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 1qni_1_C DATA FIRST_RESID 10 DATA SEQUENCE AHVAPGELDE YYGFWSGGHQ GEVRVLGVPS MRELMRIPVF NVDSATGWGI DATA SEQUENCE TNESKEILGG DQQYLNGDCH HPHISMTDGR YDGKYLFIND KANTRVARIR DATA SEQUENCE LDIMKTDKIT HIPNVQAIHG LRLQKVPKTN YVFCNAEFVI PQPNDGTDFS DATA SEQUENCE LDNSYTMFTA IDAETMDVAW QVIVDGNLDN TDADYTGKYA TSTCYNSERA DATA SEQUENCE VDLAGTMRND RDWVVVFNVE RIAAAVKAGN FKTIGDSKVP VVDGRGESEF DATA SEQUENCE TRYIPVPKNP HGLNTSPDGK YFIANGKLSP TVSVIAIDKL DDLFEDKIEL DATA SEQUENCE RDTIVAEPEL GLGPLHTTFD GRGNAYTTLF IDSQVCKWNI ADAIKHYNGD DATA SEQUENCE RVNYIRQKLD VQYQPGHNHA SLTESRDADG KWLVVLSKFS KDRFLPVGPL DATA SEQUENCE HPENDQLIDI SGEEMKLVHD GPTYAEPHDC ILVRRDQIKT KKIYERNDPY DATA SEQUENCE FASCRAQAEK DGVTLESDNK VIRDGNKVRV YMTSVAPQYG MTDFKVKEGD DATA SEQUENCE EVTVYITNLD MVEDVTHGFC MVNHGVSMEI SPQQTASVTF TAGKPGVYWY DATA SEQUENCE YCNWFCHALH MEMVGRMLVE AA 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.378 177.584 -0.344 0.000 1.274 10 A CA 0.000 51.905 52.037 -0.220 0.000 0.836 10 A CB 0.000 18.819 19.000 -0.301 0.000 0.831 11 H N -0.166 118.939 119.070 0.058 0.000 2.679 11 H HA 0.623 5.179 4.556 -0.000 0.000 0.360 11 H C -1.245 174.086 175.328 0.005 0.000 1.105 11 H CA -0.815 55.243 56.048 0.016 0.000 1.196 11 H CB 1.612 31.393 29.762 0.032 0.000 1.636 11 H HN 0.031 nan 8.280 nan 0.000 0.531 12 V N 2.024 121.987 119.914 0.082 0.000 2.357 12 V HA 0.527 4.647 4.120 -0.001 0.000 0.284 12 V C 0.674 176.787 176.094 0.030 0.000 1.018 12 V CA -0.738 61.580 62.300 0.029 0.000 0.841 12 V CB 0.884 32.696 31.823 -0.019 0.000 0.991 12 V HN 0.966 nan 8.190 nan 0.000 0.437 13 A N 6.974 129.813 122.820 0.032 0.000 2.271 13 A HA 0.813 5.132 4.320 -0.001 0.000 0.288 13 A C -2.515 175.072 177.584 0.005 0.000 1.094 13 A CA -1.823 50.227 52.037 0.021 0.000 0.828 13 A CB 0.135 19.151 19.000 0.028 0.000 1.091 13 A HN 0.666 nan 8.150 nan 0.000 0.493 14 P HA 0.215 nan 4.420 nan 0.000 0.258 14 P C 0.969 178.266 177.300 -0.005 0.000 1.172 14 P CA 2.176 65.273 63.100 -0.006 0.000 0.762 14 P CB 0.415 32.111 31.700 -0.006 0.000 0.764 15 G N 2.350 111.144 108.800 -0.009 0.000 2.279 15 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.223 15 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.223 15 G C 0.066 174.959 174.900 -0.010 0.000 1.015 15 G CA -0.365 44.730 45.100 -0.008 0.000 0.621 15 G HN 0.540 nan 8.290 nan 0.000 0.506 16 E N 0.352 120.546 120.200 -0.010 0.000 2.318 16 E HA 0.685 5.034 4.350 -0.001 0.000 0.265 16 E C 0.028 176.612 176.600 -0.026 0.000 1.069 16 E CA -0.439 55.953 56.400 -0.013 0.000 0.893 16 E CB 1.408 31.105 29.700 -0.004 0.000 1.076 16 E HN 0.337 nan 8.360 nan 0.000 0.414 17 L N 1.348 122.550 121.223 -0.036 0.000 2.319 17 L HA 0.343 4.683 4.340 -0.001 0.000 0.267 17 L C -0.194 176.631 176.870 -0.075 0.000 1.011 17 L CA -0.943 53.861 54.840 -0.060 0.000 0.818 17 L CB 1.597 43.615 42.059 -0.068 0.000 1.316 17 L HN 0.474 nan 8.230 nan 0.000 0.432 18 D N -0.216 120.117 120.400 -0.112 0.000 2.369 18 D HA 0.054 4.694 4.640 -0.001 0.000 0.241 18 D C 0.549 176.774 176.300 -0.125 0.000 1.271 18 D CA -0.039 53.892 54.000 -0.115 0.000 0.942 18 D CB 1.069 41.773 40.800 -0.159 0.000 1.129 18 D HN 0.519 nan 8.370 nan 0.000 0.476 19 E N -1.128 119.042 120.200 -0.050 0.000 2.330 19 E HA 0.050 4.399 4.350 -0.001 0.000 0.200 19 E C -0.369 176.092 176.600 -0.232 0.000 0.922 19 E CA 0.216 56.554 56.400 -0.102 0.000 0.935 19 E CB 0.483 30.203 29.700 0.034 0.000 0.917 19 E HN 0.371 nan 8.360 nan 0.000 0.491 20 Y N -1.063 119.160 120.300 -0.129 0.000 2.562 20 Y HA 0.373 4.922 4.550 -0.001 0.000 0.343 20 Y C -0.704 175.064 175.900 -0.220 0.000 1.025 20 Y CA -1.217 56.825 58.100 -0.096 0.000 1.082 20 Y CB 0.778 39.265 38.460 0.046 0.000 1.264 20 Y HN -0.138 nan 8.280 nan 0.000 0.478 21 Y N 0.255 120.588 120.300 0.055 0.000 2.323 21 Y HA 0.573 5.122 4.550 -0.000 0.000 0.331 21 Y C 0.608 176.345 175.900 -0.273 0.000 1.092 21 Y CA -1.021 56.944 58.100 -0.224 0.000 1.150 21 Y CB 1.607 39.825 38.460 -0.404 0.000 1.200 21 Y HN 0.702 nan 8.280 nan 0.000 0.472 22 G N 3.573 112.307 108.800 -0.111 0.000 2.468 22 G HA2 0.473 4.433 3.960 -0.001 0.000 0.315 22 G HA3 0.473 4.433 3.960 -0.001 0.000 0.315 22 G C -1.518 173.433 174.900 0.084 0.000 1.203 22 G CA -0.368 44.828 45.100 0.159 0.000 0.962 22 G HN 0.362 nan 8.290 nan 0.000 0.476 23 F N 2.510 122.640 119.950 0.299 0.000 2.303 23 F HA 0.360 4.887 4.527 -0.000 0.000 0.368 23 F C 0.401 176.293 175.800 0.153 0.000 1.105 23 F CA -1.464 56.637 58.000 0.168 0.000 1.153 23 F CB 0.700 39.694 39.000 -0.010 0.000 1.362 23 F HN 0.360 nan 8.300 nan 0.000 0.511 24 W N 2.856 124.193 121.300 0.062 0.000 2.315 24 W HA 0.301 4.961 4.660 -0.001 0.000 0.316 24 W C 0.410 176.929 176.519 -0.001 0.000 1.211 24 W CA -0.734 56.611 57.345 0.001 0.000 1.201 24 W CB 1.979 31.435 29.460 -0.007 0.000 1.184 24 W HN 0.385 nan 8.180 nan 0.000 0.544 25 S N 1.250 116.999 115.700 0.083 0.000 2.603 25 S HA 0.366 4.836 4.470 -0.001 0.000 0.268 25 S C 0.738 175.427 174.600 0.149 0.000 1.317 25 S CA -0.186 58.053 58.200 0.065 0.000 1.012 25 S CB 1.697 64.888 63.200 -0.014 0.000 0.926 25 S HN 0.612 nan 8.310 nan 0.000 0.539 26 G N -0.562 108.320 108.800 0.137 0.000 3.126 26 G HA2 0.517 4.477 3.960 -0.001 0.000 0.224 26 G HA3 0.517 4.477 3.960 -0.001 0.000 0.224 26 G C 0.925 175.908 174.900 0.138 0.000 1.142 26 G CA 0.121 45.303 45.100 0.137 0.000 0.759 26 G HN 1.515 nan 8.290 nan 0.000 0.550 27 G N 1.302 110.229 108.800 0.211 0.000 2.556 27 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.283 27 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.283 27 G C 0.840 175.921 174.900 0.301 0.000 1.177 27 G CA 0.448 45.730 45.100 0.303 0.000 0.978 27 G HN 0.947 nan 8.290 nan 0.000 0.554 28 H N 1.156 120.303 119.070 0.128 0.000 2.538 28 H HA 0.318 4.873 4.556 -0.001 0.000 0.286 28 H C 1.832 177.232 175.328 0.120 0.000 1.035 28 H CA 1.031 57.151 56.048 0.121 0.000 1.169 28 H CB 0.152 29.973 29.762 0.098 0.000 1.417 28 H HN 0.502 nan 8.280 nan 0.000 0.567 29 Q N 1.310 121.093 119.800 -0.028 0.000 2.331 29 Q HA 0.035 4.374 4.340 -0.001 0.000 0.203 29 Q C 1.200 177.274 176.000 0.124 0.000 0.944 29 Q CA 1.204 57.020 55.803 0.021 0.000 0.892 29 Q CB 0.120 28.888 28.738 0.049 0.000 0.983 29 Q HN 0.736 nan 8.270 nan 0.000 0.482 30 G N 1.049 109.949 108.800 0.167 0.000 2.317 30 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.227 30 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.227 30 G C 0.259 175.243 174.900 0.140 0.000 1.042 30 G CA 0.421 45.657 45.100 0.226 0.000 0.623 30 G HN 0.547 nan 8.290 nan 0.000 0.509 31 E N 0.099 120.343 120.200 0.073 0.000 2.561 31 E HA 0.678 5.027 4.350 -0.001 0.000 0.254 31 E C -0.774 175.823 176.600 -0.004 0.000 1.213 31 E CA -0.638 55.752 56.400 -0.016 0.000 0.995 31 E CB 1.859 31.554 29.700 -0.009 0.000 1.233 31 E HN 0.408 nan 8.360 nan 0.000 0.556 32 V N 0.776 120.664 119.914 -0.043 0.000 2.531 32 V HA 0.387 4.506 4.120 -0.001 0.000 0.301 32 V C -0.535 175.593 176.094 0.057 0.000 1.034 32 V CA -0.763 61.542 62.300 0.008 0.000 0.865 32 V CB 1.552 33.332 31.823 -0.071 0.000 0.995 32 V HN 0.570 nan 8.190 nan 0.000 0.424 33 R N 3.022 123.605 120.500 0.138 0.000 2.407 33 R HA 0.715 5.055 4.340 -0.001 0.000 0.303 33 R C -1.116 175.285 176.300 0.169 0.000 0.981 33 R CA -0.636 55.532 56.100 0.113 0.000 0.905 33 R CB 2.093 32.433 30.300 0.067 0.000 1.099 33 R HN 0.494 nan 8.270 nan 0.000 0.459 34 V N 5.549 125.523 119.914 0.100 0.000 2.328 34 V HA 0.307 4.427 4.120 -0.001 0.000 0.278 34 V C -0.011 176.048 176.094 -0.057 0.000 1.021 34 V CA -0.517 61.822 62.300 0.065 0.000 0.838 34 V CB 0.735 32.623 31.823 0.109 0.000 0.999 34 V HN 0.550 nan 8.190 nan 0.000 0.447 35 L N 3.575 124.718 121.223 -0.134 0.000 2.352 35 L HA 0.788 5.128 4.340 -0.001 0.000 0.269 35 L C 0.806 177.572 176.870 -0.174 0.000 1.034 35 L CA -0.624 54.068 54.840 -0.246 0.000 0.806 35 L CB 1.573 43.290 42.059 -0.570 0.000 1.244 35 L HN 0.670 nan 8.230 nan 0.000 0.447 36 G N 0.778 109.462 108.800 -0.195 0.000 2.335 36 G HA2 0.543 4.503 3.960 -0.001 0.000 0.316 36 G HA3 0.543 4.503 3.960 -0.001 0.000 0.316 36 G C -0.762 174.014 174.900 -0.207 0.000 1.129 36 G CA -0.248 44.747 45.100 -0.176 0.000 0.899 36 G HN 0.252 nan 8.290 nan 0.000 0.448 37 V N 4.293 124.108 119.914 -0.165 0.000 2.547 37 V HA 0.416 4.536 4.120 -0.001 0.000 0.299 37 V C -1.368 174.619 176.094 -0.178 0.000 1.040 37 V CA -1.577 60.585 62.300 -0.230 0.000 0.913 37 V CB 2.537 34.235 31.823 -0.209 0.000 0.992 37 V HN 0.703 nan 8.190 nan 0.000 0.449 38 P HA 0.030 nan 4.420 nan 0.000 0.257 38 P C 1.151 178.204 177.300 -0.411 0.000 1.325 38 P CA 0.390 63.160 63.100 -0.550 0.000 0.850 38 P CB 0.419 31.680 31.700 -0.732 0.000 1.324 39 S N -0.502 115.026 115.700 -0.288 0.000 2.423 39 S HA -0.077 4.393 4.470 -0.001 0.000 0.231 39 S C 1.353 175.716 174.600 -0.395 0.000 1.014 39 S CA 0.485 58.530 58.200 -0.259 0.000 0.965 39 S CB -0.997 62.105 63.200 -0.162 0.000 0.785 39 S HN -0.038 nan 8.310 nan 0.000 0.495 40 M N -0.122 119.230 119.600 -0.414 0.000 2.751 40 M HA -0.140 4.339 4.480 -0.001 0.000 0.199 40 M C -0.316 175.772 176.300 -0.355 0.000 0.550 40 M CA 0.832 55.857 55.300 -0.458 0.000 0.640 40 M CB -2.448 29.772 32.600 -0.633 0.000 2.351 40 M HN 0.539 nan 8.290 nan 0.000 0.613 41 R N 0.659 120.996 120.500 -0.273 0.000 2.457 41 R HA 0.485 4.825 4.340 -0.001 0.000 0.284 41 R C 0.567 176.742 176.300 -0.209 0.000 1.024 41 R CA -0.614 55.367 56.100 -0.198 0.000 1.025 41 R CB 1.305 31.523 30.300 -0.137 0.000 1.063 41 R HN 0.235 nan 8.270 nan 0.000 0.493 42 E N 2.954 123.049 120.200 -0.175 0.000 2.180 42 E HA 0.041 4.390 4.350 -0.001 0.000 0.283 42 E C 0.301 176.846 176.600 -0.092 0.000 1.061 42 E CA -0.128 56.178 56.400 -0.156 0.000 0.861 42 E CB 0.614 30.231 29.700 -0.138 0.000 1.056 42 E HN 0.529 nan 8.360 nan 0.000 0.407 43 L N 3.981 125.163 121.223 -0.068 0.000 2.298 43 L HA 0.247 4.587 4.340 -0.001 0.000 0.209 43 L C 0.495 177.371 176.870 0.010 0.000 1.084 43 L CA 0.170 54.998 54.840 -0.020 0.000 0.816 43 L CB 0.169 42.232 42.059 0.007 0.000 0.967 43 L HN 0.566 nan 8.230 nan 0.000 0.460 44 M N -0.728 118.879 119.600 0.011 0.000 2.605 44 M HA 0.372 4.852 4.480 -0.001 0.000 0.281 44 M C -1.850 174.466 176.300 0.025 0.000 1.166 44 M CA -0.455 54.863 55.300 0.031 0.000 0.875 44 M CB 1.927 34.556 32.600 0.048 0.000 1.732 44 M HN -0.149 nan 8.290 nan 0.000 0.504 45 R N 3.438 123.952 120.500 0.023 0.000 2.393 45 R HA 0.715 5.055 4.340 -0.001 0.000 0.315 45 R C -1.122 175.163 176.300 -0.026 0.000 0.952 45 R CA -0.599 55.505 56.100 0.006 0.000 0.842 45 R CB 1.263 31.567 30.300 0.007 0.000 1.163 45 R HN 0.699 nan 8.270 nan 0.000 0.450 46 I N 5.405 125.931 120.570 -0.073 0.000 2.307 46 I HA 0.224 4.393 4.170 -0.001 0.000 0.287 46 I C -1.905 174.037 176.117 -0.291 0.000 1.054 46 I CA -2.241 58.947 61.300 -0.186 0.000 1.218 46 I CB 1.194 39.064 38.000 -0.216 0.000 1.398 46 I HN 0.246 nan 8.210 nan 0.000 0.475 47 P HA 0.070 nan 4.420 nan 0.000 0.271 47 P C 0.167 176.936 177.300 -0.884 0.000 1.216 47 P CA 0.121 62.955 63.100 -0.445 0.000 0.771 47 P CB 2.362 33.893 31.700 -0.281 0.000 0.864 48 V N 2.197 121.741 119.914 -0.616 0.000 3.278 48 V HA 0.109 4.229 4.120 -0.001 0.000 0.215 48 V C 1.285 177.113 176.094 -0.444 0.000 1.287 48 V CA 0.951 62.793 62.300 -0.764 0.000 1.302 48 V CB -0.629 30.636 31.823 -0.931 0.000 1.228 48 V HN 0.280 nan 8.190 nan 0.000 0.523 49 F N 1.681 121.686 119.950 0.092 0.000 2.706 49 F HA 0.339 4.865 4.527 -0.001 0.000 0.308 49 F C 0.974 176.894 175.800 0.200 0.000 1.095 49 F CA -0.967 57.132 58.000 0.166 0.000 1.244 49 F CB -0.534 38.516 39.000 0.084 0.000 1.063 49 F HN 0.347 nan 8.300 nan 0.000 0.582 50 N N -0.653 118.227 118.700 0.301 0.000 2.476 50 N HA 0.505 5.245 4.740 -0.001 0.000 0.276 50 N C -1.117 174.584 175.510 0.319 0.000 1.204 50 N CA -0.735 52.472 53.050 0.263 0.000 0.974 50 N CB 1.471 40.067 38.487 0.181 0.000 1.204 50 N HN -0.212 nan 8.380 nan 0.000 0.543 51 V N 0.692 120.755 119.914 0.249 0.000 2.328 51 V HA 0.154 4.273 4.120 -0.001 0.000 0.278 51 V C -0.618 175.597 176.094 0.202 0.000 1.021 51 V CA -0.527 61.917 62.300 0.240 0.000 0.838 51 V CB 0.459 32.379 31.823 0.162 0.000 0.999 51 V HN 0.780 nan 8.190 nan 0.000 0.447 52 D N 3.381 123.931 120.400 0.250 0.000 2.313 52 D HA 0.153 4.792 4.640 -0.001 0.000 0.239 52 D C 1.215 177.611 176.300 0.160 0.000 1.142 52 D CA 0.211 54.325 54.000 0.190 0.000 0.847 52 D CB 1.922 42.851 40.800 0.215 0.000 1.082 52 D HN 0.395 nan 8.370 nan 0.000 0.480 53 S N 2.767 118.528 115.700 0.102 0.000 2.447 53 S HA -0.082 4.388 4.470 -0.001 0.000 0.233 53 S C 1.639 176.280 174.600 0.069 0.000 1.006 53 S CA 1.197 59.440 58.200 0.071 0.000 0.957 53 S CB -0.135 63.087 63.200 0.036 0.000 0.773 53 S HN 0.578 nan 8.310 nan 0.000 0.507 54 A N 1.159 124.023 122.820 0.074 0.000 1.832 54 A HA 0.013 4.333 4.320 -0.001 0.000 0.214 54 A C 2.425 180.173 177.584 0.274 0.000 1.242 54 A CA 1.833 53.893 52.037 0.039 0.000 0.603 54 A CB -1.633 17.341 19.000 -0.044 0.000 0.902 54 A HN 0.678 nan 8.150 nan 0.000 0.455 55 T N -3.493 111.302 114.554 0.403 0.000 3.007 55 T HA 0.315 4.665 4.350 -0.001 0.000 0.270 55 T C 1.406 176.319 174.700 0.356 0.000 1.107 55 T CA 1.371 63.774 62.100 0.504 0.000 1.118 55 T CB -0.309 68.824 68.868 0.442 0.000 0.889 55 T HN 1.953 nan 8.240 nan 0.000 0.506 56 G N 0.406 109.374 108.800 0.280 0.000 2.132 56 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.234 56 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.234 56 G C -0.128 174.878 174.900 0.178 0.000 0.989 56 G CA -0.095 45.120 45.100 0.190 0.000 0.676 56 G HN 0.699 nan 8.290 nan 0.000 0.522 57 W N 0.840 122.209 121.300 0.115 0.000 2.489 57 W HA 0.387 5.047 4.660 -0.000 0.000 0.327 57 W C 1.064 177.635 176.519 0.086 0.000 1.436 57 W CA 1.180 58.587 57.345 0.103 0.000 1.315 57 W CB -0.059 29.459 29.460 0.096 0.000 1.373 57 W HN 1.266 nan 8.180 nan 0.000 0.557 58 G N 4.249 112.764 108.800 -0.475 0.000 2.218 58 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.216 58 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.216 58 G C 0.594 175.415 174.900 -0.133 0.000 0.994 58 G CA 0.321 45.271 45.100 -0.250 0.000 0.637 58 G HN 0.559 nan 8.290 nan 0.000 0.505 59 I N 1.449 121.959 120.570 -0.100 0.000 3.300 59 I HA 0.144 4.314 4.170 -0.001 0.000 0.279 59 I C 1.796 177.867 176.117 -0.077 0.000 1.172 59 I CA 0.999 62.271 61.300 -0.047 0.000 1.431 59 I CB -0.084 37.925 38.000 0.014 0.000 1.240 59 I HN 0.325 nan 8.210 nan 0.000 0.453 60 T N -1.175 113.314 114.554 -0.107 0.000 2.900 60 T HA 0.091 4.441 4.350 -0.001 0.000 0.307 60 T C 0.623 175.210 174.700 -0.187 0.000 1.065 60 T CA -0.177 61.841 62.100 -0.137 0.000 1.105 60 T CB 0.863 69.649 68.868 -0.137 0.000 0.979 60 T HN 0.128 nan 8.240 nan 0.000 0.544 61 N N 0.879 119.465 118.700 -0.190 0.000 2.223 61 N HA -0.078 4.662 4.740 -0.001 0.000 0.185 61 N C 1.717 177.127 175.510 -0.166 0.000 1.016 61 N CA 1.117 54.063 53.050 -0.173 0.000 0.863 61 N CB -0.146 38.228 38.487 -0.187 0.000 0.983 61 N HN 0.693 nan 8.380 nan 0.000 0.429 62 E N 0.324 120.411 120.200 -0.188 0.000 2.023 62 E HA -0.180 4.170 4.350 -0.001 0.000 0.196 62 E C 2.209 178.707 176.600 -0.171 0.000 1.003 62 E CA 1.656 57.961 56.400 -0.158 0.000 0.809 62 E CB -0.456 29.085 29.700 -0.265 0.000 0.755 62 E HN 0.401 nan 8.360 nan 0.000 0.449 63 S N 1.004 116.501 115.700 -0.339 0.000 2.353 63 S HA -0.241 4.228 4.470 -0.001 0.000 0.222 63 S C 1.855 176.132 174.600 -0.540 0.000 1.035 63 S CA 1.366 59.087 58.200 -0.799 0.000 1.025 63 S CB -0.412 61.917 63.200 -1.453 0.000 0.902 63 S HN 0.108 nan 8.310 nan 0.000 0.440 64 K N 1.151 121.331 120.400 -0.366 0.000 2.074 64 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 64 K C 2.435 178.970 176.600 -0.109 0.000 1.048 64 K CA 1.694 57.858 56.287 -0.204 0.000 0.926 64 K CB -0.267 32.145 32.500 -0.147 0.000 0.713 64 K HN 0.641 nan 8.250 nan 0.000 0.444 65 E N 0.955 121.097 120.200 -0.097 0.000 2.118 65 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 65 E C 1.916 178.519 176.600 0.004 0.000 0.992 65 E CA 1.036 57.415 56.400 -0.035 0.000 0.804 65 E CB 0.015 29.700 29.700 -0.026 0.000 0.741 65 E HN 0.279 nan 8.360 nan 0.000 0.458 66 I N 0.514 121.083 120.570 -0.002 0.000 2.286 66 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 66 I C 2.299 178.478 176.117 0.103 0.000 1.104 66 I CA 0.631 61.974 61.300 0.072 0.000 1.397 66 I CB -0.113 37.979 38.000 0.154 0.000 1.072 66 I HN 0.186 nan 8.210 nan 0.000 0.417 67 L N 0.430 121.690 121.223 0.060 0.000 2.083 67 L HA -0.065 4.275 4.340 -0.001 0.000 0.209 67 L C 1.746 178.742 176.870 0.209 0.000 1.083 67 L CA 1.032 55.958 54.840 0.144 0.000 0.752 67 L CB -1.168 40.938 42.059 0.079 0.000 0.899 67 L HN 0.496 nan 8.230 nan 0.000 0.433 68 G N -0.516 108.363 108.800 0.131 0.000 2.594 68 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.297 68 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.297 68 G C 0.510 175.510 174.900 0.166 0.000 1.273 68 G CA 0.008 45.190 45.100 0.136 0.000 0.974 68 G HN 1.088 nan 8.290 nan 0.000 0.552 69 G N -1.765 107.084 108.800 0.082 0.000 2.785 69 G HA2 0.278 4.238 3.960 -0.001 0.000 0.685 69 G HA3 0.278 4.238 3.960 -0.001 0.000 0.685 69 G C 0.091 174.944 174.900 -0.077 0.000 1.480 69 G CA 0.765 45.791 45.100 -0.122 0.000 0.915 69 G HN 2.304 nan 8.290 nan 0.000 0.576 70 D N -0.635 119.697 120.400 -0.113 0.000 2.358 70 D HA 0.344 4.984 4.640 -0.001 0.000 0.224 70 D C 0.663 176.897 176.300 -0.110 0.000 1.123 70 D CA 0.572 54.520 54.000 -0.086 0.000 0.833 70 D CB 0.541 41.299 40.800 -0.071 0.000 0.946 70 D HN 0.728 nan 8.370 nan 0.000 0.505 71 Q N 0.055 119.752 119.800 -0.171 0.000 2.391 71 Q HA 0.143 4.483 4.340 -0.001 0.000 0.279 71 Q C -1.686 174.065 176.000 -0.415 0.000 1.028 71 Q CA -0.846 54.777 55.803 -0.300 0.000 0.836 71 Q CB 1.795 30.293 28.738 -0.400 0.000 1.414 71 Q HN 0.147 nan 8.270 nan 0.000 0.397 72 Q N 2.499 122.101 119.800 -0.329 0.000 2.279 72 Q HA 0.267 4.607 4.340 -0.001 0.000 0.256 72 Q C -1.690 174.146 176.000 -0.273 0.000 0.937 72 Q CA -0.233 55.441 55.803 -0.216 0.000 0.933 72 Q CB 0.632 29.317 28.738 -0.088 0.000 1.189 72 Q HN 0.534 nan 8.270 nan 0.000 0.417 73 Y N 4.092 124.450 120.300 0.098 0.000 2.334 73 Y HA 0.223 4.773 4.550 -0.001 0.000 0.336 73 Y C 0.436 176.407 175.900 0.119 0.000 0.960 73 Y CA -0.656 57.507 58.100 0.105 0.000 1.164 73 Y CB 1.271 39.802 38.460 0.117 0.000 1.155 73 Y HN 0.634 nan 8.280 nan 0.000 0.478 74 L N 3.283 124.659 121.223 0.256 0.000 2.599 74 L HA 0.120 4.460 4.340 -0.001 0.000 0.230 74 L C 0.135 177.133 176.870 0.213 0.000 1.141 74 L CA 0.294 55.254 54.840 0.200 0.000 0.877 74 L CB -0.531 41.615 42.059 0.144 0.000 1.009 74 L HN 0.705 nan 8.230 nan 0.000 0.447 75 N N -1.457 117.385 118.700 0.237 0.000 2.902 