 68.868 0.002 0.000 0.877 145 T HN -0.029 nan 8.240 nan 0.000 0.457 146 K N 1.746 122.146 120.400 -0.000 0.000 2.234 146 K HA 0.507 3.923 4.320 -1.507 0.000 0.282 146 K C 0.773 177.375 176.600 0.004 0.000 1.039 146 K CA -0.055 56.230 56.287 -0.002 0.000 0.928 146 K CB 0.891 33.387 32.500 -0.007 0.000 1.039 146 K HN 0.054 nan 8.250 nan 0.000 0.470 147 K N 1.693 122.096 120.400 0.006 0.000 2.426 147 K HA 0.019 3.435 4.320 -1.507 0.000 0.193 147 K C 1.415 178.021 176.600 0.010 0.000 1.028 147 K CA 1.517 57.809 56.287 0.008 0.000 1.047 147 K CB -0.933 31.571 32.500 0.008 0.000 0.821 147 K HN 0.802 nan 8.250 nan 0.000 0.513 148 N N -0.436 118.270 118.700 0.010 0.000 2.663 148 N HA 0.501 4.337 4.740 -1.507 0.000 0.250 148 N C 0.379 175.896 175.510 0.012 0.000 1.043 148 N CA 1.576 54.633 53.050 0.011 0.000 0.929 148 N CB -0.888 37.607 38.487 0.013 0.000 1.665 148 N HN 1.194 nan 8.380 nan 0.000 0.484 156 T N -1.352 113.001 114.554 -0.336 0.000 2.833 156 T HA 0.078 3.524 4.350 -1.507 0.000 0.269 156 T C 2.550 177.138 174.700 -0.188 0.000 1.054 156 T CA 2.384 64.351 62.100 -0.221 0.000 1.135 156 T CB -0.513 68.269 68.868 -0.144 0.000 0.869 156 T HN 1.474 nan 8.240 nan 0.000 0.466 157 A N 1.922 124.655 122.820 -0.144 0.000 1.948 157 A HA 0.148 3.564 4.320 -1.507 0.000 0.220 157 A C 2.715 180.222 177.584 -0.129 0.000 1.177 157 A CA 1.837 53.801 52.037 -0.121 0.000 0.636 157 A CB -1.607 17.399 19.000 0.009 0.000 0.815 157 A HN 0.634 nan 8.150 nan 0.000 0.449 158 G N -0.971 107.735 108.800 -0.156 0.000 2.403 158 G HA2 0.102 3.158 3.960 -1.507 0.000 0.216 158 G HA3 0.102 3.158 3.960 -1.507 0.000 0.216 158 G C 1.691 176.479 174.900 -0.187 0.000 1.154 158 G CA 1.201 46.196 45.100 -0.175 0.000 0.784 158 G HN 0.783 nan 8.290 nan 0.000 0.538 159 A N 0.767 123.470 122.820 -0.196 0.000 1.930 159 A HA 0.082 3.497 4.320 -1.507 0.000 0.217 159 A C 2.357 179.859 177.584 -0.136 0.000 1.175 159 A CA 1.093 53.027 52.037 -0.171 0.000 0.627 159 A CB -0.325 18.575 19.000 -0.167 0.000 0.815 159 A HN 0.362 nan 8.150 nan 0.000 0.443 160 I N -0.700 119.787 120.570 -0.139 0.000 2.163 160 I HA -0.300 2.966 4.170 -1.507 0.000 0.243 160 I C 2.689 178.753 176.117 -0.088 0.000 1.085 160 I CA 1.483 62.713 61.300 -0.117 0.000 1.347 160 I CB -0.336 37.577 38.000 -0.146 0.000 1.044 160 I HN 0.279 nan 8.210 nan 0.000 0.408 161 R N -0.026 120.422 120.500 -0.087 0.000 2.139 161 R HA -0.161 3.275 4.340 -1.507 0.000 0.243 161 R C 2.205 178.472 176.300 -0.055 0.000 1.145 161 R CA 1.263 57.328 56.100 -0.058 0.000 0.976 161 R CB -0.424 29.849 30.300 -0.045 0.000 0.866 161 R HN 0.283 nan 8.270 nan 0.000 0.449 162 V N 0.973 120.839 119.914 -0.079 0.000 2.379 162 V HA -0.144 3.071 4.120 -1.507 0.000 0.243 162 V C 2.188 178.241 176.094 -0.069 0.000 1.035 162 V CA 1.304 63.558 62.300 -0.076 0.000 1.035 162 V CB -0.235 31.524 31.823 -0.107 0.000 0.673 162 V HN 0.261 nan 8.190 nan 0.000 0.457 163 L N -0.146 121.034 121.223 -0.072 0.000 2.131 163 L HA -0.192 3.244 4.340 -1.507 0.000 0.210 163 L C 2.221 179.061 176.870 -0.049 0.000 1.092 163 L CA 1.386 56.189 54.840 -0.062 0.000 0.759 163 L CB -0.687 41.339 42.059 -0.055 0.000 0.903 163 L HN 0.345 nan 8.230 nan 0.000 0.435 164 D N 0.175 120.549 120.400 -0.043 0.000 2.144 164 D HA -0.104 3.632 4.640 -1.507 0.000 0.200 164 D C 2.226 178.507 176.300 -0.032 0.000 0.978 164 D CA 1.362 55.343 54.000 -0.031 0.000 0.833 164 D CB 0.095 40.879 40.800 -0.026 0.000 0.961 164 D HN 0.286 nan 8.370 nan 0.000 0.470 165 A N 0.343 123.143 122.820 -0.035 0.000 1.968 165 A HA -0.024 3.391 4.320 -1.507 0.000 0.217 165 A C 2.192 179.746 177.584 -0.050 0.000 1.169 165 A CA 0.469 52.489 52.037 -0.029 0.000 0.638 165 A CB -0.557 18.433 19.000 -0.017 0.000 0.812 165 A HN 0.211 nan 8.150 nan 0.000 0.446 166 L N -1.083 120.096 121.223 -0.073 0.000 2.456 166 L HA -0.115 3.321 4.340 -1.507 0.000 0.224 166 L C 2.311 179.118 176.870 -0.105 0.000 1.148 166 L CA 1.288 56.056 54.840 -0.119 0.000 0.825 166 L CB -0.152 41.827 42.059 -0.133 0.000 0.937 166 L HN 0.454 nan 8.230 nan 0.000 0.450 167 E N -0.197 119.966 120.200 -0.062 0.000 2.228 167 E HA -0.072 3.373 4.350 -1.507 0.000 0.197 167 E C 2.137 178.722 176.600 -0.024 0.000 0.909 167 E CA 0.121 56.497 56.400 -0.040 0.000 0.911 167 E CB 0.137 29.820 29.700 -0.028 0.000 0.887 167 E HN 0.114 nan 8.360 nan 0.000 0.481 168 R N 0.491 120.979 120.500 -0.021 0.000 2.139 168 R HA -0.123 3.312 4.340 -1.507 0.000 0.243 168 R C 0.753 177.052 176.300 -0.001 0.000 1.145 168 R CA 1.911 58.005 56.100 -0.009 0.000 0.976 168 R CB -0.199 30.096 30.300 -0.008 0.000 0.866 168 R HN 0.061 nan 8.270 nan 0.000 0.449 169 N N 0.569 119.261 118.700 -0.013 0.000 2.336 169 N HA -0.045 3.791 4.740 -1.507 0.000 0.189 169 N C -0.511 175.003 175.510 0.007 0.000 1.113 169 N CA 0.227 53.278 53.050 0.001 0.000 0.858 169 N CB 0.232 38.712 38.487 -0.012 0.000 0.970 169 N HN 0.230 nan 8.380 nan 0.000 0.471 170 N N 0.749 119.445 118.700 -0.007 0.000 2.686 170 N HA -0.246 3.590 4.740 -1.507 0.000 0.261 170 N C -0.772 174.722 175.510 -0.027 0.000 1.001 170 N CA 0.590 53.654 53.050 0.025 0.000 0.764 170 N CB -1.073 37.474 38.487 0.099 0.000 0.898 170 N HN 0.286 nan 8.380 nan 0.000 0.544 171 A N 2.363 124.999 122.820 -0.307 0.000 3.118 171 A HA 0.105 3.521 4.320 -1.507 0.000 0.256 171 A C 1.562 178.660 177.584 -0.810 0.000 1.667 171 A CA 0.093 51.546 52.037 -0.973 0.000 1.338 171 A CB -0.608 17.752 19.000 -1.067 0.000 1.127 171 A HN 0.679 nan 8.150 nan 0.000 0.634 172 H N -1.241 117.682 119.070 -0.245 0.000 2.518 172 H HA -0.214 3.438 4.556 -1.507 0.000 0.294 172 H C 1.252 176.577 175.328 -0.004 0.000 1.083 172 H CA 1.645 57.657 56.048 -0.061 0.000 1.264 172 H CB -0.349 29.460 29.762 0.079 0.000 1.370 172 H HN 0.934 nan 8.280 nan 0.000 0.560 173 W N 0.542 121.590 121.300 -0.420 0.000 3.290 173 W HA 0.374 4.132 4.660 -1.503 0.000 0.287 173 W C -0.169 176.291 176.519 -0.097 0.000 1.288 173 W CA -1.151 56.040 57.345 -0.257 0.000 1.725 173 W CB -0.608 28.627 29.460 -0.374 0.000 1.103 173 W HN 0.145 nan 8.180 nan 0.000 0.670 174 C N 4.854 123.872 119.300 -0.471 0.000 2.271 174 C HA 0.542 4.098 4.460 -1.507 0.000 0.323 174 C C 0.583 175.473 174.990 -0.166 0.000 1.245 174 C CA -1.130 57.702 59.018 -0.310 0.000 1.548 174 C CB -0.195 27.215 27.740 -0.550 0.000 2.214 174 C HN 0.164 nan 8.230 nan 0.000 0.477 175 R N 2.834 123.285 120.500 -0.082 0.000 2.652 175 R HA 0.600 4.035 4.340 -1.507 0.000 0.271 175 R C 0.286 176.494 176.300 -0.154 0.000 1.129 175 R CA -0.037 55.971 56.100 -0.154 0.000 1.200 175 R CB 0.629 30.720 30.300 -0.347 0.000 1.146 175 R HN 0.870 nan 8.270 nan 0.000 0.581 176 T N -2.752 111.702 114.554 -0.168 0.000 2.952 176 T HA 0.546 3.992 4.350 -1.507 0.000 0.305 176 T C -0.241 174.417 174.700 -0.069 0.000 1.064 176 T CA -0.927 61.126 62.100 -0.079 0.000 1.008 176 T CB 1.362 70.196 68.868 -0.057 0.000 1.078 176 T HN 0.375 nan 8.240 nan 0.000 0.459 177 V N -0.106 119.819 119.914 0.019 0.000 2.769 177 V HA 1.011 4.227 4.120 -1.507 0.000 0.312 177 V C 0.452 176.561 176.094 0.026 0.000 1.061 177 V CA -0.786 61.545 62.300 0.052 0.000 0.931 177 V CB 1.444 33.359 31.823 0.155 0.000 1.010 177 V HN 1.294 nan 8.190 nan 0.000 0.433 178 G N 2.381 111.181 108.800 0.000 0.000 2.395 178 G HA2 0.680 3.736 3.960 -1.507 0.000 0.283 178 G HA3 0.680 3.736 3.960 -1.507 0.000 0.283 178 G C -0.995 173.882 174.900 -0.039 0.000 1.178 178 G CA -0.554 44.529 45.100 -0.029 0.000 0.837 178 G HN 1.092 nan 8.290 nan 0.000 0.518 179 I N 0.142 120.678 120.570 -0.057 0.000 2.827 179 I HA 0.643 3.908 4.170 -1.507 0.000 0.298 179 I C -0.155 175.932 176.117 -0.050 0.000 1.235 179 I CA -0.253 61.003 61.300 -0.073 0.000 1.021 179 I CB 2.183 40.115 38.000 -0.112 0.000 1.259 179 I HN 1.197 nan 8.210 nan 0.000 0.427 180 G N 4.316 113.095 108.800 -0.035 0.000 3.017 180 G HA2 0.394 3.450 3.960 -1.507 0.000 0.680 180 G HA3 0.394 3.450 3.960 -1.507 0.000 0.680 180 G C 0.372 175.337 174.900 0.109 0.000 1.179 180 G CA -0.359 44.745 45.100 0.006 0.000 1.142 180 G HN 1.848 nan 8.290 nan 0.000 0.489 181 G N -0.674 108.173 108.800 0.079 0.000 2.132 181 G HA2 0.006 3.062 3.960 -1.507 0.000 0.234 181 G HA3 0.006 3.062 3.960 -1.507 0.000 0.234 181 G C 0.334 175.296 174.900 0.103 0.000 0.989 181 G CA 0.364 45.567 45.100 0.172 0.000 0.676 181 G HN 1.566 nan 8.290 nan 0.000 0.522 182 L N 2.118 123.291 121.223 -0.083 0.000 2.313 182 L HA 0.585 4.021 4.340 -1.507 0.000 0.282 182 L C 0.681 177.280 176.870 -0.451 0.000 1.092 182 L CA -0.242 54.499 54.840 -0.166 0.000 0.831 182 L CB 0.320 42.310 42.059 -0.115 0.000 1.159 182 L HN 0.318 nan 8.230 nan 0.000 0.442 183 H N 3.613 122.610 119.070 -0.122 0.000 2.960 183 H HA 0.303 3.939 4.556 -1.533 0.000 0.338 183 H C -1.901 173.359 175.328 -0.115 0.000 1.261 183 H CA -1.489 54.496 56.048 -0.105 0.000 1.136 183 H CB 1.418 31.116 29.762 -0.107 0.000 1.875 183 H HN 0.183 nan 8.280 nan 0.000 0.550 184 P HA -0.128 nan 4.420 nan 0.000 0.221 184 P C 0.599 177.873 177.300 -0.044 0.000 1.145 184 P CA 1.582 64.672 63.100 -0.015 0.000 0.795 184 P CB -0.029 31.671 31.700 0.000 0.000 0.775 185 D N -1.589 118.784 120.400 -0.044 0.000 2.363 185 D HA -0.082 3.654 4.640 -1.507 0.000 0.226 185 D C 0.949 177.172 176.300 -0.129 0.000 1.020 185 D CA 0.361 54.315 54.000 -0.076 0.000 0.892 185 D CB -0.726 40.022 40.800 -0.086 0.000 0.900 185 D HN 0.175 nan 8.370 nan 0.000 0.531 186 N N -0.396 118.201 118.700 -0.171 0.000 1.958 186 N HA 0.002 3.838 4.740 -1.507 0.000 0.223 186 N C 0.665 176.037 175.510 -0.231 0.000 1.395 186 N CA -0.293 52.608 53.050 -0.248 0.000 0.737 186 N CB -0.878 37.336 38.487 -0.454 0.000 1.155 186 N HN 0.236 nan 8.380 nan 0.000 0.529 187 I N 1.731 122.178 120.570 -0.205 0.000 2.233 187 I HA -0.169 3.097 4.170 -1.507 0.000 0.243 187 I C 2.191 178.113 176.117 -0.326 0.000 1.093 187 I CA 1.368 62.548 61.300 -0.200 0.000 1.380 187 I CB 0.086 38.000 38.000 -0.143 0.000 1.067 187 I HN 0.232 nan 8.210 nan 0.000 0.413 188 E N 1.029 120.958 120.200 -0.452 0.000 2.077 188 E HA -0.305 3.141 4.350 -1.507 0.000 0.193 188 E C 2.191 178.266 176.600 -0.876 0.000 0.989 188 E CA 1.049 56.968 56.400 -0.802 0.000 0.800 188 E CB -0.543 28.651 29.700 -0.843 0.000 0.746 188 E HN 0.443 nan 8.360 nan 0.000 0.452 189 R N 1.489 121.559 120.500 -0.717 0.000 2.105 189 R HA -0.137 3.299 4.340 -1.507 0.000 0.239 189 R C 2.272 178.478 176.300 -0.156 0.000 1.135 189 R CA 1.354 57.262 56.100 -0.321 0.000 0.967 189 R CB -0.223 30.004 30.300 -0.122 0.000 0.861 189 R HN 0.088 nan 8.270 nan 0.000 0.442 190 V N 1.009 120.828 119.914 -0.158 0.000 2.270 190 V HA -0.231 2.985 4.120 -1.507 0.000 0.245 190 V C 2.266 178.279 176.094 -0.135 0.000 1.043 190 V CA 1.365 63.621 62.300 -0.074 0.000 1.014 190 V CB -0.448 31.375 31.823 -0.000 0.000 0.645 190 V HN 0.283 nan 8.190 nan 0.000 0.447 191 L N -0.892 120.188 121.223 -0.238 0.000 2.079 191 L HA -0.214 3.221 4.340 -1.507 0.000 0.210 191 L C 2.205 178.996 176.870 -0.131 0.000 1.081 191 L CA 2.008 56.707 54.840 -0.235 0.000 0.752 191 L CB -1.228 40.553 42.059 -0.463 0.000 0.896 191 L HN 0.506 nan 8.230 nan 0.000 0.433 192 Y N 0.534 120.622 120.300 -0.353 0.000 2.184 192 Y HA -0.255 3.380 4.550 -1.525 0.000 0.290 192 Y C 2.377 178.223 175.900 -0.091 0.000 1.129 192 Y CA 1.445 59.477 58.100 -0.114 0.000 1.144 192 Y CB 0.261 38.703 38.460 -0.030 0.000 0.995 192 Y HN 0.435 nan 8.280 nan 0.000 0.513 193 Q N -1.615 118.031 119.800 -0.258 0.000 2.282 193 Q HA 0.156 3.592 4.340 -1.507 0.000 0.206 193 Q C 0.254 176.085 176.000 -0.281 0.000 0.878 193 Q CA 0.016 55.576 55.803 -0.406 0.000 0.944 193 Q CB -0.037 28.459 28.738 -0.403 0.000 1.100 193 Q HN 0.244 nan 8.270 nan 0.000 0.509 194 C N 3.185 122.380 119.300 -0.176 0.000 2.400 194 C HA 0.459 4.015 4.460 -1.507 0.000 0.457 194 C C 0.223 175.156 174.990 -0.095 0.000 1.020 194 C CA -0.812 58.126 59.018 -0.133 0.000 1.258 194 C CB -1.532 26.149 27.740 -0.098 0.000 1.532 194 C HN 0.374 nan 8.230 nan 0.000 0.537 195 V N 0.789 120.638 119.914 -0.109 0.000 2.925 195 V HA 0.676 3.891 4.120 -1.507 0.000 0.311 195 V C 0.052 176.156 176.094 0.017 0.000 1.104 195 V CA -0.575 61.707 62.300 -0.030 0.000 0.954 195 V CB 1.507 33.324 31.823 -0.010 0.000 1.022 195 V HN 0.408 nan 8.190 nan 0.000 0.427 196 S N 2.109 117.838 115.700 0.048 0.000 2.558 196 S HA 0.085 3.651 4.470 -1.507 0.000 0.287 196 S C 1.440 176.121 174.600 0.136 0.000 1.321 196 S CA 0.573 58.804 58.200 0.051 