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_E DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PTLTKKNXXX DATA SEQUENCE XXXGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL STKNSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSATETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSKGTXXTS VEDIPCVAVX DATA SEQUENCE XXXXXXXXXX XXXXXSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.434 176.600 -0.277 0.000 0.988 2 K CA 0.000 56.178 56.287 -0.182 0.000 0.838 2 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 3 F N 1.282 121.207 119.950 -0.042 0.000 2.408 3 F HA 0.506 5.033 4.527 -0.000 0.000 0.325 3 F C 1.033 176.914 175.800 0.135 0.000 1.082 3 F CA -0.369 57.619 58.000 -0.020 0.000 1.032 3 F CB 1.810 40.699 39.000 -0.185 0.000 1.259 3 F HN 0.489 nan 8.300 nan 0.000 0.503 4 S N -0.180 115.740 115.700 0.367 0.000 2.600 4 S HA 0.386 4.856 4.470 -0.000 0.000 0.300 4 S C 0.606 175.432 174.600 0.377 0.000 1.087 4 S CA -0.973 57.408 58.200 0.302 0.000 0.965 4 S CB 1.990 65.289 63.200 0.165 0.000 1.089 4 S HN 0.712 nan 8.310 nan 0.000 0.496 5 K N 0.695 121.224 120.400 0.216 0.000 2.097 5 K HA -0.286 4.034 4.320 -0.000 0.000 0.223 5 K C 1.231 177.972 176.600 0.235 0.000 1.049 5 K CA 2.654 59.020 56.287 0.131 0.000 0.956 5 K CB -0.401 32.159 32.500 0.100 0.000 0.746 5 K HN 0.761 nan 8.250 nan 0.000 0.461 6 E N -0.100 120.227 120.200 0.212 0.000 2.481 6 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 6 E C 1.382 178.088 176.600 0.177 0.000 1.047 6 E CA 0.434 56.944 56.400 0.183 0.000 0.867 6 E CB 0.253 30.035 29.700 0.137 0.000 0.858 6 E HN 0.346 nan 8.360 nan 0.000 0.513 7 Q N -0.570 119.366 119.800 0.226 0.000 2.392 7 Q HA 0.105 4.445 4.340 -0.000 0.000 0.203 7 Q C -0.352 175.676 176.000 0.047 0.000 0.917 7 Q CA -0.113 55.785 55.803 0.159 0.000 0.939 7 Q CB 0.260 29.128 28.738 0.216 0.000 1.063 7 Q HN 0.217 nan 8.270 nan 0.000 0.516 8 F N 1.909 121.778 119.950 -0.136 0.000 2.506 8 F HA 0.014 4.541 4.527 -0.000 0.000 0.371 8 F C 0.479 175.988 175.800 -0.485 0.000 1.078 8 F CA -0.418 57.325 58.000 -0.428 0.000 1.195 8 F CB 0.485 39.134 39.000 -0.586 0.000 1.099 8 F HN -0.131 nan 8.300 nan 0.000 0.548 9 D N 3.912 124.068 120.400 -0.407 0.000 2.454 9 D HA 0.108 4.748 4.640 -0.000 0.000 0.225 9 D C -0.047 176.057 176.300 -0.327 0.000 1.081 9 D CA -0.311 53.530 54.000 -0.265 0.000 0.864 9 D CB 0.214 40.912 40.800 -0.169 0.000 1.040 9 D HN 0.423 nan 8.370 nan 0.000 0.517 10 Y N 1.961 122.220 120.300 -0.069 0.000 2.529 10 Y HA 0.009 4.559 4.550 -0.000 0.000 0.290 10 Y C 2.354 178.238 175.900 -0.027 0.000 1.177 10 Y CA -0.183 57.858 58.100 -0.098 0.000 1.305 10 Y CB 0.130 38.546 38.460 -0.074 0.000 1.047 10 Y HN 0.303 nan 8.280 nan 0.000 0.522 11 S N 0.694 116.444 115.700 0.083 0.000 2.452 11 S HA -0.236 4.234 4.470 -0.000 0.000 0.253 11 S C 0.554 175.200 174.600 0.077 0.000 1.061 11 S CA 1.383 59.625 58.200 0.071 0.000 1.273 11 S CB -0.554 62.663 63.200 0.030 0.000 1.191 11 S HN 0.273 nan 8.310 nan 0.000 0.430 12 L N 1.128 122.381 121.223 0.050 0.000 2.318 12 L HA 0.471 4.811 4.340 -0.000 0.000 0.277 12 L C -1.491 175.440 176.870 0.101 0.000 1.008 12 L CA -0.643 54.233 54.840 0.060 0.000 0.846 12 L CB 0.979 43.050 42.059 0.020 0.000 1.220 12 L HN 0.296 nan 8.230 nan 0.000 0.423 13 Y N 6.038 126.325 120.300 -0.022 0.000 2.369 13 Y HA 0.507 5.057 4.550 -0.000 0.000 0.337 13 Y C -1.257 174.621 175.900 -0.036 0.000 0.961 13 Y CA -1.636 56.450 58.100 -0.023 0.000 1.186 13 Y CB 1.501 39.970 38.460 0.016 0.000 1.139 13 Y HN 0.626 nan 8.280 nan 0.000 0.494 14 L N 7.499 128.895 121.223 0.290 0.000 2.260 14 L HA 0.541 4.880 4.340 -0.000 0.000 0.289 14 L C -1.278 175.637 176.870 0.074 0.000 1.057 14 L CA -0.264 54.631 54.840 0.092 0.000 0.811 14 L CB 0.843 42.921 42.059 0.032 0.000 1.184 14 L HN 0.376 nan 8.230 nan 0.000 0.429 15 V N 4.718 124.591 119.914 -0.067 0.000 2.347 15 V HA 0.408 4.528 4.120 -0.000 0.000 0.280 15 V C 0.595 176.656 176.094 -0.056 0.000 1.021 15 V CA -0.289 61.956 62.300 -0.092 0.000 0.847 15 V CB 1.435 33.127 31.823 -0.219 0.000 0.990 15 V HN 0.921 nan 8.190 nan 0.000 0.444 16 T N 1.187 115.726 114.554 -0.025 0.000 2.828 16 T HA 0.498 4.848 4.350 -0.000 0.000 0.290 16 T C -0.564 174.116 174.700 -0.034 0.000 1.019 16 T CA -0.449 61.635 62.100 -0.027 0.000 1.031 16 T CB 1.537 70.394 68.868 -0.018 0.000 1.001 16 T HN 0.685 nan 8.240 nan 0.000 0.531 17 D N -0.130 120.252 120.400 -0.030 0.000 2.613 17 D HA 0.320 4.959 4.640 -0.000 0.000 0.230 17 D C 0.671 176.960 176.300 -0.019 0.000 1.365 17 D CA -0.503 53.480 54.000 -0.029 0.000 0.976 17 D CB 1.731 42.515 40.800 -0.026 0.000 1.415 17 D HN 0.407 nan 8.370 nan 0.000 0.589 18 S N 1.900 117.587 115.700 -0.021 0.000 2.368 18 S HA 0.064 4.534 4.470 -0.000 0.000 0.224 18 S C 1.475 176.078 174.600 0.006 0.000 1.029 18 S CA 1.129 59.330 58.200 0.001 0.000 0.988 18 S CB -0.096 63.110 63.200 0.011 0.000 0.838 18 S HN 0.572 nan 8.310 nan 0.000 0.462 19 G N 0.606 109.404 108.800 -0.004 0.000 3.636 19 G HA2 0.491 4.450 3.960 -0.000 0.000 0.260 19 G HA3 0.491 4.450 3.960 -0.000 0.000 0.260 19 G C 0.035 174.933 174.900 -0.003 0.000 1.014 19 G CA -0.256 44.841 45.100 -0.005 0.000 1.797 19 G HN 0.481 nan 8.290 nan 0.000 0.637 20 M N 0.412 120.012 119.600 -0.000 0.000 2.309 20 M HA 0.331 4.811 4.480 -0.000 0.000 0.438 20 M C -0.564 175.738 176.300 0.003 0.000 1.004 20 M CA -0.031 55.269 55.300 0.001 0.000 1.024 20 M CB 0.529 33.128 32.600 -0.001 0.000 2.095 20 M HN 0.055 nan 8.290 nan 0.000 0.701 21 I N 3.603 124.177 120.570 0.006 0.000 2.496 21 I HA 0.250 4.420 4.170 -0.000 0.000 0.285 21 I C -1.969 174.153 176.117 0.009 0.000 1.080 21 I CA -1.631 59.675 61.300 0.010 0.000 1.404 21 I CB 0.242 38.253 38.000 0.019 0.000 1.403 21 I HN 0.072 nan 8.210 nan 0.000 0.539 22 P HA 0.108 nan 4.420 nan 0.000 0.272 22 P C -0.501 176.805 177.300 0.009 0.000 1.223 22 P CA -0.422 62.682 63.100 0.007 0.000 0.784 22 P CB 0.447 32.151 31.700 0.007 0.000 0.923 23 E N 0.563 120.767 120.200 0.006 0.000 2.442 23 E HA 0.203 4.553 4.350 -0.000 0.000 0.262 23 E C 1.070 177.676 176.600 0.010 0.000 1.004 23 E CA 0.988 57.392 56.400 0.007 0.000 0.928 23 E CB -0.130 29.572 29.700 0.004 0.000 0.937 23 E HN 0.801 nan 8.360 nan 0.000 0.446 24 G N 2.811 111.618 108.800 0.012 0.000 2.143 24 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.249 24 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.249 24 G C -0.028 174.884 174.900 0.021 0.000 0.981 24 G CA 0.329 45.438 45.100 0.015 0.000 0.665 24 G HN 0.414 nan 8.290 nan 0.000 0.528 25 K N 0.475 120.889 120.400 0.024 0.000 2.371 25 K HA 0.637 4.957 4.320 -0.000 0.000 0.251 25 K C 0.108 176.733 176.600 0.043 0.000 0.934 25 K CA -0.180 56.127 56.287 0.032 0.000 0.798 25 K CB 1.959 34.474 32.500 0.025 0.000 1.204 25 K HN 0.261 nan 8.250 nan 0.000 0.427 26 T N -1.036 113.555 114.554 0.061 0.000 2.950 26 T HA 0.227 4.577 4.350 -0.000 0.000 0.288 26 T C 0.889 175.641 174.700 0.086 0.000 1.035 26 T CA -0.906 61.243 62.100 0.082 0.000 1.028 26 T CB 1.170 70.103 68.868 0.109 0.000 1.109 26 T HN 0.404 nan 8.240 nan 0.000 0.514 27 L N 0.409 121.687 121.223 0.093 0.000 2.046 27 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 27 L C 2.195 179.109 176.870 0.072 0.000 1.077 27 L CA 1.648 56.528 54.840 0.067 0.000 0.747 27 L CB -1.335 40.760 42.059 0.061 0.000 0.896 27 L HN 0.839 nan 8.230 nan 0.000 0.432 28 Y N 0.153 120.456 120.300 0.006 0.000 2.128 28 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 28 Y C 2.328 178.228 175.900 -0.000 0.000 1.154 28 Y CA 2.093 60.194 58.100 0.002 0.000 1.149 28 Y CB -0.735 37.730 38.460 0.009 0.000 0.976 28 Y HN 0.246 nan 8.280 nan 0.000 0.505 29 G N -0.453 108.465 108.800 0.196 0.000 2.446 29 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 29 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 29 G C 1.438 176.346 174.900 0.013 0.000 1.168 29 G CA 1.044 46.212 45.100 0.114 0.000 0.771 29 G HN 0.339 nan 8.290 nan 0.000 0.551 30 Q N 0.210 120.010 119.800 -0.001 0.000 2.016 30 Q HA -0.031 4.309 4.340 -0.000 0.000 0.200 30 Q C 3.021 178.976 176.000 -0.076 0.000 0.978 30 Q CA 1.112 56.898 55.803 -0.028 0.000 0.833 30 Q CB -1.120 27.609 28.738 -0.016 0.000 0.895 30 Q HN 0.376 nan 8.270 nan 0.000 0.427 31 V N 1.619 121.468 119.914 -0.108 0.000 2.469 31 V HA -0.254 3.865 4.120 -0.000 0.000 0.251 31 V C 2.323 178.276 176.094 -0.235 0.000 1.064 31 V CA 2.028 64.232 62.300 -0.161 0.000 1.066 31 V CB -0.585 31.130 31.823 -0.179 0.000 0.667 31 V HN 0.434 nan 8.190 nan 0.000 0.461 32 E N 0.436 120.476 120.200 -0.267 0.000 2.028 32 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 32 E C 2.295 178.785 176.600 -0.185 0.000 0.988 32 E CA 1.306 57.542 56.400 -0.272 0.000 0.799 32 E CB -0.270 29.317 29.700 -0.188 0.000 0.755 32 E HN 0.546 nan 8.360 nan 0.000 0.447 33 A N 0.609 123.365 122.820 -0.106 0.000 1.940 33 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 33 A C 2.345 179.878 177.584 -0.085 0.000 1.176 33 A CA 1.792 53.788 52.037 -0.068 0.000 0.631 33 A CB -1.041 17.938 19.000 -0.036 0.000 0.814 33 A HN 0.455 nan 8.150 nan 0.000 0.446 34 G N -1.026 107.710 108.800 -0.106 0.000 2.572 34 G HA2 0.089 4.049 3.960 -0.000 0.000 0.216 34 G HA3 0.089 4.049 3.960 -0.000 0.000 0.216 34 G C 1.429 176.250 174.900 -0.131 0.000 1.133 34 G CA 0.667 45.710 45.100 -0.096 0.000 0.791 34 G HN 0.430 nan 8.290 nan 0.000 0.538 35 L N -0.492 120.598 121.223 -0.222 0.000 2.209 35 L HA 0.060 4.400 4.340 -0.000 0.000 0.207 35 L C 2.841 179.569 176.870 -0.237 0.000 1.094 35 L CA 0.556 55.204 54.840 -0.320 0.000 0.790 35 L CB -0.127 41.533 42.059 -0.664 0.000 0.932 35 L HN 0.201 nan 8.230 nan 0.000 0.447 36 Q N -0.101 119.594 119.800 -0.176 0.000 2.488 36 Q HA -0.029 4.311 4.340 -0.000 0.000 0.211 36 Q C 0.645 176.640 176.000 -0.008 0.000 0.967 36 Q CA 0.629 56.418 55.803 -0.023 0.000 0.926 36 Q CB 0.184 28.929 28.738 0.011 0.000 0.992 36 Q HN 0.527 nan 8.270 nan 0.000 0.506 37 N N -1.475 117.205 118.700 -0.035 0.000 2.184 37 N HA 0.162 4.902 4.740 -0.000 0.000 0.234 37 N C 0.248 175.745 175.510 -0.021 0.000 1.282 37 N CA 0.668 53.707 53.050 -0.019 0.000 0.877 37 N CB 2.136 40.612 38.487 -0.018 0.000 1.184 37 N HN 0.216 nan 8.380 nan 0.000 0.510 38 G N 0.796 109.577 108.800 -0.031 0.000 1.876 38 G HA2 0.122 4.082 3.960 -0.000 0.000 0.059 38 G HA3 0.122 4.082 3.960 -0.000 0.000 0.059 38 G C -0.034 174.838 174.900 -0.047 0.000 0.755 38 G CA -0.081 45.002 45.100 -0.028 0.000 1.092 38 G HN 0.388 nan 8.290 nan 0.000 0.322 39 V N 1.126 121.013 119.914 -0.046 0.000 4.248 39 V HA 0.162 4.282 4.120 -0.000 0.000 0.316 39 V C 1.457 177.501 176.094 -0.082 0.000 1.355 39 V CA 3.144 65.413 62.300 -0.052 0.000 1.451 39 V CB -1.041 30.742 31.823 -0.067 0.000 1.169 39 V HN 2.174 nan 8.190 nan 0.000 0.405 40 T N 1.963 116.461 114.554 -0.093 0.000 3.092 40 T HA 0.641 4.991 4.350 -0.000 0.000 0.258 40 T C 0.010 174.554 174.700 -0.260 0.000 1.031 40 T CA 0.550 62.562 62.100 -0.146 0.000 0.925 40 T CB 0.487 69.285 68.868 -0.117 0.000 1.036 40 T HN 1.997 nan 8.240 nan 0.000 0.544 41 L N 0.210 121.288 121.223 -0.242 0.000 2.724 41 L HA 0.696 5.036 4.340 -0.000 0.000 0.258 41 L C -2.141 174.626 176.870 -0.171 0.000 0.967 41 L CA -0.713 53.905 54.840 -0.369 0.000 0.891 41 L CB 2.160 43.829 42.059 -0.651 0.000 1.456 41 L HN -0.028 nan 8.230 nan 0.000 0.416 42 V N 3.291 123.133 119.914 -0.121 0.000 2.777 42 V HA 0.572 4.692 4.120 -0.000 0.000 0.306 42 V C -1.036 175.167 176.094 0.180 0.000 1.112 42 V CA -0.455 61.889 62.300 0.073 0.000 0.917 42 V CB 1.897 33.715 31.823 -0.008 0.000 1.018 42 V HN 0.852 nan 8.190 nan 0.000 0.426 43 Q N 4.479 124.453 119.800 0.291 0.000 2.337 43 Q HA 0.706 5.046 4.340 -0.000 0.000 0.266 43 Q C -1.754 174.328 176.000 0.137 0.000 1.023 43 Q CA -0.617 55.341 55.803 0.258 0.000 0.829 43 Q CB 2.284 31.217 28.738 0.326 0.000 1.306 43 Q HN 0.748 nan 8.270 nan 0.000 0.449 44 I N 3.736 124.394 120.570 0.147 0.000 2.441 44 I HA 0.489 4.659 4.170 -0.000 0.000 0.295 44 I C -0.387 175.811 176.117 0.136 0.000 0.994 44 I CA -0.814 60.554 61.300 0.113 0.000 1.144 44 I CB 1.711 39.800 38.000 0.150 0.000 1.314 44 I HN 0.685 nan 8.210 nan 0.000 0.445 45 R N 4.786 125.297 120.500 0.017 0.000 2.892 45 R HA 0.696 5.036 4.340 -0.000 0.000 0.265 45 R C -1.062 175.068 176.300 -0.282 0.000 1.025 45 R CA -0.933 55.164 56.100 -0.004 0.000 0.982 45 R CB 1.844 32.144 30.300 -0.001 0.000 1.185 45 R HN 0.326 nan 8.270 nan 0.000 0.484 46 E N 0.493 120.522 120.200 -0.286 0.000 2.647 46 E HA 0.091 4.441 4.350 -0.000 0.000 0.387 46 E C -0.524 176.036 176.600 -0.067 0.000 0.996 46 E CA -0.078 56.080 56.400 -0.404 0.000 0.735 46 E CB 1.459 30.488 29.700 -1.119 0.000 1.559 46 E HN 0.758 nan 8.360 nan 0.000 0.385 47 K N 0.932 121.330 120.400 -0.004 0.000 2.361 47 K HA 0.027 4.346 4.320 -0.000 0.000 0.196 47 K C 0.895 177.524 176.600 0.049 0.000 1.039 47 K CA 1.079 57.399 56.287 0.055 0.000 1.001 47 K CB 0.183 32.709 32.500 0.043 0.000 0.795 47 K HN 0.090 nan 8.250 nan 0.000 0.495 48 D N -1.115 119.299 120.400 0.022 0.000 2.449 48 D HA 0.289 4.929 4.640 -0.000 0.000 0.210 48 D C 0.695 177.015 176.300 0.033 0.000 1.094 48 D CA 0.552 54.566 54.000 0.023 0.000 0.846 48 D CB 0.781 41.583 40.800 0.004 0.000 1.003 48 D HN 0.492 nan 8.370 nan 0.000 0.504 49 A N 0.439 123.291 122.820 0.053 0.000 2.274 49 A HA 0.344 4.664 4.320 -0.000 0.000 0.297 49 A C -0.144 177.523 177.584 0.139 0.000 1.191 49 A CA -0.419 51.673 52.037 0.091 0.000 0.889 49 A CB 0.528 19.638 19.000 0.183 0.000 1.294 49 A HN -0.180 nan 8.150 nan 0.000 0.506 50 D N 0.564 121.059 120.400 0.158 0.000 2.295 50 D HA 0.262 4.902 4.640 -0.000 0.000 0.248 50 D C 0.830 177.278 176.300 0.247 0.000 1.154 50 D CA 0.193 54.291 54.000 0.164 0.000 0.857 50 D CB 1.124 41.997 40.800 0.122 0.000 1.117 50 D HN 0.461 nan 8.370 nan 0.000 0.468 51 T N 1.711 116.392 114.554 0.211 0.000 2.946 51 T HA -0.227 4.123 4.350 -0.000 0.000 0.270 51 T C 1.587 176.399 174.700 0.187 0.000 1.129 51 T CA 1.201 63.432 62.100 0.218 0.000 1.103 51 T CB 0.258 69.194 68.868 0.112 0.000 0.839 51 T HN 0.418 nan 8.240 nan 0.000 0.544 52 K N 0.016 120.528 120.400 0.187 0.000 2.168 52 K HA 0.082 4.402 4.320 -0.000 0.000 0.201 52 K C 1.959 178.676 176.600 0.195 0.000 1.049 52 K CA 0.206 56.583 56.287 0.150 0.000 0.974 52 K CB -0.205 32.368 32.500 0.121 0.000 0.792 52 K HN 0.285 nan 8.250 nan 0.000 0.463 53 F N 1.304 121.320 119.950 0.110 0.000 2.171 53 F HA -0.169 4.358 4.527 0.000 0.000 0.300 53 F C 1.773 177.675 175.800 0.169 0.000 1.090 53 F CA 1.029 59.091 58.000 0.103 0.000 1.293 53 F CB -0.315 38.724 39.000 0.065 0.000 1.013 53 F HN 0.052 nan 8.300 nan 0.000 0.486 54 F N 1.453 121.392 119.950 -0.020 0.000 2.043 54 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 54 F C 2.186 177.896 175.800 -0.151 0.000 1.121 54 F CA 1.833 59.773 58.000 -0.100 0.000 1.199 54 F CB -1.072 37.944 39.000 0.028 0.000 0.968 54 F HN 0.012 nan 8.300 nan 0.000 0.478 55 I N -0.114 120.552 120.570 0.160 0.000 2.286 55 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 55 I C 2.209 178.324 176.117 -0.004 0.000 1.115 55 I CA 1.599 62.910 61.300 0.017 0.000 1.392 55 I CB -0.592 37.395 38.000 -0.022 0.000 1.065 55 I HN 0.244 nan 8.210 nan 0.000 0.418 56 E N 0.470 120.644 120.200 -0.043 0.000 2.107 56 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 56 E C 2.065 178.594 176.600 -0.120 0.000 0.982 56 E CA 0.902 57.258 56.400 -0.072 0.000 0.809 56 E CB -0.024 29.639 29.700 -0.061 0.000 0.756 56 E HN 0.451 nan 8.360 nan 0.000 0.459 57 E N 0.396 120.450 120.200 -0.244 0.000 2.107 57 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 57 E C 1.997 178.570 176.600 -0.045 0.000 0.982 57 E CA 0.711 56.977 56.400 -0.223 0.000 0.809 57 E CB 0.034 29.460 29.700 -0.456 0.000 0.756 57 E HN 0.208 nan 8.360 nan 0.000 0.459 58 A N 0.992 123.831 122.820 0.032 0.000 1.873 58 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 58 A C 2.145 179.740 177.584 0.018 0.000 1.186 58 A CA 0.973 53.055 52.037 0.075 0.000 0.616 58 A CB -0.612 18.460 19.000 0.121 0.000 0.823 58 A HN 0.247 nan 8.150 nan 0.000 0.442 59 L N -0.942 120.281 121.223 0.000 0.000 2.017 59 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 59 L C 2.907 179.780 176.870 0.006 0.000 1.073 59 L CA 1.828 56.661 54.840 -0.011 0.000 0.745 59 L CB -0.633 41.419 42.059 -0.010 0.000 0.894 59 L HN 0.556 nan 8.230 nan 0.000 0.432 60 Q N 0.327 120.142 119.800 0.024 0.000 2.152 60 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 60 Q C 2.209 178.305 176.000 0.160 0.000 0.985 60 Q CA 1.640 57.491 55.803 0.080 0.000 0.863 60 Q CB 0.038 28.815 28.738 0.065 0.000 0.904 60 Q HN 0.565 nan 8.270 nan 0.000 0.422 61 I N -0.190 120.434 120.570 0.090 0.000 2.852 61 I HA -0.138 4.032 4.170 -0.000 0.000 0.264 61 I C 2.317 178.422 176.117 -0.019 0.000 1.179 61 I CA 0.374 61.699 61.300 0.040 0.000 1.480 61 I CB -0.142 37.864 38.000 0.009 0.000 1.111 61 I HN 0.166 nan 8.210 nan 0.000 0.441 62 K N 1.473 121.841 120.400 -0.052 0.000 2.057 62 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 62 K C 1.868 178.348 176.600 -0.201 0.000 1.049 62 K CA 1.425 57.600 56.287 -0.186 0.000 0.931 62 K CB 0.079 32.431 32.500 -0.246 0.000 0.714 62 K HN 0.259 nan 8.250 nan 0.000 0.440 63 E N 0.762 120.924 120.200 -0.062 0.000 2.058 63 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 63 E C 2.080 178.739 176.600 0.097 0.000 0.997 63 E CA 1.128 57.547 56.400 0.031 0.000 0.801 63 E