75 N HA 0.761 5.501 4.740 -0.001 0.000 0.268 75 N C -0.538 175.074 175.510 0.169 0.000 1.450 75 N CA -0.615 52.554 53.050 0.198 0.000 0.819 75 N CB 2.008 40.590 38.487 0.159 0.000 1.540 75 N HN -0.142 nan 8.380 nan 0.000 0.545 76 G N -0.912 107.978 108.800 0.150 0.000 2.559 76 G HA2 0.403 4.362 3.960 -0.001 0.000 0.291 76 G HA3 0.403 4.362 3.960 -0.001 0.000 0.291 76 G C -2.241 172.719 174.900 0.101 0.000 1.424 76 G CA -0.441 44.685 45.100 0.045 0.000 0.786 76 G HN 0.671 nan 8.290 nan 0.000 0.485 77 D N -0.491 119.919 120.400 0.017 0.000 2.381 77 D HA 0.382 5.022 4.640 -0.001 0.000 0.245 77 D C 0.065 176.457 176.300 0.153 0.000 1.297 77 D CA -0.382 53.710 54.000 0.153 0.000 0.931 77 D CB 0.102 40.987 40.800 0.142 0.000 1.334 77 D HN 0.656 nan 8.370 nan 0.000 0.535 78 C N 1.866 121.321 119.300 0.260 0.000 2.347 78 C HA 0.623 5.082 4.460 -0.001 0.000 0.353 78 C C 1.261 176.378 174.990 0.212 0.000 1.273 78 C CA -0.543 58.611 59.018 0.227 0.000 1.861 78 C CB 0.179 28.086 27.740 0.279 0.000 2.420 78 C HN 0.676 nan 8.230 nan 0.000 0.542 79 H N 0.100 118.983 119.070 -0.311 0.000 2.657 79 H HA 0.139 4.694 4.556 -0.000 0.000 0.262 79 H C -0.196 174.739 175.328 -0.655 0.000 0.965 79 H CA 0.106 55.764 56.048 -0.650 0.000 1.184 79 H CB 0.364 29.390 29.762 -1.226 0.000 1.443 79 H HN 0.757 nan 8.280 nan 0.000 0.462 80 H N 1.933 120.991 119.070 -0.020 0.000 2.762 80 H HA 0.230 4.786 4.556 -0.001 0.000 0.310 80 H C -2.709 172.448 175.328 -0.284 0.000 1.004 80 H CA -2.135 53.806 56.048 -0.178 0.000 1.267 80 H CB 1.872 31.637 29.762 0.005 0.000 1.437 80 H HN 0.156 nan 8.280 nan 0.000 0.498 81 P HA 0.217 nan 4.420 nan 0.000 0.301 81 P C -0.864 176.048 177.300 -0.647 0.000 1.338 81 P CA -0.376 62.514 63.100 -0.350 0.000 0.834 81 P CB 1.729 33.293 31.700 -0.227 0.000 0.967 82 H N 2.345 121.415 119.070 0.000 0.000 2.771 82 H HA 0.398 4.953 4.556 -0.001 0.000 0.361 82 H C -0.401 174.932 175.328 0.008 0.000 1.108 82 H CA -0.747 55.305 56.048 0.006 0.000 1.201 82 H CB 2.630 32.422 29.762 0.049 0.000 1.681 82 H HN 0.415 nan 8.280 nan 0.000 0.534 83 I N 2.340 122.939 120.570 0.049 0.000 2.385 83 I HA 0.141 4.310 4.170 -0.001 0.000 0.294 83 I C 0.607 176.786 176.117 0.103 0.000 0.988 83 I CA -0.335 60.959 61.300 -0.011 0.000 1.265 83 I CB 0.748 38.629 38.000 -0.199 0.000 1.388 83 I HN 0.672 nan 8.210 nan 0.000 0.480 84 S N 7.428 123.233 115.700 0.174 0.000 2.569 84 S HA 0.310 4.780 4.470 -0.001 0.000 0.274 84 S C -0.342 174.350 174.600 0.152 0.000 1.353 84 S CA -0.297 58.014 58.200 0.185 0.000 1.023 84 S CB 0.773 64.116 63.200 0.239 0.000 0.876 84 S HN 0.659 nan 8.310 nan 0.000 0.540 85 M N 0.739 120.411 119.600 0.120 0.000 2.575 85 M HA 0.419 4.899 4.480 -0.001 0.000 0.284 85 M C -1.269 175.068 176.300 0.062 0.000 1.253 85 M CA -0.501 54.875 55.300 0.127 0.000 0.861 85 M CB 3.041 35.728 32.600 0.145 0.000 1.733 85 M HN 0.691 nan 8.290 nan 0.000 0.462 86 T N 0.703 115.290 114.554 0.056 0.000 2.906 86 T HA 0.293 4.643 4.350 -0.001 0.000 0.302 86 T C -0.818 173.899 174.700 0.028 0.000 1.002 86 T CA -0.269 61.849 62.100 0.029 0.000 0.988 86 T CB 0.688 69.569 68.868 0.023 0.000 0.972 86 T HN 0.896 nan 8.240 nan 0.000 0.447 87 D N 2.673 123.086 120.400 0.022 0.000 2.699 87 D HA -0.143 4.497 4.640 -0.001 0.000 0.239 87 D C 1.248 177.577 176.300 0.050 0.000 1.136 87 D CA 2.060 56.080 54.000 0.032 0.000 0.668 87 D CB -1.215 39.603 40.800 0.031 0.000 1.060 87 D HN 1.221 nan 8.370 nan 0.000 0.429 88 G N -0.091 108.720 108.800 0.018 0.000 2.168 88 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.263 88 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.263 88 G C 0.359 175.273 174.900 0.023 0.000 0.977 88 G CA 0.593 45.701 45.100 0.014 0.000 0.659 88 G HN 0.679 nan 8.290 nan 0.000 0.533 89 R N -0.877 119.634 120.500 0.019 0.000 2.686 89 R HA 0.492 4.832 4.340 -0.001 0.000 0.286 89 R C -0.651 175.712 176.300 0.105 0.000 0.969 89 R CA -1.079 55.010 56.100 -0.018 0.000 0.898 89 R CB 1.110 31.410 30.300 -0.001 0.000 1.183 89 R HN 0.094 nan 8.270 nan 0.000 0.456 90 Y N 2.001 122.353 120.300 0.087 0.000 2.650 90 Y HA -0.066 4.484 4.550 -0.001 0.000 0.331 90 Y C 1.222 177.159 175.900 0.062 0.000 1.165 90 Y CA -0.583 57.572 58.100 0.091 0.000 1.473 90 Y CB -0.072 38.468 38.460 0.133 0.000 1.224 90 Y HN 0.687 nan 8.280 nan 0.000 0.533 91 D N -0.528 119.988 120.400 0.193 0.000 2.360 91 D HA 0.142 4.782 4.640 -0.001 0.000 0.210 91 D C 1.608 177.935 176.300 0.044 0.000 1.047 91 D CA 0.388 54.441 54.000 0.088 0.000 0.854 91 D CB 0.097 40.918 40.800 0.036 0.000 0.936 91 D HN 0.678 nan 8.370 nan 0.000 0.514 92 G N 1.120 109.956 108.800 0.061 0.000 2.258 92 G HA2 -0.440 3.520 3.960 -0.001 0.000 0.274 92 G HA3 -0.440 3.520 3.960 -0.001 0.000 0.274 92 G C 0.866 175.706 174.900 -0.100 0.000 1.021 92 G CA 0.925 46.025 45.100 0.000 0.000 0.798 92 G HN 0.542 nan 8.290 nan 0.000 0.507 93 K N -1.588 118.715 120.400 -0.163 0.000 2.099 93 K HA 0.254 4.574 4.320 -0.001 0.000 0.203 93 K C 0.384 176.713 176.600 -0.452 0.000 1.047 93 K CA 0.663 56.719 56.287 -0.386 0.000 0.963 93 K CB 0.198 32.370 32.500 -0.547 0.000 0.759 93 K HN 0.354 nan 8.250 nan 0.000 0.451 94 Y N -0.432 119.811 120.300 -0.095 0.000 2.634 94 Y HA 0.520 5.070 4.550 -0.001 0.000 0.340 94 Y C -0.949 174.818 175.900 -0.221 0.000 1.058 94 Y CA -1.292 56.681 58.100 -0.213 0.000 1.081 94 Y CB 1.555 39.883 38.460 -0.221 0.000 1.295 94 Y HN -0.084 nan 8.280 nan 0.000 0.487 95 L N 1.717 122.806 121.223 -0.222 0.000 2.439 95 L HA 0.665 5.005 4.340 -0.001 0.000 0.270 95 L C -2.146 174.512 176.870 -0.353 0.000 0.972 95 L CA -0.362 54.334 54.840 -0.240 0.000 0.836 95 L CB 0.965 42.745 42.059 -0.465 0.000 1.255 95 L HN 0.469 nan 8.230 nan 0.000 0.404 96 F N 5.433 125.318 119.950 -0.108 0.000 2.480 96 F HA 0.690 5.217 4.527 -0.001 0.000 0.329 96 F C -0.047 175.722 175.800 -0.053 0.000 1.091 96 F CA -0.547 57.400 58.000 -0.088 0.000 0.972 96 F CB 1.953 40.916 39.000 -0.063 0.000 1.150 96 F HN 0.304 nan 8.300 nan 0.000 0.467 97 I N 1.947 122.594 120.570 0.128 0.000 2.894 97 I HA 0.376 4.545 4.170 -0.001 0.000 0.302 97 I C -1.345 174.890 176.117 0.196 0.000 1.188 97 I CA -0.727 60.644 61.300 0.118 0.000 1.014 97 I CB 2.194 40.214 38.000 0.032 0.000 1.242 97 I HN 0.801 nan 8.210 nan 0.000 0.430 98 N N 2.382 121.175 118.700 0.155 0.000 2.482 98 N HA 0.487 5.227 4.740 -0.001 0.000 0.279 98 N C -1.583 173.920 175.510 -0.012 0.000 1.182 98 N CA -0.523 52.569 53.050 0.071 0.000 0.969 98 N CB 1.302 39.788 38.487 -0.002 0.000 1.201 98 N HN 0.417 nan 8.380 nan 0.000 0.523 99 D N -1.115 119.117 120.400 -0.280 0.000 2.402 99 D HA 0.165 4.804 4.640 -0.001 0.000 0.252 99 D C -0.204 175.857 176.300 -0.397 0.000 1.294 99 D CA -0.595 53.050 54.000 -0.591 0.000 0.948 99 D CB 1.203 41.168 40.800 -1.391 0.000 1.202 99 D HN 0.688 nan 8.370 nan 0.000 0.561 100 K N 2.605 122.811 120.400 -0.323 0.000 2.305 100 K HA 0.092 4.412 4.320 -0.001 0.000 0.199 100 K C 1.468 177.951 176.600 -0.195 0.000 1.047 100 K CA 0.826 56.946 56.287 -0.279 0.000 0.976 100 K CB 0.214 32.499 32.500 -0.357 0.000 0.765 100 K HN 0.381 nan 8.250 nan 0.000 0.474 101 A N 1.376 124.079 122.820 -0.195 0.000 1.872 101 A HA -0.051 4.269 4.320 -0.001 0.000 0.214 101 A C 1.207 178.658 177.584 -0.220 0.000 1.187 101 A CA 1.208 53.158 52.037 -0.145 0.000 0.614 101 A CB -0.082 18.852 19.000 -0.109 0.000 0.826 101 A HN 0.345 nan 8.150 nan 0.000 0.442 102 N N -0.393 118.086 118.700 -0.367 0.000 2.365 102 N HA 0.119 4.858 4.740 -0.001 0.000 0.257 102 N C -0.950 174.360 175.510 -0.334 0.000 1.287 102 N CA 0.626 53.392 53.050 -0.473 0.000 0.882 102 N CB 0.619 38.529 38.487 -0.963 0.000 1.250 102 N HN 0.241 nan 8.380 nan 0.000 0.507 103 T N 1.050 115.452 114.554 -0.253 0.000 3.429 103 T HA -0.216 4.133 4.350 -0.001 0.000 0.417 103 T C 0.069 174.656 174.700 -0.187 0.000 0.767 103 T CA 0.902 62.899 62.100 -0.172 0.000 2.141 103 T CB -1.107 67.722 68.868 -0.065 0.000 1.699 103 T HN 0.431 nan 8.240 nan 0.000 0.685 104 R N -0.481 119.845 120.500 -0.290 0.000 2.799 104 R HA 0.784 5.124 4.340 -0.001 0.000 0.270 104 R C -1.084 175.128 176.300 -0.146 0.000 1.010 104 R CA -1.082 54.857 56.100 -0.268 0.000 0.916 104 R CB 2.150 32.211 30.300 -0.398 0.000 1.228 104 R HN 0.165 nan 8.270 nan 0.000 0.469 105 V N 0.973 120.883 119.914 -0.006 0.000 2.638 105 V HA 0.723 4.842 4.120 -0.001 0.000 0.306 105 V C -0.765 175.430 176.094 0.168 0.000 1.052 105 V CA -0.728 61.632 62.300 0.100 0.000 0.885 105 V CB 1.751 33.595 31.823 0.035 0.000 0.999 105 V HN 0.940 nan 8.190 nan 0.000 0.424 106 A N 4.779 127.723 122.820 0.206 0.000 2.354 106 A HA 0.954 5.274 4.320 -0.001 0.000 0.321 106 A C -0.555 176.926 177.584 -0.171 0.000 1.125 106 A CA -0.815 51.227 52.037 0.008 0.000 0.799 106 A CB 1.828 20.722 19.000 -0.178 0.000 1.293 106 A HN 0.761 nan 8.150 nan 0.000 0.452 107 R N 1.480 121.762 120.500 -0.365 0.000 2.599 107 R HA 0.705 5.045 4.340 -0.001 0.000 0.295 107 R C -1.815 174.138 176.300 -0.578 0.000 0.963 107 R CA -0.483 55.154 56.100 -0.772 0.000 0.883 107 R CB 1.041 30.753 30.300 -0.979 0.000 1.171 107 R HN 0.705 nan 8.270 nan 0.000 0.450 108 I N 3.702 123.921 120.570 -0.585 0.000 2.465 108 I HA 0.408 4.577 4.170 -0.001 0.000 0.291 108 I C 0.272 176.210 176.117 -0.297 0.000 1.014 108 I CA -0.987 60.059 61.300 -0.424 0.000 1.093 108 I CB 2.098 39.842 38.000 -0.426 0.000 1.267 108 I HN 0.420 nan 8.210 nan 0.000 0.431 109 R N 5.572 125.939 120.500 -0.221 0.000 2.242 109 R HA 0.279 4.619 4.340 -0.001 0.000 0.334 109 R C 0.737 176.931 176.300 -0.176 0.000 1.071 109 R CA -0.231 55.806 56.100 -0.105 0.000 0.922 109 R CB 0.749 30.986 30.300 -0.105 0.000 1.023 109 R HN 0.663 nan 8.270 nan 0.000 0.458 110 L N 2.435 123.551 121.223 -0.178 0.000 2.465 110 L HA -0.150 4.189 4.340 -0.001 0.000 0.224 110 L C 1.858 178.627 176.870 -0.169 0.000 1.145 110 L CA 0.743 55.459 54.840 -0.208 0.000 0.834 110 L CB -0.249 41.682 42.059 -0.215 0.000 0.944 110 L HN 0.650 nan 8.230 nan 0.000 0.451 111 D N 1.067 121.373 120.400 -0.157 0.000 2.269 111 D HA -0.173 4.467 4.640 -0.001 0.000 0.208 111 D C 1.547 177.751 176.300 -0.159 0.000 0.963 111 D CA 1.141 55.055 54.000 -0.144 0.000 0.864 111 D CB 0.083 40.803 40.800 -0.134 0.000 0.936 111 D HN 0.597 nan 8.370 nan 0.000 0.505 112 I N -5.147 115.319 120.570 -0.172 0.000 4.442 112 I HA 0.242 4.412 4.170 -0.001 0.000 0.331 112 I C -0.172 175.853 176.117 -0.152 0.000 1.364 112 I CA -0.522 60.665 61.300 -0.189 0.000 1.207 112 I CB 0.348 38.206 38.000 -0.237 0.000 1.298 112 I HN -0.332 nan 8.210 nan 0.000 0.463 113 M N 2.117 121.618 119.600 -0.166 0.000 2.632 113 M HA -0.108 4.371 4.480 -0.001 0.000 0.184 113 M C -1.096 175.083 176.300 -0.202 0.000 0.976 113 M CA 1.285 56.485 55.300 -0.167 0.000 0.612 113 M CB -1.829 30.715 32.600 -0.093 0.000 1.181 113 M HN 0.447 nan 8.290 nan 0.000 0.840 114 K N -0.148 120.087 120.400 -0.275 0.000 2.498 114 K HA 0.513 4.833 4.320 -0.001 0.000 0.254 114 K C -0.120 176.225 176.600 -0.426 0.000 0.933 114 K CA -0.525 55.541 56.287 -0.368 0.000 0.806 114 K CB 1.605 33.847 32.500 -0.430 0.000 1.301 114 K HN 0.200 nan 8.250 nan 0.000 0.432 115 T N 1.945 116.147 114.554 -0.587 0.000 2.867 115 T HA -0.028 4.321 4.350 -0.001 0.000 0.297 115 T C 0.899 175.469 174.700 -0.217 0.000 0.989 115 T CA 0.561 62.366 62.100 -0.492 0.000 1.159 115 T CB 0.418 68.863 68.868 -0.705 0.000 0.928 115 T HN 0.481 nan 8.240 nan 0.000 0.538 116 D N 2.017 122.291 120.400 -0.211 0.000 2.338 116 D HA 0.103 4.742 4.640 -0.001 0.000 0.224 116 D C 0.275 176.536 176.300 -0.065 0.000 0.967 116 D CA 0.787 54.708 54.000 -0.132 0.000 0.896 116 D CB 0.445 41.120 40.800 -0.208 0.000 1.028 116 D HN 0.192 nan 8.370 nan 0.000 0.493 117 K N 0.206 120.530 120.400 -0.128 0.000 2.469 117 K HA 0.472 4.792 4.320 -0.001 0.000 0.254 117 K C -1.058 175.525 176.600 -0.028 0.000 0.939 117 K CA -0.602 55.646 56.287 -0.065 0.000 0.812 117 K CB 2.602 35.030 32.500 -0.121 0.000 1.301 117 K HN 0.014 nan 8.250 nan 0.000 0.433 118 I N 1.741 122.337 120.570 0.044 0.000 2.468 118 I HA 0.241 4.410 4.170 -0.001 0.000 0.285 118 I C -0.748 175.404 176.117 0.059 0.000 1.039 118 I CA -0.461 60.883 61.300 0.074 0.000 1.074 118 I CB 2.360 40.446 38.000 0.144 0.000 1.228 118 I HN 0.374 nan 8.210 nan 0.000 0.436 119 T N 3.768 118.336 114.554 0.023 0.000 2.824 119 T HA 0.423 4.773 4.350 -0.001 0.000 0.282 119 T C -0.503 174.188 174.700 -0.014 0.000 0.993 119 T CA -0.619 61.511 62.100 0.050 0.000 0.967 119 T CB 1.005 69.894 68.868 0.033 0.000 0.960 119 T HN 0.357 nan 8.240 nan 0.000 0.441 120 H N 2.824 121.916 119.070 0.037 0.000 2.562 120 H HA 0.255 4.811 4.556 -0.001 0.000 0.314 120 H C 0.003 175.328 175.328 -0.006 0.000 1.079 120 H CA -0.755 55.305 56.048 0.020 0.000 1.349 120 H CB 0.958 30.748 29.762 0.047 0.000 1.432 120 H HN 0.321 nan 8.280 nan 0.000 0.479 121 I N 6.381 126.988 120.570 0.063 0.000 2.396 121 I HA 0.086 4.256 4.170 -0.001 0.000 0.289 121 I C -1.785 174.354 176.117 0.037 0.000 1.056 121 I CA -2.570 58.738 61.300 0.012 0.000 1.365 121 I CB 0.320 38.297 38.000 -0.039 0.000 1.407 121 I HN 0.356 nan 8.210 nan 0.000 0.509 122 P HA 0.154 nan 4.420 nan 0.000 0.276 122 P C -0.316 177.008 177.300 0.040 0.000 1.244 122 P CA -0.318 62.806 63.100 0.039 0.000 0.801 122 P CB 0.561 32.279 31.700 0.030 0.000 1.006 123 N N -1.761 116.971 118.700 0.053 0.000 2.707 123 N HA -0.129 4.611 4.740 -0.001 0.000 0.253 123 N C -0.289 175.265 175.510 0.074 0.000 0.998 123 N CA 0.696 53.785 53.050 0.065 0.000 0.751 123 N CB -1.352 37.173 38.487 0.064 0.000 0.920 123 N HN 0.340 nan 8.380 nan 0.000 0.539 124 V N -0.724 119.231 119.914 0.068 0.000 3.282 124 V HA 0.375 4.495 4.120 -0.001 0.000 0.295 124 V C -1.380 174.749 176.094 0.059 0.000 1.451 124 V CA -0.708 61.633 62.300 0.069 0.000 1.062 124 V CB 2.603 34.454 31.823 0.047 0.000 1.128 124 V HN 0.218 nan 8.190 nan 0.000 0.456 125 Q N 1.302 121.136 119.800 0.056 0.000 2.379 125 Q HA 0.730 5.069 4.340 -0.001 0.000 0.278 125 Q C -0.542 175.428 176.000 -0.050 0.000 1.068 125 Q CA -0.202 55.628 55.803 0.045 0.000 0.816 125 Q CB 2.184 31.006 28.738 0.140 0.000 1.387 125 Q HN 1.888 nan 8.270 nan 0.000 0.413 126 A N 2.286 125.046 122.820 -0.100 0.000 2.026 126 A HA -0.143 4.177 4.320 -0.001 0.000 0.259 126 A C -0.436 177.005 177.584 -0.239 0.000 1.374 126 A CA -0.028 51.858 52.037 -0.251 0.000 0.717 126 A CB -1.338 17.292 19.000 -0.615 0.000 1.187 126 A HN 0.469 nan 8.150 nan 0.000 0.296 127 I N 4.028 124.492 120.570 -0.177 0.000 2.406 127 I HA 0.128 4.298 4.170 -0.001 0.000 0.293 127 I C 1.444 177.501 176.117 -0.100 0.000 1.101 127 I CA 0.791 62.020 61.300 -0.118 0.000 1.334 127 I CB -0.255 37.676 38.000 -0.115 0.000 1.421 127 I HN 0.828 nan 8.210 nan 0.000 0.513 128 H N 5.345 124.318 119.070 -0.161 0.000 2.429 128 H HA 0.213 4.768 4.556 -0.001 0.000 0.303 128 H C 0.995 176.413 175.328 0.150 0.000 1.201 128 H CA 0.206 56.173 56.048 -0.135 0.000 1.776 128 H CB 0.908 30.619 29.762 -0.083 0.000 1.505 128 H HN 0.581 nan 8.280 nan 0.000 0.631 129 G N 1.398 110.210 108.800 0.019 0.000 2.380 129 G HA2 0.355 4.314 3.960 -0.001 0.000 0.242 129 G HA3 0.355 4.314 3.960 -0.001 0.000 0.242 129 G C -0.980 173.947 174.900 0.046 0.000 1.298 129 G CA -0.076 44.972 45.100 -0.087 0.000 0.878 129 G HN 0.409 nan 8.290 nan 0.000 0.542 130 L N 2.040 123.286 121.223 0.037 0.000 2.588 130 L HA 0.704 5.044 4.340 -0.001 0.000 0.263 130 L C -0.675 176.230 176.870 0.058 0.000 0.935 130 L CA -0.857 54.039 54.840 0.095 0.000 0.891 130 L CB 1.540 43.693 42.059 0.156 0.000 1.318 130 L HN 0.679 nan 8.230 nan 0.000 0.409 131 R N 3.742 124.233 120.500 -0.015 0.000 2.752 131 R HA 0.676 5.015 4.340 -0.001 0.000 0.271 131 R C -1.782 174.462 176.300 -0.092 0.000 1.026 131 R CA -0.892 55.086 56.100 -0.203 0.000 0.901 131 R CB 2.299 32.468 30.300 -0.219 0.000 1.243 131 R HN 0.532 nan 8.270 nan 0.000 0.463 132 L N 0.918 122.062 121.223 -0.132 0.000 2.334 132 L HA 0.460 4.800 4.340 -0.001 0.000 0.272 132 L C 0.328 177.178 176.870 -0.033 0.000 1.020 132 L CA -0.853 53.889 54.840 -0.162 0.000 0.812 132 L CB 1.540 43.498 42.059 -0.169 0.000 1.264 132 L HN 0.505 nan 8.230 nan 0.000 0.439 133 Q N 1.276 121.016 119.800 -0.099 0.000 2.364 133 Q HA 0.065 4.405 4.340 -0.001 0.000 0.267 133 Q C -0.044 175.953 176.000 -0.004 0.000 0.999 133 Q CA 0.313 56.155 55.803 0.064 0.000 0.886 133 Q CB 0.987 29.744 28.738 0.032 0.000 1.243 133 Q HN 0.588 nan 8.270 nan 0.000 0.415 134 K N 1.850 122.237 120.400 -0.022 0.000 2.350 134 K HA 0.209 4.528 4.320 -0.001 0.000 0.196 134 K C -0.468 176.091 176.600 -0.068 0.000 1.084 134 K CA 0.165 56.383 56.287 -0.116 0.000 0.967 134 K CB 1.116 33.387 32.500 -0.382 0.000 0.950 134 K HN 0.354 nan 8.250 nan 0.000 0.512 135 V N 2.023 121.926 119.914 -0.019 0.000 2.709 135 V HA 0.151 4.271 4.120 -0.001 0.000 0.308 135 V C -2.197 173.919 176.094 0.037 0.000 1.062 135 V CA -1.566 60.744 62.300 0.017 0.000 0.901 135 V CB 2.083 33.932 31.823 0.044 0.000 1.003 135 V HN -0.107 nan 8.190 nan 0.000 0.425 136 P HA -0.047 nan 4.420 nan 0.000 0.218 136 P C -0.069 177.235 177.300 0.005 0.000 1.149 136 P CA 1.159 64.267 63.100 0.014 0.000 0.817 136 P CB 0.205 31.909 31.700 0.006 0.000 0.785 137 K N -4.549 115.847 120.400 -0.005 0.000 2.580 137 K HA 0.402 4.721 4.320 -0.001 0.000 0.288 137 K C -1.114 175.467 176.600 -0.033 0.000 1.041 137 K CA -0.855 55.425 56.287 -0.012 0.000 0.855 137 K CB -0.068 32.425 32.500 -0.013 0.000 1.543 137 K HN -0.514 nan 8.250 nan 0.000 0.388 138 T N 1.603 116.135 114.554 -0.037 0.000 2.987 138 T HA 0.170 4.520 4.350 -0.001 0.000 0.288 138 T C 0.086 174.700 174.700 -0.143 0.000 0.981 138 T CA -0.224 61.821 62.100 -0.092 0.000 1.031 138 T CB -0.714 68.114 68.868 -0.066 0.000 0.976 138 T HN 0.529 nan 8.240 nan 0.000 0.612 139 N N 1.285 119.858 118.700 -0.211 0.000 2.368 139 N HA 0.098 4.838 4.740 -0.001 0.000 0.178 139 N C -0.588 174.616 175.510 -0.510 0.000 1.076 139 N CA 0.200 53.051 53.050 -0.331 0.000 0.889 139 N CB 0.538 38.797 38.487 -0.381 0.000 1.040 139 N HN 0.380 nan 8.380 nan 0.000 0.463 140 Y N 0.520 120.574 120.300 -0.410 0.000 2.429 140 Y HA 0.480 5.030 4.550 -0.001 0.000 0.342 140 Y C -0.401 174.926 175.900 -0.954 0.000 1.004 140 Y CA -1.084 56.592 58.100 -0.707 0.000 1.075 140 Y CB 1.567 39.507 38.460 -0.867 0.000 1.214 140 Y HN -0.353 nan 8.280 nan 0.000 0.455 141 V N 4.688 124.135 119.914 -0.780 0.000 2.376 141 V HA 0.331 4.451 4.120 -0.001 0.000 0.287 141 V C -0.991 174.657 176.094 -0.743 0.000 1.015 141 V CA -0.989 60.846 62.300 -0.775 0.000 0.834 141 V CB 0.485 31.864 31.823 -0.740 0.000 1.001 141 V HN 0.441 nan 8.190 nan 0.000 0.428 142 F N 3.479 123.235 119.950 -0.322 0.000 2.420 142 F HA 0.531 5.057 4.527 -0.001 0.000 0.352 142 F C 0.584 176.191 175.800 -0.322 0.000 1.108 142 F CA -0.615 57.131 58.000 -0.424 0.000 1.162 142 F CB 0.814 39.757 39.000 -0.095 0.000 1.118 142 F HN 0.359 nan 8.300 nan 0.000 0.510 143 C N 3.070 122.186 119.300 -0.307 0.000 2.507 143 C HA 0.481 4.940 4.460 -0.001 0.000 0.319 143 C C -0.144 174.797 174.990 -0.080 0.000 1.208 143 C CA -1.360 57.564 59.018 -0.156 0.000 1.619 143 C CB 1.083 28.712 27.740 -0.185 0.000 2.230 143 C HN 0.805 nan 8.230 nan 0.000 0.492 144 N N 0.528 119.267 118.700 0.064 0.000 2.405 144 N HA 0.639 5.379 4.740 -0.001 0.000 0.299 144 N C -0.757 174.792 175.510 0.064 0.000 1.075 144 N CA -0.293 52.843 53.050 0.145 0.000 0.884 144 N CB 1.490 40.086 38.487 0.181 0.000 1.194 144 N HN 0.859 nan 8.380 nan 0.000 0.491 145 A N 1.204 124.065 122.820 0.067 0.000 2.258 145 A HA 0.164 4.483 4.320 -0.001 0.000 0.316 145 A C 0.809 178.378 177.584 -0.025 0.000 1.279 145 A CA -0.539 51.497 52.037 -0.002 0.000 0.876 145 A CB 0.643 19.661 19.000 0.029 0.000 1.170 145 A HN 0.890 nan 8.150 nan 0.000 0.520 146 E N 1.959 122.044 120.200 -0.191 0.000 2.107 146 E HA -0.029 4.321 4.350 -0.001 0.000 0.191 146 E C -0.660 175.831 176.600 -0.181 0.000 0.982 146 E CA 0.862 57.100 56.400 -0.269 0.000 0.809 146 E CB 0.065 29.436 29.700 -0.549 0.000 0.756 146 E HN 0.648 nan 8.360 nan 0.000 0.459 147 F N 1.024 120.998 119.950 0.041 0.000 2.427 147 F HA 0.220 4.747 4.527 -0.001 0.000 0.346 147 F C 0.098 175.917 175.800 0.032 0.000 1.120 147 F CA -1.857 56.156 58.000 0.022 0.000 1.033 147 F CB 1.105 40.118 39.000 0.021 0.000 1.126 147 F HN -0.254 nan 8.300 nan 0.000 0.462 148 V N 3.813 123.853 119.914 0.209 0.000 2.555 148 V HA 0.670 4.790 4.120 -0.001 0.000 0.286 148 V C -0.119 176.048 176.094 0.122 0.000 1.044 148 V CA -0.526 61.855 62.300 0.134 0.000 1.026 148 V CB 0.474 32.326 31.823 0.049 0.000 0.981 148 V HN 0.706 nan 8.190 nan 0.000 0.480 149 I N 1.428 122.079 120.570 0.135 0.000 3.074 149 I HA 0.773 4.943 4.170 -0.001 0.000 0.310 149 I C -2.738 173.466 176.117 0.146 0.000 1.153 149 I CA -2.829 58.550 61.300 0.131 0.000 0.993 149 I CB 2.445 40.529 38.000 0.140 0.000 1.237 149 I HN 0.405 nan 8.210 nan 0.000 0.443 150 P HA 0.117 nan 4.420 nan 0.000 0.272 150 P C -1.477 175.910 177.300 0.144 0.000 1.230 150 P CA 0.029 63.214 63.100 0.142 0.000 0.788 150 P CB 0.634 32.389 31.700 0.092 0.000 0.949 151 Q N 1.851 121.742 119.800 0.152 0.000 2.347 151 Q HA 0.382 4.721 4.340 -0.001 0.000 0.265 151 Q C -1.907 174.139 176.000 0.076 0.000 1.024 151 Q CA -1.627 54.244 55.803 0.113 0.000 0.731 151 Q CB 1.432 30.240 28.738 0.117 0.000 1.245 151 Q HN 0.435 nan 8.270 nan 0.000 0.472 152 P HA 0.152 nan 4.420 nan 0.000 0.279 152 P C -0.742 176.595 177.300 0.062 0.000 1.252 152 P CA -0.587 62.549 63.100 0.061 0.000 0.811 152 P CB 0.916 32.645 31.700 0.047 0.000 1.035 153 N N 1.159 119.904 118.700 0.075 0.000 2.968 153 N HA 0.036 4.775 4.740 -0.001 0.000 0.271 153 N C -0.186 175.369 175.510 0.075 0.000 1.174 153 N CA -0.233 52.869 53.050 0.086 0.000 1.096 153 N CB -0.627 37.925 38.487 0.108 0.000 1.403 153 N HN 0.248 nan 8.380 nan 0.000 0.522 154 D N 0.563 120.989 120.400 0.044 0.000 2.431 154 D HA 0.213 4.852 4.640 -0.001 0.000 0.213 154 D C 1.003 177.317 176.300 0.023 0.000 1.130 154 D CA -0.157 53.865 54.000 0.036 0.000 0.834 154 D CB -0.167 40.642 40.800 0.017 0.000 0.985 154 D HN 0.293 nan 8.370 nan 0.000 0.504 155 G N 0.531 109.330 108.800 -0.001 0.000 2.182 155 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.248 155 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.248 155 G C 0.879 175.542 174.900 -0.394 0.000 1.042 155 G CA 0.752 45.798 45.100 -0.090 0.000 0.775 155 G HN 0.624 nan 8.290 nan 0.000 0.501 156 T N -3.859 110.473 114.554 -0.369 0.000 3.010 156 T HA 0.452 4.802 4.350 -0.001 0.000 0.257 156 T C 0.263 174.732 174.700 -0.385 0.000 1.020 156 T CA 0.935 62.851 62.100 -0.306 0.000 0.938 156 T CB 0.891 69.674 68.868 -0.141 0.000 1.049 156 T HN 0.528 nan 8.240 nan 0.000 0.522 157 D N -0.131 119.958 120.400 -0.518 0.000 2.333 157 D HA 0.307 4.946 4.640 -0.001 0.000 0.225 157 D C -0.559 175.550 176.300 -0.319 0.000 1.345 157 D CA -0.680 53.099 54.000 -0.367 0.000 0.971 157 D CB 0.242 40.957 40.800 -0.141 0.000 1.451 157 D HN 0.003 nan 8.370 nan 0.000 0.561 158 F N 1.189 121.150 119.950 0.019 0.000 2.789 158 F HA 0.137 4.663 4.527 -0.001 0.000 0.300 158 F C 1.516 177.318 175.800 0.002 0.000 1.132 158 F CA -0.260 57.747 58.000 0.012 0.000 1.404 158 F CB -0.580 38.424 39.000 0.007 0.000 1.114 158 F HN 0.242 nan 8.300 nan 0.000 0.584 159 S N 1.087 116.861 115.700 0.124 0.000 2.573 159 S HA -0.034 4.436 4.470 -0.001 0.000 0.297 159 S C 1.120 175.741 174.600 0.035 0.000 1.280 159 S CA -0.321 57.921 58.200 0.069 0.000 1.061 159 S CB 0.484 63.704 63.200 0.034 0.000 0.812 159 S HN 0.378 nan 8.310 nan 0.000 0.500 160 L N 1.292 122.519 121.223 0.006 0.000 2.395 160 L HA -0.015 4.324 4.340 -0.001 0.000 0.218 160 L C 1.673 178.480 176.870 -0.104 0.000 1.130 160 L CA 0.734 55.548 54.840 -0.043 0.000 0.826 160 L CB -0.675 41.360 42.059 -0.040 0.000 0.941 160 L HN 0.642 nan 8.230 nan 0.000 0.451 161 D N 0.316 120.678 120.400 -0.063 0.000 2.149 161 D HA -0.161 4.479 4.640 -0.001 0.000 0.198 161 D C 1.197 177.434 176.300 -0.106 0.000 0.990 161 D CA 1.066 55.026 54.000 -0.067 0.000 0.839 161 D CB -0.082 40.714 40.800 -0.008 0.000 0.948 161 D HN 0.246 nan 8.370 nan 0.000 0.460 162 N N -0.199 118.468 118.700 -0.055 0.000 2.275 162 N HA 0.112 4.852 4.740 -0.001 0.000 0.236 162 N C -0.741 174.772 175.510 0.005 0.000 1.154 162 N CA 0.056 53.152 53.050 0.076 0.000 0.866 162 N CB 1.021 39.599 38.487 0.151 0.000 1.093 162 N HN -0.086 nan 8.380 nan 0.000 0.515 163 S N 0.804 116.341 115.700 -0.272 0.000 2.457 163 S HA 0.510 4.979 4.470 -0.001 0.000 0.289 163 S C -0.740 173.625 174.600 -0.393 0.000 1.163 163 S CA -0.302 57.807 58.200 -0.152 0.000 1.078 163 S CB 0.598 63.756 63.200 -0.070 0.000 0.987 163 S HN 0.157 nan 8.310 nan 0.000 0.482 164 Y N 0.213 120.568 120.300 0.092 0.000 2.705 164 Y HA 0.723 5.272 4.550 -0.001 0.000 0.332 164 Y C 0.624 176.593 175.900 0.115 0.000 1.157 164 Y CA -0.891 57.273 58.100 0.106 0.000 1.091 164 Y CB 1.527 40.053 38.460 0.109 0.000 1.301 164 Y HN 0.532 nan 8.280 nan 0.000 0.488 165 T N 0.264 115.007 114.554 0.316 0.000 2.804 165 T HA 0.803 5.152 4.350 -0.001 0.000 0.290 165 T C -1.259 173.584 174.700 0.239 0.000 1.099 165 T CA -0.678 61.558 62.100 0.227 0.000 1.011 165 T CB 1.008 69.986 68.868 0.182 0.000 1.291 165 T HN 0.547 nan 8.240 nan 0.000 0.523 166 M N 1.567 121.286 119.600 0.199 0.000 2.618 166 M HA 0.522 5.001 4.480 -0.001 0.000 0.281 166 M C -1.645 174.791 176.300 0.228 0.000 1.267 166 M CA -0.858 54.572 55.300 0.216 0.000 0.845 166 M CB 2.502 35.191 32.600 0.149 0.000 1.732 166 M HN 0.621 nan 8.290 nan 0.000 0.461 167 F N 1.106 121.087 119.950 0.052 0.000 2.415 167 F HA 0.603 5.130 4.527 -0.001 0.000 0.348 167 F C -0.674 175.055 175.800 -0.120 0.000 1.119 167 F CA -0.105 57.825 58.000 -0.118 0.000 1.069 167 F CB 1.115 39.834 39.000 -0.469 0.000 1.124 167 F HN 0.445 nan 8.300 nan 0.000 0.472 168 T N 5.156 119.296 114.554 -0.689 0.000 2.888 168 T HA 0.804 5.154 4.350 -0.001 0.000 0.284 168 T C -0.866 173.233 174.700 -1.001 0.000 1.017 168 T CA -0.636 61.069 62.100 -0.658 0.000 1.022 168 T CB 1.514 70.161 68.868 -0.369 0.000 1.013 168 T HN 0.773 nan 8.240 nan 0.000 0.465 169 A N 2.758 124.953 122.820 -1.042 0.000 2.335 169 A HA 0.788 5.108 4.320 -0.001 0.000 0.304 169 A C -0.672 176.432 177.584 -0.799 0.000 1.118 169 A CA -0.719 50.616 52.037 -1.171 0.000 0.757 169 A CB 0.500 18.191 19.000 -2.182 0.000 1.188 169 A HN 0.828 nan 8.150 nan 0.000 0.460 170 I N 1.289 121.526 120.570 -0.555 0.000 2.493 170 I HA 0.242 4.412 4.170 -0.001 0.000 0.298 170 I C -0.454 175.487 176.117 -0.294 0.000 0.998 170 I CA -0.703 60.381 61.300 -0.360 0.000 1.137 170 I CB 2.044 39.874 38.000 -0.283 0.000 1.310 170 I HN 0.735 nan 8.210 nan 0.000 0.445 171 D N 4.267 124.533 120.400 -0.222 0.000 2.338 171 D HA 0.266 4.906 4.640 -0.001 0.000 0.255 171 D C 1.030 177.216 176.300 -0.189 0.000 1.237 171 D CA 0.027 53.889 54.000 -0.230 0.000 0.883 171 D CB 1.486 42.183 40.800 -0.171 0.000 1.087 171 D HN 0.627 nan 8.370 nan 0.000 0.485 172 A N 4.519 127.194 122.820 -0.242 0.000 1.948 172 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 172 A C 1.919 179.528 177.584 0.042 0.000 1.177 172 A CA 1.243 53.202 52.037 -0.131 0.000 0.636 172 A CB -0.308 18.564 19.000 -0.212 0.000 0.815 172 A HN 0.628 nan 8.150 nan 0.000 0.449 173 E N -0.990 119.207 120.200 -0.005 0.000 2.230 173 E HA -0.034 4.315 4.350 -0.001 0.000 0.192 173 E C 1.514 178.102 176.600 -0.020 0.000 0.987 173 E CA 1.487 57.906 56.400 0.033 0.000 0.841 173 E CB -0.197 29.523 29.700 0.033 0.000 0.783 173 E HN 0.652 nan 8.360 nan 0.000 0.481 174 T N -0.191 114.336 114.554 -0.046 0.000 2.971 174 T HA 0.115 4.464 4.350 -0.001 0.000 0.252 174 T C 0.809 175.479 174.700 -0.049 0.000 1.022 174 T CA -0.203 61.870 62.100 -0.044 0.000 0.980 174 T CB 0.482 69.325 68.868 -0.042 0.000 1.044 174 T HN -0.061 nan 8.240 nan 0.000 0.501 175 M N 1.696 121.265 119.600 -0.050 0.000 2.751 175 M HA -0.126 4.353 4.480 -0.001 0.000 0.199 175 M C -1.428 174.847 176.300 -0.041 0.000 0.550 175 M CA 0.634 55.915 55.300 -0.032 0.000 0.640 175 M CB -1.800 30.779 32.600 -0.035 0.000 2.351 175 M HN 0.228 nan 8.290 nan 0.000 0.613 176 D N -0.114 120.251 120.400 -0.058 0.000 2.185 176 D HA 0.520 5.159 4.640 -0.001 0.000 0.247 176 D C 0.105 176.348 176.300 -0.095 0.000 1.027 176 D CA -0.395 53.572 54.000 -0.055 0.000 0.861 176 D CB 1.806 42.581 40.800 -0.041 0.000 1.202 176 D HN -0.032 nan 8.370 nan 0.000 0.453 177 V N 2.175 122.031 119.914 -0.098 0.000 2.540 177 V HA 0.121 4.241 4.120 -0.001 0.000 0.297 177 V C 1.360 177.357 176.094 -0.162 0.000 1.024 177 V CA 0.257 62.464 62.300 -0.156 0.000 1.105 177 V CB 0.796 32.542 31.823 -0.128 0.000 0.938 177 V HN 0.753 nan 8.190 nan 0.000 0.482 178 A N 6.331 128.994 122.820 -0.262 0.000 1.850 178 A HA 0.224 4.543 4.320 -0.001 0.000 0.212 178 A C 0.694 178.221 177.584 -0.095 0.000 1.208 178 A CA 0.962 52.883 52.037 -0.195 0.000 0.609 178 A CB 0.240 19.094 19.000 -0.244 0.000 0.860 178 A HN 0.956 nan 8.150 nan 0.000 0.448 179 W N -2.707 118.508 121.300 -0.141 0.000 2.989 179 W HA 0.619 5.279 4.660 -0.001 0.000 0.344 179 W C -1.841 174.565 176.519 -0.190 0.000 1.233 179 W CA -0.814 56.417 57.345 -0.190 0.000 1.187 179 W CB 0.396 29.733 29.460 -0.205 0.000 1.443 179 W HN 0.137 nan 8.180 nan 0.000 0.573 180 Q N 1.242 121.186 119.800 0.239 0.000 2.347 180 Q HA 0.560 4.900 4.340 -0.001 0.000 0.271 180 Q C -1.161 174.965 176.000 0.210 0.000 1.064 180 Q CA -1.095 54.799 55.803 0.152 0.000 0.800 180 Q CB 3.448 32.213 28.738 0.046 0.000 1.304 180 Q HN 0.263 nan 8.270 nan 0.000 0.438 181 V N 3.443 123.514 119.914 0.262 0.000 2.384 181 V HA 0.415 4.535 4.120 -0.001 0.000 0.287 181 V C -0.023 176.242 176.094 0.284 0.000 1.020 181 V CA -0.653 61.804 62.300 0.262 0.000 0.850 181 V CB 1.221 33.299 31.823 0.425 0.000 0.987 181 V HN 0.664 nan 8.190 nan 0.000 0.436 182 I N 5.745 126.436 120.570 0.201 0.000 2.529 182 I HA 0.419 4.588 4.170 -0.001 0.000 0.284 182 I C 0.217 176.488 176.117 0.257 0.000 1.082 182 I CA 0.019 61.434 61.300 0.191 0.000 1.406 182 I CB 1.132 39.178 38.000 0.076 0.000 1.405 182 I HN 0.563 nan 8.210 nan 0.000 0.548 183 V N 1.807 121.908 119.914 0.312 0.000 3.158 183 V HA 0.604 4.724 4.120 -0.001 0.000 0.311 183 V C -0.721 175.621 176.094 0.413 0.000 1.181 183 V CA -0.986 61.541 62.300 0.377 0.000 1.054 183 V CB 2.054 34.136 31.823 0.431 0.000 1.085 183 V HN 0.518 nan 8.190 nan 0.000 0.446 184 D N -0.017 120.648 120.400 0.442 0.000 2.388 184 D HA 0.610 5.249 4.640 -0.001 0.000 0.254 184 D C 0.834 177.482 176.300 0.580 0.000 1.111 184 D CA 1.196 55.442 54.000 0.409 0.000 0.993 184 D CB 1.467 42.331 40.800 0.107 0.000 1.118 184 D HN 1.365 nan 8.370 nan 0.000 0.502 185 G N 1.141 110.189 108.800 0.413 0.000 2.611 185 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.301 185 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.301 185 G C 0.097 175.074 174.900 0.127 0.000 1.233 185 G CA 0.930 46.136 45.100 0.177 0.000 0.993 185 G HN 0.882 nan 8.290 nan 0.000 0.553 186 N N -2.264 116.458 118.700 0.037 0.000 3.387 186 N HA 0.730 5.470 4.740 -0.001 0.000 0.322 186 N C -1.090 174.475 175.510 0.093 0.000 1.588 186 N CA -1.200 51.866 53.050 0.026 0.000 0.778 186 N CB 1.421 39.808 38.487 -0.166 0.000 1.883 186 N HN 0.704 nan 8.380 nan 0.000 0.628 187 L N -0.066 121.210 121.223 0.089 0.000 2.409 187 L HA 0.391 4.731 4.340 -0.001 0.000 0.272 187 L C -0.322 176.660 176.870 0.186 0.000 0.980 187 L CA -0.705 54.231 54.840 0.161 0.000 0.826 187 L CB 1.850 44.037 42.059 0.214 0.000 1.268 187 L HN 0.733 nan 8.230 nan 0.000 0.407 188 D N 1.230 121.772 120.400 0.237 0.000 2.733 188 D HA 0.149 4.788 4.640 -0.001 0.000 0.262 188 D C -0.035 176.392 176.300 0.211 0.000 1.497 188 D CA 0.607 54.828 54.000 0.368 0.000 1.101 188 D CB 0.612 41.664 40.800 0.419 0.000 1.014 188 D HN 0.549 nan 8.370 nan 0.000 0.319 189 N N -1.239 117.498 118.700 0.061 0.000 2.471 189 N HA 0.485 5.224 4.740 -0.001 0.000 0.288 189 N C -0.816 174.686 175.510 -0.013 0.000 1.220 189 N CA -0.433 52.573 53.050 -0.074 0.000 0.893 189 N CB 2.367 40.755 38.487 -0.166 0.000 1.256 189 N HN 0.012 nan 8.380 nan 0.000 0.534 190 T N -1.028 113.511 114.554 -0.025 0.000 2.841 190 T HA 0.520 4.869 4.350 -0.001 0.000 0.296 190 T C -2.160 172.564 174.700 0.041 0.000 1.166 190 T CA -0.469 61.641 62.100 0.016 0.000 1.007 190 T CB 1.307 70.235 68.868 0.101 0.000 1.253 190 T HN 0.430 nan 8.240 nan 0.000 0.511 191 D N -0.571 119.874 120.400 0.076 0.000 2.694 191 D HA 0.614 5.253 4.640 -0.001 0.000 0.260 191 D C -1.435 175.031 176.300 0.277 0.000 1.250 191 D CA -0.186 53.924 54.000 0.183 0.000 0.763 191 D CB 2.084 43.053 40.800 0.282 0.000 1.311 191 D HN 0.864 nan 8.370 nan 0.000 0.420 192 A N 0.748 123.768 122.820 0.333 0.000 2.387 192 A HA 0.730 5.050 4.320 -0.001 0.000 0.303 192 A C -0.547 177.226 177.584 0.316 0.000 1.145 192 A CA -0.478 51.783 52.037 0.373 0.000 0.801 192 A CB 1.176 20.383 19.000 0.345 0.000 1.342 192 A HN 0.572 nan 8.150 nan 0.000 0.440 193 D N -1.385 119.186 120.400 0.286 0.000 2.478 193 D HA 0.294 4.934 4.640 -0.001 0.000 0.274 193 D C -0.671 175.685 176.300 0.092 0.000 1.234 193 D CA -0.008 54.063 54.000 0.119 0.000 1.069 193 D CB 0.025 40.915 40.800 0.150 0.000 1.113 193 D HN 0.343 nan 8.370 nan 0.000 0.571 194 Y N -1.536 118.749 120.300 -0.025 0.000 2.801 194 Y HA 0.256 4.806 4.550 -0.001 0.000 0.318 194 Y C 1.306 177.206 175.900 0.000 0.000 1.073 194 Y CA 0.011 58.104 58.100 -0.012 0.000 1.360 194 Y CB 0.121 38.548 38.460 -0.055 0.000 1.220 194 Y HN 0.605 nan 8.280 nan 0.000 0.536 195 T N -6.523 108.105 114.554 0.124 0.000 3.105 195 T HA 0.378 4.727 4.350 -0.001 0.000 0.257 195 T C 1.625 176.357 174.700 0.054 0.000 0.949 195 T CA 0.584 62.728 62.100 0.073 0.000 0.959 195 T CB 0.308 69.204 68.868 0.046 0.000 1.205 195 T HN 0.275 nan 8.240 nan 0.000 0.496 196 G N 1.603 110.450 108.800 0.078 0.000 2.163 196 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.213 196 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.213 196 G C 0.560 175.501 174.900 0.069 0.000 0.991 196 G CA 0.615 45.784 45.100 0.115 0.000 0.653 196 G HN 0.722 nan 8.290 nan 0.000 0.518 197 K N -1.073 119.279 120.400 -0.079 0.000 2.313 197 K HA 0.359 4.679 4.320 -0.001 0.000 0.197 197 K C -0.015 176.301 176.600 -0.474 0.000 1.061 197 K CA 0.208 56.286 56.287 -0.348 0.000 0.980 197 K CB 0.312 32.434 32.500 -0.631 0.000 0.888 197 K HN 0.306 nan 8.250 nan 0.000 0.502 198 Y N -0.182 120.161 120.300 0.072 0.000 2.485 198 Y HA 0.626 5.176 4.550 -0.001 0.000 0.345 198 Y C -0.522 175.445 175.900 0.111 0.000 0.998 198 Y CA -1.324 56.820 58.100 0.073 0.000 1.059 198 Y CB 2.273 40.826 38.460 0.155 0.000 1.234 198 Y HN -0.026 nan 8.280 nan 0.000 0.461 199 A N 1.278 124.173 122.820 0.125 0.000 2.459 199 A HA 0.766 5.086 4.320 -0.001 0.000 0.296 199 A C -0.760 176.681 177.584 -0.239 0.000 1.039 199 A CA -0.594 51.345 52.037 -0.163 0.000 0.698 199 A CB 1.069 19.591 19.000 -0.796 0.000 1.261 199 A HN 0.751 nan 8.150 nan 0.000 0.405 200 T N -0.959 113.335 114.554 -0.433 0.000 2.907 200 T HA 0.880 5.229 4.350 -0.001 0.000 0.292 200 T C -0.252 174.283 174.700 -0.275 0.000 1.043 200 T CA -0.595 61.231 62.100 -0.457 0.000 1.003 200 T CB 1.741 70.071 68.868 -0.897 0.000 1.084 200 T HN 0.786 nan 8.240 nan 0.000 0.483 201 S N 0.882 116.497 115.700 -0.142 0.000 2.569 201 S HA 0.795 5.265 4.470 -0.001 0.000 0.280 201 S C -0.038 174.583 174.600 0.034 0.000 1.111 201 S CA -0.982 57.202 58.200 -0.026 0.000 0.887 201 S CB 1.919 65.144 63.200 0.041 0.000 1.095 201 S HN 1.153 nan 8.310 nan 0.000 0.476 202 T N -1.536 113.058 114.554 0.068 0.000 2.902 202 T HA 0.697 5.047 4.350 -0.001 0.000 0.280 202 T C -0.181 174.596 174.700 0.127 0.000 0.992 202 T CA -0.774 61.385 62.100 0.098 0.000 1.015 202 T CB 1.111 70.026 68.868 0.079 0.000 1.044 202 T HN 0.778 nan 8.240 nan 0.000 0.520 203 C N 2.961 122.295 119.300 0.056 0.000 2.609 203 C HA 0.739 5.199 4.460 -0.001 0.000 0.313 203 C C 0.104 175.025 174.990 -0.114 0.000 1.175 203 C CA -0.780 58.183 59.018 -0.093 0.000 1.434 203 C CB -0.200 27.321 27.740 -0.364 0.000 2.005 203 C HN 1.071 nan 8.230 nan 0.000 0.471 204 Y N 2.727 122.953 120.300 -0.124 0.000 2.432 204 Y HA 0.506 5.056 4.550 -0.000 0.000 0.252 204 Y C 0.700 176.519 175.900 -0.135 0.000 1.097 204 Y CA 0.069 58.101 58.100 -0.114 0.000 1.250 204 Y CB -0.234 38.214 38.460 -0.021 0.000 1.245 204 Y HN 0.531 nan 8.280 nan 0.000 0.522 205 N N 1.371 119.750 118.700 -0.534 0.000 2.610 205 N HA 0.070 4.809 4.740 -0.001 0.000 0.309 205 N C 0.766 176.077 175.510 -0.330 0.000 1.536 205 N CA 0.648 53.473 53.050 -0.375 0.000 0.954 205 N CB 0.295 38.508 38.487 -0.457 0.000 1.310 205 N HN 0.426 nan 8.380 nan 0.000 0.502 206 S N -0.498 114.928 115.700 -0.456 0.000 2.465 206 S HA -0.125 4.345 4.470 -0.001 0.000 0.241 206 S C 1.024 175.490 174.600 -0.223 0.000 1.000 206 S CA 0.925 58.784 58.200 -0.568 0.000 0.964 206 S CB -0.076 62.492 63.200 -1.055 0.000 0.763 206 S HN 0.314 nan 8.310 nan 0.000 0.512 207 E N 0.916 121.014 120.200 -0.170 0.000 2.478 207 E HA 0.239 4.588 4.350 -0.001 0.000 0.194 207 E C 0.305 176.860 176.600 -0.076 0.000 1.045 207 E CA -0.218 56.129 56.400 -0.090 0.000 0.868 207 E CB -0.310 29.348 29.700 -0.070 0.000 0.885 207 E HN 0.416 nan 8.360 nan 0.000 0.505 208 R N 0.011 120.454 120.500 -0.096 0.000 3.225 208 R HA -0.205 4.134 4.340 -0.001 0.000 0.245 208 R C -0.632 175.627 176.300 -0.068 0.000 0.928 208 R CA 0.474 56.521 56.100 -0.088 0.000 0.632 208 R CB -1.978 28.258 30.300 -0.107 0.000 1.038 208 R HN 0.250 nan 8.270 nan 0.000 0.461 209 A N -0.503 122.284 122.820 -0.055 0.000 2.386 209 A HA 0.631 4.951 4.320 -0.001 0.000 0.308 209 A C 0.540 178.106 