0.000 1.048 196 S CB 0.855 64.072 63.200 0.028 0.000 0.844 196 S HN 1.028 nan 8.310 nan 0.000 0.512 197 S N 2.619 118.370 115.700 0.085 0.000 2.419 197 S HA -0.132 3.433 4.470 -1.507 0.000 0.233 197 S C 1.589 176.151 174.600 -0.064 0.000 1.016 197 S CA 1.498 59.750 58.200 0.087 0.000 0.974 197 S CB -0.550 62.660 63.200 0.016 0.000 0.786 197 S HN 0.930 nan 8.310 nan 0.000 0.492 198 N N 0.570 119.241 118.700 -0.048 0.000 2.398 198 N HA 0.162 3.997 4.740 -1.507 0.000 0.188 198 N C 1.024 176.490 175.510 -0.073 0.000 1.122 198 N CA 0.904 53.897 53.050 -0.095 0.000 0.866 198 N CB -0.503 37.950 38.487 -0.057 0.000 0.970 198 N HN 0.300 nan 8.380 nan 0.000 0.462 199 G N 0.247 109.057 108.800 0.017 0.000 2.189 199 G HA2 -0.387 2.668 3.960 -1.507 0.000 0.267 199 G HA3 -0.387 2.668 3.960 -1.507 0.000 0.267 199 G C 0.940 175.885 174.900 0.074 0.000 0.975 199 G CA 0.702 45.867 45.100 0.108 0.000 0.644 199 G HN 0.491 nan 8.290 nan 0.000 0.537 200 K N -0.531 119.892 120.400 0.037 0.000 2.365 200 K HA 0.109 3.525 4.320 -1.507 0.000 0.197 200 K C 1.303 177.924 176.600 0.035 0.000 1.042 200 K CA 0.348 56.653 56.287 0.030 0.000 0.987 200 K CB 0.290 32.797 32.500 0.012 0.000 0.779 200 K HN 0.382 nan 8.250 nan 0.000 0.484 201 R N 0.870 121.391 120.500 0.036 0.000 2.628 201 R HA 0.183 3.619 4.340 -1.507 0.000 0.288 201 R C -1.096 175.221 176.300 0.027 0.000 0.980 201 R CA -0.252 55.863 56.100 0.024 0.000 0.891 201 R CB 1.745 32.045 30.300 -0.000 0.000 1.188 201 R HN 0.020 nan 8.270 nan 0.000 0.450 202 S N 3.549 119.266 115.700 0.028 0.000 2.811 202 S HA 0.505 4.070 4.470 -1.507 0.000 0.311 202 S C -0.227 174.380 174.600 0.012 0.000 1.152 202 S CA -0.986 57.227 58.200 0.022 0.000 0.864 202 S CB 0.803 64.034 63.200 0.050 0.000 1.226 202 S HN 0.474 nan 8.310 nan 0.000 0.541 203 L N 1.685 122.912 121.223 0.007 0.000 2.490 203 L HA 0.170 3.605 4.340 -1.507 0.000 0.274 203 L C 0.697 177.585 176.870 0.031 0.000 1.201 203 L CA -0.053 54.789 54.840 0.004 0.000 0.869 203 L CB 0.120 42.177 42.059 -0.003 0.000 1.123 203 L HN 0.753 nan 8.230 nan 0.000 0.484 204 D N 2.074 122.487 120.400 0.023 0.000 2.349 204 D HA 0.144 3.880 4.640 -1.507 0.000 0.215 204 D C 0.754 177.120 176.300 0.110 0.000 1.016 204 D CA 0.521 54.558 54.000 0.063 0.000 0.870 204 D CB 0.958 41.780 40.800 0.036 0.000 0.917 204 D HN 0.776 nan 8.370 nan 0.000 0.524 205 G N 0.090 108.944 108.800 0.090 0.000 2.320 205 G HA2 0.420 3.476 3.960 -1.507 0.000 0.296 205 G HA3 0.420 3.476 3.960 -1.507 0.000 0.296 205 G C -1.857 173.095 174.900 0.086 0.000 1.306 205 G CA -0.790 44.379 45.100 0.114 0.000 0.836 205 G HN 0.018 nan 8.290 nan 0.000 0.517 206 I N -0.283 120.339 120.570 0.086 0.000 2.545 206 I HA 0.439 3.704 4.170 -1.507 0.000 0.292 206 I C -0.580 175.559 176.117 0.037 0.000 1.040 206 I CA -0.655 60.667 61.300 0.037 0.000 1.068 206 I CB 2.269 40.270 38.000 0.002 0.000 1.251 206 I HN 0.512 nan 8.210 nan 0.000 0.424 207 C N 6.384 125.665 119.300 -0.031 0.000 2.303 207 C HA 0.700 4.255 4.460 -1.507 0.000 0.326 207 C C 0.024 174.936 174.990 -0.130 0.000 1.285 207 C CA -0.459 58.491 59.018 -0.113 0.000 1.675 207 C CB 0.913 28.510 27.740 -0.237 0.000 2.289 207 C HN 0.512 nan 8.230 nan 0.000 0.512 208 V N 3.836 123.674 119.914 -0.127 0.000 2.914 208 V HA 0.875 4.091 4.120 -1.507 0.000 0.314 208 V C -0.398 175.619 176.094 -0.128 0.000 1.084 208 V CA -0.405 61.806 62.300 -0.149 0.000 0.963 208 V CB 1.528 33.261 31.823 -0.150 0.000 1.025 208 V HN 0.591 nan 8.190 nan 0.000 0.432 209 V N 1.752 121.592 119.914 -0.123 0.000 3.444 209 V HA 0.072 3.288 4.120 -1.507 0.000 0.210 209 V C 2.485 178.546 176.094 -0.055 0.000 1.217 209 V CA 1.318 63.569 62.300 -0.082 0.000 1.302 209 V CB 0.101 31.881 31.823 -0.072 0.000 1.341 209 V HN 1.084 nan 8.190 nan 0.000 0.522 210 S N 0.593 116.272 115.700 -0.035 0.000 2.419 210 S HA -0.274 3.291 4.470 -1.507 0.000 0.233 210 S C 1.540 176.166 174.600 0.042 0.000 1.016 210 S CA 2.184 60.398 58.200 0.023 0.000 0.974 210 S CB -0.572 62.679 63.200 0.086 0.000 0.786 210 S HN 0.614 nan 8.310 nan 0.000 0.492 211 D N 0.744 121.131 120.400 -0.023 0.000 2.219 211 D HA 0.064 3.799 4.640 -1.507 0.000 0.205 211 D C 1.588 177.889 176.300 0.001 0.000 0.970 211 D CA 1.222 55.228 54.000 0.009 0.000 0.851 211 D CB -0.072 40.646 40.800 -0.138 0.000 0.943 211 D HN 0.591 nan 8.370 nan 0.000 0.488 212 I N -0.660 119.895 120.570 -0.024 0.000 3.136 212 I HA -0.058 3.207 4.170 -1.507 0.000 0.262 212 I C 1.768 177.877 176.117 -0.014 0.000 1.132 212 I CA -0.213 61.074 61.300 -0.021 0.000 1.450 212 I CB 0.104 38.083 38.000 -0.034 0.000 1.315 212 I HN -0.052 nan 8.210 nan 0.000 0.460 213 I N 1.905 122.464 120.570 -0.017 0.000 2.118 213 I HA -0.281 2.984 4.170 -1.507 0.000 0.241 213 I C 2.459 178.575 176.117 -0.001 0.000 1.070 213 I CA 1.947 63.240 61.300 -0.011 0.000 1.327 213 I CB -1.380 36.612 38.000 -0.014 0.000 1.034 213 I HN 0.183 nan 8.210 nan 0.000 0.405 214 A N -0.019 122.805 122.820 0.006 0.000 2.276 214 A HA 0.065 3.480 4.320 -1.507 0.000 0.212 214 A C 1.248 178.839 177.584 0.011 0.000 1.230 214 A CA 0.222 52.266 52.037 0.011 0.000 0.844 214 A CB -0.483 18.528 19.000 0.018 0.000 0.860 214 A HN 0.360 nan 8.150 nan 0.000 0.486 215 S N -0.414 115.291 115.700 0.009 0.000 2.537 215 S HA 0.414 3.980 4.470 -1.507 0.000 0.275 215 S C 1.049 175.652 174.600 0.005 0.000 1.272 215 S CA -0.641 57.564 58.200 0.008 0.000 1.050 215 S CB 0.355 63.559 63.200 0.007 0.000 0.961 215 S HN 0.383 nan 8.310 nan 0.000 0.496 216 L N 2.418 123.644 121.223 0.004 0.000 2.275 216 L HA 0.097 3.533 4.340 -1.507 0.000 0.215 216 L C 0.703 177.575 176.870 0.004 0.000 1.119 216 L CA 0.853 55.695 54.840 0.003 0.000 0.790 216 L CB -0.134 41.926 42.059 0.001 0.000 0.919 216 L HN 0.620 nan 8.230 nan 0.000 0.443 217 D N -0.576 119.826 120.400 0.002 0.000 2.400 217 D HA 0.290 4.026 4.640 -1.507 0.000 0.272 217 D C 0.722 177.021 176.300 -0.001 0.000 1.220 217 D CA -0.032 53.969 54.000 0.002 0.000 0.897 217 D CB 1.414 42.215 40.800 0.001 0.000 1.134 217 D HN 0.013 nan 8.370 nan 0.000 0.507 218 A N 2.428 125.246 122.820 -0.003 0.000 2.019 218 A HA 0.050 3.465 4.320 -1.507 0.000 0.219 218 A C 2.116 179.692 177.584 -0.015 0.000 1.164 218 A CA 1.682 53.713 52.037 -0.010 0.000 0.644 218 A CB -0.212 18.779 19.000 -0.016 0.000 0.805 218 A HN 0.535 nan 8.150 nan 0.000 0.449 219 A N 0.092 122.905 122.820 -0.011 0.000 1.877 219 A HA -0.177 3.239 4.320 -1.507 0.000 0.216 219 A C 2.141 179.720 177.584 -0.009 0.000 1.186 219 A CA 1.993 54.023 52.037 -0.012 0.000 0.620 219 A CB -0.476 18.521 19.000 -0.006 0.000 0.822 219 A HN 0.549 nan 8.150 nan 0.000 0.443 220 K N -0.295 120.103 120.400 -0.004 0.000 2.026 220 K HA -0.116 3.299 4.320 -1.507 0.000 0.208 220 K C 2.256 178.854 176.600 -0.003 0.000 1.048 220 K CA 1.610 57.896 56.287 -0.002 0.000 0.929 220 K CB -0.251 32.249 32.500 -0.000 0.000 0.713 220 K HN 0.393 nan 8.250 nan 0.000 0.439 221 S N 0.255 115.953 115.700 -0.003 0.000 2.374 221 S HA -0.153 3.413 4.470 -1.507 0.000 0.227 221 S C 1.870 176.466 174.600 -0.008 0.000 1.037 221 S CA 1.995 60.194 58.200 -0.002 0.000 1.024 221 S CB -0.463 62.737 63.200 0.001 0.000 0.861 221 S HN 0.487 nan 8.310 nan 0.000 0.456 222 T N 1.589 116.135 114.554 -0.013 0.000 2.737 222 T HA -0.061 3.385 4.350 -1.507 0.000 0.265 222 T C 1.817 176.510 174.700 -0.012 0.000 1.038 222 T CA 1.051 63.140 62.100 -0.018 0.000 1.144 222 T CB -0.193 68.659 68.868 -0.027 0.000 0.866 222 T HN 0.337 nan 8.240 nan 0.000 0.434 223 K N 0.631 121.026 120.400 -0.008 0.000 2.103 223 K HA -0.068 3.348 4.320 -1.507 0.000 0.207 223 K C 2.204 178.804 176.600 0.000 0.000 1.048 223 K CA 1.129 57.414 56.287 -0.003 0.000 0.930 223 K CB -0.296 32.203 32.500 -0.001 0.000 0.716 223 K HN 0.356 nan 8.250 nan 0.000 0.444 224 I N 0.919 121.488 120.570 -0.001 0.000 2.202 224 I HA -0.297 2.969 4.170 -1.507 0.000 0.242 224 I C 2.205 178.322 176.117 0.000 0.000 1.091 224 I CA 0.989 62.290 61.300 0.002 0.000 1.368 224 I CB -0.206 37.794 38.000 0.001 0.000 1.058 224 I HN 0.178 nan 8.210 nan 0.000 0.410 225 L N -0.028 121.191 121.223 -0.006 0.000 2.083 225 L HA -0.204 3.232 4.340 -1.507 0.000 0.209 225 L C 2.793 179.664 176.870 0.001 0.000 1.083 225 L CA 1.031 55.864 54.840 -0.011 0.000 0.752 225 L CB -0.670 41.376 42.059 -0.023 0.000 0.899 225 L HN 0.258 nan 8.230 nan 0.000 0.433 226 R N 0.503 121.005 120.500 0.004 0.000 2.073 226 R HA -0.105 3.330 4.340 -1.507 0.000 0.234 226 R C 2.263 178.577 176.300 0.022 0.000 1.134 226 R CA 1.502 57.608 56.100 0.011 0.000 0.952 226 R CB -1.249 29.054 30.300 0.006 0.000 0.850 226 R HN 0.399 nan 8.270 nan 0.000 0.433 227 G N 1.188 109.999 108.800 0.019 0.000 2.513 227 G HA2 -0.267 2.789 3.960 -1.507 0.000 0.219 227 G HA3 -0.267 2.789 3.960 -1.507 0.000 0.219 227 G C 1.358 176.285 174.900 0.046 0.000 1.160 227 G CA 0.812 45.928 45.100 0.026 0.000 0.767 227 G HN 0.204 nan 8.290 nan 0.000 0.571 228 L N 0.508 121.757 121.223 0.045 0.000 2.046 228 L HA 0.092 3.528 4.340 -1.507 0.000 0.208 228 L C 2.864 179.811 176.870 0.129 0.000 1.077 228 L CA 0.964 55.847 54.840 0.070 0.000 0.747 228 L CB -0.672 41.393 42.059 0.010 0.000 0.896 228 L HN 0.253 nan 8.230 nan 0.000 0.432 229 I N 0.063 120.686 120.570 0.089 0.000 2.286 229 I HA -0.229 3.037 4.170 -1.507 0.000 0.245 229 I C 1.129 177.330 176.117 0.140 0.000 1.104 229 I CA 1.276 62.646 61.300 0.117 0.000 1.397 229 I CB -0.352 37.688 38.000 0.066 0.000 1.072 229 I HN 0.368 nan 8.210 nan 0.000 0.417 230 D N 0.195 120.645 120.400 0.083 0.000 2.358 230 D HA 0.044 3.780 4.640 -1.507 0.000 0.224 230 D C 0.571 176.880 176.300 0.015 0.000 1.123 230 D CA -0.191 53.838 54.000 0.048 0.000 0.833 230 D CB -0.121 40.697 40.800 0.030 0.000 0.946 230 D HN 0.151 nan 8.370 nan 0.000 0.505 231 K N -0.213 120.204 120.400 0.028 0.000 2.117 231 K HA 0.387 3.803 4.320 -1.507 0.000 0.240 231 K C 0.568 177.015 176.600 -0.255 0.000 1.031 231 K CA -0.044 56.215 56.287 -0.047 0.000 0.909 231 K CB 0.771 33.292 32.500 0.034 0.000 1.097 231 K HN 0.043 nan 8.250 nan 0.000 0.492 232 T N -2.657 111.667 114.554 -0.383 0.000 3.080 232 T HA 0.215 3.660 4.350 -1.507 0.000 0.280 232 T C -0.637 173.661 174.700 -0.670 0.000 0.926 232 T CA -0.504 61.208 62.100 -0.647 0.000 0.883 232 T CB 0.231 68.917 68.868 -0.302 0.000 1.194 232 T HN 0.388 nan 8.240 nan 0.000 0.541 233 D N 1.470 121.651 120.400 -0.365 0.000 2.278 233 D HA 0.315 4.051 4.640 -1.507 0.000 0.245 233 D C -1.646 174.732 176.300 0.130 0.000 1.052 233 D CA -0.418 53.508 54.000 -0.123 0.000 0.834 233 D CB 1.784 42.548 40.800 -0.060 0.000 1.194 233 D HN 0.137 nan 8.370 nan 0.000 0.481 234 Y N 2.400 122.705 120.300 0.008 0.000 2.842 234 Y HA 0.156 3.812 4.550 -1.492 0.000 0.334 234 Y C -0.224 175.656 175.900 -0.033 0.000 1.019 234 Y CA -0.971 57.150 58.100 0.035 0.000 1.258 234 Y CB 0.412 38.822 38.460 -0.082 0.000 1.106 234 Y HN 0.008 nan 8.280 nan 0.000 0.545 235 K N 6.426 126.778 120.400 -0.080 0.000 2.083 235 K HA 0.019 3.435 4.320 -1.507 0.000 0.246 235 K C 0.447 176.817 176.600 -0.384 0.000 1.160 235 K CA 0.050 56.181 56.287 -0.259 0.000 1.060 235 K CB -0.689 31.728 32.500 -0.139 0.000 1.417 235 K HN 0.744 nan 8.250 nan 0.000 0.329 236 F N 0.274 119.852 119.950 -0.621 0.000 2.780 236 F HA 0.148 3.781 4.527 -1.490 0.000 0.299 236 F C 0.442 176.098 175.800 -0.239 0.000 1.146 236 F CA -0.591 57.015 58.000 -0.657 0.000 1.428 236 F CB 0.278 38.672 39.000 -1.009 0.000 1.115 236 F HN -0.048 nan 8.300 nan 0.000 0.583 237 V N 1.197 120.791 119.914 -0.532 0.000 2.932 237 V HA 0.355 3.570 4.120 -1.507 0.000 0.307 237 V C -0.923 175.028 176.094 -0.239 0.000 1.147 237 V CA -0.960 61.177 62.300 -0.273 0.000 0.951 237 V CB 1.870 33.541 31.823 -0.254 0.000 1.031 237 V HN 0.121 nan 8.190 nan 0.000 0.426 238 N N 5.373 124.004 118.700 -0.115 0.000 3.210 238 N HA 0.374 4.210 4.740 -1.507 0.000 0.314 238 N C -0.681 174.788 175.510 -0.069 0.000 1.291 238 N CA 0.344 53.341 53.050 -0.089 0.000 1.202 238 N CB -0.839 37.612 38.487 -0.059 0.000 1.475 238 N HN 0.618 nan 8.380 nan 0.000 0.554 239 I N -1.495 119.012 120.570 -0.105 0.000 3.095 239 I HA 0.393 3.659 4.170 -1.507 0.000 0.310 239 I C 0.751 176.813 176.117 -0.093 0.000 1.196 239 I CA -1.636 59.626 61.300 -0.064 0.000 0.985 239 I CB 1.994 39.970 38.000 -0.039 0.000 1.250 239 I HN 0.061 nan 8.210 nan 0.000 0.446 240 G N 2.137 110.909 108.800 -0.047 0.000 2.441 240 G HA2 0.430 3.486 3.960 -1.507 0.000 0.243 240 G HA3 0.430 