CB -0.073 29.671 29.700 0.075 0.000 0.746 63 E HN 0.326 nan 8.360 nan 0.000 0.450 64 L N 0.434 121.715 121.223 0.097 0.000 1.994 64 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 64 L C 2.504 179.458 176.870 0.139 0.000 1.071 64 L CA 1.330 56.224 54.840 0.091 0.000 0.745 64 L CB -0.270 41.699 42.059 -0.149 0.000 0.892 64 L HN 0.369 nan 8.230 nan 0.000 0.431 65 C N -0.815 118.522 119.300 0.062 0.000 2.442 65 C HA -0.196 4.264 4.460 -0.000 0.000 0.279 65 C C 2.594 177.740 174.990 0.260 0.000 1.237 65 C CA 0.587 59.666 59.018 0.101 0.000 1.722 65 C CB -1.376 26.389 27.740 0.042 0.000 2.056 65 C HN 0.578 nan 8.230 nan 0.000 0.469 66 H N 1.096 120.231 119.070 0.108 0.000 2.390 66 H HA -0.090 4.466 4.556 -0.000 0.000 0.298 66 H C 2.362 177.744 175.328 0.090 0.000 1.106 66 H CA 1.846 57.971 56.048 0.129 0.000 1.297 66 H CB -0.920 28.900 29.762 0.097 0.000 1.375 66 H HN 0.498 nan 8.280 nan 0.000 0.509 67 A N 0.285 123.231 122.820 0.210 0.000 1.948 67 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 67 A C 1.405 178.970 177.584 -0.032 0.000 1.177 67 A CA 1.968 54.049 52.037 0.073 0.000 0.636 67 A CB -0.601 18.438 19.000 0.065 0.000 0.815 67 A HN 0.540 nan 8.150 nan 0.000 0.449 68 H N -1.702 117.398 119.070 0.050 0.000 2.519 68 H HA 0.198 4.754 4.556 -0.000 0.000 0.289 68 H C 0.479 175.827 175.328 0.034 0.000 1.040 68 H CA 0.294 56.356 56.048 0.023 0.000 1.165 68 H CB -0.114 29.645 29.762 -0.006 0.000 1.462 68 H HN 0.574 nan 8.280 nan 0.000 0.555 69 N N 0.473 119.269 118.700 0.160 0.000 2.738 69 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 69 N C -1.063 174.575 175.510 0.215 0.000 1.047 69 N CA 0.779 53.945 53.050 0.193 0.000 0.707 69 N CB -1.040 37.504 38.487 0.094 0.000 0.937 69 N HN 0.284 nan 8.380 nan 0.000 0.545 70 V N -0.526 119.459 119.914 0.118 0.000 2.709 70 V HA 0.839 4.959 4.120 -0.000 0.000 0.308 70 V C -2.444 173.425 176.094 -0.375 0.000 1.062 70 V CA -1.840 60.319 62.300 -0.236 0.000 0.901 70 V CB 2.196 33.913 31.823 -0.177 0.000 1.003 70 V HN 0.039 nan 8.190 nan 0.000 0.425 71 P HA 0.325 nan 4.420 nan 0.000 0.272 71 P C -1.185 175.970 177.300 -0.241 0.000 1.230 71 P CA -0.219 62.419 63.100 -0.769 0.000 0.788 71 P CB 0.595 31.481 31.700 -1.357 0.000 0.949 72 L N 2.763 123.977 121.223 -0.014 0.000 2.333 72 L HA 0.516 4.856 4.340 -0.000 0.000 0.280 72 L C -1.051 175.889 176.870 0.117 0.000 1.004 72 L CA -0.307 54.555 54.840 0.037 0.000 0.820 72 L CB 0.522 42.597 42.059 0.027 0.000 1.247 72 L HN 0.229 nan 8.230 nan 0.000 0.416 73 I N 5.583 126.246 120.570 0.156 0.000 2.562 73 I HA 0.464 4.634 4.170 -0.000 0.000 0.301 73 I C -0.497 175.759 176.117 0.232 0.000 1.003 73 I CA -0.672 60.771 61.300 0.238 0.000 1.127 73 I CB 1.992 40.198 38.000 0.343 0.000 1.304 73 I HN 0.536 nan 8.210 nan 0.000 0.446 74 I N 5.030 125.737 120.570 0.228 0.000 2.646 74 I HA 0.372 4.542 4.170 -0.000 0.000 0.299 74 I C -0.623 175.639 176.117 0.240 0.000 1.036 74 I CA -0.555 60.878 61.300 0.221 0.000 1.074 74 I CB 2.170 40.255 38.000 0.141 0.000 1.258 74 I HN 0.644 nan 8.210 nan 0.000 0.430 75 N N 3.885 122.744 118.700 0.265 0.000 2.369 75 N HA 0.203 4.943 4.740 -0.000 0.000 0.287 75 N C -1.567 174.097 175.510 0.256 0.000 1.067 75 N CA -0.524 52.676 53.050 0.250 0.000 0.888 75 N CB 2.356 41.002 38.487 0.265 0.000 1.616 75 N HN 0.667 nan 8.380 nan 0.000 0.482 76 D N 1.557 122.082 120.400 0.208 0.000 2.538 76 D HA 0.146 4.785 4.640 -0.000 0.000 0.231 76 D C -0.444 175.921 176.300 0.107 0.000 1.229 76 D CA -0.296 53.800 54.000 0.160 0.000 0.828 76 D CB 0.158 41.047 40.800 0.148 0.000 1.035 76 D HN 0.344 nan 8.370 nan 0.000 0.495 77 R N 0.997 121.548 120.500 0.085 0.000 2.429 77 R HA 0.321 4.661 4.340 -0.000 0.000 0.302 77 R C 0.856 177.139 176.300 -0.029 0.000 1.268 77 R CA -0.216 55.883 56.100 -0.002 0.000 1.090 77 R CB 0.479 30.720 30.300 -0.098 0.000 1.102 77 R HN 0.245 nan 8.270 nan 0.000 0.522 78 I N 1.910 122.479 120.570 -0.000 0.000 2.208 78 I HA -0.357 3.813 4.170 -0.000 0.000 0.245 78 I C 1.861 177.963 176.117 -0.025 0.000 1.097 78 I CA 1.433 62.731 61.300 -0.002 0.000 1.363 78 I CB -0.215 37.787 38.000 0.003 0.000 1.051 78 I HN 0.574 nan 8.210 nan 0.000 0.413 79 D N 1.143 121.521 120.400 -0.036 0.000 2.092 79 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 79 D C 2.063 178.318 176.300 -0.076 0.000 0.994 79 D CA 1.372 55.345 54.000 -0.046 0.000 0.828 79 D CB -1.117 39.660 40.800 -0.039 0.000 0.963 79 D HN 0.217 nan 8.370 nan 0.000 0.450 80 V N 1.128 120.958 119.914 -0.139 0.000 2.469 80 V HA -0.217 3.903 4.120 -0.000 0.000 0.251 80 V C 2.768 178.779 176.094 -0.138 0.000 1.064 80 V CA 1.779 63.953 62.300 -0.209 0.000 1.066 80 V CB -1.048 30.491 31.823 -0.474 0.000 0.667 80 V HN 0.437 nan 8.190 nan 0.000 0.461 81 A N -0.345 122.423 122.820 -0.087 0.000 1.858 81 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 81 A C 2.245 179.827 177.584 -0.004 0.000 1.190 81 A CA 2.223 54.246 52.037 -0.023 0.000 0.617 81 A CB -0.451 18.558 19.000 0.015 0.000 0.827 81 A HN 0.481 nan 8.150 nan 0.000 0.443 82 M N -0.491 119.104 119.600 -0.008 0.000 2.117 82 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 82 M C 2.533 178.831 176.300 -0.004 0.000 1.065 82 M CA 1.414 56.715 55.300 0.002 0.000 1.114 82 M CB -0.457 32.141 32.600 -0.003 0.000 1.361 82 M HN 0.472 nan 8.290 nan 0.000 0.408 83 A N 0.979 123.786 122.820 -0.023 0.000 1.940 83 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 83 A C 1.945 179.518 177.584 -0.017 0.000 1.176 83 A CA 1.813 53.835 52.037 -0.024 0.000 0.631 83 A CB -0.976 17.999 19.000 -0.042 0.000 0.814 83 A HN 0.719 nan 8.150 nan 0.000 0.446 84 I N -4.514 116.043 120.570 -0.022 0.000 3.928 84 I HA 0.509 4.679 4.170 -0.000 0.000 0.335 84 I C 0.968 177.092 176.117 0.011 0.000 1.325 84 I CA 0.382 61.675 61.300 -0.012 0.000 1.107 84 I CB -0.218 37.765 38.000 -0.027 0.000 1.014 84 I HN 0.329 nan 8.210 nan 0.000 0.400 85 G N 2.086 110.902 108.800 0.027 0.000 2.351 85 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.297 85 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.297 85 G C 0.288 175.242 174.900 0.089 0.000 1.054 85 G CA 0.147 45.282 45.100 0.059 0.000 1.123 85 G HN 0.951 nan 8.290 nan 0.000 0.512 86 A N -0.349 122.520 122.820 0.082 0.000 2.296 86 A HA 0.662 4.982 4.320 -0.000 0.000 0.264 86 A C 1.159 178.849 177.584 0.176 0.000 1.097 86 A CA 0.333 52.438 52.037 0.113 0.000 0.811 86 A CB 0.518 19.573 19.000 0.092 0.000 1.072 86 A HN 0.296 nan 8.150 nan 0.000 0.495 87 D N -0.505 120.031 120.400 0.228 0.000 2.367 87 D HA 0.315 4.955 4.640 -0.000 0.000 0.207 87 D C 0.662 177.161 176.300 0.331 0.000 1.034 87 D CA 1.427 55.615 54.000 0.314 0.000 0.861 87 D CB 0.621 41.622 40.800 0.336 0.000 0.943 87 D HN 0.771 nan 8.370 nan 0.000 0.515 88 G N 0.795 109.744 108.800 0.249 0.000 2.368 88 G HA2 0.471 4.431 3.960 -0.000 0.000 0.293 88 G HA3 0.471 4.431 3.960 -0.000 0.000 0.293 88 G C -1.724 173.299 174.900 0.206 0.000 1.467 88 G CA -0.850 44.378 45.100 0.213 0.000 0.804 88 G HN 0.098 nan 8.290 nan 0.000 0.535 89 I N -2.053 118.629 120.570 0.188 0.000 2.769 89 I HA 0.824 4.994 4.170 -0.000 0.000 0.298 89 I C -1.128 175.124 176.117 0.224 0.000 1.128 89 I CA -1.196 60.219 61.300 0.191 0.000 1.031 89 I CB 2.563 40.630 38.000 0.111 0.000 1.235 89 I HN 0.659 nan 8.210 nan 0.000 0.423 90 H N 4.618 123.796 119.070 0.180 0.000 2.466 90 H HA 0.805 5.361 4.556 -0.000 0.000 0.338 90 H C -1.103 174.304 175.328 0.130 0.000 1.091 90 H CA -0.499 55.644 56.048 0.158 0.000 1.207 90 H CB 1.823 31.726 29.762 0.235 0.000 1.466 90 H HN 0.694 nan 8.280 nan 0.000 0.493 91 V N 2.548 122.409 119.914 -0.088 0.000 3.040 91 V HA 0.864 4.984 4.120 -0.000 0.000 0.312 91 V C 0.344 176.517 176.094 0.132 0.000 1.115 91 V CA -0.350 62.017 62.300 0.112 0.000 0.998 91 V CB 1.615 33.502 31.823 0.107 0.000 1.042 91 V HN 0.888 nan 8.190 nan 0.000 0.433 92 G N 0.541 109.447 108.800 0.176 0.000 2.537 92 G HA2 0.434 4.394 3.960 -0.000 0.000 0.297 92 G HA3 0.434 4.394 3.960 -0.000 0.000 0.297 92 G C 0.127 175.075 174.900 0.080 0.000 1.310 92 G CA -0.080 45.078 45.100 0.095 0.000 1.027 92 G HN 0.881 nan 8.290 nan 0.000 0.505 93 Q N -1.060 118.702 119.800 -0.063 0.000 2.224 93 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 93 Q C 0.995 177.048 176.000 0.089 0.000 0.970 93 Q CA 1.460 57.229 55.803 -0.057 0.000 0.865 93 Q CB 0.188 28.826 28.738 -0.167 0.000 0.922 93 Q HN 0.509 nan 8.270 nan 0.000 0.445 94 D N 0.214 120.657 120.400 0.071 0.000 2.424 94 D HA 0.098 4.738 4.640 -0.000 0.000 0.220 94 D C -0.552 175.799 176.300 0.085 0.000 1.150 94 D CA 0.041 54.083 54.000 0.071 0.000 0.831 94 D CB 0.305 41.133 40.800 0.046 0.000 0.981 94 D HN 0.205 nan 8.370 nan 0.000 0.500 95 D N -0.034 120.435 120.400 0.115 0.000 2.567 95 D HA 0.166 4.806 4.640 -0.000 0.000 0.275 95 D C 0.521 176.878 176.300 0.096 0.000 1.195 95 D CA -0.670 53.393 54.000 0.104 0.000 1.087 95 D CB 0.769 41.639 40.800 0.116 0.000 1.165 95 D HN -0.060 nan 8.370 nan 0.000 0.609 96 M N 1.342 120.984 119.600 0.069 0.000 2.284 96 M HA 0.127 4.606 4.480 -0.000 0.000 0.351 96 M C -2.308 174.004 176.300 0.020 0.000 1.443 96 M CA -0.470 54.852 55.300 0.037 0.000 1.031 96 M CB 0.568 33.179 32.600 0.019 0.000 1.893 96 M HN -0.101 nan 8.290 nan 0.000 0.456 97 P HA -0.075 nan 4.420 nan 0.000 0.265 97 P C 0.562 177.792 177.300 -0.117 0.000 1.187 97 P CA -0.146 62.933 63.100 -0.035 0.000 0.766 97 P CB 0.347 32.031 31.700 -0.026 0.000 0.820 98 I N 5.199 125.624 120.570 -0.243 0.000 2.179 98 I HA -0.127 4.042 4.170 -0.000 0.000 0.242 98 I C -0.577 175.414 176.117 -0.210 0.000 1.088 98 I CA 1.916 63.025 61.300 -0.319 0.000 1.357 98 I CB -2.662 34.992 38.000 -0.576 0.000 1.051 98 I HN 0.387 nan 8.210 nan 0.000 0.409 99 P HA -0.216 nan 4.420 nan 0.000 0.215 99 P C 2.072 179.316 177.300 -0.094 0.000 1.163 99 P CA 1.860 64.884 63.100 -0.126 0.000 0.894 99 P CB -0.187 31.451 31.700 -0.104 0.000 0.791 100 M N -1.294 118.259 119.600 -0.078 0.000 2.106 100 M HA -0.164 4.315 4.480 -0.000 0.000 0.259 100 M C 2.403 178.670 176.300 -0.054 0.000 1.068 100 M CA 1.850 57.117 55.300 -0.055 0.000 1.100 100 M CB -0.878 31.699 32.600 -0.039 0.000 1.351 100 M HN -0.109 nan 8.290 nan 0.000 0.404 101 I N -0.678 119.850 120.570 -0.069 0.000 2.179 101 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 101 I C 2.651 178.732 176.117 -0.060 0.000 1.088 101 I CA 1.056 62.320 61.300 -0.060 0.000 1.357 101 I CB -0.543 37.411 38.000 -0.076 0.000 1.051 101 I HN 0.237 nan 8.210 nan 0.000 0.409 102 R N 1.822 122.273 120.500 -0.081 0.000 2.091 102 R HA -0.194 4.145 4.340 -0.000 0.000 0.238 102 R C 2.147 178.413 176.300 -0.056 0.000 1.136 102 R CA 1.684 57.739 56.100 -0.075 0.000 0.959 102 R CB -0.559 29.682 30.300 -0.099 0.000 0.856 102 R HN 0.229 nan 8.270 nan 0.000 0.437 103 K N -0.075 120.292 120.400 -0.054 0.000 2.147 103 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 103 K C 1.780 178.362 176.600 -0.031 0.000 1.049 103 K CA 1.568 57.830 56.287 -0.042 0.000 0.936 103 K CB -0.044 32.432 32.500 -0.040 0.000 0.722 103 K HN 0.259 nan 8.250 nan 0.000 0.446 104 L N 0.146 121.352 121.223 -0.028 0.000 2.168 104 L HA -0.047 4.293 4.340 -0.000 0.000 0.203 104 L C 2.269 179.130 176.870 -0.014 0.000 1.078 104 L CA 0.463 55.291 54.840 -0.019 0.000 0.780 104 L CB -0.395 41.654 42.059 -0.017 0.000 0.939 104 L HN 0.016 nan 8.230 nan 0.000 0.451 105 V N -2.370 117.535 119.914 -0.015 0.000 3.235 105 V HA 0.408 4.528 4.120 -0.000 0.000 0.259 105 V C 1.125 177.216 176.094 -0.003 0.000 1.133 105 V CA 0.050 62.348 62.300 -0.004 0.000 1.128 105 V CB -1.291 30.532 31.823 0.001 0.000 0.757 105 V HN 0.452 nan 8.190 nan 0.000 0.469 106 G N 1.068 109.859 108.800 -0.015 0.000 2.954 106 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.672 106 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.672 106 G C -2.033 172.859 174.900 -0.014 0.000 1.598 106 G CA -0.335 44.755 45.100 -0.016 0.000 1.063 106 G HN 0.546 nan 8.290 nan 0.000 0.584 107 P HA 0.212 nan 4.420 nan 0.000 0.273 107 P C 0.669 177.972 177.300 0.005 0.000 1.237 107 P CA 1.106 64.195 63.100 -0.018 0.000 0.813 107 P CB 0.197 31.883 31.700 -0.022 0.000 0.930 108 D N -3.939 116.470 120.400 0.014 0.000 2.001 108 D HA -0.156 4.484 4.640 -0.000 0.000 0.175 108 D C 0.255 176.595 176.300 0.066 0.000 1.313 108 D CA 1.325 55.352 54.000 0.045 0.000 1.259 108 D CB -1.452 39.378 40.800 0.050 0.000 1.284 108 D HN 0.363 nan 8.370 nan 0.000 0.549 109 M N 1.709 121.337 119.600 0.047 0.000 2.233 109 M HA 0.402 4.882 4.480 -0.000 0.000 0.355 109 M C -0.431 175.877 176.300 0.014 0.000 1.191 109 M CA -0.620 54.717 55.300 0.061 0.000 1.101 109 M CB 1.405 34.040 32.600 0.059 0.000 1.592 109 M HN -0.175 nan 8.290 nan 0.000 0.461 110 V N 6.526 126.429 119.914 -0.018 0.000 2.572 110 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 110 V C 0.112 176.218 176.094 0.020 0.000 1.039 110 V CA 0.199 62.443 62.300 -0.094 0.000 1.055 110 V CB 0.581 32.158 31.823 -0.409 0.000 0.969 110 V HN 0.693 nan 8.190 nan 0.000 0.482 111 I N 4.443 125.010 120.570 -0.004 0.000 2.382 111 I HA 0.471 4.641 4.170 -0.000 0.000 0.285 111 I C 0.744 176.731 176.117 -0.217 0.000 1.007 111 I CA -0.163 61.098 61.300 -0.065 0.000 1.142 111 I CB 1.578 39.512 38.000 -0.109 0.000 1.289 111 I HN 0.717 nan 8.210 nan 0.000 0.453 112 G N 5.238 113.815 108.800 -0.373 0.000 2.367 112 G HA2 0.403 4.363 3.960 -0.000 0.000 0.314 112 G HA3 0.403 4.363 3.960 -0.000 0.000 0.314 112 G C -2.023 172.413 174.900 -0.773 0.000 1.130 112 G CA -0.195 44.260 45.100 -1.075 0.000 0.864 112 G HN 0.531 nan 8.290 nan 0.000 0.486 113 W N 1.604 122.388 121.300 -0.859 0.000 2.781 113 W HA 0.555 5.215 4.660 -0.000 0.000 0.333 113 W C -0.200 176.126 176.519 -0.321 0.000 1.047 113 W CA -1.256 55.758 57.345 -0.552 0.000 1.236 113 W CB 1.944 31.225 29.460 -0.298 0.000 1.394 113 W HN 0.428 nan 8.180 nan 0.000 0.466 114 S N 3.185 118.712 115.700 -0.287 0.000 2.488 114 S HA 0.461 4.931 4.470 -0.000 0.000 0.278 114 S C -0.531 173.794 174.600 -0.458 0.000 1.259 114 S CA -0.314 57.784 58.200 -0.169 0.000 1.061 114 S CB 0.438 63.626 63.200 -0.021 0.000 0.910 114 S HN 0.228 nan 8.310 nan 0.000 0.491 115 V N 2.651 122.379 119.914 -0.310 0.000 2.577 115 V HA 0.635 4.755 4.120 -0.000 0.000 0.303 115 V C 0.839 176.775 176.094 -0.263 0.000 1.042 115 V CA -0.601 61.489 62.300 -0.350 0.000 0.872 115 V CB 1.910 33.572 31.823 -0.268 0.000 0.998 115 V HN 0.954 nan 8.190 nan 0.000 0.423 116 G N 2.884 111.516 108.800 -0.280 0.000 3.104 116 G HA2 0.367 4.327 3.960 -0.000 0.000 0.237 116 G HA3 0.367 4.327 3.960 -0.000 0.000 0.237 116 G C -0.249 174.162 174.900 -0.814 0.000 1.035 116 G CA 0.217 45.005 45.100 -0.520 0.000 0.844 116 G HN 0.420 nan 8.290 nan 0.000 0.531 117 F N -1.067 118.802 119.950 -0.135 0.000 2.599 117 F HA 0.441 4.968 4.527 -0.000 0.000 0.311 117 F C -1.956 173.792 175.800 -0.086 0.000 1.076 117 F CA -2.217 55.724 58.000 -0.099 0.000 0.937 117 F CB 2.230 41.177 39.000 -0.089 0.000 1.282 117 F HN -0.242 nan 8.300 nan 0.000 0.460 118 P HA -0.125 nan 4.420 nan 0.000 0.216 118 P C 1.012 178.351 177.300 0.066 0.000 1.150 118 P CA 1.481 64.615 63.100 0.057 0.000 0.837 118 P CB 0.296 32.023 31.700 0.046 0.000 0.786 119 E N 0.076 120.325 120.200 0.082 0.000 2.147 119 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 119 E C 1.743 178.383 176.600 0.066 0.000 1.005 119 E CA 1.440 57.870 56.400 0.050 0.000 0.810 119 E CB -0.746 28.956 29.700 0.003 0.000 0.736 119 E HN 0.479 nan 8.360 nan 0.000 0.460 120 E N -0.451 119.791 120.200 0.071 0.000 2.358 120 E HA -0.043 4.307 4.350 -0.000 0.000 0.195 120 E C 1.748 178.432 176.600 0.139 0.000 1.010 120 E CA 0.401 56.842 56.400 0.067 0.000 0.856 120 E CB 0.284 29.912 29.700 -0.119 0.000 0.795 120 E HN 0.078 nan 8.360 nan 0.000 0.504 121 V N 1.692 121.657 119.914 0.085 0.000 2.488 121 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 121 V C 1.556 177.705 176.094 0.092 0.000 1.046 121 V CA 1.547 63.895 62.300 0.079 0.000 1.053 121 V CB -0.283 31.547 31.823 0.011 0.000 0.679 121 V HN 0.194 nan 8.190 nan 0.000 0.458 122 D N 0.360 120.809 120.400 0.081 0.000 2.092 122 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 122 D C 2.167 178.531 176.300 0.107 0.000 0.994 122 D CA 1.507 55.553 54.000 0.077 0.000 0.828 122 D CB -0.167 40.669 40.800 0.059 0.000 0.963 122 D HN 0.533 nan 8.370 nan 0.000 0.450 123 E N 0.457 120.742 120.200 0.141 0.000 2.058 123 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 123 E C 2.315 179.002 176.600 0.146 0.000 0.997 123 E CA 0.357 56.849 56.400 0.154 0.000 0.801 123 E CB -0.248 29.592 29.700 0.233 0.000 0.746 123 E HN 0.222 nan 8.360 nan 0.000 0.450 124 L N 0.669 122.033 121.223 0.236 0.000 2.129 124 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 124 L C 2.041 179.046 176.870 0.224 0.000 1.087 124 L CA 1.358 56.314 54.840 0.192 0.000 0.757 124 L CB -0.035 42.203 42.059 0.299 0.000 0.896 124 L HN 0.019 nan 8.230 nan 0.000 0.434 125 S N -0.268 115.553 115.700 0.200 0.000 2.406 125 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 125 S C 2.140 176.878 174.600 0.230 0.000 1.030 125 S CA 1.083 59.447 58.200 0.273 0.000 0.958 125 S CB -0.102 63.182 63.200 0.141 0.000 0.811 125 S HN 0.604 nan 8.310 nan 0.000 0.489 126 K N 1.158 121.634 120.400 0.126 0.000 2.585 126 K HA 0.138 4.458 4.320 -0.000 0.000 0.194 126 K C 1.392 178.010 176.600 0.029 0.000 1.037 126 K CA 1.077 57.405 56.287 0.069 0.000 0.964 126 K CB -1.002 31.526 32.500 0.048 