177.584 -0.030 0.000 1.128 209 A CA -0.275 51.739 52.037 -0.038 0.000 0.789 209 A CB 1.997 20.979 19.000 -0.030 0.000 1.325 209 A HN 0.090 nan 8.150 nan 0.000 0.437 210 V N 0.156 120.050 119.914 -0.034 0.000 2.922 210 V HA 0.087 4.207 4.120 -0.001 0.000 0.242 210 V C 0.456 176.530 176.094 -0.033 0.000 1.094 210 V CA 1.386 63.659 62.300 -0.045 0.000 1.106 210 V CB -0.385 31.399 31.823 -0.064 0.000 0.799 210 V HN 0.950 nan 8.190 nan 0.000 0.474 211 D N 0.327 120.711 120.400 -0.026 0.000 2.372 211 D HA -0.019 4.621 4.640 -0.001 0.000 0.243 211 D C 1.399 177.693 176.300 -0.010 0.000 1.121 211 D CA -0.143 53.844 54.000 -0.021 0.000 0.898 211 D CB 1.702 42.490 40.800 -0.019 0.000 1.202 211 D HN 0.286 nan 8.370 nan 0.000 0.428 212 L N 1.896 123.113 121.223 -0.010 0.000 1.997 212 L HA -0.327 4.012 4.340 -0.001 0.000 0.216 212 L C 2.637 179.506 176.870 -0.001 0.000 1.074 212 L CA 2.271 57.109 54.840 -0.004 0.000 0.763 212 L CB -0.560 41.493 42.059 -0.010 0.000 0.890 212 L HN 0.696 nan 8.230 nan 0.000 0.434 213 A N -0.274 122.543 122.820 -0.005 0.000 1.892 213 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 213 A C 2.283 179.863 177.584 -0.005 0.000 1.188 213 A CA 1.953 53.987 52.037 -0.005 0.000 0.631 213 A CB -1.432 17.564 19.000 -0.007 0.000 0.822 213 A HN 0.557 nan 8.150 nan 0.000 0.447 214 G N -0.848 107.948 108.800 -0.007 0.000 2.432 214 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 214 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 214 G C 1.649 176.543 174.900 -0.010 0.000 1.135 214 G CA 1.978 47.071 45.100 -0.011 0.000 0.767 214 G HN 0.787 nan 8.290 nan 0.000 0.550 215 T N -2.104 112.455 114.554 0.007 0.000 3.085 215 T HA 0.185 4.534 4.350 -0.001 0.000 0.263 215 T C 2.060 176.776 174.700 0.026 0.000 1.127 215 T CA 0.668 62.787 62.100 0.031 0.000 1.103 215 T CB -0.108 68.822 68.868 0.104 0.000 0.921 215 T HN 0.269 nan 8.240 nan 0.000 0.510 216 M N -0.495 119.110 119.600 0.008 0.000 2.333 216 M HA 0.394 4.874 4.480 -0.001 0.000 0.257 216 M C 2.196 178.490 176.300 -0.010 0.000 1.078 216 M CA -0.384 54.916 55.300 -0.000 0.000 1.005 216 M CB 0.220 32.819 32.600 -0.002 0.000 1.444 216 M HN 0.094 nan 8.290 nan 0.000 0.496 217 R N 1.767 122.258 120.500 -0.014 0.000 2.148 217 R HA -0.107 4.233 4.340 -0.001 0.000 0.230 217 R C 0.291 176.582 176.300 -0.016 0.000 1.120 217 R CA 1.538 57.629 56.100 -0.015 0.000 0.902 217 R CB -0.173 30.117 30.300 -0.018 0.000 0.839 217 R HN 0.327 nan 8.270 nan 0.000 0.431 218 N N 1.749 120.433 118.700 -0.027 0.000 2.412 218 N HA -0.077 4.663 4.740 -0.001 0.000 0.254 218 N C 0.093 175.592 175.510 -0.018 0.000 1.232 218 N CA 0.402 53.438 53.050 -0.023 0.000 0.880 218 N CB 0.564 39.027 38.487 -0.040 0.000 1.076 218 N HN 0.278 nan 8.380 nan 0.000 0.458 219 D N 1.360 121.758 120.400 -0.004 0.000 2.310 219 D HA -0.039 4.601 4.640 -0.001 0.000 0.212 219 D C 0.128 176.430 176.300 0.002 0.000 0.965 219 D CA 1.216 55.217 54.000 0.001 0.000 0.879 219 D CB 0.552 41.358 40.800 0.009 0.000 0.921 219 D HN 0.388 nan 8.370 nan 0.000 0.510 220 R N 0.235 120.737 120.500 0.003 0.000 2.604 220 R HA 0.247 4.587 4.340 -0.001 0.000 0.281 220 R C -0.377 175.911 176.300 -0.020 0.000 1.020 220 R CA -0.609 55.498 56.100 0.011 0.000 0.899 220 R CB 2.496 32.826 30.300 0.050 0.000 1.205 220 R HN -0.135 nan 8.270 nan 0.000 0.450 221 D N 0.774 121.136 120.400 -0.064 0.000 2.540 221 D HA 0.423 5.062 4.640 -0.001 0.000 0.229 221 D C -0.255 176.038 176.300 -0.012 0.000 1.258 221 D CA 0.287 54.127 54.000 -0.267 0.000 1.158 221 D CB 0.594 41.189 40.800 -0.342 0.000 1.178 221 D HN 0.408 nan 8.370 nan 0.000 0.541 222 W N -1.337 119.995 121.300 0.055 0.000 2.791 222 W HA 0.540 5.200 4.660 -0.001 0.000 0.419 222 W C -2.213 174.321 176.519 0.024 0.000 1.082 222 W CA -0.850 56.525 57.345 0.049 0.000 1.154 222 W CB 0.240 29.760 29.460 0.101 0.000 1.472 222 W HN -0.037 nan 8.180 nan 0.000 0.584 223 V N 2.594 122.752 119.914 0.407 0.000 2.419 223 V HA 0.432 4.552 4.120 -0.001 0.000 0.287 223 V C -0.423 175.653 176.094 -0.030 0.000 1.017 223 V CA -1.012 61.386 62.300 0.163 0.000 0.844 223 V CB 1.147 32.988 31.823 0.029 0.000 1.011 223 V HN 0.537 nan 8.190 nan 0.000 0.429 224 V N 5.772 125.620 119.914 -0.110 0.000 2.508 224 V HA 0.278 4.397 4.120 -0.001 0.000 0.281 224 V C 0.197 175.873 176.094 -0.698 0.000 1.041 224 V CA -0.295 61.620 62.300 -0.642 0.000 1.016 224 V CB 1.314 32.671 31.823 -0.777 0.000 0.984 224 V HN 0.553 nan 8.190 nan 0.000 0.478 225 V N 5.975 125.460 119.914 -0.716 0.000 2.347 225 V HA 0.453 4.572 4.120 -0.001 0.000 0.280 225 V C -0.402 175.478 176.094 -0.357 0.000 1.021 225 V CA -0.384 61.666 62.300 -0.417 0.000 0.847 225 V CB 0.989 32.712 31.823 -0.166 0.000 0.990 225 V HN 0.638 nan 8.190 nan 0.000 0.444 226 F N 3.069 122.931 119.950 -0.147 0.000 2.410 226 F HA 0.398 4.924 4.527 -0.001 0.000 0.349 226 F C 0.862 176.676 175.800 0.023 0.000 1.117 226 F CA -0.615 57.350 58.000 -0.059 0.000 1.104 226 F CB 0.915 39.783 39.000 -0.220 0.000 1.122 226 F HN 0.399 nan 8.300 nan 0.000 0.483 227 N N 3.376 122.164 118.700 0.148 0.000 2.719 227 N HA 0.084 4.824 4.740 -0.001 0.000 0.243 227 N C 0.934 176.428 175.510 -0.027 0.000 1.104 227 N CA 0.088 53.068 53.050 -0.116 0.000 0.981 227 N CB 0.824 39.109 38.487 -0.336 0.000 1.290 227 N HN 0.479 nan 8.380 nan 0.000 0.513 228 V N 2.819 122.727 119.914 -0.011 0.000 2.324 228 V HA -0.252 3.868 4.120 -0.001 0.000 0.250 228 V C 2.281 178.354 176.094 -0.035 0.000 1.060 228 V CA 1.786 64.106 62.300 0.034 0.000 1.042 228 V CB -0.536 31.399 31.823 0.186 0.000 0.650 228 V HN 0.649 nan 8.190 nan 0.000 0.450 229 E N -0.036 120.121 120.200 -0.071 0.000 2.070 229 E HA -0.261 4.088 4.350 -0.001 0.000 0.197 229 E C 2.514 179.093 176.600 -0.036 0.000 1.004 229 E CA 1.622 57.989 56.400 -0.055 0.000 0.805 229 E CB -0.068 29.555 29.700 -0.128 0.000 0.744 229 E HN 0.523 nan 8.360 nan 0.000 0.451 230 R N -0.140 120.346 120.500 -0.023 0.000 2.090 230 R HA -0.046 4.293 4.340 -0.001 0.000 0.228 230 R C 2.475 178.865 176.300 0.150 0.000 1.110 230 R CA 1.110 57.259 56.100 0.082 0.000 0.973 230 R CB -0.176 30.199 30.300 0.125 0.000 0.869 230 R HN 0.292 nan 8.270 nan 0.000 0.440 231 I N 0.566 121.121 120.570 -0.024 0.000 2.179 231 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 231 I C 2.624 178.397 176.117 -0.574 0.000 1.088 231 I CA 1.270 62.288 61.300 -0.471 0.000 1.357 231 I CB -0.471 36.995 38.000 -0.891 0.000 1.051 231 I HN 0.161 nan 8.210 nan 0.000 0.409 232 A N 0.933 123.502 122.820 -0.418 0.000 1.877 232 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 232 A C 2.578 180.118 177.584 -0.073 0.000 1.186 232 A CA 1.938 53.849 52.037 -0.210 0.000 0.620 232 A CB -0.913 18.129 19.000 0.069 0.000 0.822 232 A HN 0.428 nan 8.150 nan 0.000 0.443 233 A N -0.091 122.718 122.820 -0.019 0.000 1.883 233 A HA 0.100 4.420 4.320 -0.001 0.000 0.217 233 A C 2.537 180.154 177.584 0.054 0.000 1.186 233 A CA 2.381 54.437 52.037 0.032 0.000 0.624 233 A CB -1.131 17.894 19.000 0.042 0.000 0.822 233 A HN 1.113 nan 8.150 nan 0.000 0.444 234 A N -0.564 122.300 122.820 0.074 0.000 1.883 234 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 234 A C 2.252 179.908 177.584 0.120 0.000 1.186 234 A CA 1.977 54.093 52.037 0.133 0.000 0.624 234 A CB -1.076 18.076 19.000 0.253 0.000 0.822 234 A HN 0.458 nan 8.150 nan 0.000 0.444 235 V N 0.407 120.334 119.914 0.021 0.000 2.295 235 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 235 V C 2.545 178.762 176.094 0.206 0.000 1.049 235 V CA 2.400 64.768 62.300 0.113 0.000 1.024 235 V CB -0.730 31.004 31.823 -0.147 0.000 0.648 235 V HN 0.704 nan 8.190 nan 0.000 0.447 236 K N 0.570 121.036 120.400 0.111 0.000 2.147 236 K HA -0.151 4.169 4.320 -0.001 0.000 0.205 236 K C 1.945 178.620 176.600 0.124 0.000 1.049 236 K CA 1.549 57.906 56.287 0.117 0.000 0.936 236 K CB -0.266 32.282 32.500 0.080 0.000 0.722 236 K HN 0.457 nan 8.250 nan 0.000 0.446 237 A N 0.040 122.928 122.820 0.113 0.000 2.206 237 A HA 0.152 4.471 4.320 -0.001 0.000 0.211 237 A C 1.389 179.011 177.584 0.063 0.000 1.158 237 A CA 0.970 53.054 52.037 0.080 0.000 0.761 237 A CB -0.434 18.605 19.000 0.065 0.000 0.801 237 A HN 0.586 nan 8.150 nan 0.000 0.473 238 G N -0.555 108.319 108.800 0.124 0.000 2.159 238 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.256 238 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.256 238 G C -0.070 174.635 174.900 -0.325 0.000 0.977 238 G CA 0.122 45.179 45.100 -0.071 0.000 0.652 238 G HN 0.473 nan 8.290 nan 0.000 0.531 239 N N 0.865 119.537 118.700 -0.047 0.000 2.968 239 N HA 0.531 5.271 4.740 -0.001 0.000 0.271 239 N C -0.210 175.344 175.510 0.072 0.000 1.174 239 N CA 0.793 53.823 53.050 -0.033 0.000 1.096 239 N CB -0.415 38.119 38.487 0.077 0.000 1.403 239 N HN 0.692 nan 8.380 nan 0.000 0.522 240 F N -1.595 118.366 119.950 0.018 0.000 2.817 240 F HA 0.594 5.120 4.527 -0.001 0.000 0.317 240 F C -0.864 174.945 175.800 0.015 0.000 1.168 240 F CA -1.258 56.745 58.000 0.004 0.000 0.911 240 F CB 1.265 40.255 39.000 -0.016 0.000 1.337 240 F HN -0.262 nan 8.300 nan 0.000 0.464 241 K N -0.203 120.407 120.400 0.350 0.000 2.349 241 K HA 0.791 5.110 4.320 -0.001 0.000 0.243 241 K C -1.287 175.486 176.600 0.287 0.000 1.058 241 K CA -0.912 55.511 56.287 0.227 0.000 0.871 241 K CB 2.425 34.988 32.500 0.106 0.000 1.337 241 K HN 0.905 nan 8.250 nan 0.000 0.469 242 T N -1.587 113.074 114.554 0.180 0.000 2.893 242 T HA 0.644 4.993 4.350 -0.001 0.000 0.291 242 T C -0.287 174.466 174.700 0.088 0.000 1.028 242 T CA -0.813 61.370 62.100 0.139 0.000 0.995 242 T CB 0.687 69.637 68.868 0.138 0.000 1.051 242 T HN 0.370 nan 8.240 nan 0.000 0.470 243 I N 2.374 122.987 120.570 0.073 0.000 2.404 243 I HA 0.585 4.755 4.170 -0.001 0.000 0.293 243 I C 1.316 177.465 176.117 0.053 0.000 0.992 243 I CA -0.382 60.954 61.300 0.059 0.000 1.149 243 I CB 1.150 39.186 38.000 0.060 0.000 1.315 243 I HN 1.175 nan 8.210 nan 0.000 0.446 244 G N 5.582 114.410 108.800 0.047 0.000 2.583 244 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.292 244 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.292 244 G C 0.361 175.284 174.900 0.039 0.000 1.203 244 G CA 0.446 45.571 45.100 0.042 0.000 0.987 244 G HN 0.646 nan 8.290 nan 0.000 0.554 245 D N 0.785 121.206 120.400 0.035 0.000 2.349 245 D HA 0.264 4.904 4.640 -0.001 0.000 0.214 245 D C 1.220 177.538 176.300 0.031 0.000 1.063 245 D CA 0.928 54.946 54.000 0.031 0.000 0.847 245 D CB 0.438 41.253 40.800 0.024 0.000 0.933 245 D HN 0.395 nan 8.370 nan 0.000 0.513 246 S N 0.657 116.378 115.700 0.035 0.000 2.565 246 S HA 0.105 4.574 4.470 -0.001 0.000 0.274 246 S C 1.121 175.744 174.600 0.039 0.000 1.309 246 S CA -0.368 57.851 58.200 0.031 0.000 1.043 246 S CB 0.948 64.165 63.200 0.029 0.000 0.939 246 S HN -0.163 nan 8.310 nan 0.000 0.504 247 K N 2.743 123.162 120.400 0.032 0.000 2.374 247 K HA 0.188 4.508 4.320 -0.001 0.000 0.196 247 K C 0.014 176.622 176.600 0.013 0.000 1.023 247 K CA 0.076 56.390 56.287 0.044 0.000 1.103 247 K CB -0.102 32.422 32.500 0.041 0.000 0.848 247 K HN 0.474 nan 8.250 nan 0.000 0.528 248 V N 4.232 124.139 119.914 -0.012 0.000 2.617 248 V HA -0.007 4.113 4.120 -0.001 0.000 0.304 248 V C -2.240 173.784 176.094 -0.116 0.000 1.040 248 V CA -1.017 61.246 62.300 -0.062 0.000 1.149 248 V CB 0.016 31.814 31.823 -0.042 0.000 0.914 248 V HN 0.035 nan 8.190 nan 0.000 0.487 249 P HA 0.181 nan 4.420 nan 0.000 0.271 249 P C -0.818 176.374 177.300 -0.180 0.000 1.233 249 P CA 0.172 62.890 63.100 -0.638 0.000 0.764 249 P CB 0.476 31.566 31.700 -1.016 0.000 0.825 250 V N 5.404 125.315 119.914 -0.004 0.000 2.409 250 V HA 0.394 4.513 4.120 -0.001 0.000 0.291 250 V C 0.370 176.510 176.094 0.077 0.000 1.020 250 V CA -0.740 61.596 62.300 0.060 0.000 0.848 250 V CB 1.911 33.783 31.823 0.081 0.000 0.990 250 V HN 0.350 nan 8.190 nan 0.000 0.430 251 V N 0.587 120.485 119.914 -0.026 0.000 2.667 251 V HA 0.671 4.791 4.120 -0.001 0.000 0.308 251 V C -0.456 175.619 176.094 -0.032 0.000 1.048 251 V CA -0.688 61.542 62.300 -0.117 0.000 0.928 251 V CB 2.076 33.544 31.823 -0.592 0.000 1.004 251 V HN 0.747 nan 8.190 nan 0.000 0.444 252 D N 2.662 123.113 120.400 0.086 0.000 2.280 252 D HA 0.496 5.136 4.640 -0.001 0.000 0.243 252 D C 0.640 177.101 176.300 0.269 0.000 1.129 252 D CA 0.357 54.443 54.000 0.143 0.000 0.848 252 D CB 1.812 42.681 40.800 0.115 0.000 1.107 252 D HN 0.980 nan 8.370 nan 0.000 0.471 253 G N 3.553 112.492 108.800 0.232 0.000 3.774 253 G HA2 0.089 4.048 3.960 -0.001 0.000 0.287 253 G HA3 0.089 4.048 3.960 -0.001 0.000 0.287 253 G C 0.545 175.581 174.900 0.226 0.000 1.030 253 G CA -0.332 44.929 45.100 0.268 0.000 0.824 253 G HN 0.304 nan 8.290 nan 0.000 0.518 254 R N 0.222 120.827 120.500 0.174 0.000 2.459 254 R HA 0.526 4.866 4.340 -0.001 0.000 0.281 254 R C 1.284 177.610 176.300 0.044 0.000 1.050 254 R CA 0.604 56.778 56.100 0.123 0.000 1.055 254 R CB 1.031 31.365 30.300 0.058 0.000 1.045 254 R HN 0.300 nan 8.270 nan 0.000 0.495 255 G N 2.037 110.786 108.800 -0.085 0.000 2.582 255 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.288 255 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.288 255 G C -0.593 174.271 174.900 -0.061 0.000 1.247 255 G CA -0.169 44.852 45.100 -0.132 0.000 0.972 255 G HN 0.682 nan 8.290 nan 0.000 0.557 256 E N 1.007 121.167 120.200 -0.066 0.000 2.159 256 E HA 0.450 4.800 4.350 -0.001 0.000 0.272 256 E C 0.016 176.583 176.600 -0.055 0.000 1.138 256 E CA 0.579 56.938 56.400 -0.069 0.000 0.915 256 E CB 0.741 30.397 29.700 -0.074 0.000 1.028 256 E HN 0.541 nan 8.360 nan 0.000 0.423 257 S N 2.115 117.778 115.700 -0.061 0.000 2.549 257 S HA 0.094 4.564 4.470 -0.001 0.000 0.280 257 S C 0.688 175.192 174.600 -0.161 0.000 1.109 257 S CA -0.795 57.358 58.200 -0.078 0.000 0.905 257 S CB 1.212 64.451 63.200 0.066 0.000 1.081 257 S HN 0.624 nan 8.310 nan 0.000 0.477 258 E N 2.270 122.273 120.200 -0.328 0.000 2.427 258 E HA -0.048 4.302 4.350 -0.001 0.000 0.196 258 E C 0.374 176.903 176.600 -0.119 0.000 1.028 258 E CA 0.897 57.124 56.400 -0.287 0.000 0.864 258 E CB -0.276 29.158 29.700 -0.443 0.000 0.813 258 E HN 0.652 nan 8.360 nan 0.000 0.514 259 F N 2.431 122.448 119.950 0.112 0.000 2.317 259 F HA 0.086 4.613 4.527 -0.001 0.000 0.293 259 F C 1.590 177.492 175.800 0.170 0.000 1.085 259 F CA 0.854 58.935 58.000 0.134 0.000 1.390 259 F CB -0.294 38.746 39.000 0.066 0.000 1.077 259 F HN -0.025 nan 8.300 nan 0.000 0.517 260 T N -1.536 113.094 114.554 0.127 0.000 2.930 260 T HA 0.781 5.131 4.350 -0.001 0.000 0.290 260 T C -0.833 173.566 174.700 -0.501 0.000 1.052 260 T CA -0.871 61.067 62.100 -0.270 0.000 1.017 260 T CB 2.697 71.195 68.868 -0.617 0.000 1.137 260 T HN -0.084 nan 8.240 nan 0.000 0.511 261 R N 0.744 120.812 120.500 -0.721 0.000 2.531 261 R HA 0.420 4.760 4.340 -0.001 0.000 0.293 261 R C -1.980 173.926 176.300 -0.656 0.000 1.124 261 R CA -0.607 55.086 56.100 -0.679 0.000 0.945 261 R CB 0.654 30.445 30.300 -0.848 0.000 1.195 261 R HN 0.734 nan 8.270 nan 0.000 0.433 262 Y N 4.306 124.307 120.300 -0.498 0.000 2.477 262 Y HA 0.379 4.929 4.550 -0.001 0.000 0.349 262 Y C 0.569 176.300 175.900 -0.282 0.000 0.977 262 Y CA -0.494 57.277 58.100 -0.548 0.000 1.214 262 Y CB 0.637 38.512 38.460 -0.976 0.000 1.124 262 Y HN 0.372 nan 8.280 nan 0.000 0.521 263 I N 6.840 127.386 120.570 -0.039 0.000 2.287 263 I HA 0.244 4.414 4.170 -0.001 0.000 0.290 263 I C -2.298 173.909 176.117 0.150 0.000 1.069 263 I CA -2.218 59.098 61.300 0.027 0.000 1.237 263 I CB 0.744 38.740 38.000 -0.008 0.000 1.418 263 I HN 0.316 nan 8.210 nan 0.000 0.481 264 P HA -0.060 nan 4.420 nan 0.000 0.259 264 P C -0.795 176.590 177.300 0.142 0.000 1.163 264 P CA 0.401 63.627 63.100 0.210 0.000 0.760 264 P CB 0.425 32.212 31.700 0.145 0.000 0.762 265 V N 6.717 126.712 119.914 0.135 0.000 2.709 265 V HA 0.348 4.468 4.120 -0.001 0.000 0.308 265 V C -2.289 173.828 176.094 0.039 0.000 1.062 265 V CA -2.428 59.916 62.300 0.073 0.000 0.901 265 V CB 2.236 34.102 31.823 0.072 0.000 1.003 265 V HN 0.366 nan 8.190 nan 0.000 0.425 266 P HA -0.012 nan 4.420 nan 0.000 0.260 266 P C -0.222 177.077 177.300 -0.002 0.000 1.172 266 P CA 0.209 63.313 63.100 0.006 0.000 0.760 266 P CB 0.097 31.793 31.700 -0.005 0.000 0.773 267 K N 3.723 124.119 120.400 -0.006 0.000 3.739 267 K HA -0.280 4.040 4.320 -0.001 0.000 0.450 267 K C 0.084 176.681 176.600 -0.006 0.000 1.060 267 K CA 0.678 56.958 56.287 -0.011 0.000 0.888 267 K CB -0.852 31.641 32.500 -0.011 0.000 1.828 267 K HN 0.578 nan 8.250 nan 0.000 0.288 268 N N 0.191 118.894 118.700 0.005 0.000 2.700 268 N HA -0.157 4.583 4.740 -0.001 0.000 0.265 268 N C -2.514 173.029 175.510 0.056 0.000 0.975 268 N CA 0.957 54.042 53.050 0.058 0.000 0.800 268 N CB -0.772 37.740 38.487 0.042 0.000 0.908 268 N HN 0.405 nan 8.380 nan 0.000 0.551 269 P HA -0.054 nan 4.420 nan 0.000 0.267 269 P C 0.438 177.812 177.300 0.123 0.000 1.200 269 P CA 0.440 63.575 63.100 0.058 0.000 0.772 269 P CB 1.028 32.755 31.700 0.046 0.000 0.855 270 H N 2.165 121.205 119.070 -0.050 0.000 2.570 270 H HA 0.324 4.879 4.556 -0.001 0.000 0.268 270 H C 0.938 176.221 175.328 -0.075 0.000 1.175 270 H CA 0.965 56.971 56.048 -0.071 0.000 1.686 270 H CB -0.364 29.282 29.762 -0.193 0.000 1.456 270 H HN 0.502 nan 8.280 nan 0.000 0.592 271 G N 0.870 109.426 108.800 -0.407 0.000 2.527 271 G HA2 0.391 4.351 3.960 -0.001 0.000 0.248 271 G HA3 0.391 4.351 3.960 -0.001 0.000 0.248 271 G C -1.080 173.792 174.900 -0.046 0.000 1.231 271 G CA -0.235 44.658 45.100 -0.345 0.000 0.838 271 G HN 0.469 nan 8.290 nan 0.000 0.570 272 L N 1.464 122.723 121.223 0.060 0.000 2.491 272 L HA 0.443 4.782 4.340 -0.001 0.000 0.267 272 L C -1.403 175.609 176.870 0.235 0.000 0.971 272 L CA -0.911 54.009 54.840 0.134 0.000 0.857 272 L CB 1.527 43.629 42.059 0.072 0.000 1.226 272 L HN 0.621 nan 8.230 nan 0.000 0.408 273 N N 1.650 120.552 118.700 0.336 0.000 2.240 273 N HA 0.607 5.347 4.740 -0.001 0.000 0.302 273 N C -1.308 174.530 175.510 0.546 0.000 1.106 273 N CA -0.669 52.646 53.050 0.441 0.000 0.778 273 N CB 2.288 41.041 38.487 0.443 0.000 1.431 273 N HN 0.271 nan 8.380 nan 0.000 0.479 274 T N 0.341 115.165 114.554 0.451 0.000 2.795 274 T HA 0.415 4.765 4.350 -0.001 0.000 0.282 274 T C 0.178 174.814 174.700 -0.107 0.000 0.980 274 T CA -0.785 61.435 62.100 0.201 0.000 1.012 274 T CB 0.441 69.391 68.868 0.136 0.000 0.936 274 T HN 0.596 nan 8.240 nan 0.000 0.457 275 S N 3.685 119.056 115.700 -0.547 0.000 2.572 275 S HA 0.150 4.620 4.470 -0.001 0.000 0.279 275 S C -1.861 172.363 174.600 -0.627 0.000 1.341 275 S CA -1.089 56.354 58.200 -1.261 0.000 1.043 275 S CB 0.574 63.304 63.200 -0.784 0.000 0.887 275 S HN 0.341 nan 8.310 nan 0.000 0.516 276 P HA -0.148 nan 4.420 nan 0.000 0.217 276 P C 0.751 177.689 177.300 -0.602 0.000 1.148 276 P CA 1.583 64.490 63.100 -0.322 0.000 