3.486 3.960 -1.507 0.000 0.243 240 G C 0.123 174.989 174.900 -0.057 0.000 1.281 240 G CA -0.182 44.891 45.100 -0.046 0.000 0.854 240 G HN 0.591 nan 8.290 nan 0.000 0.560 241 L N 1.452 122.635 121.223 -0.067 0.000 2.906 241 L HA 0.145 3.581 4.340 -1.507 0.000 0.255 241 L C 1.020 177.881 176.870 -0.014 0.000 1.166 241 L CA -0.189 54.621 54.840 -0.050 0.000 0.977 241 L CB 0.214 42.218 42.059 -0.092 0.000 1.313 241 L HN 0.376 nan 8.230 nan 0.000 0.549 242 S N 0.666 116.358 115.700 -0.013 0.000 2.573 242 S HA -0.021 3.545 4.470 -1.507 0.000 0.297 242 S C 0.578 175.170 174.600 -0.013 0.000 1.280 242 S CA 0.207 58.405 58.200 -0.004 0.000 1.061 242 S CB 0.380 63.584 63.200 0.007 0.000 0.812 242 S HN 0.158 nan 8.310 nan 0.000 0.500 243 T N 5.402 119.949 114.554 -0.011 0.000 2.799 243 T HA 0.151 3.597 4.350 -1.507 0.000 0.296 243 T C 0.117 174.811 174.700 -0.011 0.000 0.947 243 T CA -0.273 61.804 62.100 -0.037 0.000 1.141 243 T CB 0.121 68.975 68.868 -0.023 0.000 0.891 243 T HN 0.284 nan 8.240 nan 0.000 0.533 244 K N 3.742 124.131 120.400 -0.018 0.000 2.307 244 K HA 0.352 3.768 4.320 -1.507 0.000 0.263 244 K C 0.473 177.160 176.600 0.144 0.000 0.973 244 K CA -0.688 55.647 56.287 0.081 0.000 0.846 244 K CB 1.545 34.067 32.500 0.037 0.000 1.100 244 K HN 0.399 nan 8.250 nan 0.000 0.438 245 N N 0.266 119.064 118.700 0.163 0.000 2.294 245 N HA 0.016 3.852 4.740 -1.507 0.000 0.186 245 N C -0.350 175.338 175.510 0.295 0.000 1.107 245 N CA 0.147 53.320 53.050 0.205 0.000 0.884 245 N CB 0.669 39.236 38.487 0.133 0.000 1.030 245 N HN 0.305 nan 8.380 nan 0.000 0.482 246 S N 1.903 117.754 115.700 0.251 0.000 2.499 246 S HA 0.215 3.781 4.470 -1.507 0.000 0.275 246 S C 0.328 175.068 174.600 0.234 0.000 1.257 246 S CA -0.603 57.740 58.200 0.238 0.000 1.050 246 S CB 0.984 64.285 63.200 0.168 0.000 0.937 246 S HN 0.069 nan 8.310 nan 0.000 0.490 247 L N 3.022 124.339 121.223 0.157 0.000 2.558 247 L HA -0.018 3.418 4.340 -1.507 0.000 0.301 247 L C 1.108 177.995 176.870 0.028 0.000 1.267 247 L CA 0.978 55.841 54.840 0.038 0.000 0.854 247 L CB -0.419 41.617 42.059 -0.037 0.000 1.103 247 L HN 0.599 nan 8.230 nan 0.000 0.522 248 T N 1.886 116.420 114.554 -0.033 0.000 2.752 248 T HA 0.241 3.686 4.350 -1.507 0.000 0.295 248 T C 0.496 175.087 174.700 -0.182 0.000 0.923 248 T CA -0.352 61.627 62.100 -0.203 0.000 1.112 248 T CB -0.115 68.647 68.868 -0.177 0.000 0.884 248 T HN 0.799 nan 8.240 nan 0.000 0.525 249 T N 1.258 115.684 114.554 -0.213 0.000 2.868 249 T HA 0.110 3.555 4.350 -1.507 0.000 0.292 249 T C 1.717 176.311 174.700 -0.176 0.000 1.028 249 T CA -0.546 61.463 62.100 -0.152 0.000 1.059 249 T CB 0.806 69.600 68.868 -0.123 0.000 0.991 249 T HN 0.408 nan 8.240 nan 0.000 0.531 250 T N 1.411 115.866 114.554 -0.165 0.000 2.737 250 T HA -0.124 3.322 4.350 -1.507 0.000 0.269 250 T C 1.353 175.931 174.700 -0.203 0.000 1.040 250 T CA 1.902 63.874 62.100 -0.214 0.000 1.142 250 T CB -0.632 68.112 68.868 -0.208 0.000 0.861 250 T HN 0.718 nan 8.240 nan 0.000 0.456 251 D N 0.642 120.950 120.400 -0.155 0.000 2.178 251 D HA -0.036 3.699 4.640 -1.507 0.000 0.202 251 D C 2.191 178.415 176.300 -0.128 0.000 0.974 251 D CA 0.884 54.807 54.000 -0.128 0.000 0.841 251 D CB -0.173 40.570 40.800 -0.095 0.000 0.953 251 D HN 0.519 nan 8.370 nan 0.000 0.478 252 E N 0.036 120.143 120.200 -0.155 0.000 2.046 252 E HA -0.039 3.407 4.350 -1.507 0.000 0.190 252 E C 2.264 178.783 176.600 -0.135 0.000 0.982 252 E CA 0.329 56.632 56.400 -0.161 0.000 0.800 252 E CB 0.019 29.547 29.700 -0.287 0.000 0.756 252 E HN 0.242 nan 8.360 nan 0.000 0.449 253 I N 1.221 121.695 120.570 -0.160 0.000 2.194 253 I HA -0.358 2.907 4.170 -1.507 0.000 0.246 253 I C 2.753 178.804 176.117 -0.110 0.000 1.093 253 I CA 1.356 62.581 61.300 -0.125 0.000 1.355 253 I CB -0.275 37.606 38.000 -0.198 0.000 1.046 253 I HN 0.209 nan 8.210 nan 0.000 0.413 254 Q N 0.252 119.960 119.800 -0.153 0.000 2.084 254 Q HA -0.228 3.208 4.340 -1.507 0.000 0.202 254 Q C 2.350 178.310 176.000 -0.066 0.000 0.978 254 Q CA 2.124 57.855 55.803 -0.121 0.000 0.844 254 Q CB -0.034 28.620 28.738 -0.140 0.000 0.898 254 Q HN 0.351 nan 8.270 nan 0.000 0.426 255 S N -0.118 115.544 115.700 -0.063 0.000 2.356 255 S HA -0.121 3.445 4.470 -1.507 0.000 0.223 255 S C 1.890 176.477 174.600 -0.022 0.000 1.032 255 S CA 1.124 59.301 58.200 -0.039 0.000 1.005 255 S CB -0.290 62.889 63.200 -0.035 0.000 0.867 255 S HN 0.426 nan 8.310 nan 0.000 0.449 256 I N 1.882 122.443 120.570 -0.016 0.000 2.068 256 I HA -0.244 3.022 4.170 -1.507 0.000 0.238 256 I C 2.293 178.415 176.117 0.008 0.000 1.046 256 I CA 1.726 63.029 61.300 0.005 0.000 1.306 256 I CB -1.518 36.494 38.000 0.019 0.000 1.023 256 I HN 0.355 nan 8.210 nan 0.000 0.399 257 I N 0.659 121.242 120.570 0.021 0.000 2.194 257 I HA -0.314 2.952 4.170 -1.507 0.000 0.246 257 I C 2.765 178.883 176.117 0.002 0.000 1.093 257 I CA 1.442 62.761 61.300 0.031 0.000 1.355 257 I CB -0.444 37.601 38.000 0.075 0.000 1.046 257 I HN 0.195 nan 8.210 nan 0.000 0.413 258 S N 0.713 116.407 115.700 -0.010 0.000 2.365 258 S HA -0.197 3.369 4.470 -1.507 0.000 0.225 258 S C 1.820 176.403 174.600 -0.029 0.000 1.039 258 S CA 1.541 59.728 58.200 -0.022 0.000 1.033 258 S CB -0.418 62.767 63.200 -0.025 0.000 0.887 258 S HN 0.444 nan 8.310 nan 0.000 0.447 259 N N 0.745 119.427 118.700 -0.029 0.000 2.069 259 N HA -0.118 3.717 4.740 -1.507 0.000 0.191 259 N C 2.130 177.593 175.510 -0.078 0.000 1.031 259 N CA 1.878 54.899 53.050 -0.048 0.000 0.852 259 N CB -0.962 37.506 38.487 -0.032 0.000 1.018 259 N HN 0.587 nan 8.380 nan 0.000 0.423 260 T N 0.756 115.277 114.554 -0.055 0.000 2.821 260 T HA -0.014 3.432 4.350 -1.507 0.000 0.267 260 T C 2.185 176.853 174.700 -0.054 0.000 1.046 260 T CA 0.607 62.670 62.100 -0.061 0.000 1.139 260 T CB -0.253 68.601 68.868 -0.022 0.000 0.871 260 T HN 0.105 nan 8.240 nan 0.000 0.454 261 L N 0.481 121.682 121.223 -0.037 0.000 2.042 261 L HA -0.041 3.395 4.340 -1.507 0.000 0.210 261 L C 2.981 179.829 176.870 -0.037 0.000 1.076 261 L CA 1.908 56.730 54.840 -0.031 0.000 0.749 261 L CB -0.464 41.577 42.059 -0.031 0.000 0.893 261 L HN 0.353 nan 8.230 nan 0.000 0.432 262 K N 0.054 120.424 120.400 -0.050 0.000 2.228 262 K HA -0.065 3.351 4.320 -1.507 0.000 0.202 262 K C 1.799 178.354 176.600 -0.074 0.000 1.051 262 K CA 0.996 57.253 56.287 -0.049 0.000 0.960 262 K CB 0.142 32.615 32.500 -0.044 0.000 0.743 262 K HN 0.251 nan 8.250 nan 0.000 0.458 263 A N 1.090 123.829 122.820 -0.136 0.000 2.195 263 A HA 0.046 3.461 4.320 -1.507 0.000 0.210 263 A C 0.615 178.120 177.584 -0.132 0.000 1.165 263 A CA 0.218 52.111 52.037 -0.241 0.000 0.806 263 A CB -0.238 18.397 19.000 -0.609 0.000 0.847 263 A HN 0.485 nan 8.150 nan 0.000 0.482 264 R N -0.419 120.041 120.500 -0.066 0.000 2.884 264 R HA -0.139 3.296 4.340 -1.507 0.000 0.251 264 R C -2.597 173.713 176.300 0.016 0.000 0.870 264 R CA 0.366 56.460 56.100 -0.011 0.000 0.647 264 R CB -1.514 28.792 30.300 0.010 0.000 1.415 264 R HN 0.240 nan 8.270 nan 0.000 0.513 265 P HA 0.011 nan 4.420 nan 0.000 0.271 265 P C -0.564 176.788 177.300 0.086 0.000 1.216 265 P CA -0.453 62.690 63.100 0.072 0.000 0.776 265 P CB 0.642 32.377 31.700 0.058 0.000 0.881 266 L N 5.232 126.522 121.223 0.112 0.000 2.283 266 L HA 0.300 3.736 4.340 -1.507 0.000 0.287 266 L C -0.970 175.970 176.870 0.116 0.000 1.073 266 L CA -0.145 54.761 54.840 0.109 0.000 0.822 266 L CB 0.302 42.427 42.059 0.110 0.000 1.186 266 L HN 0.035 nan 8.230 nan 0.000 0.436 267 V N 6.033 126.007 119.914 0.100 0.000 2.328 267 V HA 0.315 3.531 4.120 -1.507 0.000 0.278 267 V C 0.100 176.241 176.094 0.078 0.000 1.021 267 V CA -0.493 61.838 62.300 0.053 0.000 0.838 267 V CB 1.164 32.999 31.823 0.021 0.000 0.999 267 V HN 0.849 nan 8.190 nan 0.000 0.447 268 Q N 4.146 123.966 119.800 0.032 0.000 2.337 268 Q HA 0.261 3.697 4.340 -1.507 0.000 0.255 268 Q C -0.815 175.166 176.000 -0.032 0.000 0.997 268 Q CA -0.434 55.409 55.803 0.067 0.000 0.925 268 Q CB 0.366 29.170 28.738 0.111 0.000 1.212 268 Q HN 0.786 nan 8.270 nan 0.000 0.436 269 H N 3.832 122.908 119.070 0.010 0.000 2.668 269 H HA 0.311 3.964 4.556 -1.505 0.000 0.303 269 H C -0.619 174.718 175.328 0.015 0.000 1.074 269 H CA -0.101 55.947 56.048 0.001 0.000 1.406 269 H CB 0.660 30.428 29.762 0.010 0.000 1.442 269 H HN 0.557 nan 8.280 nan 0.000 0.482 270 I N 3.645 124.265 120.570 0.083 0.000 2.371 270 I HA 0.274 3.539 4.170 -1.507 0.000 0.282 270 I C 0.213 176.379 176.117 0.081 0.000 1.031 270 I CA -0.095 61.253 61.300 0.081 0.000 1.180 270 I CB 0.952 38.986 38.000 0.057 0.000 1.336 270 I HN 0.549 nan 8.210 nan 0.000 0.467 271 T N 3.147 117.762 114.554 0.101 0.000 2.731 271 T HA 0.327 3.772 4.350 -1.507 0.000 0.300 271 T C 0.385 175.152 174.700 0.112 0.000 1.283 271 T CA -0.457 61.703 62.100 0.100 0.000 1.005 271 T CB 1.331 70.279 68.868 0.133 0.000 1.420 271 T HN 0.579 nan 8.240 nan 0.000 0.503 272 N N 0.121 118.911 118.700 0.150 0.000 2.023 272 N HA 0.192 4.028 4.740 -1.507 0.000 0.177 272 N C 1.309 176.884 175.510 0.109 0.000 1.114 272 N CA 1.431 54.570 53.050 0.148 0.000 0.940 272 N CB -0.150 38.475 38.487 0.230 0.000 1.016 272 N HN 0.662 nan 8.380 nan 0.000 0.429 273 K N -0.847 119.611 120.400 0.096 0.000 2.563 273 K HA 0.156 3.572 4.320 -1.507 0.000 0.189 273 K C 1.415 178.021 176.600 0.008 0.000 1.803 273 K CA 0.571 56.887 56.287 0.047 0.000 1.139 273 K CB -0.705 31.814 32.500 0.031 0.000 1.648 273 K HN 0.223 nan 8.250 nan 0.000 0.583 274 V N -0.617 119.271 119.914 -0.044 0.000 2.453 274 V HA -0.036 3.179 4.120 -1.507 0.000 0.247 274 V C 2.167 178.150 176.094 -0.185 0.000 1.048 274 V CA 2.032 64.226 62.300 -0.177 0.000 1.049 274 V CB -0.924 30.684 31.823 -0.357 0.000 0.672 274 V HN 0.653 nan 8.190 nan 0.000 0.457 275 H N -0.357 118.762 119.070 0.081 0.000 2.547 275 H HA 0.145 3.798 4.556 -1.506 0.000 0.272 275 H C 2.351 177.710 175.328 0.052 0.000 0.971 275 H CA 0.678 56.787 56.048 0.103 0.000 1.245 275 H CB -0.040 29.774 29.762 0.087 0.000 1.440 275 H HN 0.360 nan 8.280 nan 0.000 0.540 276 Q N 0.877 120.750 119.800 0.122 0.000 1.967 276 Q HA -0.243 3.192 4.340 -1.507 0.000 0.210 276 Q C 1.887 177.875 176.000 -0.020 0.000 1.005 276 Q CA 1.903 57.722 55.803 0.026 0.000 0.862 276 Q CB -0.425 28.331 28.738 0.029 0.000 0.939 276 Q HN 0.406 nan 8.270 nan 0.000 0.417 277 N N 0.118 118.835 118.700 0.028 0.000 2.080 277 N HA -0.144 3.691 4.740 -1.507 0.000 0.189 277 N C 1.438 177.013 175.510 0.108 0.000 1.036 277 N CA 0.948 54.022 53.050 0.039 0.000 0.846 277 N CB -0.374 38.138 38.487 0.042 0.000 1.015 277 N HN 0.118 nan 8.380 nan 0.000 0.423 278 F N 0.783 120.716 119.950 -0.029 0.000 2.269 278 F HA 0.135 3.758 4.527 -1.507 0.000 0.301 278 F C 2.084 177.888 175.800 0.008 0.000 1.082 278 F CA 1.302 59.301 58.000 -0.002 0.000 1.360 278 F CB -0.816 38.197 39.000 0.021 0.000 1.041 278 F HN 0.098 nan 8.300 nan 0.000 0.512 279 G N -0.784 107.976 108.800 -0.066 0.000 2.430 279 G HA2 -0.043 3.012 3.960 -1.507 0.000 0.216 279 G HA3 -0.043 3.012 3.960 -1.507 0.000 0.216 279 G C 1.800 176.534 174.900 -0.278 0.000 1.146 279 G CA 0.553 45.543 45.100 -0.183 0.000 0.793 279 G HN 0.511 nan 8.290 nan 0.000 0.537 280 A N 0.977 123.628 122.820 -0.282 0.000 2.014 280 A HA 0.039 3.454 4.320 -1.507 0.000 0.218 280 A C 2.075 179.606 177.584 -0.090 0.000 1.163 280 A CA 1.467 53.376 52.037 -0.214 0.000 0.652 280 A CB -0.414 18.491 19.000 -0.159 0.000 0.808 280 A HN 0.466 nan 8.150 nan 0.000 0.449 281 N N -0.245 118.416 118.700 -0.064 0.000 2.142 281 N HA -0.102 3.733 4.740 -1.507 0.000 0.186 281 N C 1.542 177.020 175.510 -0.053 0.000 1.023 281 N CA 1.248 54.284 53.050 -0.023 0.000 0.852 281 N CB -0.154 38.374 38.487 0.069 0.000 0.998 281 N HN 0.230 nan 8.380 nan 0.000 0.424 282 V N 0.980 120.809 119.914 -0.143 0.000 2.343 282 V HA -0.234 2.981 4.120 -1.507 0.000 0.247 282 V C 2.132 178.209 176.094 -0.029 0.000 1.051 282 V CA 1.776 64.005 62.300 -0.118 0.000 1.036 282 V CB -0.783 30.921 31.823 -0.199 0.000 0.654 282 V HN 0.416 nan 8.190 nan 0.000 0.451 283 T N 0.277 114.826 114.554 -0.008 0.000 2.708 283 T HA -0.123 3.323 4.350 -1.507 0.000 0.266 283 T C 1.911 176.635 174.700 0.041 0.000 1.037 283 T CA 1.175 63.303 62.100 0.045 0.000 1.146 283 T CB -0.290 68.643 68.868 0.109 0.000 0.865 283 T HN 0.118 nan 8.240 nan 0.000 0.435 284 L N 1.440 122.679 121.223 0.026 0.000 2.012 284 L HA -0.028 3.408 4.340 -1.507 0.000 0.210 284 L C 2.920 179.835 176.870 0.075 