0.000 0.787 126 K HN 0.515 nan 8.250 nan 0.000 0.488 127 M N -1.406 118.214 119.600 0.035 0.000 2.331 127 M HA 0.244 4.724 4.480 -0.000 0.000 0.266 127 M C 1.213 177.432 176.300 -0.135 0.000 1.055 127 M CA 0.398 55.668 55.300 -0.050 0.000 1.048 127 M CB 0.623 33.175 32.600 -0.081 0.000 1.460 127 M HN 0.447 nan 8.290 nan 0.000 0.519 128 G N 2.143 110.859 108.800 -0.140 0.000 2.806 128 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.236 128 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.236 128 G C -2.961 171.270 174.900 -1.116 0.000 1.387 128 G CA -1.126 43.617 45.100 -0.596 0.000 0.884 128 G HN 0.116 nan 8.290 nan 0.000 0.560 129 P HA 0.293 nan 4.420 nan 0.000 0.274 129 P C 0.443 177.350 177.300 -0.655 0.000 1.264 129 P CA 0.475 62.694 63.100 -1.468 0.000 0.795 129 P CB 0.112 31.249 31.700 -0.939 0.000 1.064 130 D N -2.319 117.826 120.400 -0.424 0.000 2.781 130 D HA -0.250 4.390 4.640 -0.000 0.000 0.225 130 D C 0.963 177.142 176.300 -0.202 0.000 1.177 130 D CA 1.637 55.508 54.000 -0.216 0.000 0.620 130 D CB -0.904 39.807 40.800 -0.148 0.000 1.038 130 D HN 0.225 nan 8.370 nan 0.000 0.415 131 M N -1.868 117.593 119.600 -0.232 0.000 3.033 131 M HA 0.352 4.832 4.480 -0.000 0.000 0.178 131 M C 1.025 177.254 176.300 -0.118 0.000 1.565 131 M CA 0.610 55.805 55.300 -0.175 0.000 1.488 131 M CB -0.164 32.320 32.600 -0.193 0.000 0.877 131 M HN -0.114 nan 8.290 nan 0.000 0.542 132 V N 2.287 122.181 119.914 -0.033 0.000 2.432 132 V HA 0.258 4.378 4.120 -0.000 0.000 0.271 132 V C -0.132 176.066 176.094 0.172 0.000 1.046 132 V CA -0.348 61.956 62.300 0.007 0.000 0.945 132 V CB 0.749 32.574 31.823 0.003 0.000 0.992 132 V HN 0.759 nan 8.190 nan 0.000 0.471 133 D N 2.830 123.280 120.400 0.083 0.000 2.262 133 D HA 0.113 4.753 4.640 -0.000 0.000 0.212 133 D C 0.121 176.531 176.300 0.183 0.000 0.964 133 D CA 1.161 55.263 54.000 0.169 0.000 0.875 133 D CB 0.355 41.227 40.800 0.121 0.000 0.996 133 D HN 0.686 nan 8.370 nan 0.000 0.497 134 Y N -0.264 120.041 120.300 0.008 0.000 2.655 134 Y HA 0.590 5.139 4.550 -0.000 0.000 0.336 134 Y C -1.512 174.390 175.900 0.003 0.000 1.154 134 Y CA -1.808 56.238 58.100 -0.089 0.000 1.055 134 Y CB 0.974 39.261 38.460 -0.289 0.000 1.295 134 Y HN -0.163 nan 8.280 nan 0.000 0.465 135 I N -0.023 120.591 120.570 0.073 0.000 2.686 135 I HA 0.888 5.058 4.170 -0.000 0.000 0.295 135 I C -0.394 175.834 176.117 0.184 0.000 1.114 135 I CA -1.296 60.019 61.300 0.025 0.000 1.038 135 I CB 2.550 40.552 38.000 0.004 0.000 1.238 135 I HN 1.026 nan 8.210 nan 0.000 0.420 136 G N 4.983 113.903 108.800 0.200 0.000 2.350 136 G HA2 0.500 4.460 3.960 -0.000 0.000 0.306 136 G HA3 0.500 4.460 3.960 -0.000 0.000 0.306 136 G C -0.062 174.842 174.900 0.006 0.000 1.094 136 G CA -0.586 44.607 45.100 0.155 0.000 0.953 136 G HN 0.776 nan 8.290 nan 0.000 0.420 137 V N 2.875 122.767 119.914 -0.037 0.000 2.415 137 V HA 0.641 4.761 4.120 -0.000 0.000 0.267 137 V C 1.266 177.273 176.094 -0.144 0.000 1.042 137 V CA -0.213 62.023 62.300 -0.106 0.000 1.000 137 V CB -0.277 31.480 31.823 -0.110 0.000 1.015 137 V HN 1.466 nan 8.190 nan 0.000 0.478 138 G N 5.183 113.868 108.800 -0.192 0.000 2.531 138 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.477 138 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.477 138 G C 0.156 174.950 174.900 -0.175 0.000 1.342 138 G CA 0.338 45.298 45.100 -0.233 0.000 0.911 138 G HN 1.254 nan 8.290 nan 0.000 0.532 139 T N 1.483 115.929 114.554 -0.181 0.000 2.801 139 T HA 0.470 4.820 4.350 -0.000 0.000 0.306 139 T C 1.817 176.406 174.700 -0.185 0.000 1.020 139 T CA -0.348 61.672 62.100 -0.132 0.000 0.948 139 T CB 1.095 69.912 68.868 -0.085 0.000 0.962 139 T HN 0.478 nan 8.240 nan 0.000 0.465 140 L N 2.273 123.379 121.223 -0.194 0.000 2.017 140 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 140 L C 0.124 176.567 176.870 -0.712 0.000 1.073 140 L CA 1.665 56.249 54.840 -0.427 0.000 0.745 140 L CB -0.115 41.770 42.059 -0.290 0.000 0.894 140 L HN 0.502 nan 8.230 nan 0.000 0.432 141 F N -2.138 117.787 119.950 -0.040 0.000 2.620 141 F HA 0.463 4.990 4.527 -0.000 0.000 0.320 141 F C -2.242 173.559 175.800 0.003 0.000 1.069 141 F CA -2.605 55.390 58.000 -0.007 0.000 0.953 141 F CB 0.388 39.399 39.000 0.017 0.000 1.322 141 F HN -0.337 nan 8.300 nan 0.000 0.479 142 P HA 0.298 nan 4.420 nan 0.000 0.272 142 P C -0.712 176.655 177.300 0.112 0.000 1.223 142 P CA -0.139 63.033 63.100 0.120 0.000 0.784 142 P CB 1.158 32.926 31.700 0.112 0.000 0.923 143 T N 1.360 115.957 114.554 0.072 0.000 2.885 143 T HA 0.281 4.631 4.350 -0.000 0.000 0.322 143 T C -0.061 174.662 174.700 0.039 0.000 1.387 143 T CA -0.497 61.642 62.100 0.065 0.000 1.041 143 T CB 0.432 69.341 68.868 0.069 0.000 1.287 143 T HN -0.054 nan 8.240 nan 0.000 0.491 144 L N 3.212 124.455 121.223 0.034 0.000 2.592 144 L HA 0.247 4.587 4.340 -0.000 0.000 0.227 144 L C 2.314 179.193 176.870 0.015 0.000 1.127 144 L CA 0.916 55.768 54.840 0.020 0.000 0.884 144 L CB -1.185 40.882 42.059 0.014 0.000 1.065 144 L HN 0.741 nan 8.230 nan 0.000 0.457 145 T N -1.041 113.523 114.554 0.017 0.000 2.851 145 T HA -0.065 4.285 4.350 -0.000 0.000 0.262 145 T C 1.063 175.762 174.700 -0.001 0.000 1.043 145 T CA 0.705 62.809 62.100 0.006 0.000 1.140 145 T CB 0.212 69.080 68.868 0.001 0.000 0.872 145 T HN -0.034 nan 8.240 nan 0.000 0.446 146 K N 1.797 122.196 120.400 -0.001 0.000 2.234 146 K HA 0.489 4.809 4.320 -0.000 0.000 0.282 146 K C 1.008 177.611 176.600 0.004 0.000 1.039 146 K CA -0.037 56.249 56.287 -0.002 0.000 0.928 146 K CB 0.876 33.372 32.500 -0.007 0.000 1.039 146 K HN 0.057 nan 8.250 nan 0.000 0.470 147 K N 1.707 122.110 120.400 0.005 0.000 2.211 147 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 147 K C 0.981 177.587 176.600 0.009 0.000 1.050 147 K CA 2.078 58.370 56.287 0.008 0.000 0.945 147 K CB -1.435 31.071 32.500 0.009 0.000 0.732 147 K HN 0.890 nan 8.250 nan 0.000 0.451 156 T N -1.241 113.110 114.554 -0.338 0.000 2.833 156 T HA 0.089 4.439 4.350 -0.000 0.000 0.269 156 T C 2.544 177.133 174.700 -0.186 0.000 1.054 156 T CA 2.384 64.354 62.100 -0.217 0.000 1.135 156 T CB -0.520 68.266 68.868 -0.138 0.000 0.869 156 T HN 1.461 nan 8.240 nan 0.000 0.466 157 A N 1.887 124.620 122.820 -0.145 0.000 1.940 157 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 157 A C 2.702 180.208 177.584 -0.131 0.000 1.176 157 A CA 1.817 53.780 52.037 -0.124 0.000 0.631 157 A CB -1.587 17.412 19.000 -0.001 0.000 0.814 157 A HN 0.632 nan 8.150 nan 0.000 0.446 158 G N -0.966 107.740 108.800 -0.157 0.000 2.403 158 G HA2 0.111 4.071 3.960 -0.000 0.000 0.216 158 G HA3 0.111 4.071 3.960 -0.000 0.000 0.216 158 G C 1.703 176.491 174.900 -0.187 0.000 1.154 158 G CA 1.179 46.174 45.100 -0.175 0.000 0.784 158 G HN 0.776 nan 8.290 nan 0.000 0.538 159 A N 0.788 123.491 122.820 -0.195 0.000 1.930 159 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 159 A C 2.359 179.862 177.584 -0.135 0.000 1.175 159 A CA 1.108 53.043 52.037 -0.170 0.000 0.627 159 A CB -0.335 18.565 19.000 -0.166 0.000 0.815 159 A HN 0.363 nan 8.150 nan 0.000 0.443 160 I N -0.731 119.757 120.570 -0.138 0.000 2.163 160 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 160 I C 2.691 178.755 176.117 -0.088 0.000 1.085 160 I CA 1.416 62.646 61.300 -0.116 0.000 1.347 160 I CB -0.321 37.592 38.000 -0.145 0.000 1.044 160 I HN 0.282 nan 8.210 nan 0.000 0.408 161 R N -0.038 120.410 120.500 -0.087 0.000 2.139 161 R HA -0.147 4.193 4.340 -0.000 0.000 0.243 161 R C 2.221 178.487 176.300 -0.055 0.000 1.145 161 R CA 1.195 57.260 56.100 -0.058 0.000 0.976 161 R CB -0.378 29.895 30.300 -0.044 0.000 0.866 161 R HN 0.274 nan 8.270 nan 0.000 0.449 162 V N 1.031 120.897 119.914 -0.079 0.000 2.346 162 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 162 V C 2.205 178.257 176.094 -0.070 0.000 1.037 162 V CA 1.325 63.579 62.300 -0.077 0.000 1.029 162 V CB -0.249 31.510 31.823 -0.107 0.000 0.663 162 V HN 0.259 nan 8.190 nan 0.000 0.454 163 L N -0.153 121.027 121.223 -0.073 0.000 2.127 163 L HA -0.205 4.134 4.340 -0.000 0.000 0.211 163 L C 2.264 179.104 176.870 -0.050 0.000 1.089 163 L CA 1.487 56.290 54.840 -0.062 0.000 0.757 163 L CB -0.733 41.293 42.059 -0.055 0.000 0.899 163 L HN 0.341 nan 8.230 nan 0.000 0.434 164 D N 0.180 120.554 120.400 -0.043 0.000 2.144 164 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 164 D C 2.225 178.505 176.300 -0.033 0.000 0.978 164 D CA 1.411 55.392 54.000 -0.032 0.000 0.833 164 D CB 0.064 40.848 40.800 -0.027 0.000 0.961 164 D HN 0.298 nan 8.370 nan 0.000 0.470 165 A N 0.325 123.124 122.820 -0.035 0.000 1.968 165 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 165 A C 2.212 179.766 177.584 -0.051 0.000 1.169 165 A CA 0.488 52.507 52.037 -0.030 0.000 0.638 165 A CB -0.563 18.425 19.000 -0.019 0.000 0.812 165 A HN 0.215 nan 8.150 nan 0.000 0.446 166 L N -1.081 120.098 121.223 -0.073 0.000 2.456 166 L HA -0.122 4.218 4.340 -0.000 0.000 0.224 166 L C 2.344 179.152 176.870 -0.105 0.000 1.148 166 L CA 1.323 56.092 54.840 -0.119 0.000 0.825 166 L CB -0.167 41.812 42.059 -0.133 0.000 0.937 166 L HN 0.449 nan 8.230 nan 0.000 0.450 167 E N -0.124 120.038 120.200 -0.062 0.000 2.175 167 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 167 E C 2.148 178.733 176.600 -0.025 0.000 0.934 167 E CA 0.165 56.540 56.400 -0.041 0.000 0.870 167 E CB 0.130 29.812 29.700 -0.029 0.000 0.838 167 E HN 0.121 nan 8.360 nan 0.000 0.474 168 R N 0.451 120.938 120.500 -0.022 0.000 2.139 168 R HA -0.115 4.225 4.340 -0.000 0.000 0.243 168 R C 0.753 177.051 176.300 -0.002 0.000 1.145 168 R CA 1.882 57.976 56.100 -0.010 0.000 0.976 168 R CB -0.200 30.095 30.300 -0.009 0.000 0.866 168 R HN 0.061 nan 8.270 nan 0.000 0.449 169 N N 0.591 119.282 118.700 -0.014 0.000 2.336 169 N HA -0.040 4.700 4.740 -0.000 0.000 0.189 169 N C -0.522 174.989 175.510 0.002 0.000 1.113 169 N CA 0.171 53.220 53.050 -0.002 0.000 0.858 169 N CB 0.233 38.710 38.487 -0.016 0.000 0.970 169 N HN 0.222 nan 8.380 nan 0.000 0.471 170 N N 0.793 119.488 118.700 -0.009 0.000 2.686 170 N HA -0.247 4.493 4.740 -0.000 0.000 0.261 170 N C -0.745 174.743 175.510 -0.036 0.000 1.001 170 N CA 0.581 53.645 53.050 0.023 0.000 0.764 170 N CB -1.020 37.526 38.487 0.100 0.000 0.898 170 N HN 0.295 nan 8.380 nan 0.000 0.544 171 A N 2.336 124.966 122.820 -0.316 0.000 3.202 171 A HA 0.100 4.420 4.320 -0.000 0.000 0.258 171 A C 1.552 178.633 177.584 -0.838 0.000 1.572 171 A CA 0.083 51.527 52.037 -0.988 0.000 1.241 171 A CB -0.613 17.744 19.000 -1.073 0.000 1.127 171 A HN 0.680 nan 8.150 nan 0.000 0.648 172 H N -1.310 117.611 119.070 -0.249 0.000 2.518 172 H HA -0.219 4.337 4.556 -0.000 0.000 0.294 172 H C 1.235 176.558 175.328 -0.008 0.000 1.083 172 H CA 1.653 57.663 56.048 -0.064 0.000 1.264 172 H CB -0.353 29.454 29.762 0.075 0.000 1.370 172 H HN 0.935 nan 8.280 nan 0.000 0.560 173 W N 0.428 121.481 121.300 -0.412 0.000 3.290 173 W HA 0.384 5.043 4.660 -0.000 0.000 0.287 173 W C -0.191 176.274 176.519 -0.090 0.000 1.288 173 W CA -1.173 56.026 57.345 -0.243 0.000 1.725 173 W CB -0.602 28.643 29.460 -0.358 0.000 1.103 173 W HN 0.136 nan 8.180 nan 0.000 0.670 174 C N 4.825 123.845 119.300 -0.466 0.000 2.271 174 C HA 0.537 4.997 4.460 -0.000 0.000 0.323 174 C C 0.563 175.456 174.990 -0.162 0.000 1.245 174 C CA -1.113 57.719 59.018 -0.310 0.000 1.548 174 C CB -0.252 27.148 27.740 -0.566 0.000 2.214 174 C HN 0.153 nan 8.230 nan 0.000 0.477 175 R N 2.747 123.202 120.500 -0.075 0.000 2.652 175 R HA 0.598 4.938 4.340 -0.000 0.000 0.271 175 R C 0.295 176.503 176.300 -0.153 0.000 1.129 175 R CA -0.039 55.975 56.100 -0.144 0.000 1.200 175 R CB 0.604 30.711 30.300 -0.322 0.000 1.146 175 R HN 0.861 nan 8.270 nan 0.000 0.581 176 T N -2.743 111.711 114.554 -0.167 0.000 2.952 176 T HA 0.557 4.907 4.350 -0.000 0.000 0.305 176 T C -0.231 174.424 174.700 -0.075 0.000 1.064 176 T CA -0.923 61.128 62.100 -0.083 0.000 1.008 176 T CB 1.366 70.199 68.868 -0.058 0.000 1.078 176 T HN 0.383 nan 8.240 nan 0.000 0.459 177 V N -0.268 119.651 119.914 0.009 0.000 2.769 177 V HA 1.026 5.146 4.120 -0.000 0.000 0.312 177 V C 0.350 176.458 176.094 0.023 0.000 1.061 177 V CA -0.778 61.549 62.300 0.046 0.000 0.931 177 V CB 1.527 33.437 31.823 0.146 0.000 1.010 177 V HN 1.311 nan 8.190 nan 0.000 0.433 178 G N 2.113 110.914 108.800 0.000 0.000 2.389 178 G HA2 0.727 4.687 3.960 -0.000 0.000 0.317 178 G HA3 0.727 4.687 3.960 -0.000 0.000 0.317 178 G C -1.099 173.778 174.900 -0.039 0.000 1.137 178 G CA -0.641 44.441 45.100 -0.029 0.000 0.870 178 G HN 1.114 nan 8.290 nan 0.000 0.496 179 I N 0.018 120.555 120.570 -0.055 0.000 2.827 179 I HA 0.647 4.817 4.170 -0.000 0.000 0.298 179 I C -0.170 175.918 176.117 -0.049 0.000 1.235 179 I CA -0.250 61.007 61.300 -0.072 0.000 1.021 179 I CB 2.223 40.156 38.000 -0.112 0.000 1.259 179 I HN 1.234 nan 8.210 nan 0.000 0.427 180 G N 4.268 113.046 108.800 -0.037 0.000 2.798 180 G HA2 0.396 4.356 3.960 -0.000 0.000 0.658 180 G HA3 0.396 4.356 3.960 -0.000 0.000 0.658 180 G C 0.387 175.349 174.900 0.103 0.000 1.148 180 G CA -0.336 44.767 45.100 0.004 0.000 1.200 180 G HN 1.882 nan 8.290 nan 0.000 0.519 181 G N -0.714 108.129 108.800 0.071 0.000 2.132 181 G HA2 0.011 3.971 3.960 -0.000 0.000 0.234 181 G HA3 0.011 3.971 3.960 -0.000 0.000 0.234 181 G C 0.324 175.273 174.900 0.082 0.000 0.989 181 G CA 0.350 45.546 45.100 0.159 0.000 0.676 181 G HN 1.563 nan 8.290 nan 0.000 0.522 182 L N 2.103 123.260 121.223 -0.110 0.000 2.313 182 L HA 0.598 4.938 4.340 -0.000 0.000 0.282 182 L C 0.668 177.254 176.870 -0.474 0.000 1.092 182 L CA -0.259 54.470 54.840 -0.186 0.000 0.831 182 L CB 0.351 42.334 42.059 -0.125 0.000 1.159 182 L HN 0.322 nan 8.230 nan 0.000 0.442 183 H N 3.552 122.545 119.070 -0.127 0.000 2.960 183 H HA 0.296 4.852 4.556 -0.000 0.000 0.338 183 H C -1.924 173.333 175.328 -0.118 0.000 1.261 183 H CA -1.465 54.518 56.048 -0.108 0.000 1.136 183 H CB 1.406 31.103 29.762 -0.109 0.000 1.875 183 H HN 0.181 nan 8.280 nan 0.000 0.550 184 P HA -0.125 nan 4.420 nan 0.000 0.223 184 P C 0.571 177.843 177.300 -0.046 0.000 1.144 184 P CA 1.575 64.665 63.100 -0.016 0.000 0.783 184 P CB -0.026 31.674 31.700 -0.000 0.000 0.771 185 D N -1.728 118.645 120.400 -0.046 0.000 2.349 185 D HA -0.067 4.573 4.640 -0.000 0.000 0.224 185 D C 0.929 177.151 176.300 -0.131 0.000 1.029 185 D CA 0.258 54.212 54.000 -0.077 0.000 0.879 185 D CB -0.723 40.026 40.800 -0.086 0.000 0.906 185 D HN 0.165 nan 8.370 nan 0.000 0.528 186 N N -0.361 118.235 118.700 -0.174 0.000 1.958 186 N HA 0.001 4.741 4.740 -0.000 0.000 0.223 186 N C 0.705 176.071 175.510 -0.239 0.000 1.395 186 N CA -0.289 52.608 53.050 -0.255 0.000 0.737 186 N CB -0.882 37.328 38.487 -0.461 0.000 1.155 186 N HN 0.228 nan 8.380 nan 0.000 0.529 187 I N 1.787 122.233 120.570 -0.207 0.000 2.233 187 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 187 I C 2.182 178.102 176.117 -0.330 0.000 1.093 187 I CA 1.522 62.700 61.300 -0.203 0.000 1.380 187 I CB 0.037 37.949 38.000 -0.146 0.000 1.067 187 I HN 0.246 nan 8.210 nan 0.000 0.413 188 E N 1.028 120.956 120.200 -0.453 0.000 2.077 188 E HA -0.294 4.056 4.350 -0.000 0.000 0.193 188 E C 2.192 178.266 176.600 -0.876 0.000 0.989 188 E CA 1.001 56.924 56.400 -0.795 0.000 0.800 188 E CB -0.508 28.696 29.700 -0.826 0.000 0.746 188 E HN 0.460 nan 8.360 nan 0.000 0.452 189 R N 1.525 121.606 120.500 -0.697 0.000 2.096 189 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 189 R C 2.239 178.447 176.300 -0.154 0.000 1.127 189 R CA 1.148 57.057 56.100 -0.318 0.000 0.968 189 R CB -0.174 30.053 30.300 -0.123 0.000 0.861 189 R HN 0.074 nan 8.270 nan 0.000 0.440 190 V N 1.085 120.903 119.914 -0.160 0.000 2.261 190 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 190 V C 2.255 178.269 176.094 -0.135 0.000 1.047 190 V CA 1.383 63.638 62.300 -0.074 0.000 1.015 190 V CB -0.444 31.379 31.823 -0.000 0.000 0.642 190 V HN 0.284 nan 8.190 nan 0.000 0.446 191 L N -0.911 120.169 121.223 -0.238 0.000 2.079 191 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 191 L C 2.197 178.988 176.870 -0.131 0.000 1.081 191 L CA 1.979 56.680 54.840 -0.231 0.000 0.752 191 L CB -1.251 40.541 42.059 -0.445 0.000 0.896 191 L HN 0.513 nan 8.230 nan 0.000 0.433 192 Y N 0.557 120.648 120.300 -0.347 0.000 2.220 192 Y HA -0.247 4.303 4.550 -0.000 0.000 0.291 192 Y C 2.368 178.217 175.900 -0.086 0.000 1.129 192 Y CA 1.400 59.433 58.100 -0.111 0.000 1.161 192 Y CB 0.273 38.720 38.460 -0.022 0.000 0.997 192 Y HN 0.433 nan 8.280 nan 0.000 0.522 193 Q N -1.621 118.026 119.800 -0.255 0.000 2.282 193 Q HA 0.160 4.500 4.340 -0.000 0.000 0.206 193 Q C 0.244 176.078 176.000 -0.276 0.000 0.878 193 Q CA 0.012 55.576 55.803 -0.399 0.000 0.944 193 Q CB -0.028 28.474 28.738 -0.393 0.000 1.100 193 Q HN 0.246 nan 8.270 nan 0.000 0.509 194 C N 3.184 122.380 119.300 -0.173 0.000 2.400 194 C HA 0.460 4.920 4.460 -0.000 0.000 0.457 194 C C 0.244 175.177 174.990 -0.095 0.000 1.020 194 C CA -0.842 58.098 59.018 -0.131 0.000 1.258 194 C CB -1.497 26.185 27.740 -0.096 0.000 1.532 194 C HN 0.373 nan 8.230 nan 0.000 0.537 195 V N 0.773 120.621 119.914 -0.109 0.000 2.925 195 V HA 0.691 4.811 4.120 -0.000 0.000 0.311 195 V C 0.093 176.196 176.094 0.016 0.000 1.104 195 V CA -0.567 61.714 62.300 -0.030 0.000 0.954 195 V CB 1.528 33.346 31.823 -0.009 0.000 1.022 195 V HN 0.419 nan 8.190 nan 0.000 0.427 196 S N 2.186 117.913 115.700 0.046 0.000 2.559 196 S HA 0.079 4.549 4.470 -0.000 0.000 0.282 196 S C 1.415 