0.828 276 P CB -0.227 31.375 31.700 -0.163 0.000 0.783 277 D N -1.775 118.322 120.400 -0.504 0.000 2.350 277 D HA 0.011 4.651 4.640 -0.001 0.000 0.216 277 D C 1.328 177.248 176.300 -0.632 0.000 0.968 277 D CA 0.917 54.632 54.000 -0.475 0.000 0.894 277 D CB -1.260 39.352 40.800 -0.313 0.000 0.909 277 D HN 0.174 nan 8.370 nan 0.000 0.520 278 G N 0.989 109.320 108.800 -0.782 0.000 2.198 278 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.260 278 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.260 278 G C 0.641 175.295 174.900 -0.410 0.000 1.025 278 G CA 0.663 45.380 45.100 -0.637 0.000 0.769 278 G HN 0.664 nan 8.290 nan 0.000 0.507 279 K N -1.684 118.413 120.400 -0.506 0.000 2.483 279 K HA 0.456 4.775 4.320 -0.001 0.000 0.206 279 K C -0.486 175.688 176.600 -0.710 0.000 1.086 279 K CA -0.511 55.413 56.287 -0.605 0.000 1.052 279 K CB 0.894 32.960 32.500 -0.724 0.000 0.904 279 K HN 0.250 nan 8.250 nan 0.000 0.557 280 Y N 0.400 120.551 120.300 -0.248 0.000 2.354 280 Y HA 0.417 4.966 4.550 -0.001 0.000 0.330 280 Y C -1.101 174.729 175.900 -0.116 0.000 1.011 280 Y CA -1.675 56.342 58.100 -0.138 0.000 1.099 280 Y CB 1.210 39.636 38.460 -0.056 0.000 1.179 280 Y HN -0.110 nan 8.280 nan 0.000 0.442 281 F N 4.428 124.525 119.950 0.245 0.000 2.361 281 F HA 0.492 5.019 4.527 -0.001 0.000 0.364 281 F C -0.033 175.887 175.800 0.201 0.000 1.120 281 F CA -1.131 56.983 58.000 0.191 0.000 1.102 281 F CB 0.616 39.688 39.000 0.120 0.000 1.183 281 F HN 0.287 nan 8.300 nan 0.000 0.476 282 I N 4.039 124.876 120.570 0.445 0.000 2.330 282 I HA 0.481 4.650 4.170 -0.001 0.000 0.289 282 I C 0.011 176.274 176.117 0.243 0.000 1.001 282 I CA -0.603 60.896 61.300 0.331 0.000 1.193 282 I CB 1.082 39.321 38.000 0.397 0.000 1.345 282 I HN 0.586 nan 8.210 nan 0.000 0.461 283 A N 6.789 129.704 122.820 0.157 0.000 2.303 283 A HA 0.540 4.859 4.320 -0.001 0.000 0.317 283 A C -0.389 177.228 177.584 0.055 0.000 1.149 283 A CA -0.716 51.377 52.037 0.094 0.000 0.822 283 A CB 0.578 19.619 19.000 0.068 0.000 1.131 283 A HN 0.714 nan 8.150 nan 0.000 0.493 284 N N 1.314 120.027 118.700 0.022 0.000 2.426 284 N HA 0.246 4.986 4.740 -0.001 0.000 0.275 284 N C 1.075 176.580 175.510 -0.008 0.000 1.019 284 N CA 0.348 53.395 53.050 -0.006 0.000 0.941 284 N CB 1.852 40.310 38.487 -0.047 0.000 1.123 284 N HN 0.795 nan 8.380 nan 0.000 0.486 285 G N 1.376 110.161 108.800 -0.024 0.000 2.471 285 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 285 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 285 G C 1.131 176.017 174.900 -0.022 0.000 1.125 285 G CA 0.692 45.778 45.100 -0.023 0.000 0.775 285 G HN 0.806 nan 8.290 nan 0.000 0.548 286 K N -1.267 119.116 120.400 -0.029 0.000 9.946 286 K HA -0.351 3.969 4.320 -0.001 0.000 0.466 286 K C 1.935 178.514 176.600 -0.036 0.000 0.475 286 K CA 2.243 58.501 56.287 -0.049 0.000 1.661 286 K CB -1.482 30.965 32.500 -0.089 0.000 0.801 286 K HN 0.218 nan 8.250 nan 0.000 1.159 287 L N 0.686 121.885 121.223 -0.040 0.000 2.275 287 L HA -0.006 4.333 4.340 -0.001 0.000 0.215 287 L C 1.238 178.099 176.870 -0.015 0.000 1.119 287 L CA 0.839 55.663 54.840 -0.026 0.000 0.790 287 L CB -0.092 41.951 42.059 -0.027 0.000 0.919 287 L HN 0.291 nan 8.230 nan 0.000 0.443 288 S N 0.604 116.293 115.700 -0.019 0.000 2.442 288 S HA 0.298 4.768 4.470 -0.001 0.000 0.297 288 S C -1.737 172.845 174.600 -0.029 0.000 1.131 288 S CA -1.644 56.544 58.200 -0.020 0.000 1.092 288 S CB 1.155 64.342 63.200 -0.021 0.000 0.998 288 S HN -0.053 nan 8.310 nan 0.000 0.478 289 P HA 0.033 nan 4.420 nan 0.000 0.274 289 P C 0.379 177.633 177.300 -0.077 0.000 1.370 289 P CA 0.323 63.401 63.100 -0.037 0.000 0.760 289 P CB -0.769 30.917 31.700 -0.024 0.000 1.308 290 T N -3.550 110.951 114.554 -0.089 0.000 2.804 290 T HA 0.619 4.968 4.350 -0.001 0.000 0.272 290 T C -0.408 174.196 174.700 -0.159 0.000 0.986 290 T CA -0.887 61.124 62.100 -0.148 0.000 0.999 290 T CB 1.617 70.406 68.868 -0.132 0.000 1.307 290 T HN -0.207 nan 8.240 nan 0.000 0.586 291 V N 1.050 120.834 119.914 -0.216 0.000 2.655 291 V HA 0.466 4.586 4.120 -0.001 0.000 0.301 291 V C -0.659 175.340 176.094 -0.159 0.000 1.082 291 V CA -0.872 61.328 62.300 -0.168 0.000 0.899 291 V CB 2.198 33.880 31.823 -0.235 0.000 1.014 291 V HN 1.074 nan 8.190 nan 0.000 0.429 292 S N 3.756 119.414 115.700 -0.071 0.000 2.452 292 S HA 0.532 5.002 4.470 -0.001 0.000 0.284 292 S C -0.181 174.419 174.600 0.001 0.000 1.171 292 S CA -0.470 57.691 58.200 -0.067 0.000 1.064 292 S CB 1.407 64.593 63.200 -0.023 0.000 0.967 292 S HN 0.482 nan 8.310 nan 0.000 0.484 293 V N 5.647 125.534 119.914 -0.044 0.000 2.333 293 V HA 0.373 4.493 4.120 -0.001 0.000 0.274 293 V C -0.043 176.096 176.094 0.076 0.000 1.028 293 V CA -0.461 61.855 62.300 0.027 0.000 0.851 293 V CB 0.426 32.198 31.823 -0.085 0.000 1.000 293 V HN 0.767 nan 8.190 nan 0.000 0.456 294 I N 3.984 124.672 120.570 0.196 0.000 2.353 294 I HA 0.582 4.751 4.170 -0.001 0.000 0.293 294 I C 0.684 176.984 176.117 0.305 0.000 0.992 294 I CA -0.431 61.003 61.300 0.222 0.000 1.268 294 I CB 1.668 39.814 38.000 0.243 0.000 1.387 294 I HN 0.638 nan 8.210 nan 0.000 0.478 295 A N 6.882 129.846 122.820 0.240 0.000 2.302 295 A HA 0.447 4.766 4.320 -0.001 0.000 0.295 295 A C 0.915 178.544 177.584 0.075 0.000 1.235 295 A CA -0.380 51.767 52.037 0.184 0.000 0.876 295 A CB 0.018 19.116 19.000 0.163 0.000 1.133 295 A HN 0.839 nan 8.150 nan 0.000 0.533 296 I N 1.396 121.952 120.570 -0.023 0.000 2.614 296 I HA -0.160 4.009 4.170 -0.001 0.000 0.258 296 I C 1.934 178.041 176.117 -0.017 0.000 1.189 296 I CA 1.008 62.290 61.300 -0.030 0.000 1.462 296 I CB -0.087 37.817 38.000 -0.160 0.000 1.092 296 I HN 0.778 nan 8.210 nan 0.000 0.442 297 D N 1.862 122.233 120.400 -0.048 0.000 2.178 297 D HA -0.173 4.467 4.640 -0.001 0.000 0.201 297 D C 1.763 178.073 176.300 0.017 0.000 0.980 297 D CA 1.149 55.134 54.000 -0.024 0.000 0.842 297 D CB 0.241 41.007 40.800 -0.057 0.000 0.948 297 D HN 0.385 nan 8.370 nan 0.000 0.472 298 K N -0.137 120.278 120.400 0.024 0.000 2.393 298 K HA 0.144 4.464 4.320 -0.001 0.000 0.193 298 K C 2.138 178.757 176.600 0.031 0.000 1.026 298 K CA -0.265 56.043 56.287 0.035 0.000 1.064 298 K CB 0.551 33.077 32.500 0.043 0.000 0.833 298 K HN 0.135 nan 8.250 nan 0.000 0.521 299 L N 1.385 122.604 121.223 -0.007 0.000 2.079 299 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 299 L C 1.685 178.596 176.870 0.069 0.000 1.081 299 L CA 1.211 55.998 54.840 -0.090 0.000 0.752 299 L CB -0.376 41.379 42.059 -0.507 0.000 0.896 299 L HN 0.252 nan 8.230 nan 0.000 0.433 300 D N -0.050 120.439 120.400 0.148 0.000 2.117 300 D HA -0.186 4.454 4.640 -0.001 0.000 0.197 300 D C 1.751 178.158 176.300 0.180 0.000 0.987 300 D CA 1.253 55.389 54.000 0.225 0.000 0.829 300 D CB -0.108 40.795 40.800 0.172 0.000 0.961 300 D HN 0.369 nan 8.370 nan 0.000 0.460 301 D N 0.387 120.856 120.400 0.115 0.000 2.144 301 D HA -0.110 4.529 4.640 -0.001 0.000 0.200 301 D C 2.255 178.597 176.300 0.071 0.000 0.978 301 D CA 0.214 54.262 54.000 0.079 0.000 0.833 301 D CB -0.109 40.721 40.800 0.049 0.000 0.961 301 D HN 0.128 nan 8.370 nan 0.000 0.470 302 L N 0.134 121.398 121.223 0.069 0.000 2.042 302 L HA -0.140 4.200 4.340 -0.001 0.000 0.210 302 L C 1.695 178.528 176.870 -0.060 0.000 1.076 302 L CA 1.498 56.330 54.840 -0.014 0.000 0.749 302 L CB -0.643 41.385 42.059 -0.053 0.000 0.893 302 L HN -0.121 nan 8.230 nan 0.000 0.432 303 F N -0.780 119.151 119.950 -0.033 0.000 2.816 303 F HA 0.039 4.566 4.527 -0.001 0.000 0.302 303 F C 1.963 177.756 175.800 -0.012 0.000 1.178 303 F CA 0.461 58.452 58.000 -0.016 0.000 1.421 303 F CB -0.089 38.941 39.000 0.050 0.000 1.114 303 F HN 0.206 nan 8.300 nan 0.000 0.573 304 E N -0.510 119.758 120.200 0.113 0.000 2.562 304 E HA 0.053 4.402 4.350 -0.001 0.000 0.214 304 E C 0.070 176.677 176.600 0.011 0.000 0.979 304 E CA 0.215 56.653 56.400 0.063 0.000 1.002 304 E CB 0.070 29.812 29.700 0.069 0.000 1.048 304 E HN 0.079 nan 8.360 nan 0.000 0.488 305 D N 0.119 120.507 120.400 -0.019 0.000 3.012 305 D HA -0.232 4.408 4.640 -0.001 0.000 0.222 305 D C 0.631 176.919 176.300 -0.021 0.000 1.167 305 D CA 0.805 54.780 54.000 -0.041 0.000 0.854 305 D CB -0.687 40.085 40.800 -0.048 0.000 1.107 305 D HN 0.382 nan 8.370 nan 0.000 0.421 306 K N -0.156 120.242 120.400 -0.004 0.000 2.296 306 K HA 0.050 4.370 4.320 -0.001 0.000 0.200 306 K C 1.594 178.194 176.600 -0.000 0.000 1.048 306 K CA 0.821 57.110 56.287 0.003 0.000 0.966 306 K CB 0.416 32.925 32.500 0.016 0.000 0.754 306 K HN 0.527 nan 8.250 nan 0.000 0.466 307 I N -2.540 118.027 120.570 -0.005 0.000 3.294 307 I HA 0.438 4.608 4.170 -0.001 0.000 0.311 307 I C -0.720 175.385 176.117 -0.019 0.000 1.111 307 I CA -1.277 60.021 61.300 -0.004 0.000 0.976 307 I CB 1.772 39.777 38.000 0.008 0.000 1.260 307 I HN -0.333 nan 8.210 nan 0.000 0.474 308 E N 0.556 120.749 120.200 -0.011 0.000 2.283 308 E HA 0.409 4.759 4.350 -0.001 0.000 0.271 308 E C 0.507 177.094 176.600 -0.022 0.000 1.031 308 E CA -0.411 55.978 56.400 -0.018 0.000 0.868 308 E CB 1.456 31.154 29.700 -0.004 0.000 1.094 308 E HN 0.665 nan 8.360 nan 0.000 0.401 309 L N 2.067 123.267 121.223 -0.038 0.000 1.971 309 L HA -0.224 4.116 4.340 -0.001 0.000 0.215 309 L C 2.076 178.943 176.870 -0.005 0.000 1.072 309 L CA 1.210 56.023 54.840 -0.044 0.000 0.758 309 L CB -0.364 41.665 42.059 -0.050 0.000 0.889 309 L HN 0.455 nan 8.230 nan 0.000 0.433 310 R N 0.178 120.689 120.500 0.018 0.000 2.293 310 R HA -0.117 4.223 4.340 -0.001 0.000 0.219 310 R C 1.485 177.826 176.300 0.068 0.000 1.091 310 R CA 0.783 56.912 56.100 0.048 0.000 1.004 310 R CB -0.805 29.531 30.300 0.060 0.000 0.865 310 R HN 0.445 nan 8.270 nan 0.000 0.469 311 D N -0.372 120.059 120.400 0.050 0.000 2.264 311 D HA -0.095 4.545 4.640 -0.001 0.000 0.208 311 D C 1.714 178.059 176.300 0.077 0.000 0.966 311 D CA 1.581 55.619 54.000 0.064 0.000 0.864 311 D CB -0.123 40.701 40.800 0.039 0.000 0.933 311 D HN 0.339 nan 8.370 nan 0.000 0.499 312 T N -1.352 113.237 114.554 0.059 0.000 3.035 312 T HA -0.041 4.309 4.350 -0.001 0.000 0.268 312 T C 1.066 175.821 174.700 0.091 0.000 1.109 312 T CA 0.005 62.146 62.100 0.068 0.000 1.119 312 T CB -0.053 68.841 68.868 0.044 0.000 0.900 312 T HN -0.056 nan 8.240 nan 0.000 0.503 313 I N 3.026 123.646 120.570 0.084 0.000 2.483 313 I HA 0.109 4.278 4.170 -0.001 0.000 0.291 313 I C 1.229 177.388 176.117 0.070 0.000 1.112 313 I CA -0.437 60.889 61.300 0.042 0.000 1.350 313 I CB 0.486 38.494 38.000 0.014 0.000 1.419 313 I HN 0.074 nan 8.210 nan 0.000 0.523 314 V N 5.775 125.710 119.914 0.035 0.000 3.506 314 V HA 0.278 4.398 4.120 -0.001 0.000 0.263 314 V C 0.857 176.912 176.094 -0.064 0.000 1.203 314 V CA 0.786 63.143 62.300 0.095 0.000 1.133 314 V CB -0.155 31.762 31.823 0.156 0.000 0.802 314 V HN 0.888 nan 8.190 nan 0.000 0.459 315 A N -0.260 122.296 122.820 -0.439 0.000 2.586 315 A HA 0.751 5.071 4.320 -0.001 0.000 0.291 315 A C -0.576 176.557 177.584 -0.752 0.000 1.062 315 A CA -0.363 51.239 52.037 -0.725 0.000 0.666 315 A CB 1.471 20.298 19.000 -0.289 0.000 1.281 315 A HN 0.100 nan 8.150 nan 0.000 0.421 316 E N 0.811 120.571 120.200 -0.733 0.000 3.653 316 E HA 0.201 4.551 4.350 -0.001 0.000 0.275 316 E C -2.822 173.550 176.600 -0.380 0.000 1.139 316 E CA -0.965 55.156 56.400 -0.464 0.000 1.227 316 E CB 0.847 30.315 29.700 -0.386 0.000 1.277 316 E HN 0.569 nan 8.360 nan 0.000 0.394 317 P HA 0.039 nan 4.420 nan 0.000 0.271 317 P C -0.439 176.575 177.300 -0.477 0.000 1.216 317 P CA -0.039 62.650 63.100 -0.685 0.000 0.776 317 P CB 1.048 31.910 31.700 -1.396 0.000 0.881 318 E N 2.323 122.387 120.200 -0.228 0.000 2.259 318 E HA 0.160 4.510 4.350 -0.001 0.000 0.281 318 E C 0.153 176.701 176.600 -0.087 0.000 1.037 318 E CA -0.335 55.993 56.400 -0.120 0.000 0.854 318 E CB 0.387 30.071 29.700 -0.026 0.000 1.051 318 E HN 0.428 nan 8.360 nan 0.000 0.409 319 L N 3.207 124.342 121.223 -0.147 0.000 2.600 319 L HA 0.461 4.801 4.340 -0.001 0.000 0.213 319 L C 1.016 177.853 176.870 -0.054 0.000 1.045 319 L CA 0.366 55.131 54.840 -0.124 0.000 0.863 319 L CB 0.645 42.550 42.059 -0.258 0.000 1.189 319 L HN 0.705 nan 8.230 nan 0.000 0.484 320 G N -0.400 108.373 108.800 -0.046 0.000 2.317 320 G HA2 0.279 4.238 3.960 -0.001 0.000 0.293 320 G HA3 0.279 4.238 3.960 -0.001 0.000 0.293 320 G C -1.861 173.039 174.900 -0.000 0.000 1.287 320 G CA -0.884 44.209 45.100 -0.012 0.000 0.850 320 G HN -0.135 nan 8.290 nan 0.000 0.515 321 L N 1.218 122.454 121.223 0.021 0.000 2.290 321 L HA 0.500 4.840 4.340 -0.001 0.000 0.284 321 L C 1.310 178.223 176.870 0.072 0.000 1.078 321 L CA 0.737 55.600 54.840 0.038 0.000 0.815 321 L CB 1.066 43.151 42.059 0.044 0.000 1.162 321 L HN 1.790 nan 8.230 nan 0.000 0.435 322 G N 3.441 112.284 108.800 0.071 0.000 2.341 322 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.278 322 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.278 322 G C -2.689 172.265 174.900 0.090 0.000 1.111 322 G CA -1.035 44.129 45.100 0.108 0.000 0.982 322 G HN 0.402 nan 8.290 nan 0.000 0.502 323 P HA 0.391 nan 4.420 nan 0.000 0.276 323 P C 1.016 178.316 177.300 -0.000 0.000 1.264 323 P CA -0.200 62.915 63.100 0.024 0.000 0.769 323 P CB 0.890 32.578 31.700 -0.019 0.000 0.840 324 L N 2.169 123.398 121.223 0.010 0.000 2.515 324 L HA 0.233 4.572 4.340 -0.001 0.000 0.202 324 L C 0.843 177.452 176.870 -0.435 0.000 1.056 324 L CA 0.529 55.302 54.840 -0.112 0.000 0.847 324 L CB 0.019 42.079 42.059 0.002 0.000 1.131 324 L HN 0.458 nan 8.230 nan 0.000 0.484 325 H N -0.988 118.144 119.070 0.104 0.000 2.985 325 H HA 0.515 5.071 4.556 -0.001 0.000 0.360 325 H C -1.170 174.215 175.328 0.095 0.000 1.221 325 H CA -0.398 55.694 56.048 0.073 0.000 1.121 325 H CB 2.410 32.186 29.762 0.024 0.000 1.854 325 H HN -0.182 nan 8.280 nan 0.000 0.551 326 T N 0.862 115.533 114.554 0.196 0.000 2.933 326 T HA 0.369 4.719 4.350 -0.001 0.000 0.305 326 T C -0.193 174.420 174.700 -0.145 0.000 1.092 326 T CA -0.548 61.577 62.100 0.042 0.000 1.008 326 T CB 2.726 71.607 68.868 0.022 0.000 1.102 326 T HN 0.587 nan 8.240 nan 0.000 0.469 327 T N 1.147 115.514 114.554 -0.311 0.000 2.864 327 T HA 0.858 5.208 4.350 -0.001 0.000 0.289 327 T C -1.779 172.502 174.700 -0.698 0.000 1.082 327 T CA -0.584 61.290 62.100 -0.377 0.000 1.009 327 T CB 0.723 69.542 68.868 -0.081 0.000 1.234 327 T HN 0.363 nan 8.240 nan 0.000 0.526 328 F N 0.831 120.839 119.950 0.096 0.000 2.588 328 F HA 0.399 4.926 4.527 -0.000 0.000 0.314 328 F C 0.742 176.581 175.800 0.066 0.000 1.069 328 F CA -1.072 56.989 58.000 0.102 0.000 0.931 328 F CB 1.531 40.557 39.000 0.044 0.000 1.260 328 F HN 0.582 nan 8.300 nan 0.000 0.465 329 D N -1.054 119.533 120.400 0.312 0.000 2.360 329 D HA 0.239 4.878 4.640 -0.001 0.000 0.210 329 D C 1.655 178.026 176.300 0.118 0.000 1.047 329 D CA 0.597 54.699 54.000 0.170 0.000 0.854 329 D CB 0.325 41.266 40.800 0.236 0.000 0.936 329 D HN 0.872 nan 8.370 nan 0.000 0.514 330 G N 0.872 109.752 108.800 0.134 0.000 2.179 330 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.260 330 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.260 330 G C 0.968 175.884 174.900 0.026 0.000 0.977 330 G CA 0.203 45.333 45.100 0.050 0.000 0.641 330 G HN 0.444 nan 8.290 nan 0.000 0.533 331 R N -0.258 120.270 120.500 0.047 0.000 2.507 331 R HA 0.459 4.799 4.340 -0.001 0.000 0.298 331 R C 1.809 178.115 176.300 0.011 0.000 0.999 331 R CA 0.577 56.691 56.100 0.024 0.000 1.082 331 R CB 0.511 30.829 30.300 0.030 0.000 1.246 331 R HN 1.181 nan 8.270 nan 0.000 0.553 332 G N 0.729 109.536 108.800 0.012 0.000 2.194 332 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.236 332 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.236 332 G C -0.192 174.665 174.900 -0.072 0.000 0.987 332 G CA -0.492 44.600 45.100 -0.012 0.000 0.635 332 G HN 0.286 nan 8.290 nan 0.000 0.520 333 N N 0.952 119.604 118.700 -0.080 0.000 2.456 333 N HA 0.688 5.427 4.740 -0.001 0.000 0.296 333 N C -0.025 175.294 175.510 -0.319 0.000 1.102 333 N CA 0.537 53.430 53.050 -0.261 0.000 0.924 333 N CB 1.844 40.170 38.487 -0.268 0.000 1.186 333 N HN 0.721 nan 8.380 nan 0.000 0.492 334 A N 1.613 123.964 122.820 -0.780 0.000 2.350 334 A HA 0.679 4.999 4.320 -0.001 0.000 0.324 334 A C -1.612 175.498 177.584 -0.790 0.000 1.118 334 A CA -0.552 51.000 52.037 -0.808 0.000 0.783 334 A CB 0.705 18.953 19.000 -1.253 0.000 1.236 334 A HN 0.589 nan 8.150 nan 0.000 0.457 335 Y N 0.610 120.722 120.300 -0.312 0.000 2.328 335 Y HA 0.581 5.130 4.550 -0.001 0.000 0.336 335 Y C 0.499 176.438 175.900 0.066 0.000 0.960 335 Y CA -0.422 57.651 58.100 -0.046 0.000 1.134 335 Y CB 2.330 40.768 38.460 -0.036 0.000 1.166 335 Y HN 0.583 nan 8.280 nan 0.000 0.464 336 T N 1.812 116.571 114.554 0.342 0.000 2.885 336 T HA 0.466 4.815 4.350 -0.001 0.000 0.285 336 T C -0.231 174.599 174.700 0.218 0.000 1.019 336 T CA -1.001 61.264 62.100 0.274 0.000 1.010 336 T CB 1.207 70.244 68.868 0.282 0.000 1.022 336 T HN 0.601 nan 8.240 nan 0.000 0.466 337 T N 1.076 115.748 114.554 0.197 0.000 2.845 337 T HA 0.636 4.985 4.350 -0.001 0.000 0.288 337 T C -0.228 174.567 174.700 0.159 0.000 0.980 337 T CA -0.855 61.357 62.100 0.186 0.000 1.071 337 T CB 0.232 69.234 68.868 0.224 0.000 0.941 337 T HN 0.395 nan 8.240 nan 0.000 0.487 338 L N 4.020 125.327 121.223 0.140 0.000 2.356 338 L HA 0.367 4.707 4.340 -0.001 0.000 0.264 338 L C 0.869 177.826 176.870 0.145 0.000 1.029 338 L CA -0.863 54.051 54.840 0.124 0.000 0.897 338 L CB 0.545 42.651 42.059 0.079 0.000 1.256 338 L HN 0.703 nan 8.230 nan 0.000 0.444 339 F N 2.834 122.813 119.950 0.048 0.000 2.063 339 F HA -0.290 4.237 4.527 -0.000 0.000 0.298 339 F C 1.955 177.797 175.800 0.071 0.000 1.109 339 F CA 2.082 60.115 58.000 0.056 0.000 1.212 339 F CB 0.169 39.183 39.000 0.023 0.000 0.973 339 F HN 0.370 nan 8.300 nan 0.000 0.480 340 I N -0.057 120.619 120.570 0.176 0.000 2.163 340 I HA -0.279 3.890 4.170 -0.001 0.000 0.240 340 I C 1.720 177.839 176.117 0.004 0.000 1.081 340 I CA 1.652 63.000 61.300 0.080 0.000 1.353 340 I CB -0.745 37.335 38.000 0.133 0.000 1.054 340 I HN 0.069 nan 8.210 nan 0.000 0.407 341 D N 0.736 121.152 120.400 0.026 0.000 2.371 341 D HA -0.076 4.564 4.640 -0.001 0.000 0.221 341 D C 0.941 177.240 176.300 -0.002 0.000 0.986 341 D CA 0.553 54.561 54.000 0.014 0.000 0.899 341 D CB -0.130 40.684 40.800 0.024 0.000 0.902 341 D HN 0.191 nan 8.370 nan 0.000 0.530 342 S N 0.583 116.268 115.700 -0.025 0.000 3.572 342 S HA -0.228 4.242 4.470 -0.001 0.000 0.394 342 S C -0.315 174.277 174.600 -0.013 0.000 0.923 342 S CA 0.794 58.970 58.200 -0.041 0.000 1.291 342 S CB -1.402 61.772 63.200 -0.043 0.000 0.914 342 S HN 0.564 nan 8.310 nan 0.000 0.545 343 Q N -0.505 119.310 119.800 0.024 0.000 2.633 343 Q HA 0.700 5.040 4.340 -0.001 0.000 0.289 343 Q C -1.375 174.675 176.000 0.083 0.000 0.940 343 Q CA -1.292 