0.000 1.073 284 L CA 1.855 56.718 54.840 0.038 0.000 0.748 284 L CB -1.750 40.318 42.059 0.015 0.000 0.891 284 L HN 0.269 nan 8.230 nan 0.000 0.431 285 A N -0.683 122.183 122.820 0.076 0.000 1.917 285 A HA -0.193 3.223 4.320 -1.507 0.000 0.219 285 A C 2.096 179.778 177.584 0.163 0.000 1.182 285 A CA 1.503 53.640 52.037 0.167 0.000 0.633 285 A CB -0.803 18.265 19.000 0.113 0.000 0.819 285 A HN 0.444 nan 8.150 nan 0.000 0.448 286 L N -0.498 120.771 121.223 0.077 0.000 2.675 286 L HA 0.176 3.612 4.340 -1.507 0.000 0.239 286 L C 1.414 178.307 176.870 0.039 0.000 1.151 286 L CA 0.313 55.178 54.840 0.042 0.000 0.905 286 L CB -0.779 41.295 42.059 0.025 0.000 1.057 286 L HN 0.591 nan 8.230 nan 0.000 0.435 287 G N 0.627 109.469 108.800 0.069 0.000 2.246 287 G HA2 -0.263 2.793 3.960 -1.507 0.000 0.273 287 G HA3 -0.263 2.793 3.960 -1.507 0.000 0.273 287 G C 0.065 174.988 174.900 0.039 0.000 1.055 287 G CA 0.441 45.575 45.100 0.057 0.000 0.851 287 G HN 0.481 nan 8.290 nan 0.000 0.500 288 S N -1.398 114.330 115.700 0.045 0.000 2.595 288 S HA 0.843 4.409 4.470 -1.507 0.000 0.281 288 S C -0.297 174.336 174.600 0.055 0.000 1.117 288 S CA -0.131 58.096 58.200 0.045 0.000 0.873 288 S CB 2.089 65.314 63.200 0.042 0.000 1.108 288 S HN 1.394 nan 8.310 nan 0.000 0.477 289 S N 0.972 116.708 115.700 0.060 0.000 2.457 289 S HA 0.683 4.249 4.470 -1.507 0.000 0.289 289 S C -3.014 171.637 174.600 0.085 0.000 1.163 289 S CA -1.412 56.825 58.200 0.062 0.000 1.078 289 S CB 0.478 63.711 63.200 0.055 0.000 0.987 289 S HN 0.501 nan 8.310 nan 0.000 0.482 290 P HA 0.525 nan 4.420 nan 0.000 0.286 290 P C -0.836 176.525 177.300 0.103 0.000 1.261 290 P CA -0.607 62.566 63.100 0.122 0.000 0.821 290 P CB 0.686 32.406 31.700 0.033 0.000 1.013 291 I N 3.314 123.970 120.570 0.144 0.000 2.533 291 I HA 0.288 3.554 4.170 -1.507 0.000 0.290 291 I C 0.486 176.679 176.117 0.126 0.000 1.056 291 I CA -0.740 60.626 61.300 0.109 0.000 1.057 291 I CB 2.371 40.434 38.000 0.105 0.000 1.240 291 I HN 0.174 nan 8.210 nan 0.000 0.423 292 M N 4.037 123.689 119.600 0.087 0.000 2.771 292 M HA 0.130 3.706 4.480 -1.507 0.000 0.341 292 M C 0.520 176.866 176.300 0.077 0.000 1.226 292 M CA -0.048 55.304 55.300 0.087 0.000 0.955 292 M CB -0.173 32.457 32.600 0.050 0.000 1.318 292 M HN 0.485 nan 8.290 nan 0.000 0.514 293 S N 1.633 117.381 115.700 0.081 0.000 2.516 293 S HA 0.124 3.689 4.470 -1.507 0.000 0.282 293 S C 0.538 175.181 174.600 0.073 0.000 1.286 293 S CA 0.247 58.489 58.200 0.070 0.000 1.066 293 S CB 0.511 63.754 63.200 0.071 0.000 0.884 293 S HN 0.532 nan 8.310 nan 0.000 0.491 294 E N 4.124 124.360 120.200 0.060 0.000 2.869 294 E HA 0.283 3.729 4.350 -1.507 0.000 0.207 294 E C -0.824 175.803 176.600 0.045 0.000 0.986 294 E CA -0.043 56.391 56.400 0.057 0.000 1.131 294 E CB 0.440 30.172 29.700 0.054 0.000 1.098 294 E HN 0.642 nan 8.360 nan 0.000 0.459 295 I N 1.390 121.986 120.570 0.043 0.000 2.339 295 I HA 0.103 3.369 4.170 -1.507 0.000 0.290 295 I C 1.497 177.631 176.117 0.028 0.000 0.994 295 I CA -0.486 60.833 61.300 0.031 0.000 1.191 295 I CB 1.634 39.650 38.000 0.028 0.000 1.343 295 I HN 0.010 nan 8.210 nan 0.000 0.458 296 Q N 2.690 122.500 119.800 0.017 0.000 2.112 296 Q HA -0.188 3.248 4.340 -1.507 0.000 0.206 296 Q C 2.080 178.083 176.000 0.004 0.000 0.987 296 Q CA 2.330 58.137 55.803 0.008 0.000 0.858 296 Q CB 0.049 28.784 28.738 -0.004 0.000 0.905 296 Q HN 0.894 nan 8.270 nan 0.000 0.420 297 S N 0.451 116.153 115.700 0.003 0.000 2.402 297 S HA -0.128 3.438 4.470 -1.507 0.000 0.229 297 S C 1.623 176.223 174.600 -0.001 0.000 1.021 297 S CA 0.854 59.052 58.200 -0.002 0.000 0.974 297 S CB -0.186 63.013 63.200 -0.002 0.000 0.800 297 S HN 0.329 nan 8.310 nan 0.000 0.484 298 E N 0.657 120.862 120.200 0.009 0.000 2.208 298 E HA -0.016 3.430 4.350 -1.507 0.000 0.193 298 E C 1.904 178.510 176.600 0.009 0.000 0.988 298 E CA 0.481 56.889 56.400 0.012 0.000 0.828 298 E CB -0.168 29.548 29.700 0.026 0.000 0.763 298 E HN 0.303 nan 8.360 nan 0.000 0.478 299 V N 1.890 121.814 119.914 0.017 0.000 2.392 299 V HA -0.286 2.930 4.120 -1.507 0.000 0.249 299 V C 1.911 177.980 176.094 -0.041 0.000 1.059 299 V CA 1.642 63.958 62.300 0.026 0.000 1.051 299 V CB -0.330 31.524 31.823 0.052 0.000 0.658 299 V HN 0.335 nan 8.190 nan 0.000 0.455 300 N N -0.225 118.444 118.700 -0.052 0.000 2.270 300 N HA -0.115 3.721 4.740 -1.507 0.000 0.181 300 N C 1.481 176.933 175.510 -0.097 0.000 1.016 300 N CA 1.369 54.366 53.050 -0.088 0.000 0.870 300 N CB -0.214 38.235 38.487 -0.063 0.000 0.979 300 N HN 0.535 nan 8.380 nan 0.000 0.431 301 D N 0.656 121.020 120.400 -0.061 0.000 2.103 301 D HA -0.077 3.659 4.640 -1.507 0.000 0.199 301 D C 2.043 178.310 176.300 -0.055 0.000 0.978 301 D CA 0.306 54.277 54.000 -0.049 0.000 0.829 301 D CB -0.189 40.597 40.800 -0.023 0.000 0.981 301 D HN 0.056 nan 8.370 nan 0.000 0.464 302 L N 1.501 122.699 121.223 -0.042 0.000 1.990 302 L HA -0.161 3.275 4.340 -1.507 0.000 0.213 302 L C 2.459 179.267 176.870 -0.102 0.000 1.072 302 L CA 1.525 56.353 54.840 -0.020 0.000 0.755 302 L CB -1.401 40.689 42.059 0.052 0.000 0.889 302 L HN -0.029 nan 8.230 nan 0.000 0.432 303 A N -1.301 121.333 122.820 -0.309 0.000 2.125 303 A HA -0.035 3.380 4.320 -1.507 0.000 0.219 303 A C 2.322 179.736 177.584 -0.283 0.000 1.156 303 A CA 1.428 53.107 52.037 -0.597 0.000 0.671 303 A CB -0.665 17.719 19.000 -1.027 0.000 0.794 303 A HN 0.414 nan 8.150 nan 0.000 0.459 304 A N -0.621 122.096 122.820 -0.171 0.000 2.123 304 A HA 0.308 3.723 4.320 -1.507 0.000 0.214 304 A C 0.943 178.486 177.584 -0.068 0.000 1.152 304 A CA -0.029 51.944 52.037 -0.107 0.000 0.728 304 A CB -0.303 18.649 19.000 -0.081 0.000 0.814 304 A HN 0.456 nan 8.150 nan 0.000 0.464 305 I N 1.268 121.809 120.570 -0.048 0.000 2.634 305 I HA 0.115 3.381 4.170 -1.507 0.000 0.284 305 I C -2.142 173.972 176.117 -0.004 0.000 1.124 305 I CA -1.917 59.377 61.300 -0.010 0.000 1.417 305 I CB 0.882 38.893 38.000 0.019 0.000 1.396 305 I HN 0.050 nan 8.210 nan 0.000 0.571 306 P HA -0.001 nan 4.420 nan 0.000 0.265 306 P C -0.671 176.665 177.300 0.059 0.000 1.193 306 P CA 0.398 63.481 63.100 -0.029 0.000 0.765 306 P CB 0.097 31.818 31.700 0.035 0.000 0.823 307 H N -0.804 118.288 119.070 0.036 0.000 2.770 307 H HA -0.147 3.505 4.556 -1.507 0.000 0.309 307 H C 0.369 175.742 175.328 0.075 0.000 1.206 307 H CA 0.422 56.500 56.048 0.049 0.000 1.147 307 H CB -1.778 28.007 29.762 0.039 0.000 1.422 307 H HN 0.541 nan 8.280 nan 0.000 0.420 308 A N 0.486 123.401 122.820 0.158 0.000 2.322 308 A HA 0.689 4.105 4.320 -1.507 0.000 0.269 308 A C 0.603 178.364 177.584 0.294 0.000 1.094 308 A CA 0.495 52.664 52.037 0.219 0.000 0.807 308 A CB 0.908 20.025 19.000 0.195 0.000 1.047 308 A HN 0.307 nan 8.150 nan 0.000 0.487 309 T N 0.958 115.673 114.554 0.268 0.000 2.982 309 T HA 0.464 3.910 4.350 -1.507 0.000 0.321 309 T C -1.346 173.235 174.700 -0.199 0.000 1.229 309 T CA -0.345 61.798 62.100 0.072 0.000 1.044 309 T CB 1.221 70.107 68.868 0.030 0.000 1.184 309 T HN 0.602 nan 8.240 nan 0.000 0.477 310 L N 3.272 124.204 121.223 -0.485 0.000 2.307 310 L HA 0.695 4.131 4.340 -1.507 0.000 0.284 310 L C -1.186 175.493 176.870 -0.318 0.000 1.023 310 L CA -0.752 53.733 54.840 -0.592 0.000 0.810 310 L CB 1.171 42.638 42.059 -0.986 0.000 1.231 310 L HN 0.579 nan 8.230 nan 0.000 0.423 311 L N 6.757 127.805 121.223 -0.292 0.000 2.343 311 L HA 0.490 3.925 4.340 -1.507 0.000 0.278 311 L C -1.480 175.284 176.870 -0.177 0.000 0.996 311 L CA -0.510 54.171 54.840 -0.265 0.000 0.831 311 L CB 1.496 43.300 42.059 -0.424 0.000 1.232 311 L HN 0.625 nan 8.230 nan 0.000 0.413 312 L N 4.978 126.131 121.223 -0.116 0.000 2.282 312 L HA 0.415 3.851 4.340 -1.507 0.000 0.288 312 L C -0.427 176.425 176.870 -0.030 0.000 1.033 312 L CA -0.410 54.418 54.840 -0.019 0.000 0.807 312 L CB 1.775 43.873 42.059 0.065 0.000 1.209 312 L HN 0.652 nan 8.230 nan 0.000 0.423 313 N N 0.754 119.444 118.700 -0.016 0.000 2.592 313 N HA 0.659 4.495 4.740 -1.507 0.000 0.292 313 N C -0.811 174.716 175.510 0.028 0.000 1.260 313 N CA -0.572 52.444 53.050 -0.056 0.000 0.910 313 N CB 1.861 40.293 38.487 -0.091 0.000 1.257 313 N HN 0.404 nan 8.380 nan 0.000 0.569 314 T N -1.432 113.126 114.554 0.007 0.000 2.865 314 T HA 0.582 4.028 4.350 -1.507 0.000 0.294 314 T C 0.213 174.944 174.700 0.052 0.000 1.119 314 T CA 0.065 62.203 62.100 0.064 0.000 1.007 314 T CB 1.398 70.322 68.868 0.094 0.000 1.225 314 T HN 0.762 nan 8.240 nan 0.000 0.515 315 G N 1.428 110.266 108.800 0.062 0.000 2.221 315 G HA2 -0.208 2.848 3.960 -1.507 0.000 0.265 315 G HA3 -0.208 2.848 3.960 -1.507 0.000 0.265 315 G C 0.209 175.143 174.900 0.058 0.000 1.041 315 G CA 0.604 45.735 45.100 0.052 0.000 0.807 315 G HN 0.787 nan 8.290 nan 0.000 0.502 316 S N -1.969 113.771 115.700 0.066 0.000 2.693 316 S HA 0.530 4.096 4.470 -1.507 0.000 0.276 316 S C 1.448 176.084 174.600 0.060 0.000 1.192 316 S CA 0.242 58.482 58.200 0.067 0.000 0.994 316 S CB 1.780 65.024 63.200 0.074 0.000 1.012 316 S HN 1.100 nan 8.310 nan 0.000 0.550 317 V N 2.274 122.221 119.914 0.056 0.000 3.573 317 V HA 0.376 3.591 4.120 -1.507 0.000 0.270 317 V C 0.817 176.940 176.094 0.048 0.000 1.221 317 V CA 0.990 63.319 62.300 0.048 0.000 1.163 317 V CB -0.860 30.988 31.823 0.042 0.000 0.847 317 V HN 0.835 nan 8.190 nan 0.000 0.468 318 A N 1.617 124.470 122.820 0.056 0.000 2.363 318 A HA 0.657 4.073 4.320 -1.507 0.000 0.270 318 A C -2.366 175.254 177.584 0.059 0.000 1.121 318 A CA -1.239 50.831 52.037 0.055 0.000 0.800 318 A CB -0.001 19.035 19.000 0.060 0.000 1.052 318 A HN 0.394 nan 8.150 nan 0.000 0.493 319 P HA 0.209 nan 4.420 nan 0.000 0.271 319 P C -2.045 175.289 177.300 0.057 0.000 1.216 319 P CA -1.176 61.952 63.100 0.047 0.000 0.776 319 P CB 0.202 31.919 31.700 0.028 0.000 0.881 320 P HA -0.251 nan 4.420 nan 0.000 0.217 320 P C 1.580 178.876 177.300 -0.007 0.000 1.151 320 P CA 2.229 65.409 63.100 0.132 0.000 0.849 320 P CB -0.372 31.444 31.700 0.192 0.000 0.787 321 E N -0.178 120.006 120.200 -0.027 0.000 2.160 321 E HA -0.249 3.197 4.350 -1.507 0.000 0.195 321 E C 1.737 178.265 176.600 -0.119 0.000 0.991 321 E CA 2.128 58.472 56.400 -0.093 0.000 0.810 321 E CB -1.469 28.203 29.700 -0.047 0.000 0.742 321 E HN 0.487 nan 8.360 nan 0.000 0.466 322 M N -1.136 118.429 119.600 -0.059 0.000 2.357 322 M HA 0.257 3.833 4.480 -1.507 0.000 0.266 322 M C 2.217 178.496 176.300 -0.035 0.000 1.095 322 M CA 1.041 56.318 55.300 -0.038 0.000 1.156 322 M CB 0.150 32.751 32.600 0.002 0.000 1.365 322 M HN 0.179 nan 8.290 nan 0.000 0.447 323 L N 0.661 121.876 121.223 -0.013 0.000 2.012 323 L HA -0.182 3.254 4.340 -1.507 0.000 0.210 323 L C 2.764 179.590 176.870 -0.075 0.000 1.073 323 L CA 1.922 56.785 54.840 0.040 0.000 0.748 323 L CB -1.010 41.148 42.059 0.165 0.000 0.891 323 L HN 0.482 nan 8.230 nan 0.000 0.431 324 K N 0.444 120.573 120.400 -0.451 0.000 2.020 324 K HA -0.253 3.163 4.320 -1.507 0.000 0.212 324 K C 2.129 178.537 176.600 -0.319 0.000 1.050 324 K CA 1.751 57.530 56.287 -0.846 0.000 0.929 324 K CB -0.157 31.573 32.500 -1.284 0.000 0.714 324 K HN 0.280 nan 8.250 nan 0.000 0.443 325 A N 0.774 123.469 122.820 -0.208 0.000 1.908 325 A HA -0.142 3.273 4.320 -1.507 0.000 0.218 325 A C 2.298 179.875 177.584 -0.011 0.000 1.181 325 A CA 2.078 54.057 52.037 -0.096 0.000 0.627 325 A CB -0.798 18.160 19.000 -0.070 0.000 0.818 325 A HN 0.540 nan 8.150 nan 0.000 0.445 326 A N -0.161 122.681 122.820 0.036 0.000 1.854 326 A HA 0.003 3.419 4.320 -1.507 0.000 0.214 326 A C 2.113 179.833 177.584 0.226 0.000 1.192 326 A CA 1.340 53.468 52.037 0.150 0.000 0.611 326 A CB -0.631 18.456 19.000 0.145 0.000 0.832 326 A HN 0.455 nan 8.150 nan 0.000 0.442 327 I N -0.560 120.106 120.570 0.161 0.000 2.151 327 I HA -0.327 2.939 4.170 -1.507 0.000 0.243 327 I C 2.707 178.920 176.117 0.161 0.000 1.080 327 I CA 2.045 63.461 61.300 0.193 0.000 1.339 327 I CB -0.262 37.867 38.000 0.215 0.000 1.039 327 I HN 0.389 nan 8.210 nan 0.000 0.409 328 R N 1.557 122.103 120.500 0.078 0.000 2.073 328 R HA -0.161 3.275 4.340 -1.507 0.000 0.234 328 R C 2.250 178.589 176.300 0.065 0.000 1.134 328 R CA 1.857 57.983 56.100 0.043 0.000 0.952 328 R CB -0.688 29.597 30.300 -0.025 0.000 0.850 328 R HN 0.335 nan 8.270 nan 0.000 0.433 329 A N -0.360 122.501 122.820 0.068 0.000 1.917 329 A HA -0.209 3.206 4.320 -1.507 0.000 0.219 329 A C 2.108 179.676 177.584 -0.027 0.000 1.182 329 A CA 1.748 53.789 52.037 0.007 0.000 