176.094 174.600 0.131 0.000 1.336 196 S CA 0.576 58.805 58.200 0.048 0.000 1.037 196 S CB 0.863 64.079 63.200 0.027 0.000 0.853 196 S HN 1.020 nan 8.310 nan 0.000 0.523 197 S N 2.453 118.202 115.700 0.081 0.000 2.419 197 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 197 S C 1.581 176.140 174.600 -0.069 0.000 1.016 197 S CA 1.382 59.632 58.200 0.084 0.000 0.974 197 S CB -0.543 62.666 63.200 0.014 0.000 0.786 197 S HN 0.923 nan 8.310 nan 0.000 0.492 198 N N 0.593 119.263 118.700 -0.050 0.000 2.398 198 N HA 0.161 4.900 4.740 -0.000 0.000 0.188 198 N C 1.025 176.491 175.510 -0.074 0.000 1.122 198 N CA 0.899 53.891 53.050 -0.096 0.000 0.866 198 N CB -0.477 37.975 38.487 -0.057 0.000 0.970 198 N HN 0.300 nan 8.380 nan 0.000 0.462 199 G N 0.240 109.049 108.800 0.015 0.000 2.184 199 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.264 199 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.264 199 G C 0.928 175.872 174.900 0.073 0.000 0.975 199 G CA 0.665 45.827 45.100 0.103 0.000 0.642 199 G HN 0.488 nan 8.290 nan 0.000 0.536 200 K N -0.509 119.913 120.400 0.037 0.000 2.361 200 K HA 0.129 4.449 4.320 -0.000 0.000 0.196 200 K C 1.253 177.874 176.600 0.035 0.000 1.039 200 K CA 0.284 56.589 56.287 0.030 0.000 1.001 200 K CB 0.327 32.834 32.500 0.012 0.000 0.795 200 K HN 0.377 nan 8.250 nan 0.000 0.495 201 R N 0.861 121.382 120.500 0.035 0.000 2.628 201 R HA 0.187 4.527 4.340 -0.000 0.000 0.288 201 R C -1.156 175.160 176.300 0.026 0.000 0.980 201 R CA -0.257 55.858 56.100 0.024 0.000 0.891 201 R CB 1.762 32.062 30.300 0.000 0.000 1.188 201 R HN 0.023 nan 8.270 nan 0.000 0.450 202 S N 3.555 119.272 115.700 0.028 0.000 2.806 202 S HA 0.510 4.980 4.470 -0.000 0.000 0.306 202 S C -0.266 174.342 174.600 0.013 0.000 1.167 202 S CA -0.987 57.226 58.200 0.022 0.000 0.847 202 S CB 0.863 64.093 63.200 0.050 0.000 1.216 202 S HN 0.471 nan 8.310 nan 0.000 0.532 203 L N 1.639 122.866 121.223 0.008 0.000 2.490 203 L HA 0.185 4.525 4.340 -0.000 0.000 0.274 203 L C 0.744 177.633 176.870 0.031 0.000 1.201 203 L CA -0.074 54.768 54.840 0.004 0.000 0.869 203 L CB 0.138 42.196 42.059 -0.003 0.000 1.123 203 L HN 0.763 nan 8.230 nan 0.000 0.484 204 D N 1.967 122.381 120.400 0.024 0.000 2.349 204 D HA 0.142 4.782 4.640 -0.000 0.000 0.215 204 D C 0.730 177.097 176.300 0.111 0.000 1.016 204 D CA 0.504 54.544 54.000 0.067 0.000 0.870 204 D CB 0.930 41.759 40.800 0.049 0.000 0.917 204 D HN 0.771 nan 8.370 nan 0.000 0.524 205 G N 0.151 109.004 108.800 0.089 0.000 2.322 205 G HA2 0.412 4.371 3.960 -0.000 0.000 0.295 205 G HA3 0.412 4.371 3.960 -0.000 0.000 0.295 205 G C -1.848 173.102 174.900 0.083 0.000 1.369 205 G CA -0.795 44.373 45.100 0.112 0.000 0.821 205 G HN 0.014 nan 8.290 nan 0.000 0.536 206 I N -0.264 120.355 120.570 0.082 0.000 2.545 206 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 206 I C -0.518 175.620 176.117 0.034 0.000 1.040 206 I CA -0.663 60.658 61.300 0.034 0.000 1.068 206 I CB 2.220 40.220 38.000 0.000 0.000 1.251 206 I HN 0.504 nan 8.210 nan 0.000 0.424 207 C N 6.389 125.670 119.300 -0.032 0.000 2.329 207 C HA 0.710 5.170 4.460 -0.000 0.000 0.329 207 C C -0.017 174.893 174.990 -0.132 0.000 1.275 207 C CA -0.451 58.499 59.018 -0.112 0.000 1.726 207 C CB 0.951 28.549 27.740 -0.236 0.000 2.291 207 C HN 0.519 nan 8.230 nan 0.000 0.514 208 V N 3.780 123.616 119.914 -0.130 0.000 2.914 208 V HA 0.877 4.997 4.120 -0.000 0.000 0.314 208 V C -0.418 175.598 176.094 -0.130 0.000 1.084 208 V CA -0.414 61.796 62.300 -0.151 0.000 0.963 208 V CB 1.494 33.227 31.823 -0.151 0.000 1.025 208 V HN 0.590 nan 8.190 nan 0.000 0.432 209 V N 1.738 121.577 119.914 -0.125 0.000 3.671 209 V HA 0.078 4.198 4.120 -0.000 0.000 0.202 209 V C 2.517 178.578 176.094 -0.055 0.000 1.188 209 V CA 1.305 63.555 62.300 -0.084 0.000 1.325 209 V CB 0.061 31.840 31.823 -0.074 0.000 1.470 209 V HN 1.103 nan 8.190 nan 0.000 0.520 210 S N 0.715 116.394 115.700 -0.034 0.000 2.400 210 S HA -0.302 4.167 4.470 -0.000 0.000 0.232 210 S C 1.561 176.186 174.600 0.041 0.000 1.025 210 S CA 2.323 60.537 58.200 0.023 0.000 0.993 210 S CB -0.634 62.617 63.200 0.084 0.000 0.808 210 S HN 0.625 nan 8.310 nan 0.000 0.478 211 D N 0.713 121.101 120.400 -0.021 0.000 2.219 211 D HA 0.051 4.691 4.640 -0.000 0.000 0.205 211 D C 1.604 177.906 176.300 0.003 0.000 0.970 211 D CA 1.292 55.300 54.000 0.013 0.000 0.851 211 D CB -0.089 40.635 40.800 -0.127 0.000 0.943 211 D HN 0.603 nan 8.370 nan 0.000 0.488 212 I N -0.639 119.917 120.570 -0.024 0.000 3.136 212 I HA -0.059 4.111 4.170 -0.000 0.000 0.262 212 I C 1.781 177.889 176.117 -0.014 0.000 1.132 212 I CA -0.190 61.097 61.300 -0.021 0.000 1.450 212 I CB 0.127 38.106 38.000 -0.034 0.000 1.315 212 I HN -0.044 nan 8.210 nan 0.000 0.460 213 I N 1.862 122.421 120.570 -0.018 0.000 2.118 213 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 213 I C 2.480 178.596 176.117 -0.001 0.000 1.070 213 I CA 1.893 63.185 61.300 -0.012 0.000 1.327 213 I CB -1.356 36.635 38.000 -0.015 0.000 1.034 213 I HN 0.173 nan 8.210 nan 0.000 0.405 214 A N -0.013 122.810 122.820 0.006 0.000 2.276 214 A HA 0.055 4.375 4.320 -0.000 0.000 0.212 214 A C 1.270 178.861 177.584 0.011 0.000 1.230 214 A CA 0.211 52.254 52.037 0.011 0.000 0.844 214 A CB -0.470 18.540 19.000 0.017 0.000 0.860 214 A HN 0.357 nan 8.150 nan 0.000 0.486 215 S N -0.413 115.292 115.700 0.009 0.000 2.545 215 S HA 0.409 4.879 4.470 -0.000 0.000 0.275 215 S C 1.056 175.659 174.600 0.005 0.000 1.299 215 S CA -0.635 57.571 58.200 0.008 0.000 1.048 215 S CB 0.345 63.550 63.200 0.007 0.000 0.938 215 S HN 0.383 nan 8.310 nan 0.000 0.496 216 L N 2.415 123.640 121.223 0.004 0.000 2.275 216 L HA 0.105 4.444 4.340 -0.000 0.000 0.215 216 L C 0.713 177.585 176.870 0.004 0.000 1.119 216 L CA 0.829 55.671 54.840 0.003 0.000 0.790 216 L CB -0.131 41.929 42.059 0.001 0.000 0.919 216 L HN 0.616 nan 8.230 nan 0.000 0.443 217 D N -0.520 119.882 120.400 0.003 0.000 2.400 217 D HA 0.292 4.931 4.640 -0.000 0.000 0.272 217 D C 0.741 177.040 176.300 -0.000 0.000 1.220 217 D CA -0.028 53.973 54.000 0.002 0.000 0.897 217 D CB 1.411 42.212 40.800 0.002 0.000 1.134 217 D HN 0.016 nan 8.370 nan 0.000 0.507 218 A N 2.398 125.217 122.820 -0.003 0.000 1.972 218 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 218 A C 2.126 179.702 177.584 -0.013 0.000 1.169 218 A CA 1.701 53.732 52.037 -0.009 0.000 0.635 218 A CB -0.229 18.762 19.000 -0.014 0.000 0.810 218 A HN 0.532 nan 8.150 nan 0.000 0.446 219 A N 0.027 122.841 122.820 -0.010 0.000 1.877 219 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 219 A C 2.143 179.723 177.584 -0.008 0.000 1.186 219 A CA 2.011 54.042 52.037 -0.011 0.000 0.620 219 A CB -0.456 18.541 19.000 -0.004 0.000 0.822 219 A HN 0.556 nan 8.150 nan 0.000 0.443 220 K N -0.334 120.064 120.400 -0.004 0.000 2.025 220 K HA -0.102 4.217 4.320 -0.000 0.000 0.207 220 K C 2.249 178.848 176.600 -0.003 0.000 1.049 220 K CA 1.548 57.834 56.287 -0.002 0.000 0.933 220 K CB -0.243 32.257 32.500 -0.000 0.000 0.714 220 K HN 0.388 nan 8.250 nan 0.000 0.438 221 S N 0.281 115.980 115.700 -0.003 0.000 2.374 221 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 221 S C 1.861 176.456 174.600 -0.007 0.000 1.037 221 S CA 1.990 60.190 58.200 -0.001 0.000 1.024 221 S CB -0.449 62.752 63.200 0.001 0.000 0.861 221 S HN 0.481 nan 8.310 nan 0.000 0.456 222 T N 1.523 116.069 114.554 -0.013 0.000 2.777 222 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 222 T C 1.810 176.503 174.700 -0.011 0.000 1.040 222 T CA 0.996 63.085 62.100 -0.017 0.000 1.141 222 T CB -0.169 68.684 68.868 -0.026 0.000 0.868 222 T HN 0.335 nan 8.240 nan 0.000 0.444 223 K N 0.641 121.036 120.400 -0.008 0.000 2.103 223 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 223 K C 2.195 178.795 176.600 0.000 0.000 1.048 223 K CA 1.106 57.391 56.287 -0.003 0.000 0.930 223 K CB -0.285 32.215 32.500 -0.001 0.000 0.716 223 K HN 0.350 nan 8.250 nan 0.000 0.444 224 I N 0.940 121.510 120.570 -0.000 0.000 2.163 224 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 224 I C 2.227 178.344 176.117 0.000 0.000 1.081 224 I CA 1.018 62.319 61.300 0.001 0.000 1.353 224 I CB -0.220 37.781 38.000 0.001 0.000 1.054 224 I HN 0.180 nan 8.210 nan 0.000 0.407 225 L N -0.029 121.191 121.223 -0.007 0.000 2.079 225 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 225 L C 2.803 179.674 176.870 0.001 0.000 1.081 225 L CA 1.090 55.923 54.840 -0.011 0.000 0.752 225 L CB -0.698 41.347 42.059 -0.023 0.000 0.896 225 L HN 0.264 nan 8.230 nan 0.000 0.433 226 R N 0.502 121.004 120.500 0.003 0.000 2.083 226 R HA -0.120 4.219 4.340 -0.000 0.000 0.237 226 R C 2.259 178.572 176.300 0.021 0.000 1.137 226 R CA 1.541 57.648 56.100 0.011 0.000 0.951 226 R CB -1.282 29.021 30.300 0.005 0.000 0.851 226 R HN 0.413 nan 8.270 nan 0.000 0.434 227 G N 1.057 109.868 108.800 0.018 0.000 2.513 227 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 227 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 227 G C 1.355 176.281 174.900 0.044 0.000 1.160 227 G CA 0.780 45.896 45.100 0.025 0.000 0.767 227 G HN 0.206 nan 8.290 nan 0.000 0.571 228 L N 0.515 121.764 121.223 0.043 0.000 2.056 228 L HA 0.115 4.455 4.340 -0.000 0.000 0.207 228 L C 2.861 179.808 176.870 0.127 0.000 1.078 228 L CA 0.911 55.793 54.840 0.070 0.000 0.749 228 L CB -0.669 41.396 42.059 0.010 0.000 0.901 228 L HN 0.246 nan 8.230 nan 0.000 0.433 229 I N 0.138 120.760 120.570 0.087 0.000 2.252 229 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 229 I C 1.127 177.327 176.117 0.139 0.000 1.102 229 I CA 1.351 62.720 61.300 0.116 0.000 1.385 229 I CB -0.363 37.675 38.000 0.064 0.000 1.064 229 I HN 0.374 nan 8.210 nan 0.000 0.414 230 D N 0.100 120.549 120.400 0.081 0.000 2.358 230 D HA 0.052 4.692 4.640 -0.000 0.000 0.224 230 D C 0.570 176.878 176.300 0.013 0.000 1.123 230 D CA -0.202 53.825 54.000 0.046 0.000 0.833 230 D CB -0.103 40.714 40.800 0.029 0.000 0.946 230 D HN 0.146 nan 8.370 nan 0.000 0.505 231 K N -0.178 120.237 120.400 0.025 0.000 2.117 231 K HA 0.390 4.710 4.320 -0.000 0.000 0.240 231 K C 0.573 177.020 176.600 -0.254 0.000 1.031 231 K CA -0.029 56.229 56.287 -0.048 0.000 0.909 231 K CB 0.775 33.293 32.500 0.030 0.000 1.097 231 K HN 0.045 nan 8.250 nan 0.000 0.492 232 T N -2.669 111.658 114.554 -0.378 0.000 3.080 232 T HA 0.214 4.564 4.350 -0.000 0.000 0.280 232 T C -0.634 173.676 174.700 -0.651 0.000 0.926 232 T CA -0.503 61.218 62.100 -0.632 0.000 0.883 232 T CB 0.232 68.923 68.868 -0.294 0.000 1.194 232 T HN 0.391 nan 8.240 nan 0.000 0.541 233 D N 1.471 121.657 120.400 -0.357 0.000 2.278 233 D HA 0.312 4.952 4.640 -0.000 0.000 0.245 233 D C -1.655 174.719 176.300 0.123 0.000 1.052 233 D CA -0.425 53.502 54.000 -0.123 0.000 0.834 233 D CB 1.800 42.564 40.800 -0.061 0.000 1.194 233 D HN 0.138 nan 8.370 nan 0.000 0.481 234 Y N 1.370 121.677 120.300 0.011 0.000 2.842 234 Y HA 0.307 4.857 4.550 -0.000 0.000 0.334 234 Y C -0.114 175.766 175.900 -0.034 0.000 1.019 234 Y CA -1.218 56.907 58.100 0.041 0.000 1.258 234 Y CB -0.017 38.406 38.460 -0.062 0.000 1.106 234 Y HN 0.337 nan 8.280 nan 0.000 0.545 235 K N 5.906 126.255 120.400 -0.085 0.000 2.127 235 K HA 0.259 4.578 4.320 -0.000 0.000 0.261 235 K C 0.117 176.484 176.600 -0.389 0.000 1.129 235 K CA 0.076 56.198 56.287 -0.275 0.000 0.993 235 K CB -1.742 30.664 32.500 -0.158 0.000 1.410 235 K HN 0.762 nan 8.250 nan 0.000 0.380 236 F N 0.048 119.630 119.950 -0.612 0.000 2.789 236 F HA 0.392 4.918 4.527 -0.000 0.000 0.300 236 F C 0.391 176.048 175.800 -0.239 0.000 1.132 236 F CA -0.507 57.105 58.000 -0.647 0.000 1.404 236 F CB 0.205 38.606 39.000 -0.998 0.000 1.114 236 F HN 0.188 nan 8.300 nan 0.000 0.584 237 V N 1.248 120.851 119.914 -0.518 0.000 2.932 237 V HA 0.356 4.476 4.120 -0.000 0.000 0.307 237 V C -0.927 175.030 176.094 -0.229 0.000 1.147 237 V CA -0.950 61.195 62.300 -0.259 0.000 0.951 237 V CB 1.862 33.545 31.823 -0.233 0.000 1.031 237 V HN 0.127 nan 8.190 nan 0.000 0.426 238 N N 5.471 124.106 118.700 -0.108 0.000 3.210 238 N HA 0.369 5.109 4.740 -0.000 0.000 0.314 238 N C -0.673 174.797 175.510 -0.066 0.000 1.291 238 N CA 0.340 53.338 53.050 -0.086 0.000 1.202 238 N CB -0.823 37.630 38.487 -0.057 0.000 1.475 238 N HN 0.620 nan 8.380 nan 0.000 0.554 239 I N -1.502 119.007 120.570 -0.102 0.000 3.095 239 I HA 0.399 4.569 4.170 -0.000 0.000 0.310 239 I C 0.774 176.835 176.117 -0.093 0.000 1.196 239 I CA -1.656 59.605 61.300 -0.064 0.000 0.985 239 I CB 1.974 39.952 38.000 -0.037 0.000 1.250 239 I HN 0.058 nan 8.210 nan 0.000 0.446 240 G N 2.129 110.901 108.800 -0.047 0.000 2.441 240 G HA2 0.427 4.387 3.960 -0.000 0.000 0.243 240 G HA3 0.427 4.387 3.960 -0.000 0.000 0.243 240 G C 0.119 174.983 174.900 -0.060 0.000 1.281 240 G CA -0.184 44.888 45.100 -0.047 0.000 0.854 240 G HN 0.593 nan 8.290 nan 0.000 0.560 241 L N 1.465 122.646 121.223 -0.071 0.000 2.906 241 L HA 0.148 4.488 4.340 -0.000 0.000 0.255 241 L C 1.018 177.877 176.870 -0.019 0.000 1.166 241 L CA -0.191 54.615 54.840 -0.056 0.000 0.977 241 L CB 0.226 42.222 42.059 -0.104 0.000 1.313 241 L HN 0.371 nan 8.230 nan 0.000 0.549 242 S N 0.629 116.319 115.700 -0.017 0.000 2.558 242 S HA -0.010 4.460 4.470 -0.000 0.000 0.293 242 S C 0.577 175.167 174.600 -0.018 0.000 1.292 242 S CA 0.184 58.380 58.200 -0.007 0.000 1.063 242 S CB 0.423 63.626 63.200 0.005 0.000 0.831 242 S HN 0.156 nan 8.310 nan 0.000 0.499 243 T N 5.375 119.919 114.554 -0.016 0.000 2.799 243 T HA 0.155 4.504 4.350 -0.000 0.000 0.296 243 T C 0.098 174.786 174.700 -0.020 0.000 0.947 243 T CA -0.278 61.795 62.100 -0.045 0.000 1.141 243 T CB 0.123 68.974 68.868 -0.029 0.000 0.891 243 T HN 0.278 nan 8.240 nan 0.000 0.533 244 K N 3.735 124.114 120.400 -0.034 0.000 2.307 244 K HA 0.353 4.673 4.320 -0.000 0.000 0.263 244 K C 0.470 177.146 176.600 0.126 0.000 0.973 244 K CA -0.692 55.635 56.287 0.067 0.000 0.846 244 K CB 1.542 34.058 32.500 0.026 0.000 1.100 244 K HN 0.394 nan 8.250 nan 0.000 0.438 245 N N 0.269 119.061 118.700 0.153 0.000 2.322 245 N HA 0.015 4.755 4.740 -0.000 0.000 0.181 245 N C -0.348 175.338 175.510 0.293 0.000 1.088 245 N CA 0.155 53.324 53.050 0.197 0.000 0.885 245 N CB 0.651 39.215 38.487 0.128 0.000 1.013 245 N HN 0.305 nan 8.380 nan 0.000 0.472 246 S N 1.930 117.780 115.700 0.250 0.000 2.499 246 S HA 0.211 4.681 4.470 -0.000 0.000 0.275 246 S C 0.334 175.076 174.600 0.237 0.000 1.257 246 S CA -0.606 57.738 58.200 0.239 0.000 1.050 246 S CB 0.963 64.264 63.200 0.168 0.000 0.937 246 S HN 0.068 nan 8.310 nan 0.000 0.490 247 L N 3.026 124.344 121.223 0.159 0.000 2.558 247 L HA -0.019 4.321 4.340 -0.000 0.000 0.301 247 L C 1.121 178.015 176.870 0.039 0.000 1.267 247 L CA 0.965 55.832 54.840 0.044 0.000 0.854 247 L CB -0.455 41.585 42.059 -0.031 0.000 1.103 247 L HN 0.600 nan 8.230 nan 0.000 0.522 248 T N 1.882 116.426 114.554 -0.016 0.000 2.769 248 T HA 0.241 4.591 4.350 -0.000 0.000 0.293 248 T C 0.518 175.116 174.700 -0.170 0.000 0.931 248 T CA -0.347 61.647 62.100 -0.177 0.000 1.139 248 T CB -0.119 68.661 68.868 -0.147 0.000 0.881 248 T HN 0.801 nan 8.240 nan 0.000 0.532 249 T N 1.196 115.628 114.554 -0.204 0.000 2.868 249 T HA 0.115 4.465 4.350 -0.000 0.000 0.292 249 T C 1.709 176.305 174.700 -0.173 0.000 1.028 249 T CA -0.556 61.455 62.100 -0.148 0.000 1.059 249 T CB 0.800 69.596 68.868 -0.121 0.000 0.991 249 T HN 0.402 nan 8.240 nan 0.000 0.531 250 T N 1.224 115.680 114.554 -0.164 0.000 2.759 250 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 250 T C 1.321 175.898 174.700 -0.204 0.000 1.042 250 T CA 1.797 63.768 62.100 -0.214 0.000 1.140 250 T CB -0.601 68.142 68.868 -0.208 0.000 0.864 250 T HN 0.702 nan 8.240 nan 0.000 0.455 251 D N 0.638 120.944 120.400 -0.155 0.000 2.178 251 D HA -0.020 4.620 4.640 -0.000 0.000 0.202 251 D C 2.179 178.402 176.300 -0.128 0.000 0.974 251 D CA 0.811 54.733 54.000 -0.129 0.000 0.841 251 D CB -0.145 40.597 40.800 -0.096 0.000 0.953 251 D HN 0.507 nan 8.370 nan 0.000 0.478 252 E N 0.070 120.177 120.200 -0.156 0.000 2.046 252 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 252 E C 2.232 178.751 176.600 -0.135 0.000 0.982 252 E CA 0.341 56.643 56.400 -0.162 0.000 0.800 252 E CB 0.032 29.558 29.700 -0.290 0.000 0.756 252 E HN 0.241 nan 8.360 nan 0.000 0.449 253 I N 1.210 121.684 120.570 -0.159 0.000 2.264 253 I HA -0.349 3.821 4.170 -0.000 0.000 0.248 253 I C 2.738 178.790 176.117 -0.110 0.000 1.111 253 I CA 1.321 62.545 61.300 -0.126 0.000 1.382 253 I CB -0.253 37.628 38.000 -0.199 0.000 1.060 253 I HN 0.207 nan 8.210 nan 0.000 0.418 254 Q N 0.187 119.895 119.800 -0.152 0.000 2.079 254 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 254 Q C 2.336 178.297 176.000 -0.066 0.000 0.974 254 Q CA 1.987 57.718 55.803 -0.121 0.000 0.840 254 Q CB -0.003 28.650 28.738 -0.140 0.000 0.898 254 Q HN 0.346 nan 8.270 nan 0.000 0.430 255 S N -0.100 115.562 115.700 -0.063 0.000 2.355 255 S HA -0.104 4.366 4.470 -0.000 0.000 0.222 255 S C 1.887 176.475 174.600 -0.020 0.000 1.031 255 S CA 1.023 59.200 58.200 -0.038 0.000 0.993 255 S CB -0.254 62.924 63.200 -0.036 0.000 0.859 255 S HN 0.425 nan 8.310 nan 0.000 0.453 256 I N 1.901 122.462 120.570 -0.015 0.000 2.068 256 I HA -0.239 3.931 4.170 -0.000 0.000 0.238 256 I C 2.291 178.413 176.117 0.009 0.000 1.046 256 I CA 1.702 63.006 61.300 0.007 0.000 1.306 256 I CB -1.515 36.498 38.000 0.021 0.000 1.023 256 I HN 0.349 nan 8.210 nan 0.000 0.399 257 I N 0.685 121.269 120.570 0.023 0.000 2.151 257 