54.536 55.803 0.041 0.000 0.785 343 Q CB 1.411 30.168 28.738 0.033 0.000 1.467 343 Q HN 0.179 nan 8.270 nan 0.000 0.401 344 V N 0.874 120.850 119.914 0.103 0.000 2.472 344 V HA 0.441 4.560 4.120 -0.001 0.000 0.290 344 V C -0.555 175.635 176.094 0.160 0.000 1.037 344 V CA -0.629 61.763 62.300 0.153 0.000 0.908 344 V CB 1.462 33.393 31.823 0.181 0.000 0.985 344 V HN 0.915 nan 8.190 nan 0.000 0.454 345 C N 6.718 126.131 119.300 0.187 0.000 2.281 345 C HA 0.520 4.980 4.460 -0.001 0.000 0.323 345 C C 0.051 175.188 174.990 0.245 0.000 1.270 345 C CA -1.030 58.100 59.018 0.188 0.000 1.559 345 C CB -0.096 27.732 27.740 0.146 0.000 2.239 345 C HN 0.979 nan 8.230 nan 0.000 0.488 346 K N 7.125 127.589 120.400 0.106 0.000 2.248 346 K HA 0.527 4.847 4.320 -0.001 0.000 0.281 346 K C -0.709 175.912 176.600 0.035 0.000 1.054 346 K CA -0.306 55.869 56.287 -0.186 0.000 0.903 346 K CB 0.574 32.899 32.500 -0.293 0.000 1.077 346 K HN 0.887 nan 8.250 nan 0.000 0.474 347 W N 3.104 124.264 121.300 -0.234 0.000 3.127 347 W HA 0.335 4.994 4.660 -0.001 0.000 0.330 347 W C -1.274 175.196 176.519 -0.082 0.000 1.187 347 W CA -1.108 56.190 57.345 -0.078 0.000 1.198 347 W CB 0.133 29.610 29.460 0.028 0.000 1.408 347 W HN 0.401 nan 8.180 nan 0.000 0.529 348 N N 2.389 121.154 118.700 0.107 0.000 2.422 348 N HA 0.179 4.918 4.740 -0.001 0.000 0.264 348 N C 1.049 176.583 175.510 0.041 0.000 1.063 348 N CA -0.111 52.928 53.050 -0.018 0.000 0.959 348 N CB 0.977 39.497 38.487 0.055 0.000 1.087 348 N HN 0.521 nan 8.380 nan 0.000 0.483 349 I N 2.668 123.126 120.570 -0.187 0.000 2.286 349 I HA -0.267 3.903 4.170 -0.001 0.000 0.248 349 I C 2.205 178.321 176.117 -0.002 0.000 1.115 349 I CA 0.968 62.183 61.300 -0.142 0.000 1.392 349 I CB -0.224 37.608 38.000 -0.280 0.000 1.065 349 I HN 0.566 nan 8.210 nan 0.000 0.418 350 A N 0.927 123.761 122.820 0.024 0.000 1.858 350 A HA -0.241 4.079 4.320 -0.001 0.000 0.216 350 A C 1.997 179.648 177.584 0.112 0.000 1.190 350 A CA 2.109 54.187 52.037 0.068 0.000 0.617 350 A CB -0.661 18.378 19.000 0.065 0.000 0.827 350 A HN 0.343 nan 8.150 nan 0.000 0.443 351 D N 0.089 120.576 120.400 0.146 0.000 2.182 351 D HA -0.081 4.559 4.640 -0.001 0.000 0.201 351 D C 2.123 178.587 176.300 0.273 0.000 0.986 351 D CA 1.467 55.594 54.000 0.212 0.000 0.847 351 D CB -0.377 40.569 40.800 0.243 0.000 0.942 351 D HN 0.455 nan 8.370 nan 0.000 0.467 352 A N 0.545 123.496 122.820 0.218 0.000 1.969 352 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 352 A C 2.347 179.991 177.584 0.100 0.000 1.169 352 A CA 0.575 52.641 52.037 0.049 0.000 0.635 352 A CB -0.508 18.472 19.000 -0.032 0.000 0.810 352 A HN 0.175 nan 8.150 nan 0.000 0.445 353 I N -0.319 120.318 120.570 0.112 0.000 2.179 353 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 353 I C 2.445 178.681 176.117 0.198 0.000 1.088 353 I CA 1.635 63.017 61.300 0.137 0.000 1.357 353 I CB -0.337 37.728 38.000 0.108 0.000 1.051 353 I HN 0.292 nan 8.210 nan 0.000 0.409 354 K N -0.252 120.256 120.400 0.179 0.000 1.991 354 K HA -0.251 4.069 4.320 -0.001 0.000 0.212 354 K C 2.301 179.020 176.600 0.199 0.000 1.049 354 K CA 1.518 57.903 56.287 0.163 0.000 0.932 354 K CB -0.548 32.038 32.500 0.144 0.000 0.717 354 K HN 0.331 nan 8.250 nan 0.000 0.441 355 H N -0.070 119.102 119.070 0.170 0.000 2.457 355 H HA -0.175 4.381 4.556 -0.001 0.000 0.297 355 H C 1.694 177.134 175.328 0.187 0.000 1.092 355 H CA 1.427 57.593 56.048 0.195 0.000 1.309 355 H CB -0.000 29.966 29.762 0.340 0.000 1.382 355 H HN 0.274 nan 8.280 nan 0.000 0.535 356 Y N 1.117 121.552 120.300 0.224 0.000 2.457 356 Y HA 0.005 4.554 4.550 -0.001 0.000 0.292 356 Y C 1.639 177.587 175.900 0.080 0.000 1.125 356 Y CA 0.750 58.931 58.100 0.135 0.000 1.254 356 Y CB -0.031 38.461 38.460 0.053 0.000 1.012 356 Y HN 0.142 nan 8.280 nan 0.000 0.555 357 N N -0.296 118.426 118.700 0.037 0.000 2.398 357 N HA 0.109 4.849 4.740 -0.001 0.000 0.188 357 N C 1.296 176.759 175.510 -0.078 0.000 1.122 357 N CA 1.086 54.097 53.050 -0.065 0.000 0.866 357 N CB 0.568 39.064 38.487 0.016 0.000 0.970 357 N HN 0.510 nan 8.380 nan 0.000 0.462 358 G N 0.104 108.861 108.800 -0.072 0.000 2.229 358 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.189 358 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.189 358 G C 0.052 174.885 174.900 -0.112 0.000 1.000 358 G CA -0.281 44.763 45.100 -0.095 0.000 0.663 358 G HN 0.250 nan 8.290 nan 0.000 0.493 359 D N 0.014 120.359 120.400 -0.091 0.000 2.314 359 D HA 0.407 5.047 4.640 -0.001 0.000 0.252 359 D C 1.419 177.596 176.300 -0.204 0.000 1.295 359 D CA 0.214 54.163 54.000 -0.085 0.000 0.995 359 D CB 0.337 41.137 40.800 -0.000 0.000 1.125 359 D HN 0.365 nan 8.370 nan 0.000 0.537 360 R N -0.724 119.704 120.500 -0.120 0.000 2.538 360 R HA 0.222 4.562 4.340 -0.001 0.000 0.372 360 R C -0.219 176.089 176.300 0.013 0.000 0.950 360 R CA -0.290 55.733 56.100 -0.128 0.000 1.168 360 R CB 0.575 30.831 30.300 -0.073 0.000 1.542 360 R HN 0.035 nan 8.270 nan 0.000 0.536 361 V N 1.787 121.747 119.914 0.078 0.000 2.999 361 V HA -0.042 4.078 4.120 -0.001 0.000 0.307 361 V C 0.473 176.674 176.094 0.179 0.000 1.084 361 V CA 0.063 62.437 62.300 0.123 0.000 1.155 361 V CB 0.566 32.473 31.823 0.140 0.000 0.975 361 V HN 0.306 nan 8.190 nan 0.000 0.490 362 N N 1.637 120.377 118.700 0.066 0.000 2.414 362 N HA 0.276 5.015 4.740 -0.001 0.000 0.256 362 N C 0.137 175.635 175.510 -0.021 0.000 1.029 362 N CA -0.414 52.593 53.050 -0.071 0.000 0.948 362 N CB 0.744 39.183 38.487 -0.079 0.000 1.102 362 N HN 0.820 nan 8.380 nan 0.000 0.496 363 Y N 1.583 121.927 120.300 0.074 0.000 2.503 363 Y HA 0.349 4.898 4.550 -0.001 0.000 0.278 363 Y C 0.463 176.438 175.900 0.124 0.000 1.111 363 Y CA -0.369 57.793 58.100 0.104 0.000 1.270 363 Y CB -0.015 38.510 38.460 0.109 0.000 1.063 363 Y HN 0.298 nan 8.280 nan 0.000 0.548 364 I N 2.998 123.562 120.570 -0.010 0.000 2.436 364 I HA 0.103 4.273 4.170 -0.001 0.000 0.289 364 I C 0.811 176.955 176.117 0.044 0.000 1.083 364 I CA -0.047 61.304 61.300 0.086 0.000 1.372 364 I CB 0.924 38.885 38.000 -0.066 0.000 1.408 364 I HN 0.228 nan 8.210 nan 0.000 0.516 365 R N 4.072 124.620 120.500 0.080 0.000 2.146 365 R HA 0.217 4.557 4.340 -0.001 0.000 0.206 365 R C 0.360 176.675 176.300 0.026 0.000 1.049 365 R CA 0.548 56.668 56.100 0.033 0.000 1.029 365 R CB 0.193 30.500 30.300 0.011 0.000 0.949 365 R HN 0.674 nan 8.270 nan 0.000 0.471 366 Q N -0.184 119.639 119.800 0.039 0.000 2.527 366 Q HA 0.299 4.639 4.340 -0.001 0.000 0.280 366 Q C -1.737 174.301 176.000 0.063 0.000 0.977 366 Q CA -0.508 55.321 55.803 0.044 0.000 0.837 366 Q CB 2.050 30.816 28.738 0.048 0.000 1.454 366 Q HN -0.139 nan 8.270 nan 0.000 0.387 367 K N 2.683 123.117 120.400 0.056 0.000 2.578 367 K HA 0.469 4.788 4.320 -0.001 0.000 0.250 367 K C -1.420 175.214 176.600 0.056 0.000 0.955 367 K CA -0.467 55.858 56.287 0.062 0.000 0.825 367 K CB 1.825 34.351 32.500 0.044 0.000 1.151 367 K HN 0.530 nan 8.250 nan 0.000 0.432 368 L N 3.044 124.310 121.223 0.071 0.000 2.296 368 L HA 0.293 4.633 4.340 -0.001 0.000 0.286 368 L C -0.592 176.300 176.870 0.037 0.000 1.023 368 L CA -0.700 54.174 54.840 0.057 0.000 0.812 368 L CB 1.103 43.209 42.059 0.078 0.000 1.223 368 L HN 0.561 nan 8.230 nan 0.000 0.421 369 D N 4.562 124.968 120.400 0.010 0.000 2.346 369 D HA 0.074 4.714 4.640 -0.001 0.000 0.267 369 D C -0.026 176.244 176.300 -0.051 0.000 1.320 369 D CA 0.216 54.203 54.000 -0.021 0.000 0.951 369 D CB 1.133 41.912 40.800 -0.035 0.000 1.079 369 D HN 0.122 nan 8.370 nan 0.000 0.509 370 V N 2.999 122.886 119.914 -0.046 0.000 2.732 370 V HA -0.031 4.089 4.120 -0.001 0.000 0.297 370 V C 0.683 176.656 176.094 -0.202 0.000 1.060 370 V CA -0.506 61.754 62.300 -0.065 0.000 1.038 370 V CB 1.382 33.205 31.823 0.000 0.000 1.003 370 V HN 0.338 nan 8.190 nan 0.000 0.481 371 Q N 4.121 123.753 119.800 -0.280 0.000 2.513 371 Q HA 0.353 4.693 4.340 -0.001 0.000 0.227 371 Q C -1.363 174.284 176.000 -0.589 0.000 1.257 371 Q CA 0.140 55.517 55.803 -0.709 0.000 0.915 371 Q CB -0.803 27.604 28.738 -0.552 0.000 1.507 371 Q HN 0.565 nan 8.270 nan 0.000 0.543 372 Y N -0.186 120.149 120.300 0.058 0.000 2.788 372 Y HA -0.216 4.334 4.550 -0.001 0.000 0.050 372 Y C -0.203 175.749 175.900 0.086 0.000 1.997 372 Y CA -0.261 57.894 58.100 0.090 0.000 1.194 372 Y CB -2.273 36.288 38.460 0.169 0.000 1.860 372 Y HN 0.566 nan 8.280 nan 0.000 0.294 373 Q N -1.303 118.510 119.800 0.023 0.000 2.406 373 Q HA -0.151 4.188 4.340 -0.001 0.000 0.320 373 Q C -2.617 173.344 176.000 -0.065 0.000 1.288 373 Q CA 1.037 56.640 55.803 -0.334 0.000 0.925 373 Q CB -0.541 27.855 28.738 -0.569 0.000 1.019 373 Q HN 0.400 nan 8.270 nan 0.000 0.300 374 P HA 0.297 nan 4.420 nan 0.000 0.279 374 P C 0.507 177.993 177.300 0.310 0.000 1.239 374 P CA 0.141 63.343 63.100 0.169 0.000 0.789 374 P CB 1.417 33.205 31.700 0.147 0.000 0.933 375 G N 1.405 110.359 108.800 0.256 0.000 2.727 375 G HA2 0.097 4.057 3.960 -0.001 0.000 0.212 375 G HA3 0.097 4.057 3.960 -0.001 0.000 0.212 375 G C -0.149 174.922 174.900 0.284 0.000 2.076 375 G CA 0.207 45.476 45.100 0.281 0.000 0.744 375 G HN 0.477 nan 8.290 nan 0.000 0.775 376 H N 0.496 119.633 119.070 0.112 0.000 2.615 376 H HA 0.323 4.879 4.556 -0.001 0.000 0.363 376 H C -0.659 174.699 175.328 0.051 0.000 1.148 376 H CA 0.329 56.323 56.048 -0.090 0.000 1.401 376 H CB 1.456 31.094 29.762 -0.207 0.000 1.461 376 H HN 0.216 nan 8.280 nan 0.000 0.588 377 N N 0.362 119.191 118.700 0.215 0.000 2.238 377 N HA 0.181 4.921 4.740 -0.001 0.000 0.302 377 N C -1.759 173.879 175.510 0.213 0.000 1.072 377 N CA -0.492 52.672 53.050 0.190 0.000 0.792 377 N CB 1.413 40.017 38.487 0.193 0.000 1.425 377 N HN 0.587 nan 8.380 nan 0.000 0.478 378 H N 0.602 119.685 119.070 0.023 0.000 3.042 378 H HA 0.696 5.251 4.556 -0.001 0.000 0.345 378 H C -1.596 173.729 175.328 -0.006 0.000 1.052 378 H CA -0.597 55.457 56.048 0.011 0.000 1.311 378 H CB 1.169 30.900 29.762 -0.052 0.000 1.810 378 H HN 0.609 nan 8.280 nan 0.000 0.505 379 A N 3.126 125.689 122.820 -0.428 0.000 2.317 379 A HA 0.519 4.838 4.320 -0.001 0.000 0.327 379 A C -0.212 177.187 177.584 -0.309 0.000 1.178 379 A CA -0.338 51.524 52.037 -0.291 0.000 0.817 379 A CB 0.457 19.320 19.000 -0.228 0.000 1.189 379 A HN 0.893 nan 8.150 nan 0.000 0.489 380 S N 2.008 117.644 115.700 -0.107 0.000 2.673 380 S HA 0.201 4.670 4.470 -0.001 0.000 0.308 380 S C 0.668 175.336 174.600 0.114 0.000 1.246 380 S CA 0.473 58.683 58.200 0.017 0.000 1.077 380 S CB -0.621 62.551 63.200 -0.046 0.000 0.814 380 S HN 1.375 nan 8.310 nan 0.000 0.503 381 L N -0.276 121.111 121.223 0.273 0.000 4.232 381 L HA -0.254 4.085 4.340 -0.001 0.000 0.415 381 L C 1.927 178.883 176.870 0.143 0.000 1.168 381 L CA 0.826 55.822 54.840 0.260 0.000 0.966 381 L CB -2.877 39.277 42.059 0.157 0.000 2.052 381 L HN 0.884 nan 8.230 nan 0.000 0.887 382 T N -0.297 114.328 114.554 0.118 0.000 2.833 382 T HA -0.146 4.204 4.350 -0.001 0.000 0.269 382 T C 1.298 176.157 174.700 0.265 0.000 1.054 382 T CA 2.044 64.240 62.100 0.160 0.000 1.135 382 T CB -0.094 68.831 68.868 0.096 0.000 0.869 382 T HN 0.613 nan 8.240 nan 0.000 0.466 383 E N 1.387 121.801 120.200 0.356 0.000 2.445 383 E HA 0.136 4.486 4.350 -0.001 0.000 0.189 383 E C 0.428 177.171 176.600 0.237 0.000 1.069 383 E CA -0.197 56.422 56.400 0.365 0.000 0.871 383 E CB 0.217 30.205 29.700 0.479 0.000 0.991 383 E HN 0.551 nan 8.360 nan 0.000 0.481 384 S N -0.915 114.837 115.700 0.087 0.000 2.667 384 S HA 0.407 4.876 4.470 -0.001 0.000 0.292 384 S C 0.604 175.267 174.600 0.105 0.000 1.126 384 S CA -0.993 57.188 58.200 -0.033 0.000 0.881 384 S CB 1.946 64.817 63.200 -0.548 0.000 1.132 384 S HN -0.029 nan 8.310 nan 0.000 0.492 385 R N 0.386 120.974 120.500 0.146 0.000 2.120 385 R HA -0.022 4.318 4.340 -0.001 0.000 0.234 385 R C -0.138 176.147 176.300 -0.026 0.000 1.123 385 R CA 1.447 57.574 56.100 0.045 0.000 0.975 385 R CB -0.423 29.903 30.300 0.043 0.000 0.866 385 R HN 0.639 nan 8.270 nan 0.000 0.446 386 D N 1.078 121.452 120.400 -0.044 0.000 2.690 386 D HA 0.096 4.735 4.640 -0.001 0.000 0.236 386 D C -0.381 175.910 176.300 -0.014 0.000 1.218 386 D CA 0.072 54.050 54.000 -0.037 0.000 0.829 386 D CB 0.180 40.953 40.800 -0.044 0.000 1.009 386 D HN 0.145 nan 8.370 nan 0.000 0.482 387 A N 1.699 124.518 122.820 -0.000 0.000 2.505 387 A HA 0.037 4.356 4.320 -0.001 0.000 0.271 387 A C 1.071 178.679 177.584 0.040 0.000 1.112 387 A CA -0.244 51.816 52.037 0.038 0.000 0.781 387 A CB 0.085 19.119 19.000 0.058 0.000 1.059 387 A HN 0.134 nan 8.150 nan 0.000 0.508 388 D N 2.285 122.724 120.400 0.064 0.000 2.347 388 D HA 0.196 4.836 4.640 -0.001 0.000 0.213 388 D C 1.104 177.416 176.300 0.020 0.000 0.985 388 D CA 0.647 54.680 54.000 0.054 0.000 0.879 388 D CB -0.318 40.545 40.800 0.106 0.000 0.919 388 D HN 1.162 nan 8.370 nan 0.000 0.526 389 G N 0.546 109.351 108.800 0.008 0.000 2.323 389 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.292 389 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.292 389 G C 0.924 175.759 174.900 -0.110 0.000 1.040 389 G CA 0.839 45.917 45.100 -0.036 0.000 0.942 389 G HN 0.346 nan 8.290 nan 0.000 0.506 390 K N -1.449 118.859 120.400 -0.154 0.000 2.240 390 K HA 0.318 4.638 4.320 -0.001 0.000 0.202 390 K C 0.706 176.942 176.600 -0.606 0.000 1.053 390 K CA 0.699 56.762 56.287 -0.373 0.000 0.973 390 K CB 0.235 32.539 32.500 -0.326 0.000 0.924 390 K HN 0.537 nan 8.250 nan 0.000 0.477 391 W N 0.204 121.403 121.300 -0.169 0.000 2.689 391 W HA 0.517 5.176 4.660 -0.001 0.000 0.340 391 W C -1.074 175.327 176.519 -0.196 0.000 1.060 391 W CA -1.119 56.112 57.345 -0.190 0.000 1.218 391 W CB 1.290 30.583 29.460 -0.279 0.000 1.410 391 W HN -0.200 nan 8.180 nan 0.000 0.528 392 L N 3.490 124.833 121.223 0.201 0.000 2.385 392 L HA 0.770 5.110 4.340 -0.001 0.000 0.273 392 L C -1.305 175.631 176.870 0.110 0.000 0.990 392 L CA -0.828 54.028 54.840 0.026 0.000 0.821 392 L CB 1.736 43.725 42.059 -0.117 0.000 1.279 392 L HN 0.195 nan 8.230 nan 0.000 0.412 393 V N 5.235 125.204 119.914 0.092 0.000 2.540 393 V HA 0.621 4.741 4.120 -0.001 0.000 0.302 393 V C -0.704 175.459 176.094 0.115 0.000 1.035 393 V CA -0.703 61.671 62.300 0.123 0.000 0.873 393 V CB 1.877 33.759 31.823 0.098 0.000 0.992 393 V HN 0.500 nan 8.190 nan 0.000 0.428 394 V N 6.112 126.109 119.914 0.139 0.000 2.376 394 V HA 0.426 4.545 4.120 -0.001 0.000 0.287 394 V C -0.577 175.610 176.094 0.154 0.000 1.015 394 V CA -0.464 61.919 62.300 0.138 0.000 0.834 394 V CB 1.415 33.315 31.823 0.129 0.000 1.001 394 V HN 0.683 nan 8.190 nan 0.000 0.428 395 L N 4.294 125.602 121.223 0.142 0.000 2.282 395 L HA 0.475 4.815 4.340 -0.001 0.000 0.287 395 L C 0.659 177.608 176.870 0.131 0.000 1.075 395 L CA 0.608 55.534 54.840 0.144 0.000 0.839 395 L CB 0.774 42.888 42.059 0.093 0.000 1.219 395 L HN 0.531 nan 8.230 nan 0.000 0.434 396 S N 2.176 117.956 115.700 0.134 0.000 2.585 396 S HA 0.374 4.843 4.470 -0.001 0.000 0.277 396 S C 0.937 175.572 174.600 0.057 0.000 1.241 396 S CA -0.855 57.413 58.200 0.114 0.000 1.041 396 S CB 1.313 64.596 63.200 0.138 0.000 0.987 396 S HN 0.408 nan 8.310 nan 0.000 0.512 397 K N 0.940 121.311 120.400 -0.048 0.000 2.417 397 K HA 0.271 4.590 4.320 -0.001 0.000 0.196 397 K C -0.866 175.450 176.600 -0.474 0.000 1.023 397 K CA 0.372 56.486 56.287 -0.288 0.000 1.122 397 K CB -0.217 32.037 32.500 -0.410 0.000 0.850 397 K HN 0.425 nan 8.250 nan 0.000 0.521 398 F N -0.513 119.532 119.950 0.159 0.000 2.591 398 F HA 0.129 4.656 4.527 -0.001 0.000 0.309 398 F C 1.091 177.067 175.800 0.294 0.000 1.098 398 F CA -1.117 56.982 58.000 0.165 0.000 0.937 398 F CB 1.885 40.948 39.000 0.106 0.000 1.250 398 F HN -0.152 nan 8.300 nan 0.000 0.447 399 S N 0.320 116.326 115.700 0.511 0.000 2.575 399 S HA 0.236 4.706 4.470 -0.001 0.000 0.230 399 S C 0.934 175.743 174.600 0.349 0.000 1.062 399 S CA 0.321 58.843 58.200 0.537 0.000 0.913 399 S CB 0.140 63.704 63.200 0.607 0.000 0.837 399 S HN 0.674 nan 8.310 nan 0.000 0.487 400 K N 1.685 122.232 120.400 0.246 0.000 2.158 400 K HA -0.283 4.036 4.320 -0.001 0.000 0.151 400 K C 0.512 177.137 176.600 0.041 0.000 0.850 400 K CA 2.261 58.574 56.287 0.043 0.000 0.360 400 K CB -1.650 30.546 32.500 -0.507 0.000 0.730 400 K HN 0.621 nan 8.250 nan 0.000 0.797 401 D N 0.944 121.311 120.400 -0.055 0.000 2.328 401 D HA -0.007 4.633 4.640 -0.001 0.000 0.221 401 D C 1.293 177.579 176.300 -0.025 0.000 1.072 401 D CA 0.302 54.290 54.000 -0.020 0.000 0.850 401 D CB 0.097 40.880 40.800 -0.030 0.000 0.922 401 D HN 0.199 nan 8.370 nan 0.000 0.516 402 R N -0.249 120.238 120.500 -0.022 0.000 2.120 402 R HA 0.062 4.402 4.340 -0.001 0.000 0.234 402 R C 0.094 175.937 176.300 -0.761 0.000 1.123 402 R CA 0.716 56.583 56.100 -0.388 0.000 0.975 402 R CB -0.228 29.764 30.300 -0.512 0.000 0.866 402 R HN 0.269 nan 8.270 nan 0.000 0.446 403 F N -1.130 118.833 119.950 0.021 0.000 2.650 403 F HA 0.379 4.906 4.527 -0.000 0.000 0.320 403 F C 0.348 176.124 175.800 -0.041 0.000 1.091 403 F CA -1.308 56.685 58.000 -0.010 0.000 0.962 403 F CB 0.500 39.497 39.000 -0.005 0.000 1.363 403 F HN -0.341 nan 8.300 nan 0.000 0.482 404 L N 3.662 124.983 121.223 0.163 0.000 2.559 404 L HA 0.098 4.437 4.340 -0.001 0.000 0.282 404 L C -1.896 174.983 176.870 0.014 0.000 1.232 404 L CA -1.403 53.472 54.840 0.058 0.000 0.885 404 L CB -0.137 41.950 42.059 0.047 0.000 1.131 404 L HN 0.305 nan 8.230 nan 0.000 0.498 405 P HA 0.015 nan 4.420 nan 0.000 0.268 405 P C -0.134 177.131 177.300 -0.058 0.000 1.204 405 P CA -0.047 63.001 63.100 -0.087 0.000 0.768 405 P CB 1.137 32.800 31.700 -0.062 0.000 0.842 406 V N -0.641 119.225 119.914 -0.079 0.000 2.967 406 V HA 0.641 4.761 4.120 -0.001 0.000 0.364 406 V C 0.360 176.460 176.094 0.011 0.000 1.373 406 V CA 0.138 62.425 62.300 -0.023 0.000 1.193 406 V CB -0.178 31.640 31.823 -0.009 0.000 1.236 406 V HN 0.975 nan 8.190 nan 0.000 0.582 407 G N 1.189 109.997 108.800 0.014 0.000 2.592 407 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.684 407 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.684 407 G C -1.730 173.263 174.900 0.155 0.000 1.291 407 G CA -0.165 44.976 45.100 0.068 0.000 0.891 407 G HN 0.258 nan 8.290 nan 0.000 0.544 408 P HA -0.007 nan 4.420 nan 0.000 0.216 408 P C 1.254 178.698 177.300 0.240 0.000 1.150 408 P CA 0.709 63.915 63.100 0.176 0.000 0.843 408 P CB 0.165 31.921 31.700 0.094 0.000 0.787 409 L N 0.611 121.967 121.223 0.222 0.000 2.278 409 L HA 0.134 4.474 4.340 -0.001 0.000 0.287 409 L C 0.105 177.174 176.870 0.330 0.000 1.072 409 L CA -0.173 54.794 54.840 0.211 0.000 0.819 409 L CB 0.019 42.166 42.059 0.145 0.000 1.176 409 L HN 0.152 nan 8.230 nan 0.000 0.435 410 H N 5.101 124.217 119.070 0.078 0.000 2.502 410 H HA 0.433 4.989 4.556 -0.000 0.000 0.338 410 H C -2.109 173.259 175.328 0.066 0.000 1.155 410 H CA -2.055 54.047 56.048 0.090 