0.633 329 A CB -0.985 18.007 19.000 -0.013 0.000 0.819 329 A HN 0.555 nan 8.150 nan 0.000 0.448 330 Y N -0.227 120.095 120.300 0.038 0.000 2.263 330 Y HA -0.110 3.532 4.550 -1.513 0.000 0.292 330 Y C 2.360 178.296 175.900 0.060 0.000 1.130 330 Y CA 1.597 59.728 58.100 0.052 0.000 1.179 330 Y CB -0.508 37.996 38.460 0.074 0.000 0.998 330 Y HN 0.416 nan 8.280 nan 0.000 0.532 331 N N -0.168 118.661 118.700 0.215 0.000 2.289 331 N HA -0.175 3.661 4.740 -1.507 0.000 0.184 331 N C 0.951 176.529 175.510 0.113 0.000 1.016 331 N CA 0.963 54.111 53.050 0.163 0.000 0.872 331 N CB -0.064 38.509 38.487 0.143 0.000 0.973 331 N HN 0.299 nan 8.380 nan 0.000 0.433 332 D N 0.142 120.583 120.400 0.067 0.000 2.178 332 D HA -0.062 3.673 4.640 -1.507 0.000 0.202 332 D C 1.377 177.686 176.300 0.015 0.000 0.974 332 D CA 0.833 54.853 54.000 0.032 0.000 0.841 332 D CB 0.099 40.899 40.800 -0.001 0.000 0.953 332 D HN 0.095 nan 8.370 nan 0.000 0.478 333 V N 0.587 120.501 119.914 -0.001 0.000 3.444 333 V HA 0.068 3.284 4.120 -1.507 0.000 0.308 333 V C 0.462 176.558 176.094 0.004 0.000 1.371 333 V CA -0.224 62.063 62.300 -0.023 0.000 1.141 333 V CB -0.687 31.089 31.823 -0.079 0.000 1.037 333 V HN 0.187 nan 8.190 nan 0.000 0.433 334 K N 0.589 121.014 120.400 0.042 0.000 3.077 334 K HA -0.198 3.217 4.320 -1.507 0.000 0.264 334 K C 0.114 176.746 176.600 0.054 0.000 1.008 334 K CA 0.510 56.822 56.287 0.042 0.000 0.740 334 K CB -0.950 31.546 32.500 -0.007 0.000 1.273 334 K HN 0.441 nan 8.250 nan 0.000 0.477 335 R N -0.067 120.507 120.500 0.125 0.000 2.758 335 R HA 0.424 3.860 4.340 -1.507 0.000 0.265 335 R C -2.473 173.964 176.300 0.227 0.000 1.016 335 R CA -2.151 54.054 56.100 0.176 0.000 1.040 335 R CB 0.881 31.334 30.300 0.254 0.000 1.152 335 R HN -0.101 nan 8.270 nan 0.000 0.503 336 P HA 0.333 nan 4.420 nan 0.000 0.280 336 P C -0.497 176.865 177.300 0.104 0.000 1.244 336 P CA -0.102 63.092 63.100 0.156 0.000 0.784 336 P CB 0.636 32.403 31.700 0.111 0.000 0.913 337 I N 2.302 122.963 120.570 0.151 0.000 2.433 337 I HA 0.371 3.637 4.170 -1.507 0.000 0.292 337 I C -0.419 175.745 176.117 0.078 0.000 1.001 337 I CA -1.117 60.236 61.300 0.089 0.000 1.119 337 I CB 2.112 40.277 38.000 0.274 0.000 1.289 337 I HN -0.049 nan 8.210 nan 0.000 0.438 338 V N 6.076 125.960 119.914 -0.049 0.000 2.417 338 V HA 0.331 3.547 4.120 -1.507 0.000 0.291 338 V C -0.762 175.243 176.094 -0.149 0.000 1.024 338 V CA -0.608 61.647 62.300 -0.074 0.000 0.861 338 V CB 1.847 33.615 31.823 -0.091 0.000 0.985 338 V HN 0.426 nan 8.190 nan 0.000 0.436 339 F N 4.665 124.361 119.950 -0.424 0.000 2.332 339 F HA 0.568 4.202 4.527 -1.488 0.000 0.368 339 F C -0.120 175.475 175.800 -0.341 0.000 1.110 339 F CA -1.302 56.364 58.000 -0.557 0.000 1.087 339 F CB 1.099 39.513 39.000 -0.977 0.000 1.235 339 F HN 0.522 nan 8.300 nan 0.000 0.470 340 D N 8.553 128.623 120.400 -0.550 0.000 2.456 340 D HA 0.329 4.065 4.640 -1.507 0.000 0.287 340 D C -2.857 173.092 176.300 -0.585 0.000 1.186 340 D CA -2.426 51.262 54.000 -0.520 0.000 0.916 340 D CB 0.945 41.556 40.800 -0.316 0.000 1.029 340 D HN 0.158 nan 8.370 nan 0.000 0.498 341 P HA -0.028 nan 4.420 nan 0.000 0.263 341 P C 1.098 178.239 177.300 -0.265 0.000 1.195 341 P CA -0.147 62.620 63.100 -0.556 0.000 0.762 341 P CB 1.242 32.624 31.700 -0.531 0.000 0.799 342 V N 3.274 123.087 119.914 -0.168 0.000 2.951 342 V HA -0.033 3.183 4.120 -1.507 0.000 0.255 342 V C 2.222 178.304 176.094 -0.021 0.000 1.088 342 V CA 1.751 63.992 62.300 -0.098 0.000 1.109 342 V CB -1.365 30.413 31.823 -0.075 0.000 0.724 342 V HN 0.689 nan 8.190 nan 0.000 0.471 343 G N 0.015 108.818 108.800 0.004 0.000 2.887 343 G HA2 -0.216 2.840 3.960 -1.507 0.000 0.189 343 G HA3 -0.216 2.840 3.960 -1.507 0.000 0.189 343 G C 0.322 175.257 174.900 0.059 0.000 1.467 343 G CA 1.106 46.226 45.100 0.034 0.000 0.818 343 G HN 0.568 nan 8.290 nan 0.000 0.641 344 Y N -0.635 119.633 120.300 -0.053 0.000 2.377 344 Y HA 0.433 4.076 4.550 -1.512 0.000 0.339 344 Y C 0.903 176.796 175.900 -0.011 0.000 1.011 344 Y CA 0.101 58.179 58.100 -0.037 0.000 1.093 344 Y CB 2.016 40.435 38.460 -0.068 0.000 1.201 344 Y HN 0.712 nan 8.280 nan 0.000 0.455 345 S N 2.571 117.910 115.700 -0.603 0.000 3.445 345 S HA -0.307 3.259 4.470 -1.507 0.000 0.319 345 S C 0.949 175.478 174.600 -0.118 0.000 1.209 345 S CA 1.101 59.085 58.200 -0.360 0.000 0.934 345 S CB -1.580 61.478 63.200 -0.236 0.000 0.999 345 S HN 1.320 nan 8.310 nan 0.000 0.582 346 A N 0.031 122.805 122.820 -0.076 0.000 2.016 346 A HA 0.388 3.804 4.320 -1.507 0.000 0.217 346 A C 1.184 178.749 177.584 -0.033 0.000 1.162 346 A CA 1.622 53.644 52.037 -0.026 0.000 0.662 346 A CB -0.208 18.790 19.000 -0.005 0.000 0.812 346 A HN 1.680 nan 8.150 nan 0.000 0.450 347 T N -5.419 109.103 114.554 -0.053 0.000 2.894 347 T HA 0.411 3.857 4.350 -1.507 0.000 0.309 347 T C 0.330 174.993 174.700 -0.062 0.000 1.208 347 T CA -0.329 61.745 62.100 -0.042 0.000 1.016 347 T CB 1.552 70.405 68.868 -0.025 0.000 1.192 347 T HN 0.027 nan 8.240 nan 0.000 0.491 348 E N 1.020 121.192 120.200 -0.046 0.000 2.097 348 E HA -0.155 3.290 4.350 -1.507 0.000 0.196 348 E C 1.806 178.375 176.600 -0.052 0.000 1.000 348 E CA 2.071 58.442 56.400 -0.049 0.000 0.804 348 E CB -0.480 29.202 29.700 -0.030 0.000 0.740 348 E HN 0.817 nan 8.360 nan 0.000 0.454 349 T N 0.318 114.851 114.554 -0.035 0.000 2.788 349 T HA -0.121 3.325 4.350 -1.507 0.000 0.268 349 T C 1.975 176.655 174.700 -0.034 0.000 1.044 349 T CA 1.151 63.237 62.100 -0.024 0.000 1.139 349 T CB -0.070 68.793 68.868 -0.008 0.000 0.867 349 T HN 0.133 nan 8.240 nan 0.000 0.454 350 R N -0.002 120.467 120.500 -0.052 0.000 2.057 350 R HA 0.056 3.491 4.340 -1.507 0.000 0.229 350 R C 2.353 178.572 176.300 -0.134 0.000 1.136 350 R CA 0.825 56.888 56.100 -0.062 0.000 0.952 350 R CB -0.606 29.660 30.300 -0.057 0.000 0.848 350 R HN 0.202 nan 8.270 nan 0.000 0.430 351 L N 1.153 122.234 121.223 -0.237 0.000 2.010 351 L HA -0.282 3.153 4.340 -1.507 0.000 0.219 351 L C 1.978 178.740 176.870 -0.180 0.000 1.077 351 L CA 1.845 56.466 54.840 -0.365 0.000 0.773 351 L CB -0.721 41.166 42.059 -0.288 0.000 0.892 351 L HN 0.217 nan 8.230 nan 0.000 0.436 352 L N -1.076 120.089 121.223 -0.097 0.000 1.978 352 L HA -0.273 3.163 4.340 -1.507 0.000 0.218 352 L C 2.650 179.506 176.870 -0.024 0.000 1.075 352 L CA 2.481 57.294 54.840 -0.045 0.000 0.767 352 L CB -1.261 40.782 42.059 -0.025 0.000 0.890 352 L HN 0.496 nan 8.230 nan 0.000 0.434 353 L N 0.201 121.421 121.223 -0.005 0.000 2.046 353 L HA -0.192 3.244 4.340 -1.507 0.000 0.208 353 L C 2.266 179.160 176.870 0.040 0.000 1.077 353 L CA 1.696 56.554 54.840 0.029 0.000 0.747 353 L CB -0.723 41.370 42.059 0.056 0.000 0.896 353 L HN 0.280 nan 8.230 nan 0.000 0.432 354 N N 0.348 119.097 118.700 0.083 0.000 2.084 354 N HA -0.189 3.647 4.740 -1.507 0.000 0.190 354 N C 1.646 177.240 175.510 0.140 0.000 1.030 354 N CA 1.936 55.123 53.050 0.228 0.000 0.849 354 N CB -0.622 38.141 38.487 0.461 0.000 1.012 354 N HN 0.566 nan 8.380 nan 0.000 0.423 355 N N 0.713 119.474 118.700 0.103 0.000 2.223 355 N HA -0.113 3.723 4.740 -1.507 0.000 0.185 355 N C 1.701 177.144 175.510 -0.111 0.000 1.016 355 N CA 0.742 53.820 53.050 0.046 0.000 0.863 355 N CB 0.053 38.570 38.487 0.049 0.000 0.983 355 N HN 0.262 nan 8.380 nan 0.000 0.429 356 K N 1.055 121.356 120.400 -0.165 0.000 2.097 356 K HA -0.035 3.381 4.320 -1.507 0.000 0.205 356 K C 1.867 177.973 176.600 -0.823 0.000 1.050 356 K CA 0.658 56.727 56.287 -0.364 0.000 0.938 356 K CB 0.017 32.396 32.500 -0.201 0.000 0.718 356 K HN 0.146 nan 8.250 nan 0.000 0.442 357 L N 0.866 121.778 121.223 -0.519 0.000 2.042 357 L HA -0.200 3.236 4.340 -1.507 0.000 0.210 357 L C 2.028 178.653 176.870 -0.409 0.000 1.076 357 L CA 1.134 55.693 54.840 -0.468 0.000 0.749 357 L CB -0.305 41.648 42.059 -0.178 0.000 0.893 357 L HN 0.241 nan 8.230 nan 0.000 0.432 358 L N -0.420 120.615 121.223 -0.313 0.000 2.633 358 L HA -0.104 3.331 4.340 -1.507 0.000 0.235 358 L C 2.146 178.881 176.870 -0.224 0.000 1.163 358 L CA 1.001 55.704 54.840 -0.229 0.000 0.859 358 L CB -0.653 41.279 42.059 -0.212 0.000 0.973 358 L HN 0.414 nan 8.230 nan 0.000 0.451 359 T N -5.214 109.158 114.554 -0.303 0.000 3.023 359 T HA 0.095 3.541 4.350 -1.507 0.000 0.253 359 T C 1.318 176.069 174.700 0.085 0.000 1.038 359 T CA -0.045 61.994 62.100 -0.102 0.000 0.962 359 T CB -0.216 68.583 68.868 -0.116 0.000 1.018 359 T HN 0.232 nan 8.240 nan 0.000 0.521 360 F N 1.669 121.599 119.950 -0.032 0.000 2.615 360 F HA 0.461 4.059 4.527 -1.548 0.000 0.297 360 F C 1.736 177.455 175.800 -0.134 0.000 1.124 360 F CA -0.065 57.906 58.000 -0.048 0.000 1.451 360 F CB 0.446 39.432 39.000 -0.022 0.000 1.103 360 F HN 0.532 nan 8.300 nan 0.000 0.569 361 G N -0.779 107.949 108.800 -0.120 0.000 2.341 361 G HA2 0.188 3.244 3.960 -1.507 0.000 0.299 361 G HA3 0.188 3.244 3.960 -1.507 0.000 0.299 361 G C -1.986 172.624 174.900 -0.483 0.000 1.274 361 G CA -0.653 44.317 45.100 -0.218 0.000 0.853 361 G HN -0.272 nan 8.290 nan 0.000 0.493 362 Q N 0.248 119.838 119.800 -0.349 0.000 2.314 362 Q HA 0.556 3.991 4.340 -1.507 0.000 0.259 362 Q C -1.122 174.651 176.000 -0.379 0.000 0.951 362 Q CA -0.371 55.184 55.803 -0.413 0.000 0.909 362 Q CB 0.970 29.500 28.738 -0.346 0.000 1.236 362 Q HN 0.360 nan 8.270 nan 0.000 0.444 363 F N 0.601 120.478 119.950 -0.122 0.000 2.394 363 F HA 0.194 3.840 4.527 -1.468 0.000 0.340 363 F C 1.652 177.492 175.800 0.066 0.000 1.105 363 F CA -0.481 57.505 58.000 -0.023 0.000 1.124 363 F CB 1.410 40.393 39.000 -0.029 0.000 1.145 363 F HN 0.467 nan 8.300 nan 0.000 0.505 364 S N 0.783 116.719 115.700 0.393 0.000 2.414 364 S HA -0.055 3.511 4.470 -1.507 0.000 0.227 364 S C 0.055 174.822 174.600 0.280 0.000 1.022 364 S CA 0.283 58.721 58.200 0.397 0.000 0.958 364 S CB 0.079 63.464 63.200 0.307 0.000 0.797 364 S HN 0.685 nan 8.310 nan 0.000 0.493 365 C N 0.733 120.162 119.300 0.215 0.000 2.985 365 C HA 0.670 4.225 4.460 -1.507 0.000 0.332 365 C C -1.719 173.326 174.990 0.091 0.000 1.164 365 C CA -1.148 57.959 59.018 0.148 0.000 1.347 365 C CB 0.247 28.047 27.740 0.100 0.000 1.764 365 C HN 0.381 nan 8.230 nan 0.000 0.489 366 I N 4.701 125.317 120.570 0.077 0.000 2.436 366 I HA 0.491 3.756 4.170 -1.507 0.000 0.289 366 I C -0.515 175.569 176.117 -0.055 0.000 1.010 366 I CA -0.330 60.974 61.300 0.006 0.000 1.098 366 I CB 1.678 39.712 38.000 0.056 0.000 1.266 366 I HN 0.616 nan 8.210 nan 0.000 0.434 367 K N 5.279 125.583 120.400 -0.160 0.000 2.463 367 K HA 0.758 4.173 4.320 -1.507 0.000 0.255 367 K C -0.926 175.559 176.600 -0.192 0.000 0.942 367 K CA -0.358 55.844 56.287 -0.142 0.000 0.814 367 K CB 2.076 34.487 32.500 -0.147 0.000 1.122 367 K HN 0.844 nan 8.250 nan 0.000 0.425 368 G N 2.149 110.876 108.800 -0.121 0.000 2.694 368 G HA2 0.294 3.350 3.960 -1.507 0.000 0.290 368 G HA3 0.294 3.350 3.960 -1.507 0.000 0.290 368 G C -1.289 173.587 174.900 -0.039 0.000 1.386 368 G CA -0.985 44.046 45.100 -0.115 0.000 0.872 368 G HN 0.739 nan 8.290 nan 0.000 0.475 369 N N -1.499 117.189 118.700 -0.021 0.000 2.447 369 N HA 0.341 4.177 4.740 -1.507 0.000 0.271 369 N C 1.661 177.197 175.510 0.042 0.000 1.226 369 N CA 0.192 53.255 53.050 0.022 0.000 0.980 369 N CB 1.090 39.592 38.487 0.024 0.000 1.206 369 N HN 0.519 nan 8.380 nan 0.000 0.558 370 S N -0.413 115.327 115.700 0.067 0.000 2.393 370 S HA -0.309 3.256 4.470 -1.507 0.000 0.234 370 S C 1.651 176.285 174.600 0.057 0.000 1.064 370 S CA 1.835 60.079 58.200 0.073 0.000 1.088 370 S CB -1.201 62.047 63.200 0.079 0.000 0.939 370 S HN 0.552 nan 8.310 nan 0.000 0.448 371 S N 1.790 117.522 115.700 0.053 0.000 2.335 371 S HA -0.034 3.532 4.470 -1.507 0.000 0.217 371 S C 1.955 176.600 174.600 0.075 0.000 1.032 371 S CA 1.088 59.325 58.200 0.061 0.000 0.985 371 S CB -0.516 62.719 63.200 0.059 0.000 0.896 371 S HN 0.670 nan 8.310 nan 0.000 0.445 372 E N 0.692 120.928 120.200 0.061 0.000 2.136 372 E HA -0.189 3.256 4.350 -1.507 0.000 0.202 372 E C 1.897 178.478 176.600 -0.032 0.000 1.019 372 E CA 1.231 57.654 56.400 0.039 0.000 0.819 372 E CB -0.209 29.470 29.700 -0.035 0.000 0.739 372 E HN 0.335 nan 8.360 nan 0.000 0.458 373 I N 0.619 121.182 120.570 -0.012 0.000 2.233 373 I HA -0.198 3.067 4.170 -1.507 0.000 0.243 373 I C 2.420 178.550 176.117 0.023 0.000 1.093 373 I CA 1.032 62.326 61.300 -0.009 0.000 1.380 373 I CB -0.814 37.201 38.000 0.025 0.000 1.067 373 I HN 0.181 nan 8.210 nan 0.000 