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 257 I C 2.777 178.896 176.117 0.004 0.000 1.080 257 I CA 1.461 62.782 61.300 0.035 0.000 1.339 257 I CB -0.433 37.615 38.000 0.079 0.000 1.039 257 I HN 0.199 nan 8.210 nan 0.000 0.409 258 S N 0.694 116.389 115.700 -0.008 0.000 2.365 258 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 258 S C 1.819 176.403 174.600 -0.028 0.000 1.039 258 S CA 1.547 59.735 58.200 -0.020 0.000 1.033 258 S CB -0.419 62.767 63.200 -0.023 0.000 0.887 258 S HN 0.443 nan 8.310 nan 0.000 0.447 259 N N 0.750 119.433 118.700 -0.028 0.000 2.069 259 N HA -0.122 4.618 4.740 -0.000 0.000 0.191 259 N C 2.134 177.597 175.510 -0.077 0.000 1.031 259 N CA 1.895 54.917 53.050 -0.046 0.000 0.852 259 N CB -0.978 37.491 38.487 -0.030 0.000 1.018 259 N HN 0.591 nan 8.380 nan 0.000 0.423 260 T N 0.795 115.317 114.554 -0.054 0.000 2.821 260 T HA -0.022 4.327 4.350 -0.000 0.000 0.267 260 T C 2.186 176.854 174.700 -0.053 0.000 1.046 260 T CA 0.626 62.690 62.100 -0.060 0.000 1.139 260 T CB -0.265 68.590 68.868 -0.022 0.000 0.871 260 T HN 0.109 nan 8.240 nan 0.000 0.454 261 L N 0.447 121.649 121.223 -0.035 0.000 2.079 261 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 261 L C 2.986 179.834 176.870 -0.036 0.000 1.081 261 L CA 1.886 56.709 54.840 -0.029 0.000 0.752 261 L CB -0.456 41.586 42.059 -0.028 0.000 0.896 261 L HN 0.355 nan 8.230 nan 0.000 0.433 262 K N 0.022 120.393 120.400 -0.049 0.000 2.228 262 K HA -0.061 4.259 4.320 -0.000 0.000 0.202 262 K C 1.798 178.353 176.600 -0.074 0.000 1.051 262 K CA 0.985 57.243 56.287 -0.048 0.000 0.960 262 K CB 0.149 32.623 32.500 -0.043 0.000 0.743 262 K HN 0.249 nan 8.250 nan 0.000 0.458 263 A N 1.076 123.814 122.820 -0.137 0.000 2.195 263 A HA 0.046 4.366 4.320 -0.000 0.000 0.210 263 A C 0.613 178.116 177.584 -0.135 0.000 1.165 263 A CA 0.224 52.114 52.037 -0.244 0.000 0.806 263 A CB -0.232 18.395 19.000 -0.620 0.000 0.847 263 A HN 0.485 nan 8.150 nan 0.000 0.482 264 R N -0.455 120.003 120.500 -0.069 0.000 3.022 264 R HA -0.138 4.202 4.340 -0.000 0.000 0.248 264 R C -2.594 173.715 176.300 0.015 0.000 0.874 264 R CA 0.371 56.464 56.100 -0.012 0.000 0.626 264 R CB -1.552 28.754 30.300 0.010 0.000 1.255 264 R HN 0.242 nan 8.270 nan 0.000 0.496 265 P HA 0.006 nan 4.420 nan 0.000 0.271 265 P C -0.550 176.801 177.300 0.085 0.000 1.216 265 P CA -0.430 62.712 63.100 0.071 0.000 0.776 265 P CB 0.621 32.355 31.700 0.057 0.000 0.881 266 L N 5.153 126.443 121.223 0.112 0.000 2.261 266 L HA 0.307 4.647 4.340 -0.000 0.000 0.289 266 L C -0.982 175.958 176.870 0.115 0.000 1.059 266 L CA -0.159 54.747 54.840 0.109 0.000 0.816 266 L CB 0.327 42.451 42.059 0.109 0.000 1.191 266 L HN 0.032 nan 8.230 nan 0.000 0.431 267 V N 6.023 125.997 119.914 0.101 0.000 2.328 267 V HA 0.316 4.436 4.120 -0.000 0.000 0.278 267 V C 0.107 176.249 176.094 0.079 0.000 1.021 267 V CA -0.490 61.842 62.300 0.053 0.000 0.838 267 V CB 1.153 32.988 31.823 0.019 0.000 0.999 267 V HN 0.850 nan 8.190 nan 0.000 0.447 268 Q N 4.159 123.980 119.800 0.035 0.000 2.337 268 Q HA 0.260 4.599 4.340 -0.000 0.000 0.255 268 Q C -0.837 175.148 176.000 -0.026 0.000 0.997 268 Q CA -0.427 55.419 55.803 0.072 0.000 0.925 268 Q CB 0.383 29.189 28.738 0.114 0.000 1.212 268 Q HN 0.785 nan 8.270 nan 0.000 0.436 269 H N 3.836 122.912 119.070 0.010 0.000 2.604 269 H HA 0.320 4.876 4.556 -0.000 0.000 0.306 269 H C -0.628 174.708 175.328 0.014 0.000 1.075 269 H CA -0.143 55.905 56.048 -0.000 0.000 1.357 269 H CB 0.698 30.465 29.762 0.008 0.000 1.426 269 H HN 0.559 nan 8.280 nan 0.000 0.470 270 I N 3.617 124.237 120.570 0.084 0.000 2.371 270 I HA 0.267 4.437 4.170 -0.000 0.000 0.282 270 I C 0.209 176.372 176.117 0.077 0.000 1.031 270 I CA -0.078 61.270 61.300 0.080 0.000 1.180 270 I CB 0.905 38.939 38.000 0.057 0.000 1.336 270 I HN 0.550 nan 8.210 nan 0.000 0.467 271 T N 3.144 117.756 114.554 0.097 0.000 2.671 271 T HA 0.332 4.682 4.350 -0.000 0.000 0.300 271 T C 0.410 175.175 174.700 0.107 0.000 1.238 271 T CA -0.457 61.700 62.100 0.094 0.000 1.020 271 T CB 1.330 70.273 68.868 0.125 0.000 1.503 271 T HN 0.571 nan 8.240 nan 0.000 0.497 272 N N 0.105 118.891 118.700 0.144 0.000 2.023 272 N HA 0.187 4.927 4.740 -0.000 0.000 0.177 272 N C 1.300 176.875 175.510 0.109 0.000 1.114 272 N CA 1.427 54.563 53.050 0.145 0.000 0.940 272 N CB -0.149 38.475 38.487 0.230 0.000 1.016 272 N HN 0.658 nan 8.380 nan 0.000 0.429 273 K N -0.837 119.622 120.400 0.099 0.000 2.563 273 K HA 0.159 4.479 4.320 -0.000 0.000 0.189 273 K C 1.408 178.016 176.600 0.012 0.000 1.803 273 K CA 0.568 56.885 56.287 0.050 0.000 1.139 273 K CB -0.686 31.833 32.500 0.032 0.000 1.648 273 K HN 0.226 nan 8.250 nan 0.000 0.583 274 V N -0.641 119.252 119.914 -0.035 0.000 2.488 274 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 274 V C 2.162 178.148 176.094 -0.180 0.000 1.046 274 V CA 2.002 64.200 62.300 -0.170 0.000 1.053 274 V CB -0.910 30.704 31.823 -0.348 0.000 0.679 274 V HN 0.649 nan 8.190 nan 0.000 0.458 275 H N -0.355 118.764 119.070 0.081 0.000 2.547 275 H HA 0.151 4.707 4.556 -0.000 0.000 0.272 275 H C 2.344 177.702 175.328 0.051 0.000 0.971 275 H CA 0.656 56.764 56.048 0.101 0.000 1.245 275 H CB -0.033 29.780 29.762 0.084 0.000 1.440 275 H HN 0.362 nan 8.280 nan 0.000 0.540 276 Q N 0.861 120.734 119.800 0.122 0.000 1.998 276 Q HA -0.237 4.103 4.340 -0.000 0.000 0.209 276 Q C 1.879 177.867 176.000 -0.019 0.000 1.002 276 Q CA 1.883 57.702 55.803 0.027 0.000 0.858 276 Q CB -0.402 28.353 28.738 0.029 0.000 0.932 276 Q HN 0.407 nan 8.270 nan 0.000 0.416 277 N N 0.120 118.836 118.700 0.027 0.000 2.106 277 N HA -0.143 4.596 4.740 -0.000 0.000 0.188 277 N C 1.437 177.012 175.510 0.108 0.000 1.029 277 N CA 0.924 53.997 53.050 0.038 0.000 0.848 277 N CB -0.361 38.151 38.487 0.041 0.000 1.007 277 N HN 0.113 nan 8.380 nan 0.000 0.423 278 F N 0.803 120.735 119.950 -0.031 0.000 2.216 278 F HA 0.140 4.667 4.527 -0.000 0.000 0.300 278 F C 2.088 177.892 175.800 0.005 0.000 1.085 278 F CA 1.304 59.300 58.000 -0.005 0.000 1.326 278 F CB -0.832 38.177 39.000 0.015 0.000 1.027 278 F HN 0.096 nan 8.300 nan 0.000 0.497 279 G N -0.715 108.045 108.800 -0.066 0.000 2.421 279 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.217 279 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.217 279 G C 1.812 176.548 174.900 -0.274 0.000 1.143 279 G CA 0.579 45.569 45.100 -0.182 0.000 0.784 279 G HN 0.514 nan 8.290 nan 0.000 0.541 280 A N 0.962 123.611 122.820 -0.286 0.000 2.014 280 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 280 A C 2.083 179.612 177.584 -0.092 0.000 1.163 280 A CA 1.504 53.410 52.037 -0.218 0.000 0.652 280 A CB -0.433 18.468 19.000 -0.165 0.000 0.808 280 A HN 0.474 nan 8.150 nan 0.000 0.449 281 N N -0.192 118.469 118.700 -0.065 0.000 2.106 281 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 281 N C 1.557 177.035 175.510 -0.053 0.000 1.029 281 N CA 1.345 54.381 53.050 -0.023 0.000 0.848 281 N CB -0.194 38.335 38.487 0.069 0.000 1.007 281 N HN 0.226 nan 8.380 nan 0.000 0.423 282 V N 1.025 120.855 119.914 -0.142 0.000 2.332 282 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 282 V C 2.140 178.216 176.094 -0.029 0.000 1.055 282 V CA 1.801 64.031 62.300 -0.116 0.000 1.038 282 V CB -0.828 30.877 31.823 -0.195 0.000 0.651 282 V HN 0.427 nan 8.190 nan 0.000 0.450 283 T N 0.225 114.773 114.554 -0.009 0.000 2.708 283 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 283 T C 1.910 176.633 174.700 0.039 0.000 1.037 283 T CA 1.177 63.304 62.100 0.044 0.000 1.146 283 T CB -0.294 68.640 68.868 0.110 0.000 0.865 283 T HN 0.125 nan 8.240 nan 0.000 0.435 284 L N 1.418 122.655 121.223 0.024 0.000 2.012 284 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 284 L C 2.895 179.805 176.870 0.067 0.000 1.073 284 L CA 1.811 56.672 54.840 0.034 0.000 0.748 284 L CB -1.725 40.340 42.059 0.010 0.000 0.891 284 L HN 0.268 nan 8.230 nan 0.000 0.431 285 A N -0.717 122.144 122.820 0.068 0.000 1.908 285 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 285 A C 2.095 179.778 177.584 0.165 0.000 1.181 285 A CA 1.433 53.562 52.037 0.154 0.000 0.627 285 A CB -0.768 18.294 19.000 0.104 0.000 0.818 285 A HN 0.439 nan 8.150 nan 0.000 0.445 286 L N -0.523 120.748 121.223 0.078 0.000 2.675 286 L HA 0.179 4.519 4.340 -0.000 0.000 0.239 286 L C 1.411 178.307 176.870 0.043 0.000 1.151 286 L CA 0.339 55.206 54.840 0.046 0.000 0.905 286 L CB -0.733 41.343 42.059 0.028 0.000 1.057 286 L HN 0.591 nan 8.230 nan 0.000 0.435 287 G N 0.536 109.379 108.800 0.071 0.000 2.246 287 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.273 287 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.273 287 G C 0.061 174.985 174.900 0.040 0.000 1.055 287 G CA 0.396 45.531 45.100 0.059 0.000 0.851 287 G HN 0.476 nan 8.290 nan 0.000 0.500 288 S N -1.400 114.327 115.700 0.045 0.000 2.618 288 S HA 0.843 5.313 4.470 -0.000 0.000 0.277 288 S C -0.321 174.312 174.600 0.054 0.000 1.138 288 S CA -0.127 58.100 58.200 0.044 0.000 0.844 288 S CB 2.071 65.296 63.200 0.042 0.000 1.127 288 S HN 1.384 nan 8.310 nan 0.000 0.474 289 S N 1.030 116.765 115.700 0.060 0.000 2.442 289 S HA 0.684 5.154 4.470 -0.000 0.000 0.297 289 S C -3.005 171.646 174.600 0.084 0.000 1.131 289 S CA -1.409 56.828 58.200 0.062 0.000 1.092 289 S CB 0.484 63.717 63.200 0.055 0.000 0.998 289 S HN 0.505 nan 8.310 nan 0.000 0.478 290 P HA 0.525 nan 4.420 nan 0.000 0.286 290 P C -0.826 176.535 177.300 0.102 0.000 1.261 290 P CA -0.604 62.569 63.100 0.121 0.000 0.821 290 P CB 0.682 32.398 31.700 0.028 0.000 1.013 291 I N 3.192 123.848 120.570 0.144 0.000 2.533 291 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 291 I C 0.443 176.635 176.117 0.125 0.000 1.056 291 I CA -0.744 60.621 61.300 0.108 0.000 1.057 291 I CB 2.390 40.453 38.000 0.104 0.000 1.240 291 I HN 0.170 nan 8.210 nan 0.000 0.423 292 M N 4.062 123.713 119.600 0.085 0.000 2.869 292 M HA 0.135 4.615 4.480 -0.000 0.000 0.338 292 M C 0.485 176.831 176.300 0.076 0.000 1.227 292 M CA -0.046 55.305 55.300 0.085 0.000 0.946 292 M CB -0.155 32.474 32.600 0.048 0.000 1.299 292 M HN 0.480 nan 8.290 nan 0.000 0.518 293 S N 1.563 117.311 115.700 0.080 0.000 2.531 293 S HA 0.145 4.615 4.470 -0.000 0.000 0.279 293 S C 0.531 175.174 174.600 0.072 0.000 1.305 293 S CA 0.213 58.455 58.200 0.070 0.000 1.058 293 S CB 0.562 63.804 63.200 0.070 0.000 0.899 293 S HN 0.533 nan 8.310 nan 0.000 0.493 294 E N 4.072 124.308 120.200 0.059 0.000 2.869 294 E HA 0.278 4.628 4.350 -0.000 0.000 0.207 294 E C -0.842 175.785 176.600 0.045 0.000 0.986 294 E CA -0.040 56.394 56.400 0.056 0.000 1.131 294 E CB 0.454 30.186 29.700 0.053 0.000 1.098 294 E HN 0.643 nan 8.360 nan 0.000 0.459 295 I N 1.380 121.975 120.570 0.043 0.000 2.339 295 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 295 I C 1.499 177.633 176.117 0.028 0.000 0.994 295 I CA -0.473 60.846 61.300 0.031 0.000 1.191 295 I CB 1.615 39.631 38.000 0.028 0.000 1.343 295 I HN 0.002 nan 8.210 nan 0.000 0.458 296 Q N 2.683 122.494 119.800 0.017 0.000 2.112 296 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 296 Q C 2.061 178.063 176.000 0.004 0.000 0.987 296 Q CA 2.269 58.077 55.803 0.008 0.000 0.858 296 Q CB 0.064 28.799 28.738 -0.004 0.000 0.905 296 Q HN 0.894 nan 8.270 nan 0.000 0.420 297 S N 0.387 116.089 115.700 0.003 0.000 2.406 297 S HA -0.115 4.354 4.470 -0.000 0.000 0.228 297 S C 1.616 176.216 174.600 -0.000 0.000 1.020 297 S CA 0.771 58.970 58.200 -0.002 0.000 0.965 297 S CB -0.160 63.039 63.200 -0.002 0.000 0.798 297 S HN 0.324 nan 8.310 nan 0.000 0.488 298 E N 0.713 120.919 120.200 0.010 0.000 2.208 298 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 298 E C 1.900 178.506 176.600 0.009 0.000 0.988 298 E CA 0.500 56.908 56.400 0.013 0.000 0.828 298 E CB -0.176 29.540 29.700 0.026 0.000 0.763 298 E HN 0.297 nan 8.360 nan 0.000 0.478 299 V N 1.895 121.819 119.914 0.017 0.000 2.380 299 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 299 V C 1.919 177.989 176.094 -0.041 0.000 1.063 299 V CA 1.661 63.977 62.300 0.026 0.000 1.055 299 V CB -0.337 31.517 31.823 0.051 0.000 0.657 299 V HN 0.337 nan 8.190 nan 0.000 0.455 300 N N -0.263 118.406 118.700 -0.051 0.000 2.270 300 N HA -0.112 4.628 4.740 -0.000 0.000 0.181 300 N C 1.482 176.934 175.510 -0.096 0.000 1.016 300 N CA 1.353 54.351 53.050 -0.087 0.000 0.870 300 N CB -0.208 38.242 38.487 -0.062 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 -0.060 0.000 2.103 301 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 301 D C 2.044 178.312 176.300 -0.054 0.000 0.978 301 D CA 0.297 54.268 54.000 -0.048 0.000 0.829 301 D CB -0.199 40.587 40.800 -0.023 0.000 0.981 301 D HN 0.054 nan 8.370 nan 0.000 0.464 302 L N 1.520 122.718 121.223 -0.041 0.000 1.990 302 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 302 L C 2.456 179.266 176.870 -0.100 0.000 1.072 302 L CA 1.576 56.405 54.840 -0.019 0.000 0.755 302 L CB -1.403 40.687 42.059 0.051 0.000 0.889 302 L HN -0.025 nan 8.230 nan 0.000 0.432 303 A N -1.332 121.305 122.820 -0.305 0.000 2.125 303 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 303 A C 2.315 179.732 177.584 -0.277 0.000 1.156 303 A CA 1.434 53.118 52.037 -0.587 0.000 0.671 303 A CB -0.677 17.704 19.000 -1.032 0.000 0.794 303 A HN 0.421 nan 8.150 nan 0.000 0.459 304 A N -0.599 122.120 122.820 -0.168 0.000 2.123 304 A HA 0.306 4.626 4.320 -0.000 0.000 0.214 304 A C 0.939 178.484 177.584 -0.066 0.000 1.152 304 A CA -0.037 51.937 52.037 -0.104 0.000 0.728 304 A CB -0.307 18.646 19.000 -0.079 0.000 0.814 304 A HN 0.456 nan 8.150 nan 0.000 0.464 305 I N 1.289 121.832 120.570 -0.046 0.000 2.634 305 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 305 I C -2.151 173.964 176.117 -0.002 0.000 1.124 305 I CA -1.879 59.416 61.300 -0.009 0.000 1.417 305 I CB 0.853 38.864 38.000 0.019 0.000 1.396 305 I HN 0.050 nan 8.210 nan 0.000 0.571 306 P HA -0.004 nan 4.420 nan 0.000 0.265 306 P C -0.640 176.697 177.300 0.062 0.000 1.193 306 P CA 0.423 63.506 63.100 -0.028 0.000 0.765 306 P CB 0.101 31.822 31.700 0.034 0.000 0.823 307 H N -0.767 118.325 119.070 0.036 0.000 2.791 307 H HA -0.152 4.404 4.556 -0.000 0.000 0.302 307 H C 0.373 175.746 175.328 0.075 0.000 1.198 307 H CA 0.405 56.483 56.048 0.050 0.000 1.145 307 H CB -1.776 28.010 29.762 0.039 0.000 1.385 307 H HN 0.541 nan 8.280 nan 0.000 0.409 308 A N 0.513 123.428 122.820 0.159 0.000 2.351 308 A HA 0.658 4.978 4.320 -0.000 0.000 0.257 308 A C 0.621 178.379 177.584 0.289 0.000 1.087 308 A CA 0.552 52.719 52.037 0.217 0.000 0.798 308 A CB 0.831 19.948 19.000 0.194 0.000 1.033 308 A HN 0.308 nan 8.150 nan 0.000 0.488 309 T N 1.105 115.814 114.554 0.257 0.000 2.956 309 T HA 0.472 4.822 4.350 -0.000 0.000 0.312 309 T C -1.297 173.290 174.700 -0.188 0.000 1.151 309 T CA -0.340 61.803 62.100 0.072 0.000 1.024 309 T CB 1.235 70.121 68.868 0.030 0.000 1.140 309 T HN 0.592 nan 8.240 nan 0.000 0.473 310 L N 3.271 124.216 121.223 -0.464 0.000 2.322 310 L HA 0.685 5.025 4.340 -0.000 0.000 0.281 310 L C -1.187 175.496 176.870 -0.312 0.000 1.014 310 L CA -0.749 53.746 54.840 -0.575 0.000 0.815 310 L CB 1.158 42.638 42.059 -0.964 0.000 1.247 310 L HN 0.577 nan 8.230 nan 0.000 0.421 311 L N 6.765 127.815 121.223 -0.289 0.000 2.343 311 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 311 L C -1.452 175.311 176.870 -0.178 0.000 0.996 311 L CA -0.512 54.169 54.840 -0.265 0.000 0.831 311 L CB 1.472 43.276 42.059 -0.426 0.000 1.232 311 L HN 0.625 nan 8.230 nan 0.000 0.413 312 L N 4.962 126.112 121.223 -0.120 0.000 2.282 312 L HA 0.404 4.744 4.340 -0.000 0.000 0.288 312 L C -0.401 176.436 176.870 -0.055 0.000 1.033 312 L CA -0.408 54.415 54.840 -0.028 0.000 0.807 312 L CB 1.733 43.833 42.059 0.068 0.000 1.209 312 L HN 0.649 nan 8.230 nan 0.000 0.423 313 N N 0.823 119.501 118.700 -0.036 0.000 2.525 313 N HA 0.649 5.389 4.740 -0.000 0.000 0.288 313 N C -0.750 174.766 175.510 0.009 0.000 1.242 313 N CA -0.561 52.443 53.050 -0.078 0.000 0.905 313 N CB 1.808 40.231 38.487 -0.107 0.000 1.258 313 N HN 0.405 nan 8.380 nan 0.000 0.551 314 T N -1.441 113.107 114.554 -0.011 0.000 2.887 314 T HA 0.583 4.933 4.350 -0.000 0.000 0.292 314 T C 0.260 174.986 174.700 0.043 0.000 1.087 314 T CA 0.073 62.204 62.100 0.051 0.000 1.009 314 T CB 1.367 70.283 68.868 0.079 0.000 1.203 314 T HN 0.756 nan 8.240 nan 0.000 0.518 315 G N 1.419 110.252 108.800 0.056 0.000 2.221 315 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.265 315 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.265 315 G C 0.217 175.150 174.900 0.055 0.000 1.041 315 G CA 0.618 45.747 45.100 0.048 0.000 0.807 315 G HN 0.789 nan 8.290 nan 0.000 0.502 316 S N -1.964 113.773 115.700 0.063 0.000 2.669 316 S HA 0.528 4.998 4.470 -0.000 0.000 0.270 316 S C 1.457 176.092 174.600 0.059 0.000 1.225 316 S CA 0.250 58.488 58.200 0.064 0.000 0.991 316 S CB 1.775 65.017 63.200 0.070 0.000 0.987 316 S HN 1.101 nan 8.310 nan 0.000 0.552 317 V N 2.234 122.181 119.914 0.055 0.000 3.461 317 V HA 0.376 4.496 4.120 -0.000 0.000 0.267 317 V C 0.823 176.945 176.094 0.047 0.000 1.186 317 V CA 0.991 63.319 62.300 0.047 0.000 1.154 317 V CB -0.863 30.985 31.823 0.041 0.000 0.802 317 V HN 0.837 nan 8.190 nan 0.000 0.474 318 A N 1.619 124.472 122.820 0.055 0.000 2.363 318 A HA 0.657 4.977 4.320 -0.000 0.000 0.270 318 A C -2.367 175.252 177.584 0.058 0.000 1.121 318 A CA -1.238 50.831 52.037 0.054 0.000 0.800 318 A CB -0.000 19.035 19.000 0.060 0.000 