0.000 1.237 410 H CB 1.566 31.404 29.762 0.127 0.000 1.534 410 H HN 0.508 nan 8.280 nan 0.000 0.523 411 P HA 0.047 nan 4.420 nan 0.000 0.276 411 P C -0.462 176.883 177.300 0.075 0.000 1.252 411 P CA -0.516 62.604 63.100 0.033 0.000 0.802 411 P CB 1.389 33.005 31.700 -0.139 0.000 1.035 412 E N 0.881 121.100 120.200 0.031 0.000 2.345 412 E HA 0.222 4.572 4.350 -0.001 0.000 0.259 412 E C -0.160 176.518 176.600 0.130 0.000 1.117 412 E CA -0.377 56.073 56.400 0.084 0.000 0.913 412 E CB 0.263 29.984 29.700 0.035 0.000 1.057 412 E HN 0.385 nan 8.360 nan 0.000 0.432 413 N N 1.434 120.269 118.700 0.226 0.000 2.524 413 N HA 0.115 4.854 4.740 -0.001 0.000 0.261 413 N C -1.723 173.942 175.510 0.258 0.000 0.998 413 N CA -0.384 52.858 53.050 0.320 0.000 0.915 413 N CB 0.625 39.386 38.487 0.457 0.000 1.187 413 N HN 0.097 nan 8.380 nan 0.000 0.507 414 D N 2.502 123.061 120.400 0.266 0.000 2.373 414 D HA 0.184 4.824 4.640 -0.001 0.000 0.227 414 D C -0.276 176.195 176.300 0.284 0.000 1.091 414 D CA -0.038 54.140 54.000 0.298 0.000 0.840 414 D CB 1.202 42.276 40.800 0.457 0.000 1.060 414 D HN 0.521 nan 8.370 nan 0.000 0.502 415 Q N 1.191 121.130 119.800 0.232 0.000 2.271 415 Q HA 0.426 4.765 4.340 -0.001 0.000 0.258 415 Q C -0.481 175.634 176.000 0.192 0.000 0.936 415 Q CA -1.067 54.856 55.803 0.201 0.000 0.909 415 Q CB 2.427 31.247 28.738 0.137 0.000 1.253 415 Q HN 0.278 nan 8.270 nan 0.000 0.440 416 L N 3.909 125.245 121.223 0.189 0.000 2.276 416 L HA 0.440 4.780 4.340 -0.001 0.000 0.286 416 L C -1.203 175.788 176.870 0.203 0.000 1.061 416 L CA 0.113 55.033 54.840 0.134 0.000 0.807 416 L CB 0.568 42.612 42.059 -0.026 0.000 1.177 416 L HN 0.556 nan 8.230 nan 0.000 0.429 417 I N 4.430 125.155 120.570 0.258 0.000 2.465 417 I HA 0.274 4.444 4.170 -0.001 0.000 0.291 417 I C -0.553 175.773 176.117 0.348 0.000 1.014 417 I CA -0.737 60.719 61.300 0.259 0.000 1.093 417 I CB 1.836 39.924 38.000 0.147 0.000 1.267 417 I HN 0.519 nan 8.210 nan 0.000 0.431 418 D N 7.506 128.065 120.400 0.266 0.000 2.325 418 D HA 0.217 4.857 4.640 -0.001 0.000 0.251 418 D C 0.439 176.685 176.300 -0.091 0.000 1.196 418 D CA -0.046 53.928 54.000 -0.045 0.000 0.866 418 D CB 1.091 41.844 40.800 -0.078 0.000 1.101 418 D HN 0.599 nan 8.370 nan 0.000 0.476 419 I N 1.179 121.637 120.570 -0.186 0.000 3.947 419 I HA 0.114 4.283 4.170 -0.001 0.000 0.327 419 I C 1.334 177.379 176.117 -0.120 0.000 1.519 419 I CA -0.474 60.760 61.300 -0.109 0.000 1.122 419 I CB 0.310 38.201 38.000 -0.182 0.000 1.146 419 I HN 0.133 nan 8.210 nan 0.000 0.442 420 S N 0.428 115.998 115.700 -0.217 0.000 2.555 420 S HA 0.207 4.677 4.470 -0.001 0.000 0.230 420 S C 1.056 175.601 174.600 -0.092 0.000 0.978 420 S CA 0.385 58.479 58.200 -0.177 0.000 0.934 420 S CB -0.488 62.558 63.200 -0.256 0.000 0.766 420 S HN 0.584 nan 8.310 nan 0.000 0.533 421 G N 0.291 109.051 108.800 -0.066 0.000 2.795 421 G HA2 0.447 4.406 3.960 -0.001 0.000 0.267 421 G HA3 0.447 4.406 3.960 -0.001 0.000 0.267 421 G C 0.124 175.030 174.900 0.010 0.000 1.362 421 G CA -0.332 44.752 45.100 -0.027 0.000 1.048 421 G HN 0.269 nan 8.290 nan 0.000 0.547 422 E N -0.831 119.378 120.200 0.014 0.000 2.158 422 E HA 0.009 4.359 4.350 -0.001 0.000 0.191 422 E C 0.171 176.795 176.600 0.041 0.000 0.982 422 E CA 0.564 56.980 56.400 0.026 0.000 0.823 422 E CB 0.115 29.825 29.700 0.016 0.000 0.766 422 E HN 0.505 nan 8.360 nan 0.000 0.468 423 E N 0.671 120.894 120.200 0.039 0.000 2.183 423 E HA 0.272 4.622 4.350 -0.001 0.000 0.271 423 E C -0.756 175.883 176.600 0.066 0.000 0.919 423 E CA -0.544 55.887 56.400 0.052 0.000 0.781 423 E CB 1.882 31.605 29.700 0.038 0.000 1.140 423 E HN 0.116 nan 8.360 nan 0.000 0.402 424 M N 2.610 122.268 119.600 0.097 0.000 2.219 424 M HA 0.196 4.676 4.480 -0.001 0.000 0.353 424 M C -0.231 176.118 176.300 0.082 0.000 1.304 424 M CA 0.663 56.028 55.300 0.108 0.000 1.115 424 M CB 0.299 32.993 32.600 0.157 0.000 1.664 424 M HN 0.121 nan 8.290 nan 0.000 0.459 425 K N 3.227 123.675 120.400 0.080 0.000 2.578 425 K HA 0.397 4.717 4.320 -0.001 0.000 0.250 425 K C -1.278 175.388 176.600 0.111 0.000 0.955 425 K CA -0.941 55.395 56.287 0.081 0.000 0.825 425 K CB 2.289 34.830 32.500 0.069 0.000 1.151 425 K HN 0.461 nan 8.250 nan 0.000 0.432 426 L N 3.423 124.704 121.223 0.097 0.000 2.514 426 L HA -0.022 4.317 4.340 -0.001 0.000 0.280 426 L C 0.246 177.197 176.870 0.136 0.000 1.223 426 L CA 0.851 55.756 54.840 0.107 0.000 0.864 426 L CB 0.844 42.941 42.059 0.064 0.000 1.118 426 L HN 0.630 nan 8.230 nan 0.000 0.494 427 V N 3.344 123.365 119.914 0.178 0.000 3.251 427 V HA 0.249 4.369 4.120 -0.001 0.000 0.239 427 V C 0.099 176.332 176.094 0.232 0.000 1.332 427 V CA 0.160 62.592 62.300 0.219 0.000 1.224 427 V CB -0.032 31.972 31.823 0.302 0.000 1.004 427 V HN 0.883 nan 8.190 nan 0.000 0.464 428 H N 0.338 119.456 119.070 0.080 0.000 2.974 428 H HA 0.459 5.014 4.556 -0.001 0.000 0.366 428 H C -1.987 173.384 175.328 0.072 0.000 1.155 428 H CA -0.379 55.705 56.048 0.060 0.000 1.186 428 H CB 2.514 32.290 29.762 0.024 0.000 1.799 428 H HN 0.147 nan 8.280 nan 0.000 0.541 429 D N 2.212 122.405 120.400 -0.346 0.000 2.441 429 D HA 0.330 4.969 4.640 -0.001 0.000 0.231 429 D C -0.056 176.250 176.300 0.009 0.000 1.073 429 D CA -0.066 53.894 54.000 -0.066 0.000 0.850 429 D CB 1.394 42.113 40.800 -0.135 0.000 1.062 429 D HN 0.642 nan 8.370 nan 0.000 0.524 430 G N 2.949 111.936 108.800 0.311 0.000 2.347 430 G HA2 0.482 4.441 3.960 -0.001 0.000 0.314 430 G HA3 0.482 4.441 3.960 -0.001 0.000 0.314 430 G C -2.595 172.387 174.900 0.137 0.000 1.126 430 G CA -1.389 43.895 45.100 0.307 0.000 0.929 430 G HN 0.170 nan 8.290 nan 0.000 0.441 431 P HA 0.301 nan 4.420 nan 0.000 0.281 431 P C -0.417 176.738 177.300 -0.240 0.000 1.252 431 P CA -0.039 62.726 63.100 -0.558 0.000 0.778 431 P CB 1.717 32.727 31.700 -1.151 0.000 0.895 432 T N 3.024 117.494 114.554 -0.139 0.000 2.907 432 T HA 0.322 4.672 4.350 -0.001 0.000 0.292 432 T C -0.810 173.903 174.700 0.021 0.000 1.043 432 T CA -0.239 61.839 62.100 -0.037 0.000 1.003 432 T CB 1.127 70.018 68.868 0.038 0.000 1.084 432 T HN 0.274 nan 8.240 nan 0.000 0.483 433 Y N 2.025 122.285 120.300 -0.067 0.000 2.374 433 Y HA 0.484 5.033 4.550 -0.001 0.000 0.322 433 Y C 0.627 176.502 175.900 -0.042 0.000 1.275 433 Y CA -0.445 57.623 58.100 -0.053 0.000 1.307 433 Y CB 0.480 38.906 38.460 -0.058 0.000 1.282 433 Y HN 0.994 nan 8.280 nan 0.000 0.509 434 A N 3.935 126.110 122.820 -1.075 0.000 1.949 434 A HA -0.298 4.021 4.320 -0.001 0.000 0.255 434 A C 0.509 177.893 177.584 -0.333 0.000 1.286 434 A CA 1.265 52.816 52.037 -0.810 0.000 0.755 434 A CB -1.980 16.530 19.000 -0.817 0.000 1.161 434 A HN 0.900 nan 8.150 nan 0.000 0.308 435 E N 0.118 120.203 120.200 -0.193 0.000 0.806 435 E HA -0.200 4.150 4.350 -0.001 0.000 0.314 435 E C -1.685 174.846 176.600 -0.114 0.000 0.808 435 E CA 0.667 56.999 56.400 -0.114 0.000 1.138 435 E CB -0.110 29.549 29.700 -0.068 0.000 0.665 435 E HN 0.622 nan 8.360 nan 0.000 0.327 436 P HA 0.096 nan 4.420 nan 0.000 0.279 436 P C -0.259 176.967 177.300 -0.123 0.000 1.252 436 P CA -0.190 62.938 63.100 0.048 0.000 0.811 436 P CB 1.067 32.909 31.700 0.236 0.000 1.035 437 H N -0.563 118.445 119.070 -0.104 0.000 2.570 437 H HA 0.194 4.750 4.556 -0.000 0.000 0.268 437 H C -0.143 175.013 175.328 -0.286 0.000 1.175 437 H CA 0.357 56.350 56.048 -0.090 0.000 1.686 437 H CB -0.067 29.608 29.762 -0.145 0.000 1.456 437 H HN 0.428 nan 8.280 nan 0.000 0.592 438 D N 0.414 120.513 120.400 -0.501 0.000 2.272 438 D HA 0.344 4.984 4.640 -0.001 0.000 0.247 438 D C -0.488 175.461 176.300 -0.584 0.000 0.990 438 D CA -0.417 53.135 54.000 -0.746 0.000 0.931 438 D CB 1.613 41.793 40.800 -1.033 0.000 1.195 438 D HN 0.461 nan 8.370 nan 0.000 0.477 439 C N 1.775 120.647 119.300 -0.713 0.000 3.154 439 C HA 0.851 5.311 4.460 -0.001 0.000 0.312 439 C C -0.804 173.652 174.990 -0.889 0.000 1.349 439 C CA -0.934 57.590 59.018 -0.823 0.000 1.518 439 C CB 0.193 27.010 27.740 -1.540 0.000 1.934 439 C HN 0.677 nan 8.230 nan 0.000 0.462 440 I N 1.261 121.491 120.570 -0.566 0.000 2.619 440 I HA 0.657 4.826 4.170 -0.001 0.000 0.292 440 I C -1.372 174.740 176.117 -0.008 0.000 1.100 440 I CA -1.006 60.032 61.300 -0.437 0.000 1.043 440 I CB 1.654 39.538 38.000 -0.192 0.000 1.239 440 I HN 0.777 nan 8.210 nan 0.000 0.420 441 L N 7.497 128.872 121.223 0.253 0.000 2.331 441 L HA 0.763 5.103 4.340 -0.001 0.000 0.275 441 L C -0.838 176.288 176.870 0.426 0.000 1.022 441 L CA -0.983 54.046 54.840 0.315 0.000 0.812 441 L CB 1.819 44.055 42.059 0.296 0.000 1.257 441 L HN 0.440 nan 8.230 nan 0.000 0.435 442 V N -0.502 119.673 119.914 0.435 0.000 2.888 442 V HA 0.544 4.664 4.120 -0.001 0.000 0.309 442 V C -0.280 176.063 176.094 0.414 0.000 1.114 442 V CA -1.111 61.475 62.300 0.478 0.000 0.940 442 V CB 1.786 33.828 31.823 0.365 0.000 1.021 442 V HN 0.709 nan 8.190 nan 0.000 0.426 443 R N 1.721 122.390 120.500 0.281 0.000 2.679 443 R HA 0.194 4.533 4.340 -0.001 0.000 0.268 443 R C 1.561 177.888 176.300 0.046 0.000 1.044 443 R CA 0.222 56.294 56.100 -0.048 0.000 1.105 443 R CB 0.555 30.811 30.300 -0.074 0.000 0.989 443 R HN 0.911 nan 8.270 nan 0.000 0.447 444 R N 1.804 122.228 120.500 -0.128 0.000 2.139 444 R HA -0.205 4.135 4.340 -0.001 0.000 0.243 444 R C 0.862 177.220 176.300 0.097 0.000 1.145 444 R CA 2.516 58.553 56.100 -0.105 0.000 0.976 444 R CB -0.096 30.070 30.300 -0.223 0.000 0.866 444 R HN 0.758 nan 8.270 nan 0.000 0.449 445 D N -0.922 119.507 120.400 0.049 0.000 2.323 445 D HA -0.121 4.519 4.640 -0.001 0.000 0.209 445 D C 1.221 177.582 176.300 0.102 0.000 0.973 445 D CA 0.462 54.502 54.000 0.066 0.000 0.874 445 D CB -0.081 40.733 40.800 0.022 0.000 0.930 445 D HN 0.370 nan 8.370 nan 0.000 0.521 446 Q N -0.223 119.664 119.800 0.145 0.000 2.515 446 Q HA 0.075 4.414 4.340 -0.001 0.000 0.212 446 Q C -0.022 176.064 176.000 0.142 0.000 0.970 446 Q CA 0.384 56.284 55.803 0.161 0.000 0.941 446 Q CB 0.530 29.413 28.738 0.241 0.000 0.998 446 Q HN 0.395 nan 8.270 nan 0.000 0.518 447 I N 1.240 121.902 120.570 0.153 0.000 2.436 447 I HA 0.251 4.421 4.170 -0.001 0.000 0.289 447 I C -0.417 175.728 176.117 0.046 0.000 1.010 447 I CA -0.619 60.721 61.300 0.067 0.000 1.098 447 I CB 1.802 39.777 38.000 -0.041 0.000 1.266 447 I HN -0.107 nan 8.210 nan 0.000 0.434 448 K N 4.910 125.305 120.400 -0.008 0.000 2.347 448 K HA 0.434 4.754 4.320 -0.001 0.000 0.262 448 K C -0.235 176.337 176.600 -0.047 0.000 1.052 448 K CA -0.389 55.889 56.287 -0.015 0.000 0.946 448 K CB 1.331 33.817 32.500 -0.024 0.000 1.220 448 K HN 0.480 nan 8.250 nan 0.000 0.450 449 T N 2.225 116.758 114.554 -0.035 0.000 2.913 449 T HA 0.250 4.599 4.350 -0.001 0.000 0.287 449 T C 0.055 174.719 174.700 -0.060 0.000 1.008 449 T CA -0.516 61.549 62.100 -0.058 0.000 1.067 449 T CB 1.027 69.874 68.868 -0.035 0.000 0.996 449 T HN 0.286 nan 8.240 nan 0.000 0.513 450 K N 1.189 121.532 120.400 -0.094 0.000 2.208 450 K HA 0.446 4.765 4.320 -0.001 0.000 0.247 450 K C 0.375 176.912 176.600 -0.106 0.000 0.953 450 K CA -0.838 55.387 56.287 -0.104 0.000 0.837 450 K CB 1.492 33.899 32.500 -0.154 0.000 1.131 450 K HN 0.241 nan 8.250 nan 0.000 0.431 451 K N 0.779 121.131 120.400 -0.079 0.000 2.370 451 K HA 0.250 4.570 4.320 -0.001 0.000 0.194 451 K C 0.176 176.742 176.600 -0.056 0.000 1.070 451 K CA 0.274 56.528 56.287 -0.057 0.000 0.998 451 K CB 0.349 32.836 32.500 -0.022 0.000 0.911 451 K HN 0.605 nan 8.250 nan 0.000 0.533 452 I N -3.453 117.079 120.570 -0.063 0.000 2.994 452 I HA 0.440 4.610 4.170 -0.001 0.000 0.306 452 I C -1.091 175.014 176.117 -0.019 0.000 1.195 452 I CA -1.358 59.941 61.300 -0.000 0.000 1.001 452 I CB 1.555 39.589 38.000 0.055 0.000 1.244 452 I HN -0.253 nan 8.210 nan 0.000 0.437 453 Y N 1.610 121.971 120.300 0.101 0.000 2.301 453 Y HA 0.398 4.948 4.550 -0.001 0.000 0.328 453 Y C 0.330 176.328 175.900 0.164 0.000 1.242 453 Y CA 0.061 58.263 58.100 0.170 0.000 1.323 453 Y CB 0.867 39.514 38.460 0.312 0.000 1.266 453 Y HN 0.495 nan 8.280 nan 0.000 0.527 454 E N 2.001 122.397 120.200 0.326 0.000 2.216 454 E HA 0.225 4.575 4.350 -0.001 0.000 0.279 454 E C 0.406 177.191 176.600 0.308 0.000 0.997 454 E CA -0.814 55.718 56.400 0.220 0.000 0.817 454 E CB 1.025 30.793 29.700 0.114 0.000 1.096 454 E HN 0.474 nan 8.360 nan 0.000 0.393 455 R N 1.479 122.136 120.500 0.263 0.000 2.355 455 R HA -0.146 4.194 4.340 -0.001 0.000 0.219 455 R C 0.835 177.282 176.300 0.244 0.000 1.107 455 R CA 0.967 57.259 56.100 0.320 0.000 1.021 455 R CB -0.842 29.570 30.300 0.186 0.000 0.852 455 R HN 0.641 nan 8.270 nan 0.000 0.475 456 N N -0.629 118.128 118.700 0.094 0.000 2.234 456 N HA -0.006 4.734 4.740 -0.001 0.000 0.227 456 N C -0.310 175.113 175.510 -0.144 0.000 1.151 456 N CA -0.443 52.599 53.050 -0.014 0.000 0.865 456 N CB 0.440 38.931 38.487 0.005 0.000 1.066 456 N HN -0.139 nan 8.380 nan 0.000 0.515 457 D N 1.742 121.978 120.400 -0.273 0.000 2.443 457 D HA 0.045 4.684 4.640 -0.001 0.000 0.239 457 D C -1.422 174.578 176.300 -0.500 0.000 1.136 457 D CA -1.425 52.378 54.000 -0.328 0.000 0.879 457 D CB 1.583 42.276 40.800 -0.178 0.000 1.195 457 D HN 0.085 nan 8.370 nan 0.000 0.443 458 P HA -0.102 nan 4.420 nan 0.000 0.226 458 P C 0.846 178.113 177.300 -0.054 0.000 1.153 458 P CA 0.499 63.523 63.100 -0.125 0.000 0.777 458 P CB -0.045 31.637 31.700 -0.031 0.000 0.794 459 Y N 0.674 120.837 120.300 -0.229 0.000 2.639 459 Y HA -0.036 4.514 4.550 -0.001 0.000 0.297 459 Y C 0.663 176.590 175.900 0.045 0.000 1.151 459 Y CA 0.207 58.287 58.100 -0.033 0.000 1.335 459 Y CB -0.788 37.765 38.460 0.156 0.000 0.994 459 Y HN 0.008 nan 8.280 nan 0.000 0.548 460 F N -4.737 115.223 119.950 0.016 0.000 2.779 460 F HA 0.584 5.111 4.527 -0.001 0.000 0.345 460 F C 1.160 176.952 175.800 -0.013 0.000 1.270 460 F CA -0.343 57.605 58.000 -0.088 0.000 1.074 460 F CB -1.005 37.891 39.000 -0.173 0.000 1.268 460 F HN -0.192 nan 8.300 nan 0.000 0.508 461 A N 0.954 123.746 122.820 -0.047 0.000 1.940 461 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 461 A C 2.359 179.973 177.584 0.050 0.000 1.176 461 A CA 2.465 54.492 52.037 -0.016 0.000 0.631 461 A CB -1.021 17.953 19.000 -0.044 0.000 0.814 461 A HN 0.581 nan 8.150 nan 0.000 0.446 462 S N -0.944 114.792 115.700 0.061 0.000 2.402 462 S HA -0.179 4.290 4.470 -0.001 0.000 0.229 462 S C 1.904 176.571 174.600 0.112 0.000 1.021 462 S CA 1.202 59.442 58.200 0.066 0.000 0.974 462 S CB -1.241 61.989 63.200 0.049 0.000 0.800 462 S HN 0.597 nan 8.310 nan 0.000 0.484 463 C N 3.258 122.658 119.300 0.168 0.000 2.442 463 C HA -0.044 4.415 4.460 -0.001 0.000 0.279 463 C C 3.048 178.110 174.990 0.121 0.000 1.237 463 C CA 1.175 60.337 59.018 0.239 0.000 1.722 463 C CB -1.159 26.745 27.740 0.274 0.000 2.056 463 C HN 0.770 nan 8.230 nan 0.000 0.469 464 R N 1.895 122.476 120.500 0.135 0.000 2.189 464 R HA 0.033 4.373 4.340 -0.001 0.000 0.223 464 R C 1.967 178.281 176.300 0.022 0.000 1.092 464 R CA 1.489 57.632 56.100 0.071 0.000 0.989 464 R CB -0.538 29.829 30.300 0.111 0.000 0.876 464 R HN 0.452 nan 8.270 nan 0.000 0.457 465 A N 1.488 124.328 122.820 0.034 0.000 1.873 465 A HA -0.203 4.117 4.320 -0.001 0.000 0.215 465 A C 2.212 179.792 177.584 -0.006 0.000 1.186 465 A CA 1.402 53.446 52.037 0.011 0.000 0.616 465 A CB -0.411 18.601 19.000 0.020 0.000 0.823 465 A HN 0.363 nan 8.150 nan 0.000 0.442 466 Q N -0.016 119.788 119.800 0.005 0.000 2.167 466 Q HA 0.028 4.368 4.340 -0.001 0.000 0.202 466 Q C 1.969 177.932 176.000 -0.060 0.000 0.970 466 Q CA 1.919 57.717 55.803 -0.009 0.000 0.855 466 Q CB -0.618 28.136 28.738 0.027 0.000 0.911 466 Q HN 0.538 nan 8.270 nan 0.000 0.438 467 A N 0.284 123.048 122.820 -0.093 0.000 1.865 467 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 467 A C 2.059 179.522 177.584 -0.203 0.000 1.191 467 A CA 1.865 53.769 52.037 -0.222 0.000 0.623 467 A CB -0.894 18.001 19.000 -0.175 0.000 0.826 467 A HN 0.497 nan 8.150 nan 0.000 0.444 468 E N 0.329 120.460 120.200 -0.115 0.000 2.070 468 E HA -0.213 4.137 4.350 -0.001 0.000 0.197 468 E C 1.949 178.493 176.600 -0.092 0.000 1.004 468 E CA 2.085 58.430 56.400 -0.093 0.000 0.805 468 E CB -0.249 29.419 29.700 -0.053 0.000 0.744 468 E HN 0.619 nan 8.360 nan 0.000 0.451 469 K N -0.091 120.265 120.400 -0.075 0.000 2.097 469 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 469 K C 1.510 178.059 176.600 -0.085 0.000 1.049 469 K CA 1.356 57.605 56.287 -0.063 0.000 0.933 469 K CB -0.081 32.395 32.500 -0.040 0.000 0.717 469 K HN 0.206 nan 8.250 nan 0.000 0.442 470 D N -0.370 119.956 120.400 -0.124 0.000 2.363 470 D HA -0.004 4.636 4.640 -0.001 0.000 0.220 470 D C 0.746 176.927 176.300 -0.199 0.000 0.994 470 D CA 0.734 54.638 54.000 -0.160 0.000 0.890 470 D CB 0.358 41.026 40.800 -0.220 0.000 0.906 470 D HN 0.398 nan 8.370 nan 0.000 0.530 471 G N 1.181 109.870 108.800 -0.185 0.000 2.225 471 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.264 471 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.264 471 G C 0.375 175.139 174.900 -0.227 0.000 1.060 471 G CA 0.565 45.564 45.100 -0.169 0.000 0.833 471 G HN 0.397 nan 8.290 nan 0.000 0.498 472 V N -3.382 116.338 119.914 -0.324 0.000 2.815 472 V HA 0.947 5.066 4.120 -0.001 0.000 0.314 472 V C 0.184 176.109 176.094 -0.282 0.000 1.064 472 V CA -0.469 61.599 62.300 -0.386 0.000 0.952 472 V CB 2.282 33.653 31.823 -0.753 0.000 1.020 472 V HN 0.403 nan 8.190 nan 0.000 0.439 473 T N 4.822 119.248 114.554 -0.213 0.000 2.947 473 T HA 0.451 4.801 4.350 -0.001 0.000 0.337 473 T C 1.231 175.859 174.700 -0.120 0.000 1.139 473 T CA -0.272 61.747 62.100 -0.134 0.000 0.992 473 T CB 0.781 69.594 68.868 -0.091 0.000 1.043 473 T HN 0.649 nan 8.240 nan 0.000 0.498 474 L N 1.829 122.990 121.223 -0.103 0.000 2.089 474 L HA -0.218 4.122 4.340 -0.001 0.000 0.213 474 L C 2.193 179.037 176.870 -0.044 0.000 1.079 474 L CA 1.566 56.372 54.840 -0.057 0.000 0.758 474 L CB -0.375 41.665 42.059 -0.031 0.000 0.891 474 L HN 0.543 nan 8.230 nan 0.000 0.433 475 E N -0.749 119.429 120.200 -0.038 0.000 2.427 475 E HA -0.087 4.263 4.350 -0.001 0.000 0.196 475 E C 1.708 178.294 176.600 -0.023 0.000 1.028 475 E CA 1.014 57.399 56.400 -0.025 0.000 0.864 475 E CB 0.134 29.828 29.700 -0.009 0.000 0.813 475 E HN 0.573 nan 8.360 nan 0.000 0.514 476 S N -1.668 114.011 115.700 -0.035 0.000 2.661 476 S HA 0.139 4.608 4.470 -0.001 0.000 0.275 476 S C 0.172 174.747 174.600 -0.041 0.000 1.075 476 S CA -0.604 57.578 58.200 -0.031 0.000 1.251 476 S CB 0.452 63.635 63.200 -0.029 0.000 1.167 476 S HN -0.101 nan 8.310 nan 0.000 0.648 477 D N 2.931 123.293 120.400 -0.064 0.000 2.283 477 D HA 0.430 5.069 4.640 -0.001 0.000 0.248 477 D C -0.634 175.636 176.300 -0.050 0.000 1.072 477 D CA -0.052 53.902 54.000 -0.077 0.000 0.929 477 D CB 0.595 41.309 40.800 -0.145 0.000 1.182 477 D HN 0.147 nan 8.370 nan 0.000 0.433 478 N N 1.754 