0.413 374 L N 0.480 121.728 121.223 0.043 0.000 2.042 374 L HA -0.178 3.258 4.340 -1.507 0.000 0.210 374 L C 2.644 179.559 176.870 0.076 0.000 1.076 374 L CA 1.631 56.501 54.840 0.050 0.000 0.749 374 L CB -1.171 40.916 42.059 0.048 0.000 0.893 374 L HN 0.293 nan 8.230 nan 0.000 0.432 375 G N 0.067 108.934 108.800 0.112 0.000 2.446 375 G HA2 -0.247 2.809 3.960 -1.507 0.000 0.217 375 G HA3 -0.247 2.809 3.960 -1.507 0.000 0.217 375 G C 1.619 176.646 174.900 0.211 0.000 1.168 375 G CA 0.653 45.872 45.100 0.199 0.000 0.771 375 G HN 0.245 nan 8.290 nan 0.000 0.551 376 L N 0.641 121.908 121.223 0.073 0.000 2.131 376 L HA -0.023 3.413 4.340 -1.507 0.000 0.210 376 L C 3.213 180.169 176.870 0.143 0.000 1.092 376 L CA 0.877 55.734 54.840 0.027 0.000 0.759 376 L CB -0.186 41.779 42.059 -0.156 0.000 0.903 376 L HN 0.324 nan 8.230 nan 0.000 0.435 377 A N -0.971 121.907 122.820 0.097 0.000 2.206 377 A HA -0.087 3.328 4.320 -1.507 0.000 0.211 377 A C 0.940 178.565 177.584 0.068 0.000 1.158 377 A CA 0.330 52.414 52.037 0.079 0.000 0.761 377 A CB -0.220 18.810 19.000 0.051 0.000 0.801 377 A HN 0.533 nan 8.150 nan 0.000 0.473 378 E N -3.155 117.099 120.200 0.090 0.000 2.513 378 E HA -0.234 3.211 4.350 -1.507 0.000 0.257 378 E C 0.299 176.929 176.600 0.050 0.000 1.098 378 E CA 0.206 56.652 56.400 0.078 0.000 0.752 378 E CB -2.834 26.905 29.700 0.066 0.000 1.324 378 E HN 0.788 nan 8.360 nan 0.000 0.403 395 N N -0.521 118.154 118.700 -0.042 0.000 2.065 395 N HA 0.270 4.106 4.740 -1.507 0.000 0.266 395 N C 0.716 176.116 175.510 -0.184 0.000 1.109 395 N CA 0.630 53.636 53.050 -0.073 0.000 0.763 395 N CB 0.246 38.691 38.487 -0.070 0.000 1.660 395 N HN 0.510 nan 8.380 nan 0.000 0.603 396 E N 0.367 120.482 120.200 -0.141 0.000 2.208 396 E HA -0.058 3.387 4.350 -1.507 0.000 0.193 396 E C 1.382 177.889 176.600 -0.156 0.000 0.988 396 E CA 0.553 56.858 56.400 -0.158 0.000 0.828 396 E CB 0.248 29.889 29.700 -0.098 0.000 0.763 396 E HN 0.193 nan 8.360 nan 0.000 0.478 397 L N 1.007 122.161 121.223 -0.116 0.000 2.005 397 L HA -0.129 3.307 4.340 -1.507 0.000 0.207 397 L C 2.010 178.809 176.870 -0.118 0.000 1.072 397 L CA 1.533 56.319 54.840 -0.090 0.000 0.744 397 L CB -0.361 41.669 42.059 -0.049 0.000 0.895 397 L HN 0.122 nan 8.230 nan 0.000 0.433 398 L N -0.822 120.318 121.223 -0.139 0.000 2.079 398 L HA -0.280 3.156 4.340 -1.507 0.000 0.210 398 L C 2.542 179.227 176.870 -0.309 0.000 1.081 398 L CA 1.441 56.191 54.840 -0.151 0.000 0.752 398 L CB -0.518 41.503 42.059 -0.064 0.000 0.896 398 L HN 0.350 nan 8.230 nan 0.000 0.433 399 I N -0.771 119.495 120.570 -0.507 0.000 2.202 399 I HA -0.307 2.959 4.170 -1.507 0.000 0.242 399 I C 2.653 178.632 176.117 -0.229 0.000 1.091 399 I CA 1.291 62.279 61.300 -0.521 0.000 1.368 399 I CB -0.426 37.254 38.000 -0.532 0.000 1.058 399 I HN 0.437 nan 8.210 nan 0.000 0.410 400 Q N 1.183 120.883 119.800 -0.168 0.000 2.030 400 Q HA -0.246 3.190 4.340 -1.507 0.000 0.204 400 Q C 2.363 178.325 176.000 -0.064 0.000 0.986 400 Q CA 2.268 58.013 55.803 -0.098 0.000 0.843 400 Q CB -0.087 28.602 28.738 -0.081 0.000 0.904 400 Q HN 0.517 nan 8.270 nan 0.000 0.420 401 A N 0.255 123.041 122.820 -0.058 0.000 1.873 401 A HA -0.249 3.167 4.320 -1.507 0.000 0.218 401 A C 2.271 179.859 177.584 0.006 0.000 1.193 401 A CA 2.338 54.365 52.037 -0.017 0.000 0.629 401 A CB -1.346 17.648 19.000 -0.009 0.000 0.826 401 A HN 0.540 nan 8.150 nan 0.000 0.447 402 T N 0.180 114.732 114.554 -0.004 0.000 2.699 402 T HA -0.189 3.257 4.350 -1.507 0.000 0.268 402 T C 1.885 176.623 174.700 0.063 0.000 1.036 402 T CA 1.828 63.956 62.100 0.047 0.000 1.147 402 T CB -0.271 68.639 68.868 0.070 0.000 0.862 402 T HN 0.574 nan 8.240 nan 0.000 0.446 403 K N 0.596 121.014 120.400 0.031 0.000 2.025 403 K HA 0.030 3.446 4.320 -1.507 0.000 0.207 403 K C 2.306 178.951 176.600 0.075 0.000 1.049 403 K CA 1.097 57.411 56.287 0.046 0.000 0.933 403 K CB -0.473 32.025 32.500 -0.004 0.000 0.714 403 K HN 0.340 nan 8.250 nan 0.000 0.438 404 I N 1.152 121.748 120.570 0.045 0.000 2.145 404 I HA -0.335 2.931 4.170 -1.507 0.000 0.244 404 I C 2.419 178.596 176.117 0.100 0.000 1.075 404 I CA 1.343 62.680 61.300 0.062 0.000 1.332 404 I CB -0.461 37.557 38.000 0.029 0.000 1.033 404 I HN -0.069 nan 8.210 nan 0.000 0.410 405 V N 0.817 120.796 119.914 0.108 0.000 2.307 405 V HA -0.289 2.927 4.120 -1.507 0.000 0.245 405 V C 2.701 178.910 176.094 0.192 0.000 1.045 405 V CA 1.995 64.398 62.300 0.171 0.000 1.024 405 V CB -0.962 30.959 31.823 0.164 0.000 0.651 405 V HN 0.518 nan 8.190 nan 0.000 0.449 406 A N -0.752 122.166 122.820 0.162 0.000 1.908 406 A HA -0.277 3.139 4.320 -1.507 0.000 0.218 406 A C 2.143 179.809 177.584 0.137 0.000 1.181 406 A CA 2.275 54.408 52.037 0.159 0.000 0.627 406 A CB -0.733 18.354 19.000 0.146 0.000 0.818 406 A HN 0.556 nan 8.150 nan 0.000 0.445 407 F N 0.133 120.073 119.950 -0.016 0.000 2.163 407 F HA -0.061 3.569 4.527 -1.495 0.000 0.297 407 F C 2.218 177.931 175.800 -0.145 0.000 1.094 407 F CA 2.022 59.982 58.000 -0.067 0.000 1.290 407 F CB -0.055 38.905 39.000 -0.067 0.000 1.017 407 F HN 0.159 nan 8.300 nan 0.000 0.483 408 K N -0.031 120.285 120.400 -0.141 0.000 2.020 408 K HA -0.232 3.184 4.320 -1.507 0.000 0.212 408 K C 1.220 177.423 176.600 -0.663 0.000 1.050 408 K CA 2.161 58.173 56.287 -0.458 0.000 0.929 408 K CB -0.649 31.506 32.500 -0.574 0.000 0.714 408 K HN 0.442 nan 8.250 nan 0.000 0.443 409 Y N 1.044 121.253 120.300 -0.153 0.000 2.532 409 Y HA 0.219 3.854 4.550 -1.524 0.000 0.283 409 Y C -0.339 175.420 175.900 -0.234 0.000 1.181 409 Y CA -0.507 57.495 58.100 -0.162 0.000 1.256 409 Y CB 0.439 38.878 38.460 -0.035 0.000 1.112 409 Y HN -0.127 nan 8.280 nan 0.000 0.521 410 K N 1.473 121.707 120.400 -0.277 0.000 3.777 410 K HA -0.230 3.185 4.320 -1.507 0.000 0.276 410 K C -0.029 176.552 176.600 -0.032 0.000 0.877 410 K CA 1.106 57.207 56.287 -0.310 0.000 0.724 410 K CB -1.379 30.631 32.500 -0.816 0.000 1.589 410 K HN 0.456 nan 8.250 nan 0.000 0.444 411 T N -2.001 112.603 114.554 0.083 0.000 2.787 411 T HA 0.464 3.910 4.350 -1.507 0.000 0.297 411 T C -0.891 173.926 174.700 0.195 0.000 1.221 411 T CA -0.618 61.592 62.100 0.183 0.000 1.006 411 T CB 1.750 70.736 68.868 0.196 0.000 1.328 411 T HN -0.053 nan 8.240 nan 0.000 0.509 412 V N 2.671 122.721 119.914 0.226 0.000 2.427 412 V HA 0.634 3.850 4.120 -1.507 0.000 0.268 412 V C 0.646 176.855 176.094 0.191 0.000 1.046 412 V CA -0.340 62.096 62.300 0.227 0.000 0.970 412 V CB 0.305 32.295 31.823 0.278 0.000 1.001 412 V HN 0.983 nan 8.190 nan 0.000 0.476 413 A N 5.547 128.476 122.820 0.181 0.000 2.317 413 A HA 0.821 4.237 4.320 -1.507 0.000 0.327 413 A C -0.673 176.997 177.584 0.145 0.000 1.178 413 A CA -0.511 51.612 52.037 0.144 0.000 0.817 413 A CB 1.394 20.477 19.000 0.138 0.000 1.189 413 A HN 0.623 nan 8.150 nan 0.000 0.489 414 V N 1.441 121.413 119.914 0.097 0.000 2.495 414 V HA 0.432 3.647 4.120 -1.507 0.000 0.298 414 V C -0.378 175.764 176.094 0.079 0.000 1.031 414 V CA -0.607 61.748 62.300 0.092 0.000 0.871 414 V CB 1.321 33.168 31.823 0.040 0.000 0.988 414 V HN 1.010 nan 8.190 nan 0.000 0.432 415 C N 5.710 125.093 119.300 0.139 0.000 2.291 415 C HA 0.692 4.248 4.460 -1.507 0.000 0.322 415 C C 0.774 175.845 174.990 0.135 0.000 1.205 415 C CA -0.331 58.776 59.018 0.149 0.000 1.495 415 C CB -0.119 27.763 27.740 0.238 0.000 2.127 415 C HN 1.042 nan 8.230 nan 0.000 0.452 416 T N 3.246 117.843 114.554 0.072 0.000 2.889 416 T HA 0.796 4.242 4.350 -1.507 0.000 0.291 416 T C 0.443 175.188 174.700 0.074 0.000 0.995 416 T CA 0.403 62.533 62.100 0.051 0.000 1.092 416 T CB 1.576 70.457 68.868 0.022 0.000 0.954 416 T HN 1.485 nan 8.240 nan 0.000 0.506 417 G N 1.651 110.487 108.800 0.060 0.000 2.450 417 G HA2 0.308 3.363 3.960 -1.507 0.000 0.273 417 G HA3 0.308 3.363 3.960 -1.507 0.000 0.273 417 G C 0.148 175.080 174.900 0.054 0.000 1.221 417 G CA 0.067 45.216 45.100 0.080 0.000 0.900 417 G HN 0.667 nan 8.290 nan 0.000 0.483 418 E N -0.689 119.567 120.200 0.095 0.000 2.049 418 E HA -0.022 3.424 4.350 -1.507 0.000 0.198 418 E C 0.217 176.755 176.600 -0.104 0.000 1.007 418 E CA 1.251 57.679 56.400 0.046 0.000 0.809 418 E CB -0.195 29.622 29.700 0.196 0.000 0.749 418 E HN 0.287 nan 8.360 nan 0.000 0.450 419 F N 0.955 120.812 119.950 -0.155 0.000 2.421 419 F HA 0.296 3.919 4.527 -1.508 0.000 0.337 419 F C -0.031 175.454 175.800 -0.525 0.000 1.105 419 F CA -1.162 56.611 58.000 -0.379 0.000 1.049 419 F CB 1.192 39.837 39.000 -0.590 0.000 1.139 419 F HN -0.159 nan 8.300 nan 0.000 0.479 420 D N 3.095 123.313 120.400 -0.304 0.000 2.193 420 D HA 0.292 4.028 4.640 -1.507 0.000 0.244 420 D C -0.825 175.270 176.300 -0.342 0.000 1.064 420 D CA -0.049 53.814 54.000 -0.229 0.000 0.845 420 D CB 1.380 42.140 40.800 -0.066 0.000 1.148 420 D HN 0.186 nan 8.370 nan 0.000 0.464 421 F N 1.627 121.653 119.950 0.127 0.000 2.436 421 F HA 0.474 4.096 4.527 -1.508 0.000 0.340 421 F C 0.281 176.153 175.800 0.120 0.000 1.113 421 F CA -0.991 57.083 58.000 0.123 0.000 1.022 421 F CB 1.237 40.298 39.000 0.102 0.000 1.128 421 F HN 0.043 nan 8.300 nan 0.000 0.466 422 I N 2.940 123.706 120.570 0.328 0.000 2.436 422 I HA 0.643 3.909 4.170 -1.507 0.000 0.289 422 I C -0.447 175.898 176.117 0.378 0.000 1.010 422 I CA -0.423 61.062 61.300 0.308 0.000 1.098 422 I CB 1.810 39.962 38.000 0.254 0.000 1.266 422 I HN 0.654 nan 8.210 nan 0.000 0.434 423 A N 3.659 126.660 122.820 0.303 0.000 2.365 423 A HA 0.710 4.126 4.320 -1.507 0.000 0.318 423 A C -1.206 176.448 177.584 0.117 0.000 1.091 423 A CA -0.503 51.647 52.037 0.189 0.000 0.763 423 A CB 1.202 20.281 19.000 0.131 0.000 1.248 423 A HN 0.603 nan 8.150 nan 0.000 0.442 424 D N 2.147 122.469 120.400 -0.129 0.000 2.472 424 D HA 0.434 4.170 4.640 -1.507 0.000 0.234 424 D C 0.807 177.082 176.300 -0.041 0.000 1.088 424 D CA 0.192 54.074 54.000 -0.196 0.000 0.882 424 D CB 0.962 41.309 40.800 -0.754 0.000 1.037 424 D HN 0.536 nan 8.370 nan 0.000 0.520 425 G N 1.969 110.815 108.800 0.077 0.000 3.337 425 G HA2 -0.063 2.992 3.960 -1.507 0.000 0.246 425 G HA3 -0.063 2.992 3.960 -1.507 0.000 0.246 425 G C 1.307 176.278 174.900 0.117 0.000 1.131 425 G CA 0.404 45.586 45.100 0.136 0.000 0.773 425 G HN 0.515 nan 8.290 nan 0.000 0.544 426 T N -0.748 113.900 114.554 0.156 0.000 2.995 426 T HA 0.004 3.449 4.350 -1.507 0.000 0.269 426 T C 1.558 176.435 174.700 0.294 0.000 1.091 426 T CA 0.390 62.661 62.100 0.285 0.000 1.128 426 T CB -0.336 68.731 68.868 0.332 0.000 0.891 426 T HN 0.586 nan 8.240 nan 0.000 0.492 427 I N 1.923 122.604 120.570 0.186 0.000 6.697 427 I HA -0.282 2.984 4.170 -1.507 0.000 0.126 427 I C 0.286 176.503 176.117 0.167 0.000 1.764 427 I CA 0.884 62.289 61.300 0.175 0.000 2.245 427 I CB -2.305 35.828 38.000 0.222 0.000 3.404 427 I HN 0.537 nan 8.210 nan 0.000 0.228 428 E N -0.713 119.558 120.200 0.119 0.000 2.805 428 E HA -0.288 3.158 4.350 -1.507 0.000 0.266 428 E C 1.136 177.776 176.600 0.066 0.000 1.092 428 E CA 0.803 57.243 56.400 0.067 0.000 0.781 428 E CB -1.659 28.066 29.700 0.040 0.000 1.379 428 E HN 1.228 nan 8.360 nan 0.000 0.433 429 G N 0.572 109.462 108.800 0.151 0.000 2.295 429 G HA2 -0.336 2.720 3.960 -1.507 0.000 0.287 429 G HA3 -0.336 2.720 3.960 -1.507 0.000 0.287 429 G C -0.054 174.855 174.900 0.016 0.000 1.055 429 G CA 0.684 45.790 45.100 0.010 0.000 0.922 429 G HN 0.074 nan 8.290 nan 0.000 0.503 430 K N -0.187 120.330 120.400 0.195 0.000 2.185 430 K HA 0.589 4.005 4.320 -1.507 0.000 0.269 430 K C 0.000 176.789 176.600 0.314 0.000 0.987 430 K CA -0.571 55.800 56.287 0.141 0.000 0.865 430 K CB 1.459 34.024 32.500 0.109 0.000 1.090 430 K HN 0.603 nan 8.250 nan 0.000 0.450 431 Y N -1.671 118.719 120.300 0.151 0.000 2.581 431 Y HA 0.676 4.341 4.550 -1.475 0.000 0.345 431 Y C -0.448 175.507 175.900 0.091 0.000 1.036 431 Y CA -1.075 57.120 58.100 0.158 0.000 1.042 431 Y CB 1.656 40.228 38.460 0.187 0.000 1.289 431 Y HN 0.551 nan 8.280 nan 0.000 0.471 432 S N 1.694 117.556 115.700 0.270 0.000 2.588 432 S HA 0.689 4.254 4.470 -1.507 0.000 0.269 432 S C -1.459 173.246 174.600 0.174 0.000 1.157 432 S CA -1.123 57.173 58.200 0.160 0.000 0.824 432 S CB 1.101 64.348 63.200 0.079 0.000 1.126 432 S HN 0.896 nan 8.310 nan 0.000 0.464 440 T N 2.467 117.035 114.554 0.025 0.000 2.775 440 T HA 0.461 3.906 4.350 -1.507 0.000 0.287 440 T C 1.018 175.637 174.700 -0.135 0.000 0.909 440 T CA 0.600 62.694 62.100 -0.009 0.000 1.081 440 T CB 0.854 69.763 68.868 