1.052 318 A HN 0.395 nan 8.150 nan 0.000 0.493 319 P HA 0.210 nan 4.420 nan 0.000 0.271 319 P C -2.044 175.290 177.300 0.057 0.000 1.216 319 P CA -1.184 61.944 63.100 0.047 0.000 0.776 319 P CB 0.206 31.923 31.700 0.028 0.000 0.881 320 P HA -0.256 nan 4.420 nan 0.000 0.217 320 P C 1.575 178.869 177.300 -0.010 0.000 1.151 320 P CA 2.249 65.427 63.100 0.130 0.000 0.849 320 P CB -0.374 31.441 31.700 0.193 0.000 0.787 321 E N -0.201 119.983 120.200 -0.026 0.000 2.160 321 E HA -0.244 4.105 4.350 -0.000 0.000 0.195 321 E C 1.738 178.269 176.600 -0.116 0.000 0.991 321 E CA 2.103 58.449 56.400 -0.091 0.000 0.810 321 E CB -1.458 28.215 29.700 -0.046 0.000 0.742 321 E HN 0.487 nan 8.360 nan 0.000 0.466 322 M N -1.095 118.470 119.600 -0.058 0.000 2.357 322 M HA 0.248 4.728 4.480 -0.000 0.000 0.266 322 M C 2.236 178.514 176.300 -0.035 0.000 1.095 322 M CA 1.047 56.325 55.300 -0.038 0.000 1.156 322 M CB 0.127 32.728 32.600 0.002 0.000 1.365 322 M HN 0.180 nan 8.290 nan 0.000 0.447 323 L N 0.703 121.918 121.223 -0.013 0.000 2.012 323 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 323 L C 2.773 179.595 176.870 -0.080 0.000 1.073 323 L CA 2.011 56.873 54.840 0.037 0.000 0.748 323 L CB -1.034 41.122 42.059 0.161 0.000 0.891 323 L HN 0.487 nan 8.230 nan 0.000 0.431 324 K N 0.360 120.487 120.400 -0.454 0.000 2.044 324 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 324 K C 2.114 178.526 176.600 -0.313 0.000 1.049 324 K CA 1.749 57.533 56.287 -0.839 0.000 0.927 324 K CB -0.146 31.599 32.500 -1.258 0.000 0.713 324 K HN 0.292 nan 8.250 nan 0.000 0.443 325 A N 0.765 123.464 122.820 -0.201 0.000 1.908 325 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 325 A C 2.299 179.877 177.584 -0.009 0.000 1.181 325 A CA 2.022 54.003 52.037 -0.093 0.000 0.627 325 A CB -0.789 18.171 19.000 -0.067 0.000 0.818 325 A HN 0.533 nan 8.150 nan 0.000 0.445 326 A N -0.086 122.756 122.820 0.037 0.000 1.854 326 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 326 A C 2.117 179.834 177.584 0.222 0.000 1.192 326 A CA 1.370 53.496 52.037 0.149 0.000 0.611 326 A CB -0.652 18.435 19.000 0.145 0.000 0.832 326 A HN 0.458 nan 8.150 nan 0.000 0.442 327 I N -0.596 120.070 120.570 0.160 0.000 2.151 327 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 327 I C 2.717 178.929 176.117 0.159 0.000 1.080 327 I CA 2.069 63.484 61.300 0.192 0.000 1.339 327 I CB -0.278 37.851 38.000 0.215 0.000 1.039 327 I HN 0.393 nan 8.210 nan 0.000 0.409 328 R N 1.564 122.110 120.500 0.077 0.000 2.081 328 R HA -0.160 4.179 4.340 -0.000 0.000 0.235 328 R C 2.256 178.595 176.300 0.064 0.000 1.131 328 R CA 1.826 57.953 56.100 0.044 0.000 0.960 328 R CB -0.661 29.626 30.300 -0.022 0.000 0.856 328 R HN 0.337 nan 8.270 nan 0.000 0.436 329 A N -0.356 122.505 122.820 0.068 0.000 1.917 329 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 329 A C 2.085 179.654 177.584 -0.025 0.000 1.182 329 A CA 1.753 53.795 52.037 0.009 0.000 0.633 329 A CB -0.967 18.028 19.000 -0.009 0.000 0.819 329 A HN 0.559 nan 8.150 nan 0.000 0.448 330 Y N -0.300 120.023 120.300 0.039 0.000 2.263 330 Y HA -0.096 4.454 4.550 -0.000 0.000 0.292 330 Y C 2.352 178.289 175.900 0.061 0.000 1.130 330 Y CA 1.570 59.702 58.100 0.053 0.000 1.179 330 Y CB -0.482 38.023 38.460 0.075 0.000 0.998 330 Y HN 0.413 nan 8.280 nan 0.000 0.532 331 N N -0.168 118.659 118.700 0.211 0.000 2.289 331 N HA -0.173 4.567 4.740 -0.000 0.000 0.184 331 N C 0.930 176.508 175.510 0.113 0.000 1.016 331 N CA 0.955 54.102 53.050 0.162 0.000 0.872 331 N CB -0.053 38.519 38.487 0.141 0.000 0.973 331 N HN 0.295 nan 8.380 nan 0.000 0.433 332 D N 0.124 120.564 120.400 0.068 0.000 2.178 332 D HA -0.057 4.583 4.640 -0.000 0.000 0.202 332 D C 1.353 177.663 176.300 0.016 0.000 0.974 332 D CA 0.818 54.838 54.000 0.033 0.000 0.841 332 D CB 0.121 40.922 40.800 0.000 0.000 0.953 332 D HN 0.091 nan 8.370 nan 0.000 0.478 333 V N 0.669 120.583 119.914 0.001 0.000 3.444 333 V HA 0.066 4.186 4.120 -0.000 0.000 0.308 333 V C 0.448 176.546 176.094 0.007 0.000 1.371 333 V CA -0.234 62.054 62.300 -0.020 0.000 1.141 333 V CB -0.722 31.056 31.823 -0.075 0.000 1.037 333 V HN 0.185 nan 8.190 nan 0.000 0.433 334 K N 0.646 121.072 120.400 0.044 0.000 3.077 334 K HA -0.202 4.118 4.320 -0.000 0.000 0.264 334 K C 0.092 176.726 176.600 0.057 0.000 1.008 334 K CA 0.517 56.831 56.287 0.046 0.000 0.740 334 K CB -0.956 31.542 32.500 -0.003 0.000 1.273 334 K HN 0.444 nan 8.250 nan 0.000 0.477 335 R N -0.020 120.556 120.500 0.126 0.000 2.643 335 R HA 0.410 4.750 4.340 -0.000 0.000 0.272 335 R C -2.464 173.973 176.300 0.228 0.000 0.995 335 R CA -2.170 54.038 56.100 0.179 0.000 1.032 335 R CB 0.886 31.340 30.300 0.255 0.000 1.126 335 R HN -0.092 nan 8.270 nan 0.000 0.505 336 P HA 0.317 nan 4.420 nan 0.000 0.280 336 P C -0.476 176.887 177.300 0.105 0.000 1.244 336 P CA -0.083 63.112 63.100 0.158 0.000 0.784 336 P CB 0.607 32.375 31.700 0.113 0.000 0.913 337 I N 2.373 123.034 120.570 0.152 0.000 2.404 337 I HA 0.357 4.527 4.170 -0.000 0.000 0.293 337 I C -0.368 175.798 176.117 0.082 0.000 0.992 337 I CA -1.118 60.236 61.300 0.091 0.000 1.149 337 I CB 2.050 40.215 38.000 0.275 0.000 1.315 337 I HN -0.046 nan 8.210 nan 0.000 0.446 338 V N 6.130 126.017 119.914 -0.046 0.000 2.417 338 V HA 0.318 4.438 4.120 -0.000 0.000 0.291 338 V C -0.709 175.297 176.094 -0.147 0.000 1.024 338 V CA -0.596 61.661 62.300 -0.072 0.000 0.861 338 V CB 1.754 33.522 31.823 -0.092 0.000 0.985 338 V HN 0.427 nan 8.190 nan 0.000 0.436 339 F N 4.654 124.354 119.950 -0.418 0.000 2.332 339 F HA 0.558 5.085 4.527 -0.000 0.000 0.368 339 F C -0.079 175.517 175.800 -0.341 0.000 1.110 339 F CA -1.256 56.410 58.000 -0.556 0.000 1.087 339 F CB 1.087 39.503 39.000 -0.972 0.000 1.235 339 F HN 0.519 nan 8.300 nan 0.000 0.470 340 D N 8.546 128.599 120.400 -0.577 0.000 2.456 340 D HA 0.325 4.965 4.640 -0.000 0.000 0.287 340 D C -2.831 173.101 176.300 -0.614 0.000 1.186 340 D CA -2.422 51.255 54.000 -0.539 0.000 0.916 340 D CB 0.881 41.485 40.800 -0.327 0.000 1.029 340 D HN 0.162 nan 8.370 nan 0.000 0.498 341 P HA -0.036 nan 4.420 nan 0.000 0.263 341 P C 1.099 178.234 177.300 -0.276 0.000 1.195 341 P CA -0.123 62.630 63.100 -0.577 0.000 0.762 341 P CB 1.208 32.594 31.700 -0.524 0.000 0.799 342 V N 3.276 123.082 119.914 -0.180 0.000 2.951 342 V HA -0.031 4.089 4.120 -0.000 0.000 0.255 342 V C 2.232 178.311 176.094 -0.026 0.000 1.088 342 V CA 1.740 63.975 62.300 -0.107 0.000 1.109 342 V CB -1.362 30.409 31.823 -0.087 0.000 0.724 342 V HN 0.692 nan 8.190 nan 0.000 0.471 343 G N 0.042 108.841 108.800 -0.001 0.000 2.950 343 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.190 343 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.190 343 G C 0.343 175.278 174.900 0.059 0.000 1.458 343 G CA 1.116 46.234 45.100 0.031 0.000 0.800 343 G HN 0.573 nan 8.290 nan 0.000 0.685 344 Y N -0.565 119.705 120.300 -0.051 0.000 2.360 344 Y HA 0.431 4.981 4.550 -0.000 0.000 0.337 344 Y C 0.920 176.816 175.900 -0.006 0.000 1.039 344 Y CA 0.121 58.202 58.100 -0.032 0.000 1.109 344 Y CB 1.982 40.407 38.460 -0.057 0.000 1.201 344 Y HN 0.705 nan 8.280 nan 0.000 0.458 345 S N 2.587 117.922 115.700 -0.608 0.000 3.380 345 S HA -0.307 4.163 4.470 -0.000 0.000 0.300 345 S C 0.973 175.506 174.600 -0.111 0.000 1.255 345 S CA 1.101 59.088 58.200 -0.355 0.000 0.963 345 S CB -1.595 61.473 63.200 -0.220 0.000 1.106 345 S HN 1.318 nan 8.310 nan 0.000 0.629 346 A N 0.047 122.824 122.820 -0.072 0.000 2.016 346 A HA 0.379 4.699 4.320 -0.000 0.000 0.217 346 A C 1.200 178.766 177.584 -0.031 0.000 1.162 346 A CA 1.656 53.678 52.037 -0.024 0.000 0.662 346 A CB -0.246 18.753 19.000 -0.003 0.000 0.812 346 A HN 1.671 nan 8.150 nan 0.000 0.450 347 T N -5.476 109.047 114.554 -0.052 0.000 2.883 347 T HA 0.421 4.771 4.350 -0.000 0.000 0.301 347 T C 0.345 175.008 174.700 -0.062 0.000 1.158 347 T CA -0.332 61.742 62.100 -0.042 0.000 1.007 347 T CB 1.559 70.412 68.868 -0.025 0.000 1.186 347 T HN 0.026 nan 8.240 nan 0.000 0.499 348 E N 0.889 121.061 120.200 -0.046 0.000 2.097 348 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 348 E C 1.810 178.378 176.600 -0.052 0.000 1.000 348 E CA 1.965 58.336 56.400 -0.050 0.000 0.804 348 E CB -0.464 29.218 29.700 -0.030 0.000 0.740 348 E HN 0.809 nan 8.360 nan 0.000 0.454 349 T N 0.325 114.857 114.554 -0.036 0.000 2.788 349 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 349 T C 1.972 176.650 174.700 -0.035 0.000 1.044 349 T CA 1.114 63.199 62.100 -0.025 0.000 1.139 349 T CB -0.061 68.801 68.868 -0.009 0.000 0.867 349 T HN 0.134 nan 8.240 nan 0.000 0.454 350 R N 0.027 120.494 120.500 -0.054 0.000 2.057 350 R HA 0.046 4.386 4.340 -0.000 0.000 0.229 350 R C 2.357 178.572 176.300 -0.142 0.000 1.136 350 R CA 0.875 56.935 56.100 -0.066 0.000 0.952 350 R CB -0.633 29.631 30.300 -0.061 0.000 0.848 350 R HN 0.199 nan 8.270 nan 0.000 0.430 351 L N 1.151 122.226 121.223 -0.246 0.000 2.010 351 L HA -0.282 4.057 4.340 -0.000 0.000 0.219 351 L C 1.999 178.759 176.870 -0.183 0.000 1.077 351 L CA 1.840 56.456 54.840 -0.374 0.000 0.773 351 L CB -0.715 41.169 42.059 -0.293 0.000 0.892 351 L HN 0.222 nan 8.230 nan 0.000 0.436 352 L N -1.081 120.083 121.223 -0.100 0.000 1.978 352 L HA -0.269 4.071 4.340 -0.000 0.000 0.218 352 L C 2.640 179.494 176.870 -0.026 0.000 1.075 352 L CA 2.451 57.262 54.840 -0.047 0.000 0.767 352 L CB -1.220 40.822 42.059 -0.027 0.000 0.890 352 L HN 0.493 nan 8.230 nan 0.000 0.434 353 L N 0.089 121.308 121.223 -0.008 0.000 2.093 353 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 353 L C 2.243 179.139 176.870 0.042 0.000 1.085 353 L CA 1.635 56.492 54.840 0.029 0.000 0.755 353 L CB -0.678 41.415 42.059 0.056 0.000 0.904 353 L HN 0.267 nan 8.230 nan 0.000 0.435 354 N N 0.330 119.077 118.700 0.079 0.000 2.106 354 N HA -0.175 4.564 4.740 -0.000 0.000 0.188 354 N C 1.632 177.220 175.510 0.130 0.000 1.029 354 N CA 1.885 55.069 53.050 0.223 0.000 0.848 354 N CB -0.586 38.175 38.487 0.457 0.000 1.007 354 N HN 0.557 nan 8.380 nan 0.000 0.423 355 N N 0.722 119.479 118.700 0.095 0.000 2.223 355 N HA -0.109 4.631 4.740 -0.000 0.000 0.185 355 N C 1.681 177.122 175.510 -0.115 0.000 1.016 355 N CA 0.721 53.796 53.050 0.041 0.000 0.863 355 N CB 0.061 38.577 38.487 0.048 0.000 0.983 355 N HN 0.255 nan 8.380 nan 0.000 0.429 356 K N 1.004 121.303 120.400 -0.168 0.000 2.097 356 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 356 K C 1.830 177.925 176.600 -0.841 0.000 1.050 356 K CA 0.608 56.673 56.287 -0.369 0.000 0.938 356 K CB 0.052 32.431 32.500 -0.201 0.000 0.718 356 K HN 0.155 nan 8.250 nan 0.000 0.442 357 L N 0.825 121.743 121.223 -0.508 0.000 2.046 357 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 357 L C 1.980 178.621 176.870 -0.380 0.000 1.077 357 L CA 1.048 55.627 54.840 -0.435 0.000 0.747 357 L CB -0.253 41.720 42.059 -0.143 0.000 0.896 357 L HN 0.236 nan 8.230 nan 0.000 0.432 358 L N -0.428 120.608 121.223 -0.312 0.000 2.622 358 L HA -0.100 4.240 4.340 -0.000 0.000 0.233 358 L C 2.151 178.881 176.870 -0.232 0.000 1.156 358 L CA 0.998 55.694 54.840 -0.239 0.000 0.866 358 L CB -0.632 41.287 42.059 -0.233 0.000 0.980 358 L HN 0.411 nan 8.230 nan 0.000 0.448 359 T N -5.342 109.027 114.554 -0.309 0.000 3.023 359 T HA 0.093 4.443 4.350 -0.000 0.000 0.253 359 T C 1.347 176.096 174.700 0.082 0.000 1.038 359 T CA -0.045 61.987 62.100 -0.112 0.000 0.962 359 T CB -0.217 68.567 68.868 -0.141 0.000 1.018 359 T HN 0.221 nan 8.240 nan 0.000 0.521 360 F N 1.754 121.686 119.950 -0.029 0.000 2.512 360 F HA 0.452 4.979 4.527 -0.000 0.000 0.296 360 F C 1.740 177.464 175.800 -0.128 0.000 1.110 360 F CA -0.023 57.952 58.000 -0.042 0.000 1.446 360 F CB 0.409 39.399 39.000 -0.016 0.000 1.092 360 F HN 0.533 nan 8.300 nan 0.000 0.554 361 G N -0.800 107.930 108.800 -0.116 0.000 2.341 361 G HA2 0.193 4.153 3.960 -0.000 0.000 0.299 361 G HA3 0.193 4.153 3.960 -0.000 0.000 0.299 361 G C -1.997 172.601 174.900 -0.504 0.000 1.274 361 G CA -0.662 44.305 45.100 -0.221 0.000 0.853 361 G HN -0.273 nan 8.290 nan 0.000 0.493 362 Q N 0.224 119.803 119.800 -0.367 0.000 2.314 362 Q HA 0.543 4.883 4.340 -0.000 0.000 0.259 362 Q C -1.100 174.653 176.000 -0.411 0.000 0.951 362 Q CA -0.369 55.172 55.803 -0.438 0.000 0.909 362 Q CB 1.005 29.512 28.738 -0.385 0.000 1.236 362 Q HN 0.363 nan 8.270 nan 0.000 0.444 363 F N 0.658 120.528 119.950 -0.133 0.000 2.394 363 F HA 0.181 4.708 4.527 -0.000 0.000 0.340 363 F C 1.671 177.506 175.800 0.058 0.000 1.105 363 F CA -0.461 57.519 58.000 -0.033 0.000 1.124 363 F CB 1.354 40.330 39.000 -0.040 0.000 1.145 363 F HN 0.472 nan 8.300 nan 0.000 0.505 364 S N 0.874 116.806 115.700 0.388 0.000 2.414 364 S HA -0.071 4.398 4.470 -0.000 0.000 0.227 364 S C 0.096 174.864 174.600 0.280 0.000 1.022 364 S CA 0.341 58.777 58.200 0.393 0.000 0.958 364 S CB 0.062 63.443 63.200 0.302 0.000 0.797 364 S HN 0.692 nan 8.310 nan 0.000 0.493 365 C N 0.754 120.184 119.300 0.216 0.000 2.985 365 C HA 0.661 5.121 4.460 -0.000 0.000 0.332 365 C C -1.658 173.390 174.990 0.096 0.000 1.164 365 C CA -1.152 57.957 59.018 0.150 0.000 1.347 365 C CB 0.215 28.016 27.740 0.102 0.000 1.764 365 C HN 0.386 nan 8.230 nan 0.000 0.489 366 I N 4.858 125.480 120.570 0.086 0.000 2.436 366 I HA 0.481 4.650 4.170 -0.000 0.000 0.289 366 I C -0.458 175.635 176.117 -0.040 0.000 1.010 366 I CA -0.310 61.004 61.300 0.023 0.000 1.098 366 I CB 1.622 39.669 38.000 0.077 0.000 1.266 366 I HN 0.615 nan 8.210 nan 0.000 0.434 367 K N 5.362 125.676 120.400 -0.144 0.000 2.413 367 K HA 0.754 5.074 4.320 -0.000 0.000 0.257 367 K C -0.874 175.617 176.600 -0.181 0.000 0.946 367 K CA -0.367 55.840 56.287 -0.133 0.000 0.823 367 K CB 2.041 34.455 32.500 -0.144 0.000 1.109 367 K HN 0.834 nan 8.250 nan 0.000 0.427 368 G N 2.148 110.880 108.800 -0.112 0.000 2.694 368 G HA2 0.287 4.247 3.960 -0.000 0.000 0.290 368 G HA3 0.287 4.247 3.960 -0.000 0.000 0.290 368 G C -1.274 173.606 174.900 -0.034 0.000 1.386 368 G CA -0.999 44.038 45.100 -0.106 0.000 0.872 368 G HN 0.748 nan 8.290 nan 0.000 0.475 369 N N -1.474 117.216 118.700 -0.017 0.000 2.447 369 N HA 0.329 5.069 4.740 -0.000 0.000 0.271 369 N C 1.665 177.202 175.510 0.044 0.000 1.226 369 N CA 0.202 53.268 53.050 0.025 0.000 0.980 369 N CB 1.102 39.606 38.487 0.027 0.000 1.206 369 N HN 0.513 nan 8.380 nan 0.000 0.558 370 S N -0.377 115.364 115.700 0.069 0.000 2.393 370 S HA -0.310 4.160 4.470 -0.000 0.000 0.234 370 S C 1.647 176.281 174.600 0.057 0.000 1.064 370 S CA 1.824 60.068 58.200 0.074 0.000 1.088 370 S CB -1.200 62.048 63.200 0.080 0.000 0.939 370 S HN 0.555 nan 8.310 nan 0.000 0.448 371 S N 1.781 117.514 115.700 0.055 0.000 2.335 371 S HA -0.033 4.437 4.470 -0.000 0.000 0.217 371 S C 1.948 176.595 174.600 0.077 0.000 1.032 371 S CA 1.076 59.313 58.200 0.063 0.000 0.985 371 S CB -0.514 62.722 63.200 0.061 0.000 0.896 371 S HN 0.667 nan 8.310 nan 0.000 0.445 372 E N 0.703 120.941 120.200 0.063 0.000 2.108 372 E HA -0.194 4.156 4.350 -0.000 0.000 0.203 372 E C 1.906 178.488 176.600 -0.030 0.000 1.022 372 E CA 1.259 57.684 56.400 0.042 0.000 0.823 372 E CB -0.219 29.464 29.700 -0.029 0.000 0.744 372 E HN 0.330 nan 8.360 nan 0.000 0.456 373 I N 0.649 121.213 120.570 -0.009 0.000 2.193 373 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 373 I C 2.444 178.575 176.117 0.023 0.000 1.084 373 I CA 1.084 62.380 61.300 -0.006 0.000 1.365 373 I CB -0.874 37.143 38.000 0.028 0.000 1.064 373 I HN 0.181 nan 8.210 nan 0.000 0.410 374 L N 0.476 121.725 121.223 0.042 0.000 2.043 374 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 374 L C 2.646 179.561 176.870 0.075 0.000 1.075 374 L CA 1.641 56.511 54.840 0.050 0.000 0.752 374 L CB -1.208 40.879 42.059 0.048 0.000 0.891 374 L HN 0.300 nan 8.230 nan 0.000 0.432 375 G N 0.112 108.978 108.800 0.110 0.000 2.459 375 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 375 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 375 G C 1.618 176.642 174.900 0.207 0.000 1.183 375 G CA 0.697 45.916 45.100 0.199 0.000 0.776 375 G HN 0.245 nan 8.290 nan 0.000 0.552 376 L N 0.683 121.941 121.223 0.058 0.000 2.131 376 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 376 L C 3.249 180.201 176.870 0.137 0.000 1.092 376 L CA 0.930 55.780 54.840 0.016 0.000 0.759 376 L CB -0.226 41.742 42.059 -0.151 0.000 0.903 376 L HN 0.325 nan 8.230 nan 0.000 0.435 377 A N -0.967 121.908 122.820 0.092 0.000 2.167 377 A HA -0.106 4.214 4.320 -0.000 0.000 0.214 377 A C 0.968 178.591 177.584 0.064 0.000 1.151 377 A CA 0.434 52.514 52.037 0.073 0.000 0.735 377 A CB -0.245 18.783 19.000 0.047 0.000 0.802 377 A HN 0.546 nan 8.150 nan 0.000 0.467 378 E N -3.267 116.985 120.200 0.087 0.000 2.513 378 E HA -0.237 4.113 4.350 -0.000 0.000 0.257 378 E C 0.300 176.929 176.600 0.049 0.000 1.098 378 E CA 0.209 56.655 56.400 0.076 0.000 0.752 378 E CB -2.842 26.896 29.700 0.063 0.000 1.324 378 E HN 0.790 nan 8.360 nan 0.000 0.403 395 N N -0.210 118.471 118.700 -0.031 0.000 2.239 395 N HA 0.331 5.071 4.740 -0.000 0.000 0.208 395 N C 0.938 176.358 175.510 -0.150 0.000 1.200 395 N CA 0.416 53.437 53.050 -0.048 0.000 0.895 395 N CB 0.411 38.860 38.487 -0.063 0.000 1.085 395 N HN 0.562 nan 8.380 nan 0.000 0.500 396 E N -0.107 120.015 120.200 -0.130 0.000 2.140 396 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 396 E C 1.419 177.919 176.600 -0.166 0.000 0.973 396 E CA 0.296 56.600 56.400 -0.160 0.000 0.829 396 E CB 0.147 29.787 29.700 -0.100 0.000 0.781 396 E HN 