0.069 0.000 0.891 440 T HN 0.656 nan 8.240 nan 0.000 0.544 441 S N 2.520 118.074 115.700 -0.244 0.000 2.686 441 S HA 0.309 3.874 4.470 -1.507 0.000 0.270 441 S C 1.684 175.842 174.600 -0.737 0.000 1.194 441 S CA -0.902 57.012 58.200 -0.477 0.000 0.990 441 S CB 0.689 63.722 63.200 -0.278 0.000 1.029 441 S HN 0.243 nan 8.310 nan 0.000 0.560 442 V N 1.765 121.161 119.914 -0.863 0.000 2.370 442 V HA -0.176 3.040 4.120 -1.507 0.000 0.252 442 V C 2.636 178.549 176.094 -0.301 0.000 1.068 442 V CA 2.362 64.298 62.300 -0.607 0.000 1.061 442 V CB -1.036 30.590 31.823 -0.329 0.000 0.656 442 V HN 0.840 nan 8.190 nan 0.000 0.455 443 E N 0.760 120.817 120.200 -0.239 0.000 2.152 443 E HA -0.156 3.290 4.350 -1.507 0.000 0.192 443 E C 1.155 177.691 176.600 -0.107 0.000 0.983 443 E CA 1.432 57.748 56.400 -0.140 0.000 0.818 443 E CB -0.294 29.338 29.700 -0.114 0.000 0.758 443 E HN 0.940 nan 8.360 nan 0.000 0.467 444 D N 0.262 120.590 120.400 -0.120 0.000 2.571 444 D HA 0.114 3.850 4.640 -1.507 0.000 0.239 444 D C 0.874 177.142 176.300 -0.054 0.000 1.267 444 D CA -0.376 53.581 54.000 -0.072 0.000 0.823 444 D CB -0.667 40.095 40.800 -0.064 0.000 1.056 444 D HN 0.182 nan 8.370 nan 0.000 0.494 445 I N -2.416 118.119 120.570 -0.058 0.000 2.662 445 I HA 0.457 3.722 4.170 -1.507 0.000 0.291 445 I C -2.120 173.979 176.117 -0.031 0.000 1.046 445 I CA -2.249 59.033 61.300 -0.030 0.000 1.361 445 I CB 0.374 38.379 38.000 0.007 0.000 1.429 445 I HN -0.293 nan 8.210 nan 0.000 0.558 446 P HA 0.022 nan 4.420 nan 0.000 0.264 446 P C -0.879 176.413 177.300 -0.013 0.000 1.193 446 P CA -0.133 62.934 63.100 -0.054 0.000 0.763 446 P CB 0.614 32.188 31.700 -0.208 0.000 0.810 447 C N 4.944 124.314 119.300 0.117 0.000 2.516 447 C HA 0.562 4.118 4.460 -1.507 0.000 0.338 447 C C -0.177 174.966 174.990 0.255 0.000 1.132 447 C CA -0.350 58.782 59.018 0.189 0.000 1.310 447 C CB 0.490 28.307 27.740 0.128 0.000 1.898 447 C HN 0.566 nan 8.230 nan 0.000 0.452 448 V N 3.671 123.772 119.914 0.312 0.000 3.096 448 V HA 1.054 4.270 4.120 -1.507 0.000 0.319 448 V C 0.031 176.292 176.094 0.279 0.000 1.103 448 V CA -0.092 62.349 62.300 0.234 0.000 1.016 448 V CB 1.551 33.466 31.823 0.153 0.000 1.090 448 V HN 1.498 nan 8.190 nan 0.000 0.449 449 A N 1.098 124.044 122.820 0.211 0.000 2.423 449 A HA 0.921 4.336 4.320 -1.507 0.000 0.304 449 A C -1.056 176.566 177.584 0.064 0.000 1.104 449 A CA -0.709 51.425 52.037 0.162 0.000 0.757 449 A CB 2.127 21.297 19.000 0.282 0.000 1.313 449 A HN 1.516 nan 8.150 nan 0.000 0.423 450 V N 2.056 121.955 119.914 -0.025 0.000 2.488 450 V HA 0.467 3.683 4.120 -1.507 0.000 0.293 450 V C -1.010 174.999 176.094 -0.143 0.000 1.027 450 V CA -0.415 61.858 62.300 -0.045 0.000 0.862 450 V CB 1.341 33.145 31.823 -0.032 0.000 1.008 450 V HN 1.070 nan 8.190 nan 0.000 0.428 451 E N 3.763 123.846 120.200 -0.195 0.000 2.336 451 E HA 0.919 4.365 4.350 -1.507 0.000 0.267 451 E C 0.109 176.545 176.600 -0.273 0.000 0.906 451 E CA -0.521 55.618 56.400 -0.435 0.000 0.781 451 E CB 2.464 31.567 29.700 -0.996 0.000 1.261 451 E HN 0.511 nan 8.360 nan 0.000 0.436 452 A N 1.091 123.744 122.820 -0.279 0.000 2.664 452 A HA 0.670 4.086 4.320 -1.507 0.000 0.222 452 A C 0.753 178.252 177.584 -0.142 0.000 1.320 452 A CA 0.264 52.205 52.037 -0.159 0.000 1.029 452 A CB 0.033 18.969 19.000 -0.106 0.000 1.318 452 A HN 1.339 nan 8.150 nan 0.000 0.589 453 G N 0.748 109.432 108.800 -0.193 0.000 2.719 453 G HA2 0.083 3.139 3.960 -1.507 0.000 0.686 453 G HA3 0.083 3.139 3.960 -1.507 0.000 0.686 453 G C -2.556 172.287 174.900 -0.094 0.000 1.201 453 G CA -0.467 44.557 45.100 -0.126 0.000 0.768 453 G HN 0.388 nan 8.290 nan 0.000 0.629 454 P HA 0.407 nan 4.420 nan 0.000 0.267 454 P C 0.326 177.601 177.300 -0.042 0.000 1.195 454 P CA 0.282 63.356 63.100 -0.044 0.000 0.773 454 P CB 0.618 32.303 31.700 -0.023 0.000 0.837 466 C N 2.281 121.604 119.300 0.040 0.000 2.511 466 C HA 0.412 3.968 4.460 -1.507 0.000 0.277 466 C C 2.889 177.848 174.990 -0.052 0.000 1.451 466 C CA 1.593 60.589 59.018 -0.037 0.000 1.735 466 C CB -1.435 26.296 27.740 -0.014 0.000 1.704 466 C HN 0.384 nan 8.230 nan 0.000 0.571 467 S N 0.421 116.084 115.700 -0.062 0.000 2.395 467 S HA -0.079 3.486 4.470 -1.507 0.000 0.225 467 S C 1.582 175.949 174.600 -0.389 0.000 1.027 467 S CA 0.931 59.026 58.200 -0.176 0.000 0.965 467 S CB -0.267 62.997 63.200 0.107 0.000 0.812 467 S HN 0.639 nan 8.310 nan 0.000 0.482 468 L N 2.298 123.058 121.223 -0.771 0.000 2.141 468 L HA 0.072 3.508 4.340 -1.507 0.000 0.209 468 L C 2.124 178.768 176.870 -0.376 0.000 1.094 468 L CA 1.815 56.139 54.840 -0.859 0.000 0.763 468 L CB -1.281 40.265 42.059 -0.855 0.000 0.908 468 L HN 0.287 nan 8.230 nan 0.000 0.437 469 G N -1.261 107.370 108.800 -0.281 0.000 2.446 469 G HA2 -0.273 2.783 3.960 -1.507 0.000 0.217 469 G HA3 -0.273 2.783 3.960 -1.507 0.000 0.217 469 G C 1.509 176.313 174.900 -0.159 0.000 1.168 469 G CA 0.970 45.951 45.100 -0.199 0.000 0.771 469 G HN 0.517 nan 8.290 nan 0.000 0.551 470 S N 0.269 115.895 115.700 -0.123 0.000 2.387 470 S HA -0.082 3.484 4.470 -1.507 0.000 0.226 470 S C 2.456 177.022 174.600 -0.057 0.000 1.026 470 S CA 1.554 59.721 58.200 -0.055 0.000 0.972 470 S CB -0.449 62.794 63.200 0.073 0.000 0.814 470 S HN 0.418 nan 8.310 nan 0.000 0.477 471 T N 3.156 117.662 114.554 -0.081 0.000 2.652 471 T HA 0.002 3.448 4.350 -1.507 0.000 0.267 471 T C 1.765 176.442 174.700 -0.038 0.000 1.039 471 T CA 1.264 63.340 62.100 -0.040 0.000 1.153 471 T CB -0.519 68.337 68.868 -0.021 0.000 0.863 471 T HN 0.306 nan 8.240 nan 0.000 0.428 472 I N 1.428 121.957 120.570 -0.068 0.000 2.248 472 I HA -0.237 3.029 4.170 -1.507 0.000 0.248 472 I C 2.896 178.994 176.117 -0.031 0.000 1.107 472 I CA 1.179 62.453 61.300 -0.044 0.000 1.373 472 I CB -0.516 37.448 38.000 -0.060 0.000 1.055 472 I HN 0.210 nan 8.210 nan 0.000 0.418 473 A N -0.256 122.529 122.820 -0.058 0.000 1.933 473 A HA -0.227 3.189 4.320 -1.507 0.000 0.218 473 A C 2.401 179.973 177.584 -0.020 0.000 1.175 473 A CA 1.847 53.850 52.037 -0.057 0.000 0.628 473 A CB -1.068 17.859 19.000 -0.122 0.000 0.814 473 A HN 0.556 nan 8.150 nan 0.000 0.444 474 C N -1.001 118.293 119.300 -0.010 0.000 2.475 474 C HA -0.001 3.555 4.460 -1.507 0.000 0.279 474 C C 2.854 177.853 174.990 0.015 0.000 1.322 474 C CA 0.952 59.975 59.018 0.010 0.000 1.734 474 C CB -0.857 26.892 27.740 0.014 0.000 2.005 474 C HN 0.569 nan 8.230 nan 0.000 0.495 475 M N 0.834 120.444 119.600 0.016 0.000 2.099 475 M HA -0.034 3.542 4.480 -1.507 0.000 0.262 475 M C 2.011 178.330 176.300 0.032 0.000 1.067 475 M CA 1.755 57.070 55.300 0.025 0.000 1.124 475 M CB -1.317 31.301 32.600 0.030 0.000 1.353 475 M HN 0.329 nan 8.290 nan 0.000 0.410 476 I N -0.074 120.518 120.570 0.036 0.000 2.286 476 I HA -0.180 3.086 4.170 -1.507 0.000 0.248 476 I C 2.576 178.732 176.117 0.066 0.000 1.115 476 I CA 1.294 62.624 61.300 0.051 0.000 1.392 476 I CB -1.150 36.882 38.000 0.053 0.000 1.065 476 I HN 0.338 nan 8.210 nan 0.000 0.418 477 G N 0.767 109.603 108.800 0.060 0.000 2.442 477 G HA2 -0.205 2.851 3.960 -1.507 0.000 0.219 477 G HA3 -0.205 2.851 3.960 -1.507 0.000 0.219 477 G C 1.668 176.632 174.900 0.106 0.000 1.141 477 G CA 0.894 46.049 45.100 0.091 0.000 0.763 477 G HN 0.516 nan 8.290 nan 0.000 0.554 478 G N -0.679 108.139 108.800 0.029 0.000 2.572 478 G HA2 0.079 3.134 3.960 -1.507 0.000 0.216 478 G HA3 0.079 3.134 3.960 -1.507 0.000 0.216 478 G C 0.852 175.740 174.900 -0.020 0.000 1.133 478 G CA -0.104 44.958 45.100 -0.064 0.000 0.791 478 G HN 0.308 nan 8.290 nan 0.000 0.538 479 Q N 1.166 121.004 119.800 0.064 0.000 2.337 479 Q HA 0.235 3.671 4.340 -1.507 0.000 0.270 479 Q C -2.170 173.911 176.000 0.135 0.000 1.002 479 Q CA -1.332 54.517 55.803 0.077 0.000 0.888 479 Q CB 1.119 29.897 28.738 0.067 0.000 1.222 479 Q HN 0.200 nan 8.270 nan 0.000 0.400 480 P HA 0.165 nan 4.420 nan 0.000 0.281 480 P C 0.564 177.901 177.300 0.063 0.000 1.281 480 P CA -0.468 62.706 63.100 0.123 0.000 0.811 480 P CB 0.648 32.402 31.700 0.090 0.000 1.154 481 S N -0.378 115.344 115.700 0.038 0.000 2.420 481 S HA -0.202 3.363 4.470 -1.507 0.000 0.237 481 S C 0.956 175.560 174.600 0.006 0.000 1.023 481 S CA 1.704 59.907 58.200 0.006 0.000 0.991 481 S CB -0.754 62.443 63.200 -0.005 0.000 0.792 481 S HN 0.462 nan 8.310 nan 0.000 0.488 482 E N 0.652 120.863 120.200 0.019 0.000 2.465 482 E HA 0.287 3.733 4.350 -1.507 0.000 0.191 482 E C 1.081 177.699 176.600 0.030 0.000 1.053 482 E CA 0.247 56.658 56.400 0.019 0.000 0.869 482 E CB -0.199 29.514 29.700 0.021 0.000 0.977 482 E HN 0.458 nan 8.360 nan 0.000 0.483 483 G N 1.029 109.850 108.800 0.035 0.000 2.479 483 G HA2 0.114 3.170 3.960 -1.507 0.000 0.275 483 G HA3 0.114 3.170 3.960 -1.507 0.000 0.275 483 G C -0.405 174.527 174.900 0.053 0.000 1.421 483 G CA -0.441 44.689 45.100 0.050 0.000 1.059 483 G HN 0.254 nan 8.290 nan 0.000 0.535 484 N N -1.909 116.834 118.700 0.071 0.000 2.542 484 N HA 0.201 4.037 4.740 -1.507 0.000 0.288 484 N C 0.621 176.172 175.510 0.068 0.000 1.115 484 N CA -0.645 52.441 53.050 0.059 0.000 0.924 484 N CB 1.589 40.116 38.487 0.067 0.000 1.526 484 N HN 0.286 nan 8.380 nan 0.000 0.515 485 L N 4.042 125.300 121.223 0.059 0.000 2.013 485 L HA 0.021 3.457 4.340 -1.507 0.000 0.212 485 L C 1.519 178.478 176.870 0.148 0.000 1.073 485 L CA 1.926 56.821 54.840 0.091 0.000 0.753 485 L CB -0.853 41.258 42.059 0.085 0.000 0.890 485 L HN 0.761 nan 8.230 nan 0.000 0.432 486 F N -0.245 119.688 119.950 -0.028 0.000 2.075 486 F HA -0.231 3.391 4.527 -1.508 0.000 0.297 486 F C 2.646 178.459 175.800 0.021 0.000 1.113 486 F CA 2.011 59.993 58.000 -0.030 0.000 1.218 486 F CB -0.714 38.223 39.000 -0.105 0.000 0.984 486 F HN 0.273 nan 8.300 nan 0.000 0.472 487 H N -0.001 119.032 119.070 -0.061 0.000 2.387 487 H HA -0.061 3.591 4.556 -1.506 0.000 0.299 487 H C 2.365 177.615 175.328 -0.129 0.000 1.099 487 H CA 1.281 57.227 56.048 -0.170 0.000 1.315 487 H CB -1.093 28.642 29.762 -0.045 0.000 1.380 487 H HN 0.368 nan 8.280 nan 0.000 0.513 488 A N 0.531 123.395 122.820 0.075 0.000 1.902 488 A HA -0.120 3.296 4.320 -1.507 0.000 0.217 488 A C 2.858 180.451 177.584 0.014 0.000 1.181 488 A CA 1.738 53.803 52.037 0.048 0.000 0.623 488 A CB -0.853 18.182 19.000 0.058 0.000 0.818 488 A HN 0.229 nan 8.150 nan 0.000 0.443 489 V N -0.274 119.639 119.914 -0.002 0.000 2.295 489 V HA -0.240 2.976 4.120 -1.507 0.000 0.246 489 V C 2.576 178.640 176.094 -0.050 0.000 1.049 489 V CA 2.010 64.306 62.300 -0.006 0.000 1.024 489 V CB -0.898 30.950 31.823 0.040 0.000 0.648 489 V HN 0.375 nan 8.190 nan 0.000 0.447 490 V N 0.421 120.243 119.914 -0.153 0.000 2.295 490 V HA -0.277 2.939 4.120 -1.507 0.000 0.246 490 V C 2.763 178.837 176.094 -0.033 0.000 1.049 490 V CA 2.004 64.216 62.300 -0.148 0.000 1.024 490 V CB -1.319 30.327 31.823 -0.294 0.000 0.648 490 V HN 0.556 nan 8.190 nan 0.000 0.447 491 A N 0.757 123.571 122.820 -0.010 0.000 1.884 491 A HA -0.212 3.203 4.320 -1.507 0.000 0.219 491 A C 2.457 180.102 177.584 0.102 0.000 1.197 491 A CA 2.397 54.474 52.037 0.065 0.000 0.637 491 A CB -1.455 17.579 19.000 0.056 0.000 0.827 491 A HN 0.551 nan 8.150 nan 0.000 0.450 492 G N -0.835 107.998 108.800 0.055 0.000 2.446 492 G HA2 -0.140 2.916 3.960 -1.507 0.000 0.217 492 G HA3 -0.140 2.916 3.960 -1.507 0.000 0.217 492 G C 1.515 176.449 174.900 0.057 0.000 1.168 492 G CA 1.350 46.478 45.100 0.047 0.000 0.771 492 G HN 0.377 nan 8.290 nan 0.000 0.551 493 V N 1.166 121.104 119.914 0.040 0.000 2.427 493 V HA -0.168 3.048 4.120 -1.507 0.000 0.248 493 V C 2.954 179.099 176.094 0.085 0.000 1.051 493 V CA 1.657 63.990 62.300 0.055 0.000 1.048 493 V CB -0.350 31.488 31.823 0.025 0.000 0.666 493 V HN 0.290 nan 8.190 nan 0.000 0.456 494 M N -0.831 118.825 119.600 0.092 0.000 2.065 494 M HA -0.188 3.388 4.480 -1.507 0.000 0.259 494 M C 2.311 178.653 176.300 0.070 0.000 1.071 494 M CA 1.907 57.291 55.300 0.140 0.000 1.109 494 M CB -1.091 31.658 32.600 0.248 0.000 1.313 494 M HN 0.294 nan 8.290 nan 0.000 0.408 495 L N -0.860 120.388 121.223 0.042 0.000 1.978 495 L HA -0.332 3.104 4.340 -1.507 0.000 0.218 495 L C 2.658 179.382 176.870 -0.244 0.000 1.075 495 L CA 2.130 56.785 54.840 -0.309 0.000 0.767 495 L CB -0.721 41.266 42.059 -0.121 0.000 0.890 495 L HN 0.225 nan 8.230 nan 0.000 0.434 496 Y N 0.704 120.904 120.300 -0.166 0.000 2.097 496 Y HA -0.371 3.276 4.550 -1.505 0.000 0.282 496 Y C 2.693 178.522 175.900 -0.117 0.000 1.152 496 Y CA 2.407 60.431 58.100 -0.128 0.000 1.136 496 Y CB -0.214 38.203 38.460 -0.071 0.000 0.975 496 Y HN 0.077 nan 8.280 nan 0.000 0.498 497 K N 0.262 120.653 120.400 -0.015 0.000 2.063 497 K HA -0.151 3.265 4.320 -1.507 0.000 0.208 497 K C 2.217 178.718 176.600 -0.166 0.000 1.048 497 K CA 1.375 57.618 56.287 -0.073 0.000 0.928 497 K CB -0.772 31.726 32.500 -0.003 0.000 0.713 497 K HN 0.407 nan 8.250 nan 0.000 0.442 498 A N 0.567 123.261 122.820 -0.210 0.000 1.851 498 A HA -0.161 3.255 4.320 -1.507 0.000 0.216 498 A C 2.375 179.757 177.584 -0.337 0.000 1.195 498 A CA 2.362 54.223 52.037 -0.293 0.000 0.622 498 A CB -1.312 17.349 19.000 -0.565 0.000 0.831 498 A HN 0.395 nan 8.150 nan 0.000 0.444 499 A N -0.675 121.895 122.820 -0.418 0.000 1.978 499 A HA 0.062 3.477 4.320 -1.507 0.000 0.220 499 A C 2.374 179.751 177.584 -0.345 0.000 1.170 499 A CA 2.094 53.904 52.037 -0.379 0.000 0.636 499 A CB -1.396 17.371 19.000 -0.388 0.000 0.810 499 A HN 0.802 nan 8.150 nan 0.000 0.448 500 G N -0.679 107.913 108.800 -0.346 0.000 2.433 500 G HA2 -0.100 2.956 3.960 -1.507 0.000 0.216 500 G HA3 -0.100 2.956 3.960 -1.507 0.000 0.216 500 G C 1.801 176.665 174.900 -0.061 0.000 1.186 500 G CA 2.279 47.262 45.100 -0.196 0.000 0.779 500 G HN 0.806 nan 8.290 nan 0.000 0.543 501 K N 0.987 121.337 120.400 -0.084 0.000 2.009 501 K HA 0.058 3.473 4.320 -1.507 0.000 0.210 501 K C 2.396 178.968 176.600 -0.047 0.000 1.049 501 K CA 1.457 57.718 56.287 -0.043 0.000 0.929 501 K CB -0.871 31.597 32.500 -0.053 0.000 0.714 501 K HN 0.407 nan 8.250 nan 0.000 0.440 502 I N 0.682 121.193 120.570 -0.098 0.000 2.151 502 I HA -0.311 2.954 4.170 -1.507 0.000 0.243 502 I C 3.015 179.073 176.117 -0.099 0.000 1.080 502 I CA 1.490 62.731 61.300 -0.098 0.000 1.339 502 I CB -0.438 37.480 38.000 -0.135 0.000 1.039 502 I HN 0.464 nan 8.210 nan 0.000 0.409 503 A N 0.822 123.542 122.820 -0.165 0.000 1.873 503 A HA -0.219 3.197 4.320 -1.507 0.000 0.215 503 A C 2.494 180.064 177.584 -0.024 0.000 1.186 503 A CA 2.106 54.001 52.037 -0.238 0.000 0.616 503 A CB -0.928 17.680 19.000 -0.652 0.000 0.823 503 A HN 0.538 nan 8.150 nan 0.000 0.442 504 S N 0.016 115.817 115.700 0.168 0.000 2.419 504 S HA -0.228 3.337 4.470 -1.507 0.000 0.235 504 S C 1.570 176.236 174.600 0.110 0.000 1.019 504 S CA 1.687 60.050 58.200 0.273 0.000 0.982 504 S CB -0.423 62.902 63.200 0.207 0.000 0.789 504 S HN 0.682 nan 8.310 nan 0.000 0.490 505 E N 1.269 121.497 120.200 0.046 0.000 2.086 505 E HA 0.055 3.501 4.350 -1.507 0.000 0.190 505 E C 1.794 178.401 176.600 0.012 0.000 0.975 505 E CA 0.825 57.237 56.400 0.019 0.000 0.813 505 E CB -0.012 29.688 29.700 0.000 0.000 0.768 505 E HN 0.581 nan 8.360 nan 0.000 0.457 506 K N 0.440 120.838 120.400 -0.003 0.000 2.458 506 K HA 0.076 3.492 4.320 -1.507 0.000 0.194 506 K C 0.429 177.026 176.600 -0.004 0.000 1.024 506 K CA -0.052 56.227 56.287 -0.013 0.000 1.108 506 K CB -0.027 32.452 32.500 -0.036 0.000 0.846 506 K HN 0.204 nan 8.250 nan 0.000 0.518 507 C N -1.034 118.281 119.300 0.025 0.000 2.505 507 C HA 0.450 4.006 4.460 -1.507 0.000 0.358 507 C C 0.629 175.642 174.990 0.039 0.000 1.226 507 C CA -1.010 58.032 59.018 0.040 0.000 1.900 507 C CB 1.042 28.846 27.740 0.107 0.000 2.306 507 C HN 0.260 nan 8.230 nan 0.000 0.512 508 N N 0.394 119.114 118.700 0.033 0.000 2.200 508 N HA 0.426 4.262 4.740 -1.507 0.000 0.224 508 N C 0.395 175.916 175.510 0.019 0.000 1.179 508 N CA 0.828 53.890 53.050 0.019 0.000 0.877 508 N CB 1.296 39.788 38.487 0.007 0.000 1.072 508 N HN 1.191 nan 8.380 nan 0.000 0.519 509 G N -0.272 108.550 108.800 0.036 0.000 2.356 509 G HA2 -0.028 3.028 3.960 -1.507 0.000 0.288 509 G HA3 -0.028 3.028 3.960 -1.507 0.000 0.288 509 G C 0.113 175.040 174.900 0.045 0.000 1.302 509 G CA -0.318 44.794 45.100 0.020 0.000 0.887 509 G HN -0.061 nan 8.290 nan 0.000 0.521 510 S N -0.238 115.465 115.700 0.004 0.000 2.359 510 S HA -0.064 3.502 4.470 -1.507 0.000 0.224 510 S C 2.581 177.209 174.600 0.045 0.000 1.035 510 S CA 2.484 60.685 58.200 0.002 0.000 1.018 510 S CB -0.808 62.366 63.200 -0.044 0.000 0.876 510 S HN 1.500 nan 8.310 nan 0.000 0.448 511 G N 2.259 111.063 108.800 0.007 0.000 2.587 511 G HA2 -0.279 2.776 3.960 -1.507 0.000 0.217 511 G HA3 -0.279 2.776 3.960 -1.507 0.000 0.217 511 G C 1.704 176.605 174.900 0.002 0.000 1.240 511 G CA 1.702 46.794 45.100 -0.013 0.000 0.794 511 G HN 0.677 nan 8.290 nan 0.000 0.580 512 S N 0.254 115.965 115.700 0.018 0.000 2.419 512 S HA -0.089 3.476 4.470 -1.507 0.000 0.233 512 S C 2.081 176.691 174.600 0.018 0.000 1.016 512 S CA 1.333 59.537 58.200 0.007 0.000 0.974 512 S CB -0.498 62.705 63.200 0.005 0.000 0.786 512 S HN 0.372 nan 8.310 nan 0.000 0.492 513 F N 2.280 122.198 119.950 -0.053 0.000 2.126 513 F HA -0.134 3.488 4.527 -1.508 0.000 0.299 513 F C 2.669 178.446 175.800 -0.039 0.000 1.096 513 F CA 1.949 59.921 58.000 -0.046 0.000 1.255 513 F CB -0.509 38.463 39.000 -0.047 0.000 0.997 513 F HN 0.237 nan 8.300 nan 0.000 0.479 514 Q N -0.211 119.617 119.800 0.047 0.000 2.020 514 Q HA -0.205 3.231 4.340 -1.507 0.000 0.202 514 Q C 2.446 178.406 176.000 -0.067 0.000 0.982 514 Q CA 2.347 58.109 55.803 -0.068 0.000 0.838 514 Q CB -0.470 28.115 28.738 -0.256 0.000 0.899 514 Q HN 0.466 nan 8.270 nan 0.000 0.423 515 V N 0.108 119.979 119.914 -0.071 0.000 2.427 515 V HA -0.168 3.048 4.120 -1.507 0.000 0.248 515 V C 1.745 177.789 176.094 -0.084 0.000 1.051 515 V CA 1.821 64.096 62.300 -0.041 0.000 1.048 515 V CB -0.327 31.473 31.823 -0.040 0.000 0.666 515 V HN 0.340 nan 8.190 nan 0.000 0.456 516 E N 0.204 120.315 120.200 -0.147 0.000 2.204 516 E HA -0.159 3.287 4.350 -1.507 0.000 0.195 516 E C 2.062 178.513 176.600 -0.249 0.000 0.990 516 E CA 1.616 57.908 56.400 -0.180 0.000 0.821 516 E CB -0.290 29.297 29.700 -0.187 0.000 0.750 516 E HN 0.709 nan 8.360 nan 0.000 0.477 517 L N 0.288 121.297 121.223 -0.356 0.000 2.044 517 L HA -0.123 3.313 4.340 -1.507 0.000 0.205 517 L C 2.320 179.094 176.870 -0.160 0.000 1.075 517 L CA 0.834 55.456 54.840 -0.362 0.000 0.747 517 L CB -0.138 41.662 42.059 -0.431 0.000 0.903 517 L HN 0.061 nan 8.230 nan 0.000 0.435 518 I N 0.105 120.649 120.570 -0.044 0.000 2.163 518 I HA -0.356 2.910 4.170 -1.507 0.000 0.243 518 I C 2.110 178.222 176.117 -0.008 0.000 1.085 518 I CA 1.495 62.795 61.300 0.001 0.000 1.347 518 I CB -0.470 37.566 38.000 0.061 0.000 1.044 518 I HN 0.319 nan 8.210 nan 0.000 0.408 519 D N 0.910 121.291 120.400 -0.032 0.000 2.092 519 D HA -0.198 3.538 4.640 -1.507 0.000 0.193 519 D C 2.262 178.570 176.300 0.014 0.000 0.994 519 D CA 1.776 55.773 54.000 -0.005 0.000 0.828 519 D CB -0.297 40.479 40.800 -0.039 0.000 0.963 519 D HN 0.368 nan 8.370 nan 0.000 0.450 520 A N 0.548 123.324 122.820 -0.074 0.000 1.908 520 A HA -0.157 3.258 4.320 -1.507 0.000 0.218 520 A C 2.450 179.960 177.584 -0.124 0.000 1.181 520 A CA 1.038 53.006 52.037 -0.115 0.000 0.627 520 A CB -0.839 18.046 19.000 -0.192 0.000 0.818 520 A HN 0.250 nan 8.150 nan 0.000 0.445 521 L N -2.255 118.903 121.223 -0.108 0.000 2.083 521 L HA -0.211 3.224 4.340 -1.507 0.000 0.209 521 L C 2.583 179.436 176.870 -0.028 0.000 1.083 521 L CA 1.891 56.673 54.840 -0.097 0.000 0.752 521 L CB -0.520 41.505 42.059 -0.056 0.000 0.899 521 L HN 0.640 nan 8.230 nan 0.000 0.433 522 Y N 0.665 120.918 120.300 -0.078 0.000 2.133 522 Y HA -0.215 3.431 4.550 -1.508 0.000 0.287 522 Y C 2.790 178.668 175.900 -0.036 0.000 1.134 522 Y CA 1.464 59.537 58.100 -0.046 0.000 1.133 522 Y CB -0.096 38.341 38.460 -0.038 0.000 0.987 522 Y HN -0.050 nan 8.280 nan 0.000 0.502 523 R N -0.581 119.931 120.500 0.021 0.000 2.073 523 R HA -0.167 3.268 4.340 -1.507 0.000 0.234 523 R C 2.080 178.327 176.300 -0.087 0.000 1.134 523 R CA 1.494 57.567 56.100 -0.046 0.000 0.952 523 R CB -0.718 29.599 30.300 0.029 0.000 0.850 523 R HN 0.293 nan 8.270 nan 0.000 0.433 524 L N 0.715 121.885 121.223 -0.089 0.000 2.043 524 L HA -0.198 3.238 4.340 -1.507 0.000 0.212 524 L C 2.538 179.437 176.870 0.048 0.000 1.075 524 L CA 2.269 57.073 54.840 -0.061 0.000 0.752 524 L CB -1.011 40.863 42.059 -0.309 0.000 0.891 524 L HN 0.394 nan 8.230 nan 0.000 0.432 525 T N -5.395 109.131 114.554 -0.047 0.000 3.054 525 T HA -0.045 3.400 4.350 -1.507 0.000 0.259 525 T C 1.987 176.635 174.700 -0.086 0.000 1.092 525 T CA 0.121 62.212 62.100 -0.015 0.000 1.121 525 T CB -0.057 68.782 68.868 -0.048 0.000 0.912 525 T HN -0.017 nan 8.240 nan 0.000 0.489 526 R N 2.448 122.829 120.500 -0.200 0.000 2.235 526 R HA 0.146 3.582 4.340 -1.507 0.000 0.213 526 R C 0.629 176.876 176.300 -0.090 0.000 1.059 526 R CA 0.561 56.536 56.100 -0.209 0.000 0.997 526 R CB -0.260 29.817 30.300 -0.372 0.000 0.884 526 R HN 0.847 nan 8.270 nan 0.000 0.462 527 E N -0.202 119.977 120.200 -0.035 0.000 2.255 527 E HA 0.260 3.705 4.350 -1.507 0.000 0.245 527 E C -1.091 175.540 176.600 0.053 0.000 0.909 527 E CA -0.662 55.742 56.400 0.006 0.000 0.747 527 E CB 0.533 30.244 29.700 0.019 0.000 1.215 527 E HN -0.204 nan 8.360 nan 0.000 0.424 528 N N 2.638 121.349 118.700 0.019 0.000 2.454 528 N HA 0.019 3.855 4.740 -1.507 0.000 0.285 528 N C -0.691 174.777 175.510 -0.070 0.000 1.233 528 N CA 0.317 53.369 53.050 0.002 0.000 1.036 528 N CB 0.630 39.096 38.487 -0.034 0.000 1.423 528 N HN 0.631 nan 8.380 nan 0.000 0.495 529 T N -1.541 112.963 114.554 -0.083 0.000 3.658 529 T HA 0.312 3.758 4.350 -1.507 0.000 0.245 529 T C -2.119 172.308 174.700 -0.455 0.000 1.292 529 T CA -1.544 60.449 62.100 -0.178 0.000 1.598 529 T CB 1.203 70.036 68.868 -0.058 0.000 0.861 529 T HN -0.002 nan 8.240 nan 0.000 0.663 530 P HA -0.020 nan 4.420 nan 0.000 0.218 530 P C 2.121 178.981 177.300 -0.733 0.000 1.146 530 P CA 1.120 63.321 63.100 -1.499 0.000 0.813 530 P CB -0.177 30.807 31.700 -1.193 0.000 0.778 531 V N -0.762 118.910 119.914 -0.404 0.000 2.439 531 V HA -0.336 2.879 4.120 -1.507 0.000 0.253 531 V C 2.356 178.368 176.094 -0.138 0.000 1.074 531 V CA 3.043 65.215 62.300 -0.214 0.000 1.076 531 V CB -1.888 29.847 31.823 -0.146 0.000 0.664 531 V HN 0.133 nan 8.190 nan 0.000 0.461 532 T N -0.904 113.572 114.554 -0.130 0.000 2.821 532 T HA -0.050 3.396 4.350 -1.507 0.000 0.267 532 T C 0.537 175.333 174.700 0.160 0.000 1.046 532 T CA 0.694 62.811 62.100 0.028 0.000 1.139 532 T CB -0.305 68.629 68.868 0.109 0.000 0.871 532 T HN 0.711 nan 8.240 nan 0.000 0.454 533 W N 1.173 122.453 121.300 -0.034 0.000 2.193 533 W HA 0.507 4.262 4.660 -1.508 0.000 0.338 533 W C 1.556 178.053 176.519 -0.037 0.000 1.310 533 W CA -1.531 55.791 57.345 -0.037 0.000 1.243 533 W CB -0.512 28.923 29.460 -0.041 0.000 1.165 533 W HN 0.162 nan 8.180 nan 0.000 0.566 534 A N 4.839 127.768 122.820 0.183 0.000 1.883 534 A HA -0.106 3.309 4.320 -1.507 0.000 0.217 534 A C -0.866 176.755 177.584 0.062 0.000 1.186 534 A CA 0.995 53.079 52.037 0.079 0.000 0.624 534 A CB -2.350 16.663 19.000 0.022 0.000 0.822 534 A HN 0.471 nan 8.150 nan 0.000 0.444 535 P HA 0.222 nan 4.420 nan 0.000 0.271 535 P C -0.992 176.329 177.300 0.035 0.000 1.216 535 P CA 0.174 63.293 63.100 0.032 0.000 0.776 535 P CB 0.627 32.355 31.700 0.046 0.000 0.881 536 K N 2.160 122.560 120.400 -0.000 0.000 2.213 536 K HA 0.386 3.801 4.320 -1.507 0.000 0.270 536 K C -0.419 176.191 176.600 0.016 0.000 1.002 536 K CA -0.864 55.429 56.287 0.010 0.000 0.868 536 K CB 0.938 33.441 32.500 0.006 0.000 1.093 536 K HN 0.308 nan 8.250 nan 0.000 0.454 537 L N 3.919 125.154 121.223 0.021 0.000 2.277 537 L HA 0.286 3.722 4.340 -1.507 0.000 0.284 537 L C -0.194 176.691 176.870 0.025 0.000 1.028 537 L CA 0.179 55.029 54.840 0.017 0.000 0.835 537 L CB 0.903 42.959 42.059 -0.006 0.000 1.215 537 L HN 0.765 nan 8.230 nan 0.000 0.425 538 T N 0.600 115.187 114.554 0.056 0.000 2.919 538 T HA 0.517 3.963 4.350 -1.507 0.000 0.282 538 T C 0.141 174.874 174.700 0.054 0.000 1.020 538 T CA -0.692 61.462 62.100 0.089 0.000 0.994 538 T CB 0.855 69.815 68.868 0.153 0.000 1.180 538 T HN 0.486 nan 8.240 nan 0.000 0.566 539 H N 0.177 119.325 119.070 0.129 0.000 2.505 539 H HA 0.569 4.221 4.556 -1.508 0.000 0.355 539 H C 0.961 176.378 175.328 0.147 0.000 1.179 539 H CA 0.207 56.336 56.048 0.136 0.000 1.343 539 H CB 1.253 31.077 29.762 0.105 0.000 1.501 539 H HN 1.087 nan 8.280 nan 0.000 0.569 540 T N 0.000 114.721 114.554 0.278 0.000 3.816 540 T HA 0.000 3.446 4.350 -1.507 0.000 0.228 540 T CA 0.000 62.223 62.100 0.205 0.000 1.349 540 T CB 0.000 68.989 68.868 0.202 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658