0.139 nan 8.360 nan 0.000 0.466 397 L N 1.542 122.697 121.223 -0.112 0.000 2.013 397 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 397 L C 2.044 178.844 176.870 -0.117 0.000 1.073 397 L CA 1.656 56.443 54.840 -0.088 0.000 0.753 397 L CB -0.440 41.590 42.059 -0.048 0.000 0.890 397 L HN 0.141 nan 8.230 nan 0.000 0.432 398 L N -1.068 120.072 121.223 -0.139 0.000 2.079 398 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 398 L C 2.540 179.225 176.870 -0.309 0.000 1.081 398 L CA 1.493 56.242 54.840 -0.152 0.000 0.752 398 L CB -0.519 41.500 42.059 -0.067 0.000 0.896 398 L HN 0.359 nan 8.230 nan 0.000 0.433 399 I N -0.723 119.541 120.570 -0.510 0.000 2.202 399 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 399 I C 2.661 178.642 176.117 -0.227 0.000 1.091 399 I CA 1.342 62.332 61.300 -0.517 0.000 1.368 399 I CB -0.436 37.247 38.000 -0.528 0.000 1.058 399 I HN 0.439 nan 8.210 nan 0.000 0.410 400 Q N 1.146 120.846 119.800 -0.166 0.000 2.061 400 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 400 Q C 2.351 178.313 176.000 -0.064 0.000 0.984 400 Q CA 2.201 57.945 55.803 -0.097 0.000 0.846 400 Q CB -0.064 28.625 28.738 -0.080 0.000 0.902 400 Q HN 0.525 nan 8.270 nan 0.000 0.421 401 A N 0.185 122.969 122.820 -0.059 0.000 1.865 401 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 401 A C 2.260 179.847 177.584 0.006 0.000 1.191 401 A CA 2.190 54.217 52.037 -0.018 0.000 0.623 401 A CB -1.244 17.750 19.000 -0.010 0.000 0.826 401 A HN 0.519 nan 8.150 nan 0.000 0.444 402 T N 0.260 114.811 114.554 -0.005 0.000 2.699 402 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 402 T C 1.883 176.620 174.700 0.063 0.000 1.036 402 T CA 1.805 63.932 62.100 0.045 0.000 1.147 402 T CB -0.258 68.649 68.868 0.066 0.000 0.862 402 T HN 0.565 nan 8.240 nan 0.000 0.446 403 K N 0.646 121.064 120.400 0.031 0.000 2.025 403 K HA 0.032 4.352 4.320 -0.000 0.000 0.207 403 K C 2.305 178.951 176.600 0.076 0.000 1.049 403 K CA 1.100 57.414 56.287 0.046 0.000 0.933 403 K CB -0.478 32.021 32.500 -0.002 0.000 0.714 403 K HN 0.338 nan 8.250 nan 0.000 0.438 404 I N 1.210 121.806 120.570 0.044 0.000 2.113 404 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 404 I C 2.425 178.598 176.117 0.094 0.000 1.064 404 I CA 1.369 62.705 61.300 0.060 0.000 1.320 404 I CB -0.499 37.517 38.000 0.027 0.000 1.028 404 I HN -0.066 nan 8.210 nan 0.000 0.406 405 V N 0.864 120.840 119.914 0.103 0.000 2.295 405 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 405 V C 2.707 178.913 176.094 0.187 0.000 1.049 405 V CA 2.014 64.413 62.300 0.165 0.000 1.024 405 V CB -0.977 30.943 31.823 0.163 0.000 0.648 405 V HN 0.521 nan 8.190 nan 0.000 0.447 406 A N -0.757 122.159 122.820 0.160 0.000 1.908 406 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 406 A C 2.141 179.806 177.584 0.134 0.000 1.181 406 A CA 2.218 54.350 52.037 0.159 0.000 0.627 406 A CB -0.721 18.367 19.000 0.148 0.000 0.818 406 A HN 0.549 nan 8.150 nan 0.000 0.445 407 F N 0.185 120.126 119.950 -0.014 0.000 2.163 407 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 407 F C 2.216 177.932 175.800 -0.141 0.000 1.094 407 F CA 2.041 60.002 58.000 -0.064 0.000 1.290 407 F CB -0.054 38.907 39.000 -0.065 0.000 1.017 407 F HN 0.159 nan 8.300 nan 0.000 0.483 408 K N -0.107 120.209 120.400 -0.139 0.000 2.044 408 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 408 K C 1.150 177.364 176.600 -0.642 0.000 1.049 408 K CA 2.125 58.144 56.287 -0.446 0.000 0.927 408 K CB -0.595 31.564 32.500 -0.568 0.000 0.713 408 K HN 0.452 nan 8.250 nan 0.000 0.443 409 Y N 0.873 121.080 120.300 -0.156 0.000 2.571 409 Y HA 0.237 4.786 4.550 -0.000 0.000 0.275 409 Y C -0.365 175.397 175.900 -0.231 0.000 1.179 409 Y CA -0.593 57.408 58.100 -0.164 0.000 1.242 409 Y CB 0.538 38.974 38.460 -0.041 0.000 1.126 409 Y HN -0.145 nan 8.280 nan 0.000 0.524 410 K N 1.521 121.761 120.400 -0.265 0.000 3.777 410 K HA -0.227 4.093 4.320 -0.000 0.000 0.276 410 K C -0.065 176.527 176.600 -0.012 0.000 0.877 410 K CA 1.110 57.220 56.287 -0.295 0.000 0.724 410 K CB -1.376 30.639 32.500 -0.807 0.000 1.589 410 K HN 0.461 nan 8.250 nan 0.000 0.444 411 T N -2.014 112.596 114.554 0.092 0.000 2.816 411 T HA 0.464 4.814 4.350 -0.000 0.000 0.299 411 T C -0.957 173.862 174.700 0.199 0.000 1.230 411 T CA -0.608 61.605 62.100 0.189 0.000 1.007 411 T CB 1.743 70.730 68.868 0.198 0.000 1.289 411 T HN -0.057 nan 8.240 nan 0.000 0.508 412 V N 2.673 122.724 119.914 0.228 0.000 2.408 412 V HA 0.653 4.773 4.120 -0.000 0.000 0.267 412 V C 0.625 176.835 176.094 0.194 0.000 1.047 412 V CA -0.353 62.085 62.300 0.230 0.000 0.937 412 V CB 0.345 32.334 31.823 0.278 0.000 0.999 412 V HN 0.989 nan 8.190 nan 0.000 0.472 413 A N 5.541 128.471 122.820 0.184 0.000 2.317 413 A HA 0.830 5.150 4.320 -0.000 0.000 0.327 413 A C -0.691 176.980 177.584 0.146 0.000 1.178 413 A CA -0.508 51.617 52.037 0.147 0.000 0.817 413 A CB 1.416 20.500 19.000 0.141 0.000 1.189 413 A HN 0.619 nan 8.150 nan 0.000 0.489 414 V N 1.364 121.337 119.914 0.099 0.000 2.495 414 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 414 V C -0.432 175.711 176.094 0.083 0.000 1.031 414 V CA -0.591 61.766 62.300 0.095 0.000 0.871 414 V CB 1.398 33.246 31.823 0.041 0.000 0.988 414 V HN 1.023 nan 8.190 nan 0.000 0.432 415 C N 5.569 124.953 119.300 0.140 0.000 2.321 415 C HA 0.694 5.154 4.460 -0.000 0.000 0.323 415 C C 0.721 175.795 174.990 0.139 0.000 1.191 415 C CA -0.327 58.780 59.018 0.149 0.000 1.455 415 C CB -0.102 27.778 27.740 0.234 0.000 2.083 415 C HN 1.045 nan 8.230 nan 0.000 0.442 416 T N 3.184 117.782 114.554 0.074 0.000 2.889 416 T HA 0.807 5.157 4.350 -0.000 0.000 0.291 416 T C 0.430 175.176 174.700 0.077 0.000 0.995 416 T CA 0.397 62.529 62.100 0.054 0.000 1.092 416 T CB 1.595 70.476 68.868 0.022 0.000 0.954 416 T HN 1.517 nan 8.240 nan 0.000 0.506 417 G N 1.500 110.339 108.800 0.064 0.000 2.435 417 G HA2 0.334 4.294 3.960 -0.000 0.000 0.296 417 G HA3 0.334 4.294 3.960 -0.000 0.000 0.296 417 G C 0.128 175.061 174.900 0.056 0.000 1.240 417 G CA 0.073 45.223 45.100 0.083 0.000 0.872 417 G HN 0.689 nan 8.290 nan 0.000 0.480 418 E N -0.580 119.675 120.200 0.092 0.000 2.045 418 E HA -0.093 4.257 4.350 -0.000 0.000 0.212 418 E C 0.290 176.840 176.600 -0.084 0.000 1.039 418 E CA 1.451 57.880 56.400 0.049 0.000 0.860 418 E CB -0.251 29.573 29.700 0.207 0.000 0.776 418 E HN 0.294 nan 8.360 nan 0.000 0.467 419 F N 1.013 120.871 119.950 -0.154 0.000 2.394 419 F HA 0.263 4.790 4.527 -0.000 0.000 0.340 419 F C 0.079 175.567 175.800 -0.519 0.000 1.105 419 F CA -1.010 56.761 58.000 -0.381 0.000 1.124 419 F CB 1.011 39.644 39.000 -0.612 0.000 1.145 419 F HN -0.097 nan 8.300 nan 0.000 0.505 420 D N 3.232 123.456 120.400 -0.293 0.000 2.233 420 D HA 0.283 4.923 4.640 -0.000 0.000 0.240 420 D C -0.795 175.313 176.300 -0.319 0.000 1.074 420 D CA -0.039 53.831 54.000 -0.216 0.000 0.838 420 D CB 1.346 42.109 40.800 -0.060 0.000 1.124 420 D HN 0.189 nan 8.370 nan 0.000 0.475 421 F N 1.614 121.640 119.950 0.127 0.000 2.443 421 F HA 0.470 4.997 4.527 -0.000 0.000 0.335 421 F C 0.277 176.148 175.800 0.119 0.000 1.104 421 F CA -1.007 57.067 58.000 0.122 0.000 1.013 421 F CB 1.252 40.313 39.000 0.102 0.000 1.136 421 F HN 0.045 nan 8.300 nan 0.000 0.470 422 I N 2.867 123.632 120.570 0.325 0.000 2.436 422 I HA 0.659 4.829 4.170 -0.000 0.000 0.289 422 I C -0.429 175.912 176.117 0.373 0.000 1.010 422 I CA -0.438 61.043 61.300 0.303 0.000 1.098 422 I CB 1.817 39.963 38.000 0.243 0.000 1.266 422 I HN 0.654 nan 8.210 nan 0.000 0.434 423 A N 3.600 126.602 122.820 0.304 0.000 2.365 423 A HA 0.720 5.040 4.320 -0.000 0.000 0.318 423 A C -1.265 176.399 177.584 0.135 0.000 1.091 423 A CA -0.503 51.652 52.037 0.198 0.000 0.763 423 A CB 1.247 20.328 19.000 0.134 0.000 1.248 423 A HN 0.602 nan 8.150 nan 0.000 0.442 424 D N 2.021 122.361 120.400 -0.100 0.000 2.460 424 D HA 0.446 5.086 4.640 -0.000 0.000 0.232 424 D C 0.788 177.069 176.300 -0.032 0.000 1.079 424 D CA 0.210 54.110 54.000 -0.167 0.000 0.864 424 D CB 1.013 41.392 40.800 -0.702 0.000 1.048 424 D HN 0.537 nan 8.370 nan 0.000 0.523 425 G N 1.957 110.806 108.800 0.082 0.000 3.337 425 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.246 425 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.246 425 G C 1.314 176.285 174.900 0.119 0.000 1.131 425 G CA 0.421 45.603 45.100 0.136 0.000 0.773 425 G HN 0.519 nan 8.290 nan 0.000 0.544 426 T N -0.645 114.005 114.554 0.160 0.000 2.951 426 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 426 T C 1.566 176.441 174.700 0.292 0.000 1.073 426 T CA 0.516 62.789 62.100 0.288 0.000 1.134 426 T CB -0.339 68.724 68.868 0.325 0.000 0.884 426 T HN 0.621 nan 8.240 nan 0.000 0.479 427 I N 1.814 122.494 120.570 0.182 0.000 6.679 427 I HA -0.277 3.893 4.170 -0.000 0.000 0.126 427 I C 0.298 176.512 176.117 0.162 0.000 1.811 427 I CA 0.873 62.276 61.300 0.172 0.000 2.117 427 I CB -2.358 35.773 38.000 0.218 0.000 3.492 427 I HN 0.532 nan 8.210 nan 0.000 0.193 428 E N -0.760 119.507 120.200 0.112 0.000 2.805 428 E HA -0.293 4.057 4.350 -0.000 0.000 0.266 428 E C 1.144 177.778 176.600 0.057 0.000 1.092 428 E CA 0.834 57.270 56.400 0.060 0.000 0.781 428 E CB -1.640 28.082 29.700 0.036 0.000 1.379 428 E HN 1.252 nan 8.360 nan 0.000 0.433 429 G N 0.553 109.434 108.800 0.136 0.000 2.273 429 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.280 429 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.280 429 G C -0.042 174.869 174.900 0.019 0.000 1.047 429 G CA 0.652 45.752 45.100 0.000 0.000 0.869 429 G HN 0.070 nan 8.290 nan 0.000 0.502 430 K N -0.138 120.381 120.400 0.198 0.000 2.183 430 K HA 0.573 4.893 4.320 -0.000 0.000 0.274 430 K C 0.018 176.810 176.600 0.320 0.000 1.009 430 K CA -0.537 55.838 56.287 0.148 0.000 0.888 430 K CB 1.337 33.904 32.500 0.111 0.000 1.078 430 K HN 0.610 nan 8.250 nan 0.000 0.459 431 Y N -1.581 118.813 120.300 0.156 0.000 2.581 431 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 431 Y C -0.435 175.521 175.900 0.092 0.000 1.036 431 Y CA -1.079 57.118 58.100 0.161 0.000 1.042 431 Y CB 1.659 40.234 38.460 0.192 0.000 1.289 431 Y HN 0.541 nan 8.280 nan 0.000 0.471 432 S N 1.672 117.532 115.700 0.265 0.000 2.596 432 S HA 0.670 5.140 4.470 -0.000 0.000 0.270 432 S C -1.677 173.027 174.600 0.173 0.000 1.155 432 S CA -1.171 57.124 58.200 0.159 0.000 0.827 432 S CB 1.159 64.406 63.200 0.080 0.000 1.130 432 S HN 0.882 nan 8.310 nan 0.000 0.467 433 L N 2.532 123.833 121.223 0.131 0.000 2.349 433 L HA 0.401 4.741 4.340 -0.000 0.000 0.275 433 L C 1.152 178.073 176.870 0.085 0.000 1.115 433 L CA 0.144 55.048 54.840 0.107 0.000 0.820 433 L CB 0.884 43.002 42.059 0.099 0.000 1.135 433 L HN 1.185 nan 8.230 nan 0.000 0.445 434 S N -0.284 115.459 115.700 0.072 0.000 2.194 434 S HA -0.392 4.078 4.470 -0.000 0.000 0.225 434 S C 1.764 176.398 174.600 0.056 0.000 1.176 434 S CA 1.785 60.020 58.200 0.059 0.000 1.694 434 S CB -1.398 61.842 63.200 0.068 0.000 2.249 434 S HN 0.823 nan 8.310 nan 0.000 0.601 435 K N 1.266 121.705 120.400 0.065 0.000 2.009 435 K HA 0.210 4.530 4.320 -0.000 0.000 0.210 435 K C 2.546 179.182 176.600 0.059 0.000 1.049 435 K CA 2.259 58.582 56.287 0.060 0.000 0.929 435 K CB -1.591 30.946 32.500 0.062 0.000 0.714 435 K HN 1.117 nan 8.250 nan 0.000 0.440 436 G N -0.094 108.748 108.800 0.071 0.000 2.719 436 G HA2 0.229 4.189 3.960 -0.000 0.000 0.211 436 G HA3 0.229 4.189 3.960 -0.000 0.000 0.211 436 G C 1.005 175.969 174.900 0.107 0.000 1.140 436 G CA 1.222 46.377 45.100 0.091 0.000 0.790 436 G HN 0.776 nan 8.290 nan 0.000 0.529 441 S N 1.534 117.092 115.700 -0.237 0.000 2.686 441 S HA 0.586 5.056 4.470 -0.000 0.000 0.270 441 S C 1.673 175.839 174.600 -0.724 0.000 1.194 441 S CA -0.584 57.332 58.200 -0.473 0.000 0.990 441 S CB 0.804 63.837 63.200 -0.278 0.000 1.029 441 S HN 0.315 nan 8.310 nan 0.000 0.560 442 V N 1.767 121.170 119.914 -0.851 0.000 2.380 442 V HA -0.164 3.956 4.120 -0.000 0.000 0.251 442 V C 2.618 178.536 176.094 -0.293 0.000 1.063 442 V CA 2.321 64.261 62.300 -0.599 0.000 1.055 442 V CB -1.037 30.588 31.823 -0.331 0.000 0.657 442 V HN 0.838 nan 8.190 nan 0.000 0.455 443 E N 0.792 120.852 120.200 -0.234 0.000 2.208 443 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 443 E C 1.129 177.666 176.600 -0.104 0.000 0.988 443 E CA 1.404 57.721 56.400 -0.137 0.000 0.828 443 E CB -0.283 29.350 29.700 -0.113 0.000 0.763 443 E HN 0.932 nan 8.360 nan 0.000 0.478 444 D N 0.314 120.644 120.400 -0.117 0.000 2.571 444 D HA 0.114 4.754 4.640 -0.000 0.000 0.239 444 D C 0.906 177.175 176.300 -0.050 0.000 1.267 444 D CA -0.373 53.584 54.000 -0.070 0.000 0.823 444 D CB -0.634 40.129 40.800 -0.062 0.000 1.056 444 D HN 0.186 nan 8.370 nan 0.000 0.494 445 I N -2.418 118.120 120.570 -0.053 0.000 2.662 445 I HA 0.456 4.625 4.170 -0.000 0.000 0.291 445 I C -2.125 173.975 176.117 -0.028 0.000 1.046 445 I CA -2.259 59.026 61.300 -0.027 0.000 1.361 445 I CB 0.354 38.361 38.000 0.012 0.000 1.429 445 I HN -0.299 nan 8.210 nan 0.000 0.558 446 P HA 0.025 nan 4.420 nan 0.000 0.264 446 P C -0.882 176.412 177.300 -0.011 0.000 1.193 446 P CA -0.145 62.924 63.100 -0.053 0.000 0.763 446 P CB 0.615 32.187 31.700 -0.214 0.000 0.810 447 C N 4.901 124.271 119.300 0.116 0.000 2.607 447 C HA 0.554 5.014 4.460 -0.000 0.000 0.350 447 C C -0.177 174.964 174.990 0.253 0.000 1.101 447 C CA -0.357 58.775 59.018 0.189 0.000 1.282 447 C CB 0.451 28.269 27.740 0.129 0.000 1.825 447 C HN 0.568 nan 8.230 nan 0.000 0.460 448 V N 3.724 123.823 119.914 0.308 0.000 3.177 448 V HA 1.054 5.174 4.120 -0.000 0.000 0.319 448 V C 0.035 176.296 176.094 0.278 0.000 1.125 448 V CA -0.060 62.380 62.300 0.232 0.000 1.029 448 V CB 1.571 33.483 31.823 0.148 0.000 1.119 448 V HN 1.522 nan 8.190 nan 0.000 0.452 449 A N 1.158 124.104 122.820 0.210 0.000 2.469 449 A HA 0.963 5.283 4.320 -0.000 0.000 0.299 449 A C -0.817 176.805 177.584 0.063 0.000 1.098 449 A CA -0.604 51.529 52.037 0.160 0.000 0.737 449 A CB 1.959 21.125 19.000 0.275 0.000 1.312 449 A HN 1.387 nan 8.150 nan 0.000 0.414 468 L N 3.253 124.016 121.223 -0.766 0.000 2.141 468 L HA 0.221 4.560 4.340 -0.000 0.000 0.209 468 L C 2.023 178.671 176.870 -0.371 0.000 1.094 468 L CA 2.526 56.854 54.840 -0.854 0.000 0.763 468 L CB -1.066 40.456 42.059 -0.895 0.000 0.908 468 L HN 0.389 nan 8.230 nan 0.000 0.437 469 G N -1.239 107.395 108.800 -0.277 0.000 2.446 469 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 469 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 469 G C 1.512 176.319 174.900 -0.156 0.000 1.168 469 G CA 0.964 45.946 45.100 -0.197 0.000 0.771 469 G HN 0.515 nan 8.290 nan 0.000 0.551 470 S N 0.299 115.926 115.700 -0.120 0.000 2.383 470 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 470 S C 2.454 177.021 174.600 -0.056 0.000 1.026 470 S CA 1.596 59.763 58.200 -0.054 0.000 0.981 470 S CB -0.477 62.764 63.200 0.069 0.000 0.818 470 S HN 0.425 nan 8.310 nan 0.000 0.472 471 T N 3.127 117.634 114.554 -0.079 0.000 2.643 471 T HA 0.005 4.355 4.350 -0.000 0.000 0.264 471 T C 1.771 176.449 174.700 -0.036 0.000 1.045 471 T CA 1.269 63.346 62.100 -0.038 0.000 1.155 471 T CB -0.526 68.333 68.868 -0.016 0.000 0.863 471 T HN 0.303 nan 8.240 nan 0.000 0.420 472 I N 1.445 121.975 120.570 -0.066 0.000 2.194 472 I HA -0.249 3.921 4.170 -0.000 0.000 0.246 472 I C 2.897 178.995 176.117 -0.031 0.000 1.093 472 I CA 1.227 62.502 61.300 -0.042 0.000 1.355 472 I CB -0.520 37.444 38.000 -0.059 0.000 1.046 472 I HN 0.214 nan 8.210 nan 0.000 0.413 473 A N -0.274 122.512 122.820 -0.057 0.000 1.933 473 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 473 A C 2.399 179.971 177.584 -0.020 0.000 1.175 473 A CA 1.857 53.859 52.037 -0.057 0.000 0.628 473 A CB -1.072 17.855 19.000 -0.122 0.000 0.814 473 A HN 0.559 nan 8.150 nan 0.000 0.444 474 C N -0.986 118.308 119.300 -0.010 0.000 2.467 474 C HA 0.001 4.461 4.460 -0.000 0.000 0.279 474 C C 2.846 177.845 174.990 0.015 0.000 1.347 474 C CA 0.943 59.967 59.018 0.010 0.000 1.748 474 C CB -0.864 26.886 27.740 0.015 0.000 1.977 474 C HN 0.567 nan 8.230 nan 0.000 0.501 475 M N 0.792 120.402 119.600 0.016 0.000 2.099 475 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 475 M C 1.994 178.313 176.300 0.032 0.000 1.067 475 M CA 1.733 57.048 55.300 0.025 0.000 1.124 475 M CB -1.269 31.349 32.600 0.031 0.000 1.353 475 M HN 0.337 nan 8.290 nan 0.000 0.410 476 I N -0.173 120.418 120.570 0.036 0.000 2.315 476 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 476 I C 2.564 178.721 176.117 0.067 0.000 1.117 476 I CA 1.240 62.571 61.300 0.052 0.000 1.404 476 I CB -1.094 36.939 38.000 0.054 0.000 1.071 476 I HN 0.328 nan 8.210 nan 0.000 0.419 477 G N 0.742 109.578 108.800 0.061 0.000 2.442 477 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.219 477 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.219 477 G C 1.667 176.631 174.900 0.107 0.000 1.141 477 G CA 0.860 46.016 45.100 0.093 0.000 0.763 477 G HN 0.512 nan 8.290 nan 0.000 0.554 478 G N -0.693 108.124 108.800 0.029 0.000 2.623 478 G HA2 0.086 4.046 3.960 -0.000 0.000 0.214 478 G HA3 0.086 4.046 3.960 -0.000 0.000 0.214 478 G C 0.840 175.727 174.900 -0.022 0.000 1.138 478 G CA -0.119 44.941 45.100 -0.068 0.000 0.794 478 G HN 0.298 nan 8.290 nan 0.000 0.535 479 Q N 1.141 120.979 119.800 0.064 0.000 2.337 479 Q HA 0.242 4.582 4.340 -0.000 0.000 0.270 479 Q C -2.180 173.901 176.000 0.136 0.000 1.002 479 Q CA -1.376 54.473 55.803 0.078 0.000 0.888 479 Q CB 1.159 29.938 28.738 0.068 0.000 1.222 479 Q HN 0.195 nan 8.270 nan 0.000 0.400 480 P HA 0.168 nan 4.420 nan 0.000 0.281 480 P C 0.551 177.889 177.300 0.063 0.000 1.281 480 P CA -0.469 62.705 63.100 0.123 0.000 0.811 480 P CB 0.661 32.415 31.700 0.090 0.000 1.154 481 S N -0.353 115.370 115.700 0.037 0.000 2.423 481 S HA -0.203 4.266 4.470 -0.000 0.000 0.238 481 S C 0.957 175.561 174.600 0.006 0.000 1.028 481 S CA 1.705 59.909 58.200 0.006 0.000 1.000 481 S CB -0.739 62.458 63.200 -0.005 0.000 0.797 481 S HN 0.462 nan 8.310 nan 0.000 0.487 482 E N 0.579 120.791 120.200 0.019 0.000 2.479 482 E HA 0.285 4.634 4.350 -0.000 0.000 0.193 482 E C 1.104 177.722 176.600 0.031 0.000 1.049 482 E CA 0.256 56.667 56.400 0.020 0.000 0.870 482 E CB -0.185 29.528 29.700 0.021 0.000 0.944 482 E HN 0.456 nan 8.360 nan 0.000 0.492 483 G N 1.005 109.827 108.800 0.036 0.000 2.479 483 G HA2 0.117 4.076 3.960 -0.000 0.000 0.275 483 G HA3 0.117 4.076 3.960 -0.000 0.000 0.275 483 G C -0.410 174.524 174.900 0.056 0.000 1.421 483 G CA -0.432 44.699 45.100 0.051 0.000 1.059 483 G HN 0.246 nan 8.290 nan 0.000 0.535 484 N N -1.920 116.825 118.700 0.075 0.000 2.542 484 N HA 0.210 4.950 4.740 -0.000 0.000 0.288 484 N C 0.607 176.160 175.510 0.072 0.000 1.115 484 N CA -0.648 52.441 53.050 0.065 0.000 0.924 484 N CB 1.630 40.165 38.487 0.081 0.000 1.526 484 N HN 0.286 nan 8.380 nan 0.000 0.515 485 L N 4.073 125.332 121.223 0.060 0.000 2.013 485 L HA 0.048 4.388 4.340 -0.000 0.000 0.212 485 L C 1.539 178.497 176.870 0.146 0.000 1.073 485 L CA 1.911 56.805 54.840 0.090 0.000 0.753 485 L CB -0.849 41.259 42.059 0.082 0.000 0.890 485 L HN 0.759 nan 8.230 nan 0.000 0.432 486 F N -0.176 119.757 119.950 -0.028 0.000 2.075 486 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 486 F C 2.650 178.459 175.800 0.015 0.000 1.113 486 F CA 2.036 60.017 58.000 -0.033 0.000 1.218 486 F CB -0.701 38.234 39.000 -0.108 0.000 0.984 486 F HN 0.280 nan 8.300 nan 0.000 0.472 487 H N -0.033 119.007 119.070 -0.050 0.000 2.387 487 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 487 H C 2.361 177.614 175.328 -0.126 0.000 1.099 487 H CA 1.295 57.247 56.048 -0.160 0.000 1.315 487 H CB -1.096 28.644 29.762 -0.037 0.000 1.380 487 H HN 0.374 nan 8.280 nan 0.000 0.513 488 A N 0.521 123.386 122.820 0.074 0.000 1.902 488 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 488 A C 2.858 180.450 177.584 0.013 0.000 1.181 488 A CA 1.656 53.722 52.037 0.048 0.000 0.623 488 A CB -0.815 18.220 19.000 0.058 0.000 0.818 488 A HN 0.227 nan 8.150 nan 0.000 0.443 489 V N -0.274 119.637 119.914 -0.005 0.000 2.295 489 V HA -0.237 3.882 4.120 -0.000 0.000 0.246 489 V C 2.577 178.638 176.094 -0.056 0.000 1.049 489 V CA 2.000 64.293 62.300 -0.011 0.000 1.024 489 V CB -0.909 30.934 31.823 0.033 0.000 0.648 489 V HN 0.371 nan 8.190 nan 0.000 0.447 490 V N 0.451 120.267 119.914 -0.162 0.000 2.287 490 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 490 V C 2.772 178.845 176.094 -0.035 0.000 1.053 490 V CA 2.060 64.268 62.300 -0.153 0.000 1.027 490 V CB -1.341 30.305 31.823 -0.294 0.000 0.646 490 V HN 0.558 nan 8.190 nan 0.000 0.447 491 A N 0.713 123.527 122.820 -0.010 0.000 1.884 491 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 491 A C 2.456 180.101 177.584 0.102 0.000 1.197 491 A CA 2.445 54.522 52.037 0.066 0.000 0.637 491 A CB -1.475 17.560 19.000 0.057 0.000 0.827 491 A HN 0.557 nan 8.150 nan 0.000 0.450 492 G N -0.799 108.034 108.800 0.054 0.000 2.446 492 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 492 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 492 G C 1.524 176.458 174.900 0.057 0.000 1.168 492 G CA 1.386 46.514 45.100 0.046 0.000 0.771 492 G HN 0.386 nan 8.290 nan 0.000 0.551 493 V N 1.182 121.119 119.914 0.039 0.000 2.407 493 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 493 V C 2.965 179.111 176.094 0.087 0.000 1.055 493 V CA 1.747 64.079 62.300 0.054 0.000 1.049 493 V CB -0.364 31.473 31.823 0.023 0.000 0.662 493 V HN 0.301 nan 8.190 nan 0.000 0.455 494 M N -0.910 118.747 119.600 0.096 0.000 2.059 494 M HA -0.177 4.303 4.480 -0.000 0.000 0.259 494 M C 2.313 178.657 176.300 0.074 0.000 1.072 494 M CA 1.887 57.273 55.300 0.143 0.000 1.117 494 M CB -1.032 31.721 32.600 0.255 0.000 1.320 494 M HN 0.301 nan 8.290 nan 0.000 0.408 495 L N -0.851 120.399 121.223 0.045 0.000 1.997 495 L HA -0.318 4.022 4.340 -0.000 0.000 0.216 495 L C 2.654 179.385 176.870 -0.233 0.000 1.074 495 L CA 2.046 56.707 54.840 -0.298 0.000 0.763 495 L CB -0.670 41.317 42.059 -0.120 0.000 0.890 495 L HN 0.214 nan 8.230 nan 0.000 0.434 496 Y N 0.764 120.968 120.300 -0.161 0.000 2.097 496 Y HA -0.364 4.186 4.550 -0.000 0.000 0.282 496 Y C 2.696 178.528 175.900 -0.114 0.000 1.152 496 Y CA 2.350 60.375 58.100 -0.125 0.000 1.136 496 Y CB -0.219 38.199 38.460 -0.069 0.000 0.975 496 Y HN 0.057 nan 8.280 nan 0.000 0.498 497 K N 0.324 120.731 120.400 0.011 0.000 2.063 497 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 497 K C 2.206 178.712 176.600 -0.156 0.000 1.048 497 K CA 1.443 57.695 56.287 -0.058 0.000 0.928 497 K CB -0.791 31.712 32.500 0.006 0.000 0.713 497 K HN 0.427 nan 8.250 nan 0.000 0.442 498 A N 0.478 123.177 122.820 -0.202 0.000 1.851 498 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 498 A C 2.370 179.756 177.584 -0.331 0.000 1.195 498 A CA 2.323 54.189 52.037 -0.285 0.000 0.622 498 A CB -1.286 17.388 19.000 -0.543 0.000 0.831 498 A HN 0.392 nan 8.150 nan 0.000 0.444 499 A N -0.642 121.930 122.820 -0.413 0.000 1.986 499 A HA 0.061 4.380 4.320 -0.000 0.000 0.220 499 A C 2.374 179.754 177.584 -0.339 0.000 1.171 499 A CA 2.095 53.907 52.037 -0.376 0.000 0.640 499 A CB -1.398 17.369 19.000 -0.388 0.000 0.811 499 A HN 0.793 nan 8.150 nan 0.000 0.451 500 G N -0.671 107.925 108.800 -0.340 0.000 2.433 500 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 500 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 500 G C 1.806 176.677 174.900 -0.048 0.000 1.186 500 G CA 2.322 47.310 45.100 -0.186 0.000 0.779 500 G HN 0.807 nan 8.290 nan 0.000 0.543 501 K N 0.991 121.346 120.400 -0.076 0.000 2.009 501 K HA 0.038 4.358 4.320 -0.000 0.000 0.210 501 K C 2.398 178.974 176.600 -0.039 0.000 1.049 501 K CA 1.498 57.763 56.287 -0.037 0.000 0.929 501 K CB -0.882 31.588 32.500 -0.049 0.000 0.714 501 K HN 0.416 nan 8.250 nan 0.000 0.440 502 I N 0.680 121.196 120.570 -0.090 0.000 2.151 502 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 502 I C 3.021 179.085 176.117 -0.088 0.000 1.080 502 I CA 1.497 62.742 61.300 -0.091 0.000 1.339 502 I CB -0.475 37.447 38.000 -0.130 0.000 1.039 502 I HN 0.465 nan 8.210 nan 0.000 0.409 503 A N 0.902 123.633 122.820 -0.149 0.000 1.873 503 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 503 A C 2.499 180.093 177.584 0.017 0.000 1.186 503 A CA 2.203 54.112 52.037 -0.213 0.000 0.616 503 A CB -0.972 17.643 19.000 -0.641 0.000 0.823 503 A HN 0.542 nan 8.150 nan 0.000 0.442 504 S N -0.047 115.781 115.700 0.213 0.000 2.420 504 S HA -0.230 4.240 4.470 -0.000 0.000 0.237 504 S C 1.566 176.236 174.600 0.116 0.000 1.023 504 S CA 1.716 60.087 58.200 0.285 0.000 0.991 504 S CB -0.415 62.904 63.200 0.199 0.000 0.792 504 S HN 0.685 nan 8.310 nan 0.000 0.488 505 E N 1.234 121.466 120.200 0.055 0.000 2.086 505 E HA 0.067 4.416 4.350 -0.000 0.000 0.190 505 E C 1.757 178.367 176.600 0.016 0.000 0.975 505 E CA 0.767 57.181 56.400 0.024 0.000 0.813 505 E CB 0.006 29.708 29.700 0.004 0.000 0.768 505 E HN 0.587 nan 8.360 nan 0.000 0.457 506 K N 0.507 120.909 120.400 0.003 0.000 2.505 506 K HA 0.072 4.392 4.320 -0.000 0.000 0.192 506 K C 0.422 177.023 176.600 0.002 0.000 1.025 506 K CA -0.044 56.239 56.287 -0.008 0.000 1.086 506 K CB -0.108 32.374 32.500 -0.030 0.000 0.840 506 K HN 0.199 nan 8.250 nan 0.000 0.514 507 C N -1.020 118.300 119.300 0.032 0.000 2.505 507 C HA 0.446 4.906 4.460 -0.000 0.000 0.358 507 C C 0.659 175.673 174.990 0.041 0.000 1.226 507 C CA -1.038 58.009 59.018 0.047 0.000 1.900 507 C CB 1.041 28.854 27.740 0.120 0.000 2.306 507 C HN 0.262 nan 8.230 nan 0.000 0.512 508 N N 0.425 119.145 118.700 0.034 0.000 2.200 508 N HA 0.425 5.165 4.740 -0.000 0.000 0.224 508 N C 0.434 175.954 175.510 0.017 0.000 1.179 508 N CA 0.851 53.912 53.050 0.019 0.000 0.877 508 N CB 1.267 39.759 38.487 0.007 0.000 1.072 508 N HN 1.189 nan 8.380 nan 0.000 0.519 509 G N -0.250 108.571 108.800 0.034 0.000 2.356 509 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.288 509 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.288 509 G C 0.138 175.062 174.900 0.041 0.000 1.302 509 G CA -0.290 44.820 45.100 0.016 0.000 0.887 509 G HN -0.059 nan 8.290 nan 0.000 0.521 510 S N -0.212 115.488 115.700 -0.000 0.000 2.370 510 S HA -0.080 4.390 4.470 -0.000 0.000 0.226 510 S C 2.572 177.198 174.600 0.045 0.000 1.033 510 S CA 2.538 60.737 58.200 -0.001 0.000 1.011 510 S CB -0.809 62.365 63.200 -0.044 0.000 0.852 510 S HN 1.506 nan 8.310 nan 0.000 0.457 511 G N 2.201 111.006 108.800 0.008 0.000 2.587 511 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.217 511 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.217 511 G C 1.710 176.612 174.900 0.003 0.000 1.240 511 G CA 1.659 46.752 45.100 -0.012 0.000 0.794 511 G HN 0.677 nan 8.290 nan 0.000 0.580 512 S N 0.289 116.001 115.700 0.020 0.000 2.423 512 S HA -0.080 4.389 4.470 -0.000 0.000 0.231 512 S C 2.086 176.699 174.600 0.023 0.000 1.014 512 S CA 1.304 59.510 58.200 0.009 0.000 0.965 512 S CB -0.510 62.695 63.200 0.007 0.000 0.785 512 S HN 0.364 nan 8.310 nan 0.000 0.495 513 F N 2.384 122.302 119.950 -0.054 0.000 2.091 513 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 513 F C 2.689 178.465 175.800 -0.041 0.000 1.103 513 F CA 2.078 60.050 58.000 -0.047 0.000 1.228 513 F CB -0.605 38.367 39.000 -0.048 0.000 0.984 513 F HN 0.237 nan 8.300 nan 0.000 0.477 514 Q N -0.222 119.601 119.800 0.037 0.000 2.030 514 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 514 Q C 2.423 178.371 176.000 -0.087 0.000 0.986 514 Q CA 2.477 58.227 55.803 -0.088 0.000 0.843 514 Q CB -0.480 28.097 28.738 -0.268 0.000 0.904 514 Q HN 0.485 nan 8.270 nan 0.000 0.420 515 V N -0.088 119.776 119.914 -0.083 0.000 2.548 515 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 515 V C 1.711 177.750 176.094 -0.092 0.000 1.055 515 V CA 1.721 63.991 62.300 -0.051 0.000 1.065 515 V CB -0.272 31.523 31.823 -0.045 0.000 0.681 515 V HN 0.325 nan 8.190 nan 0.000 0.462 516 E N 0.231 120.339 120.200 -0.154 0.000 2.204 516 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 516 E C 2.059 178.505 176.600 -0.256 0.000 0.989 516 E CA 1.526 57.816 56.400 -0.183 0.000 0.824 516 E CB -0.258 29.331 29.700 -0.184 0.000 0.756 516 E HN 0.699 nan 8.360 nan 0.000 0.477 517 L N 0.371 121.367 121.223 -0.378 0.000 2.027 517 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 517 L C 2.319 179.084 176.870 -0.175 0.000 1.074 517 L CA 0.920 55.529 54.840 -0.384 0.000 0.745 517 L CB -0.150 41.631 42.059 -0.463 0.000 0.898 517 L HN 0.062 nan 8.230 nan 0.000 0.433 518 I N 0.040 120.576 120.570 -0.057 0.000 2.163 518 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 518 I C 2.098 178.206 176.117 -0.015 0.000 1.085 518 I CA 1.437 62.732 61.300 -0.007 0.000 1.347 518 I CB -0.469 37.564 38.000 0.055 0.000 1.044 518 I HN 0.320 nan 8.210 nan 0.000 0.408 519 D N 0.897 121.274 120.400 -0.039 0.000 2.104 519 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 519 D C 2.270 178.577 176.300 0.012 0.000 0.994 519 D CA 1.726 55.721 54.000 -0.009 0.000 0.830 519 D CB -0.253 40.523 40.800 -0.041 0.000 0.959 519 D HN 0.359 nan 8.370 nan 0.000 0.452 520 A N 0.569 123.343 122.820 -0.076 0.000 1.908 520 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 520 A C 2.445 179.954 177.584 -0.126 0.000 1.181 520 A CA 0.998 52.964 52.037 -0.118 0.000 0.627 520 A CB -0.840 18.043 19.000 -0.195 0.000 0.818 520 A HN 0.243 nan 8.150 nan 0.000 0.445 521 L N -2.210 118.945 121.223 -0.113 0.000 2.042 521 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 521 L C 2.594 179.449 176.870 -0.026 0.000 1.076 521 L CA 1.939 56.719 54.840 -0.099 0.000 0.749 521 L CB -0.525 41.499 42.059 -0.058 0.000 0.893 521 L HN 0.640 nan 8.230 nan 0.000 0.432 522 Y N 0.623 120.874 120.300 -0.081 0.000 2.163 522 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 522 Y C 2.781 178.657 175.900 -0.039 0.000 1.136 522 Y CA 1.442 59.512 58.100 -0.049 0.000 1.147 522 Y CB -0.110 38.326 38.460 -0.040 0.000 0.987 522 Y HN -0.051 nan 8.280 nan 0.000 0.509 523 R N -0.612 119.897 120.500 0.016 0.000 2.073 523 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 523 R C 2.075 178.317 176.300 -0.097 0.000 1.134 523 R CA 1.499 57.565 56.100 -0.057 0.000 0.952 523 R CB -0.688 29.624 30.300 0.021 0.000 0.850 523 R HN 0.289 nan 8.270 nan 0.000 0.433 524 L N 0.643 121.808 121.223 -0.097 0.000 2.043 524 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 524 L C 2.501 179.395 176.870 0.040 0.000 1.075 524 L CA 2.244 57.041 54.840 -0.072 0.000 0.752 524 L CB -0.987 40.874 42.059 -0.330 0.000 0.891 524 L HN 0.391 nan 8.230 nan 0.000 0.432 525 T N -5.524 109.000 114.554 -0.050 0.000 3.067 525 T HA -0.029 4.320 4.350 -0.000 0.000 0.257 525 T C 1.976 176.626 174.700 -0.084 0.000 1.105 525 T CA 0.073 62.165 62.100 -0.013 0.000 1.104 525 T CB -0.028 68.814 68.868 -0.043 0.000 0.925 525 T HN -0.023 nan 8.240 nan 0.000 0.498 526 R N 2.412 122.793 120.500 -0.198 0.000 2.236 526 R HA 0.154 4.494 4.340 -0.000 0.000 0.208 526 R C 0.609 176.853 176.300 -0.093 0.000 1.036 526 R CA 0.541 56.514 56.100 -0.212 0.000 1.001 526 R CB -0.229 29.841 30.300 -0.384 0.000 0.896 526 R HN 0.842 nan 8.270 nan 0.000 0.464 527 E N -0.203 119.975 120.200 -0.037 0.000 2.255 527 E HA 0.261 4.611 4.350 -0.000 0.000 0.245 527 E C -1.092 175.542 176.600 0.057 0.000 0.909 527 E CA -0.659 55.745 56.400 0.007 0.000 0.747 527 E CB 0.531 30.242 29.700 0.018 0.000 1.215 527 E HN -0.204 nan 8.360 nan 0.000 0.424 528 N N 2.625 121.339 118.700 0.023 0.000 2.454 528 N HA 0.020 4.760 4.740 -0.000 0.000 0.285 528 N C -0.685 174.787 175.510 -0.063 0.000 1.233 528 N CA 0.309 53.364 53.050 0.010 0.000 1.036 528 N CB 0.628 39.097 38.487 -0.030 0.000 1.423 528 N HN 0.630 nan 8.380 nan 0.000 0.495 529 T N -1.580 112.930 114.554 -0.073 0.000 3.732 529 T HA 0.313 4.663 4.350 -0.000 0.000 0.234 529 T C -2.124 172.306 174.700 -0.450 0.000 1.146 529 T CA -1.540 60.457 62.100 -0.171 0.000 1.454 529 T CB 1.181 70.017 68.868 -0.053 0.000 0.910 529 T HN 0.001 nan 8.240 nan 0.000 0.640 530 P HA -0.004 nan 4.420 nan 0.000 0.218 530 P C 2.101 178.951 177.300 -0.750 0.000 1.146 530 P CA 1.037 63.219 63.100 -1.530 0.000 0.813 530 P CB -0.180 30.782 31.700 -1.230 0.000 0.778 531 V N -0.760 118.908 119.914 -0.410 0.000 2.453 531 V HA -0.327 3.793 4.120 -0.000 0.000 0.252 531 V C 2.343 178.357 176.094 -0.134 0.000 1.068 531 V CA 3.002 65.173 62.300 -0.215 0.000 1.070 531 V CB -1.869 29.867 31.823 -0.145 0.000 0.664 531 V HN 0.131 nan 8.190 nan 0.000 0.461 532 T N -0.878 113.603 114.554 -0.122 0.000 2.821 532 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 532 T C 0.525 175.327 174.700 0.170 0.000 1.046 532 T CA 0.660 62.782 62.100 0.036 0.000 1.139 532 T CB -0.306 68.632 68.868 0.116 0.000 0.871 532 T HN 0.714 nan 8.240 nan 0.000 0.454 533 W N 1.223 122.503 121.300 -0.033 0.000 2.223 533 W HA 0.517 5.177 4.660 -0.000 0.000 0.334 533 W C 1.546 178.044 176.519 -0.035 0.000 1.334 533 W CA -1.577 55.746 57.345 -0.036 0.000 1.246 533 W CB -0.524 28.913 29.460 -0.039 0.000 1.184 533 W HN 0.161 nan 8.180 nan 0.000 0.563 534 A N 4.894 127.824 122.820 0.182 0.000 1.892 534 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 534 A C -0.799 176.823 177.584 0.064 0.000 1.188 534 A CA 0.996 53.081 52.037 0.081 0.000 0.631 534 A CB -2.340 16.675 19.000 0.024 0.000 0.822 534 A HN 0.479 nan 8.150 nan 0.000 0.447 535 P HA 0.247 nan 4.420 nan 0.000 0.271 535 P C -0.969 176.355 177.300 0.040 0.000 1.216 535 P CA 0.162 63.284 63.100 0.036 0.000 0.771 535 P CB 0.696 32.426 31.700 0.050 0.000 0.864 536 K N 2.124 122.527 120.400 0.005 0.000 2.183 536 K HA 0.425 4.745 4.320 -0.000 0.000 0.274 536 K C -0.423 176.187 176.600 0.018 0.000 1.009 536 K CA -0.910 55.386 56.287 0.014 0.000 0.888 536 K CB 1.067 33.575 32.500 0.012 0.000 1.078 536 K HN 0.307 nan 8.250 nan 0.000 0.459 537 L N 3.406 124.643 121.223 0.023 0.000 2.294 537 L HA 0.301 4.641 4.340 -0.000 0.000 0.283 537 L C -0.249 176.638 176.870 0.028 0.000 1.015 537 L CA 0.155 55.007 54.840 0.019 0.000 0.831 537 L CB 1.041 43.099 42.059 -0.002 0.000 1.217 537 L HN 0.796 nan 8.230 nan 0.000 0.420 538 T N 0.574 115.164 114.554 0.059 0.000 2.919 538 T HA 0.527 4.877 4.350 -0.000 0.000 0.282 538 T C 0.116 174.851 174.700 0.059 0.000 1.020 538 T CA -0.674 61.482 62.100 0.092 0.000 0.994 538 T CB 0.863 69.824 68.868 0.155 0.000 1.180 538 T HN 0.501 nan 8.240 nan 0.000 0.566 539 H N 0.073 119.220 119.070 0.130 0.000 2.505 539 H HA 0.579 5.135 4.556 -0.000 0.000 0.355 539 H C 0.940 176.356 175.328 0.147 0.000 1.179 539 H CA 0.127 56.257 56.048 0.137 0.000 1.343 539 H CB 1.294 31.119 29.762 0.105 0.000 1.501 539 H HN 1.088 nan 8.280 nan 0.000 0.569 540 T N 0.000 114.721 114.554 0.279 0.000 3.816 540 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 540 T CA 0.000 62.223 62.100 0.205 0.000 1.349 540 T CB 0.000 68.987 68.868 0.199 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658