120.428 118.700 -0.042 0.000 2.707 478 N HA 0.146 4.886 4.740 -0.001 0.000 0.249 478 N C -0.910 174.583 175.510 -0.029 0.000 1.299 478 N CA -0.291 52.746 53.050 -0.022 0.000 0.769 478 N CB 1.275 39.759 38.487 -0.006 0.000 1.236 478 N HN 0.189 nan 8.380 nan 0.000 0.524 479 K N 0.055 120.438 120.400 -0.028 0.000 2.340 479 K HA 0.641 4.961 4.320 -0.001 0.000 0.244 479 K C -0.558 176.042 176.600 0.001 0.000 0.973 479 K CA -0.883 55.385 56.287 -0.032 0.000 0.828 479 K CB 2.710 35.155 32.500 -0.091 0.000 1.226 479 K HN -0.125 nan 8.250 nan 0.000 0.437 480 V N 3.372 123.278 119.914 -0.014 0.000 2.325 480 V HA 0.342 4.462 4.120 -0.001 0.000 0.280 480 V C -0.594 175.501 176.094 0.001 0.000 1.016 480 V CA -0.651 61.635 62.300 -0.023 0.000 0.818 480 V CB 0.700 32.517 31.823 -0.011 0.000 1.019 480 V HN 0.595 nan 8.190 nan 0.000 0.434 481 I N 5.306 125.891 120.570 0.024 0.000 2.321 481 I HA 0.495 4.665 4.170 -0.001 0.000 0.291 481 I C 0.373 176.495 176.117 0.008 0.000 0.998 481 I CA -0.425 60.884 61.300 0.016 0.000 1.227 481 I CB 1.187 39.209 38.000 0.037 0.000 1.368 481 I HN 0.430 nan 8.210 nan 0.000 0.466 482 R N 4.165 124.666 120.500 0.002 0.000 2.294 482 R HA 0.298 4.638 4.340 -0.001 0.000 0.319 482 R C -0.815 175.483 176.300 -0.004 0.000 0.984 482 R CA -0.641 55.459 56.100 0.000 0.000 0.861 482 R CB 1.310 31.613 30.300 0.006 0.000 1.104 482 R HN 0.440 nan 8.270 nan 0.000 0.451 483 D N 2.829 123.225 120.400 -0.007 0.000 2.441 483 D HA 0.224 4.864 4.640 -0.001 0.000 0.287 483 D C 0.915 177.209 176.300 -0.010 0.000 1.198 483 D CA 0.360 54.355 54.000 -0.009 0.000 0.894 483 D CB 0.657 41.452 40.800 -0.009 0.000 1.070 483 D HN 0.740 nan 8.370 nan 0.000 0.499 484 G N 3.891 112.686 108.800 -0.007 0.000 2.675 484 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.312 484 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.312 484 G C 1.005 175.902 174.900 -0.006 0.000 1.186 484 G CA 0.302 45.398 45.100 -0.006 0.000 0.965 484 G HN 0.496 nan 8.290 nan 0.000 0.548 485 N N 1.842 120.537 118.700 -0.009 0.000 2.299 485 N HA 0.104 4.844 4.740 -0.001 0.000 0.187 485 N C 0.608 176.105 175.510 -0.022 0.000 1.099 485 N CA 0.631 53.675 53.050 -0.010 0.000 0.867 485 N CB 0.448 38.929 38.487 -0.009 0.000 0.974 485 N HN 0.565 nan 8.380 nan 0.000 0.477 486 K N 0.827 121.211 120.400 -0.027 0.000 2.098 486 K HA 0.528 4.848 4.320 -0.001 0.000 0.261 486 K C -0.588 175.987 176.600 -0.041 0.000 0.987 486 K CA -0.434 55.826 56.287 -0.045 0.000 0.916 486 K CB 2.408 34.883 32.500 -0.041 0.000 1.039 486 K HN -0.299 nan 8.250 nan 0.000 0.455 487 V N 2.911 122.784 119.914 -0.068 0.000 2.567 487 V HA 0.280 4.399 4.120 -0.001 0.000 0.298 487 V C -0.737 175.292 176.094 -0.109 0.000 1.047 487 V CA -0.827 61.437 62.300 -0.060 0.000 0.880 487 V CB 1.568 33.372 31.823 -0.032 0.000 1.009 487 V HN 0.679 nan 8.190 nan 0.000 0.429 488 R N 3.266 123.723 120.500 -0.072 0.000 2.229 488 R HA 0.666 5.006 4.340 -0.001 0.000 0.332 488 R C -1.023 175.187 176.300 -0.149 0.000 0.989 488 R CA -0.495 55.544 56.100 -0.101 0.000 0.842 488 R CB 1.988 32.295 30.300 0.012 0.000 1.119 488 R HN 0.516 nan 8.270 nan 0.000 0.456 489 V N 4.902 124.621 119.914 -0.324 0.000 2.394 489 V HA 0.280 4.399 4.120 -0.001 0.000 0.282 489 V C -0.774 175.082 176.094 -0.396 0.000 1.031 489 V CA -0.684 61.376 62.300 -0.400 0.000 0.881 489 V CB 0.862 32.208 31.823 -0.796 0.000 0.982 489 V HN 0.570 nan 8.190 nan 0.000 0.451 490 Y N 4.862 125.020 120.300 -0.237 0.000 2.328 490 Y HA 0.699 5.248 4.550 -0.001 0.000 0.337 490 Y C 0.245 176.018 175.900 -0.211 0.000 0.966 490 Y CA -0.467 57.515 58.100 -0.195 0.000 1.136 490 Y CB 1.703 40.036 38.460 -0.212 0.000 1.170 490 Y HN 0.492 nan 8.280 nan 0.000 0.470 491 M N 1.726 121.263 119.600 -0.105 0.000 2.644 491 M HA 0.486 4.965 4.480 -0.001 0.000 0.304 491 M C -0.426 175.851 176.300 -0.038 0.000 1.215 491 M CA -0.707 54.534 55.300 -0.098 0.000 0.871 491 M CB 2.729 35.207 32.600 -0.204 0.000 1.740 491 M HN 0.605 nan 8.290 nan 0.000 0.464 492 T N 0.688 115.246 114.554 0.007 0.000 2.912 492 T HA 0.758 5.108 4.350 -0.001 0.000 0.288 492 T C -1.106 173.620 174.700 0.042 0.000 1.030 492 T CA -0.538 61.568 62.100 0.010 0.000 1.020 492 T CB 1.120 69.989 68.868 0.003 0.000 1.056 492 T HN 0.756 nan 8.240 nan 0.000 0.480 493 S N 1.942 117.647 115.700 0.008 0.000 2.547 493 S HA 0.817 5.287 4.470 -0.001 0.000 0.281 493 S C -0.765 173.793 174.600 -0.070 0.000 1.118 493 S CA -0.602 57.556 58.200 -0.071 0.000 0.947 493 S CB 1.109 64.214 63.200 -0.160 0.000 1.053 493 S HN 1.366 nan 8.310 nan 0.000 0.482 494 V N -1.052 118.799 119.914 -0.105 0.000 3.147 494 V HA 0.958 5.077 4.120 -0.001 0.000 0.299 494 V C 0.507 176.595 176.094 -0.011 0.000 1.302 494 V CA -0.446 61.862 62.300 0.014 0.000 1.015 494 V CB 0.381 32.219 31.823 0.025 0.000 1.086 494 V HN 2.681 nan 8.190 nan 0.000 0.437 495 A N 2.821 125.698 122.820 0.094 0.000 5.778 495 A HA -0.099 4.221 4.320 -0.001 0.000 0.313 495 A C -1.609 175.917 177.584 -0.096 0.000 1.849 495 A CA 1.352 53.413 52.037 0.039 0.000 0.746 495 A CB -2.595 16.386 19.000 -0.033 0.000 1.308 495 A HN 1.455 nan 8.150 nan 0.000 0.397 496 P HA 0.270 nan 4.420 nan 0.000 0.228 496 P C -0.426 176.716 177.300 -0.263 0.000 1.764 496 P CA 0.513 63.418 63.100 -0.325 0.000 0.929 496 P CB -0.033 31.348 31.700 -0.533 0.000 1.675 497 Q N -0.277 119.364 119.800 -0.264 0.000 2.416 497 Q HA 0.414 4.753 4.340 -0.001 0.000 0.281 497 Q C -1.229 174.633 176.000 -0.231 0.000 1.067 497 Q CA -0.772 54.907 55.803 -0.207 0.000 0.809 497 Q CB 1.913 30.598 28.738 -0.088 0.000 1.418 497 Q HN 0.043 nan 8.270 nan 0.000 0.411 498 Y N -0.685 119.614 120.300 -0.001 0.000 2.352 498 Y HA 0.315 4.865 4.550 -0.001 0.000 0.326 498 Y C 1.371 177.287 175.900 0.026 0.000 1.166 498 Y CA -0.037 58.080 58.100 0.027 0.000 1.182 498 Y CB 1.331 39.891 38.460 0.166 0.000 1.216 498 Y HN 0.921 nan 8.280 nan 0.000 0.474 499 G N 1.989 110.895 108.800 0.178 0.000 2.586 499 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.215 499 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.215 499 G C 0.223 175.185 174.900 0.103 0.000 1.128 499 G CA 0.324 45.481 45.100 0.095 0.000 0.774 499 G HN 0.508 nan 8.290 nan 0.000 0.543 500 M N 0.016 119.712 119.600 0.159 0.000 2.446 500 M HA 0.393 4.873 4.480 -0.001 0.000 0.294 500 M C 0.285 176.753 176.300 0.281 0.000 1.158 500 M CA -0.441 54.953 55.300 0.158 0.000 0.899 500 M CB 2.270 34.919 32.600 0.083 0.000 1.687 500 M HN -0.009 nan 8.290 nan 0.000 0.455 501 T N -1.412 113.287 114.554 0.241 0.000 3.209 501 T HA 0.366 4.716 4.350 -0.001 0.000 0.295 501 T C -0.627 174.166 174.700 0.154 0.000 0.977 501 T CA -0.318 61.909 62.100 0.211 0.000 0.922 501 T CB 0.025 68.945 68.868 0.087 0.000 1.152 501 T HN 0.679 nan 8.240 nan 0.000 0.527 502 D N 0.407 120.968 120.400 0.268 0.000 2.747 502 D HA 0.420 5.060 4.640 -0.001 0.000 0.218 502 D C -1.700 174.785 176.300 0.307 0.000 1.230 502 D CA -0.445 53.663 54.000 0.181 0.000 0.774 502 D CB 1.845 42.658 40.800 0.021 0.000 1.667 502 D HN 0.250 nan 8.370 nan 0.000 0.499 503 F N 0.111 120.092 119.950 0.052 0.000 2.678 503 F HA 0.603 5.130 4.527 -0.001 0.000 0.308 503 F C -1.380 174.433 175.800 0.021 0.000 1.118 503 F CA -0.914 57.100 58.000 0.023 0.000 0.959 503 F CB 1.186 40.188 39.000 0.004 0.000 1.305 503 F HN -0.011 nan 8.300 nan 0.000 0.443 504 K N 2.185 122.649 120.400 0.107 0.000 2.203 504 K HA 0.842 5.162 4.320 -0.001 0.000 0.251 504 K C -1.100 175.557 176.600 0.094 0.000 0.944 504 K CA -1.043 55.247 56.287 0.005 0.000 0.829 504 K CB 2.673 35.180 32.500 0.012 0.000 1.125 504 K HN 0.765 nan 8.250 nan 0.000 0.430 505 V N -1.692 118.248 119.914 0.044 0.000 3.206 505 V HA 0.545 4.664 4.120 -0.001 0.000 0.305 505 V C -1.344 174.783 176.094 0.055 0.000 1.257 505 V CA -1.237 61.112 62.300 0.080 0.000 1.057 505 V CB 1.901 33.797 31.823 0.122 0.000 1.075 505 V HN 0.632 nan 8.190 nan 0.000 0.443 506 K N 0.774 121.207 120.400 0.055 0.000 2.156 506 K HA 0.442 4.762 4.320 -0.001 0.000 0.254 506 K C -0.324 176.315 176.600 0.065 0.000 0.950 506 K CA -0.574 55.743 56.287 0.051 0.000 0.849 506 K CB 2.148 34.670 32.500 0.036 0.000 1.100 506 K HN 0.977 nan 8.250 nan 0.000 0.434 507 E N 0.800 121.043 120.200 0.072 0.000 2.694 507 E HA -0.146 4.204 4.350 -0.001 0.000 0.250 507 E C 0.547 177.185 176.600 0.062 0.000 0.963 507 E CA 1.188 57.638 56.400 0.084 0.000 0.949 507 E CB -0.104 29.641 29.700 0.074 0.000 0.911 507 E HN 0.795 nan 8.360 nan 0.000 0.500 508 G N 3.857 112.698 108.800 0.069 0.000 2.195 508 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.246 508 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.246 508 G C -0.201 174.717 174.900 0.030 0.000 0.984 508 G CA 0.104 45.231 45.100 0.046 0.000 0.633 508 G HN 0.671 nan 8.290 nan 0.000 0.525 509 D N 0.681 121.100 120.400 0.031 0.000 2.399 509 D HA 0.379 5.019 4.640 -0.001 0.000 0.241 509 D C 0.650 176.927 176.300 -0.039 0.000 1.133 509 D CA 0.166 54.167 54.000 0.001 0.000 0.890 509 D CB 0.794 41.600 40.800 0.009 0.000 1.201 509 D HN 0.470 nan 8.370 nan 0.000 0.432 510 E N 1.479 121.636 120.200 -0.071 0.000 1.936 510 E HA 0.252 4.602 4.350 -0.001 0.000 0.267 510 E C -1.071 175.396 176.600 -0.221 0.000 1.076 510 E CA -0.576 55.747 56.400 -0.128 0.000 0.870 510 E CB 0.273 29.918 29.700 -0.092 0.000 1.093 510 E HN 0.080 nan 8.360 nan 0.000 0.411 511 V N 4.013 123.689 119.914 -0.397 0.000 2.461 511 V HA 0.217 4.337 4.120 -0.001 0.000 0.275 511 V C 0.265 175.939 176.094 -0.700 0.000 1.047 511 V CA -0.292 61.679 62.300 -0.549 0.000 0.955 511 V CB 1.468 32.878 31.823 -0.688 0.000 0.988 511 V HN 0.598 nan 8.190 nan 0.000 0.471 512 T N 4.565 118.840 114.554 -0.464 0.000 2.809 512 T HA 0.497 4.846 4.350 -0.001 0.000 0.284 512 T C -0.397 174.007 174.700 -0.492 0.000 0.992 512 T CA -0.345 61.481 62.100 -0.457 0.000 0.957 512 T CB 1.501 70.153 68.868 -0.360 0.000 0.942 512 T HN 0.350 nan 8.240 nan 0.000 0.439 513 V N 4.485 124.085 119.914 -0.524 0.000 2.394 513 V HA 0.433 4.553 4.120 -0.001 0.000 0.282 513 V C -1.037 174.619 176.094 -0.731 0.000 1.031 513 V CA -0.833 61.104 62.300 -0.606 0.000 0.881 513 V CB 0.647 32.077 31.823 -0.656 0.000 0.982 513 V HN 0.776 nan 8.190 nan 0.000 0.451 514 Y N 4.840 124.736 120.300 -0.672 0.000 2.331 514 Y HA 0.620 5.170 4.550 -0.001 0.000 0.338 514 Y C 0.050 175.669 175.900 -0.469 0.000 0.992 514 Y CA -0.995 56.773 58.100 -0.553 0.000 1.121 514 Y CB 1.452 39.533 38.460 -0.632 0.000 1.184 514 Y HN 0.338 nan 8.280 nan 0.000 0.469 515 I N 3.280 123.685 120.570 -0.275 0.000 2.436 515 I HA 0.320 4.490 4.170 -0.001 0.000 0.289 515 I C -0.321 175.700 176.117 -0.161 0.000 1.010 515 I CA -0.678 60.486 61.300 -0.227 0.000 1.098 515 I CB 1.741 39.594 38.000 -0.244 0.000 1.266 515 I HN 0.545 nan 8.210 nan 0.000 0.434 516 T N 4.896 119.384 114.554 -0.111 0.000 2.792 516 T HA 0.266 4.616 4.350 -0.001 0.000 0.280 516 T C 0.027 174.685 174.700 -0.070 0.000 0.990 516 T CA -0.567 61.452 62.100 -0.135 0.000 0.960 516 T CB 1.163 69.965 68.868 -0.111 0.000 0.939 516 T HN 0.429 nan 8.240 nan 0.000 0.439 517 N N 3.207 121.866 118.700 -0.068 0.000 2.420 517 N HA 0.251 4.991 4.740 -0.001 0.000 0.249 517 N C 0.774 176.299 175.510 0.026 0.000 1.033 517 N CA -0.557 52.513 53.050 0.032 0.000 0.944 517 N CB 0.408 38.946 38.487 0.085 0.000 1.113 517 N HN 0.535 nan 8.380 nan 0.000 0.502 518 L N 0.886 122.135 121.223 0.043 0.000 2.418 518 L HA 0.127 4.466 4.340 -0.001 0.000 0.218 518 L C 0.264 177.169 176.870 0.058 0.000 1.125 518 L CA 0.309 55.172 54.840 0.038 0.000 0.835 518 L CB -0.216 41.860 42.059 0.028 0.000 0.953 518 L HN 0.484 nan 8.230 nan 0.000 0.454 519 D N 0.800 121.252 120.400 0.087 0.000 2.449 519 D HA -0.003 4.636 4.640 -0.001 0.000 0.236 519 D C 0.885 177.220 176.300 0.057 0.000 1.149 519 D CA 0.701 54.749 54.000 0.079 0.000 0.878 519 D CB 1.379 42.236 40.800 0.095 0.000 1.198 519 D HN 0.159 nan 8.370 nan 0.000 0.446 520 M N 0.822 120.452 119.600 0.049 0.000 2.306 520 M HA 0.082 4.562 4.480 -0.001 0.000 0.292 520 M C -0.107 176.213 176.300 0.034 0.000 1.018 520 M CA -0.027 55.299 55.300 0.044 0.000 1.007 520 M CB 0.877 33.503 32.600 0.042 0.000 1.510 520 M HN -0.011 nan 8.290 nan 0.000 0.537 521 V N 2.477 122.410 119.914 0.031 0.000 2.508 521 V HA 0.208 4.327 4.120 -0.001 0.000 0.281 521 V C 0.900 177.002 176.094 0.014 0.000 1.041 521 V CA -0.310 62.003 62.300 0.023 0.000 1.016 521 V CB 0.020 31.858 31.823 0.026 0.000 0.984 521 V HN 0.530 nan 8.190 nan 0.000 0.478 522 E N 2.708 122.915 120.200 0.013 0.000 2.467 522 E HA 0.075 4.425 4.350 -0.001 0.000 0.264 522 E C 0.963 177.565 176.600 0.004 0.000 1.020 522 E CA 0.486 56.890 56.400 0.008 0.000 0.945 522 E CB -0.116 nan 29.700 nan 0.000 0.942 522 E HN 0.998 nan 8.360 nan 0.000 0.449 523 D N -0.571 119.829 120.400 0.001 0.000 2.880 523 D HA -0.179 4.461 4.640 -0.001 0.000 0.198 523 D C 0.179 176.468 176.300 -0.019 0.000 1.059 523 D CA 1.437 55.440 54.000 0.004 0.000 1.019 523 D CB -1.354 39.459 40.800 0.022 0.000 1.112 523 D HN 0.546 nan 8.370 nan 0.000 0.424 524 V N 2.137 122.025 119.914 -0.044 0.000 2.157 524 V HA 0.201 4.321 4.120 -0.001 0.000 0.241 524 V C 0.742 176.697 176.094 -0.232 0.000 1.349 524 V CA 0.623 62.858 62.300 -0.108 0.000 1.319 524 V CB 0.345 32.122 31.823 -0.077 0.000 1.421 524 V HN 0.112 nan 8.190 nan 0.000 0.501 525 T N 3.687 118.089 114.554 -0.254 0.000 2.907 525 T HA 0.514 4.863 4.350 -0.001 0.000 0.284 525 T C -0.269 174.182 174.700 -0.416 0.000 1.004 525 T CA -0.344 61.516 62.100 -0.400 0.000 1.063 525 T CB 1.238 69.715 68.868 -0.653 0.000 0.992 525 T HN 0.538 nan 8.240 nan 0.000 0.483 526 H N -0.326 118.654 119.070 -0.150 0.000 2.771 526 H HA 0.728 5.284 4.556 -0.001 0.000 0.367 526 H C 0.339 175.743 175.328 0.126 0.000 1.172 526 H CA -0.575 55.514 56.048 0.069 0.000 1.186 526 H CB 1.969 31.771 29.762 0.067 0.000 1.790 526 H HN 0.855 nan 8.280 nan 0.000 0.556 527 G N -0.221 108.913 108.800 0.557 0.000 3.015 527 G HA2 0.511 4.470 3.960 -0.001 0.000 0.281 527 G HA3 0.511 4.470 3.960 -0.001 0.000 0.281 527 G C -1.976 173.247 174.900 0.539 0.000 1.386 527 G CA -0.495 44.960 45.100 0.591 0.000 0.959 527 G HN 0.348 nan 8.290 nan 0.000 0.522 528 F N -0.351 119.731 119.950 0.219 0.000 2.605 528 F HA 0.585 5.112 4.527 -0.001 0.000 0.320 528 F C -1.058 174.718 175.800 -0.040 0.000 1.159 528 F CA -1.378 56.682 58.000 0.100 0.000 0.999 528 F CB 1.639 40.654 39.000 0.024 0.000 1.258 528 F HN 0.650 nan 8.300 nan 0.000 0.464 529 C N 8.128 126.903 119.300 -0.875 0.000 2.607 529 C HA 0.750 5.209 4.460 -0.001 0.000 0.350 529 C C -1.278 173.235 174.990 -0.796 0.000 1.101 529 C CA -0.662 57.898 59.018 -0.763 0.000 1.282 529 C CB 0.560 27.860 27.740 -0.734 0.000 1.825 529 C HN 0.922 nan 8.230 nan 0.000 0.460 530 M N 6.736 125.951 119.600 -0.641 0.000 2.088 530 M HA 0.525 5.005 4.480 -0.001 0.000 0.346 530 M C -0.414 175.779 176.300 -0.179 0.000 1.111 530 M CA -0.200 54.839 55.300 -0.435 0.000 1.017 530 M CB 1.097 33.285 32.600 -0.686 0.000 1.568 530 M HN 0.559 nan 8.290 nan 0.000 0.445 531 V N 7.376 127.325 119.914 0.058 0.000 2.617 531 V HA 0.019 4.139 4.120 -0.001 0.000 0.304 531 V C 0.693 176.900 176.094 0.188 0.000 1.040 531 V CA 0.385 62.786 62.300 0.169 0.000 1.149 531 V CB -0.350 31.635 31.823 0.269 0.000 0.914 531 V HN 1.077 nan 8.190 nan 0.000 0.487 532 N N 2.237 120.994 118.700 0.095 0.000 2.800 532 N HA -0.206 4.534 4.740 -0.001 0.000 0.250 532 N C 0.272 175.653 175.510 -0.215 0.000 1.078 532 N CA 1.428 54.474 53.050 -0.007 0.000 0.804 532 N CB -1.389 37.128 38.487 0.050 0.000 1.135 532 N HN 0.939 nan 8.380 nan 0.000 0.565 533 H N -1.119 117.790 119.070 -0.268 0.000 2.784 533 H HA 0.437 4.993 4.556 -0.001 0.000 0.273 533 H C 1.386 176.560 175.328 -0.257 0.000 1.112 533 H CA 0.394 56.230 56.048 -0.353 0.000 1.162 533 H CB 0.378 29.716 29.762 -0.705 0.000 1.586 533 H HN 0.307 nan 8.280 nan 0.000 0.548 534 G N 1.205 109.945 108.800 -0.099 0.000 2.356 534 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.296 534 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.296 534 G C -0.356 174.509 174.900 -0.058 0.000 1.022 534 G CA 0.700 45.762 45.100 -0.063 0.000 0.961 534 G HN 0.267 nan 8.290 nan 0.000 0.510 535 V N -0.531 119.318 119.914 -0.109 0.000 2.735 535 V HA 0.909 5.028 4.120 -0.001 0.000 0.310 535 V C 0.122 176.160 176.094 -0.092 0.000 1.061 535 V CA 0.027 62.274 62.300 -0.088 0.000 0.913 535 V CB 2.239 33.962 31.823 -0.168 0.000 1.005 535 V HN 0.992 nan 8.190 nan 0.000 0.428 536 S N 5.239 120.938 115.700 -0.002 0.000 2.542 536 S HA 0.853 5.323 4.470 -0.001 0.000 0.276 536 S C -1.173 173.509 174.600 0.137 0.000 1.148 536 S CA -0.586 57.633 58.200 0.032 0.000 0.886 536 S CB 1.499 64.711 63.200 0.020 0.000 1.109 536 S HN 1.001 nan 8.310 nan 0.000 0.458 537 M N 1.943 121.678 119.600 0.225 0.000 2.603 537 M HA 0.617 5.096 4.480 -0.001 0.000 0.275 537 M C -1.414 175.079 176.300 0.322 0.000 1.226 537 M CA -0.738 54.707 55.300 0.242 0.000 0.870 537 M CB 1.779 34.462 32.600 0.139 0.000 1.716 537 M HN 0.579 nan 8.290 nan 0.000 0.482 538 E N 1.706 122.032 120.200 0.210 0.000 2.231 538 E HA 0.644 4.994 4.350 -0.001 0.000 0.277 538 E C -1.639 174.879 176.600 -0.136 0.000 0.999 538 E CA -0.674 55.688 56.400 -0.063 0.000 0.827 538 E CB 1.291 30.927 29.700 -0.106 0.000 1.101 538 E HN 0.735 nan 8.360 nan 0.000 0.393 539 I N 3.035 123.465 120.570 -0.233 0.000 2.649 539 I HA 0.145 4.314 4.170 -0.001 0.000 0.275 539 I C -0.293 175.716 176.117 -0.181 0.000 1.153 539 I CA -0.320 60.880 61.300 -0.167 0.000 1.069 539 I CB 1.527 39.495 38.000 -0.053 0.000 1.227 539 I HN 0.236 nan 8.210 nan 0.000 0.505 540 S N 4.407 120.007 115.700 -0.166 0.000 2.624 540 S HA 0.374 4.843 4.470 -0.001 0.000 0.263 540 S C -2.330 172.285 174.600 0.025 0.000 1.287 540 S CA -0.920 57.238 58.200 -0.071 0.000 0.990 540 S CB 0.356 63.619 63.200 0.106 0.000 0.950 540 S HN 0.265 nan 8.310 nan 0.000 0.561 541 P HA -0.055 nan 4.420 nan 0.000 0.259 541 P C -0.071 177.316 177.300 0.144 0.000 1.155 541 P CA 0.931 64.078 63.100 0.080 0.000 0.759 541 P CB 0.098 31.839 31.700 0.068 0.000 0.753 542 Q N -1.317 118.527 119.800 0.074 0.000 2.348 542 Q HA -0.272 4.068 4.340 -0.001 0.000 0.221 542 Q C 0.194 176.162 176.000 -0.054 0.000 0.735 542 Q CA 1.385 57.226 55.803 0.065 0.000 1.351 542 Q CB -1.658 27.176 28.738 0.161 0.000 1.640 542 Q HN 0.689 nan 8.270 nan 0.000 0.667 543 Q N -0.018 119.653 119.800 -0.216 0.000 2.205 543 Q HA 0.493 4.832 4.340 -0.001 0.000 0.249 543 Q C -0.758 174.766 176.000 -0.794 0.000 0.948 543 Q CA -0.001 55.382 55.803 -0.700 0.000 0.895 543 Q CB 1.162 29.446 28.738 -0.756 0.000 1.249 543 Q HN 0.075 nan 8.270 nan 0.000 0.458 544 T N 1.340 115.130 114.554 -1.273 0.000 2.881 544 T HA 0.756 5.106 4.350 -0.001 0.000 0.290 544 T C -1.499 172.867 174.700 -0.556 0.000 1.000 544 T CA -0.552 61.086 62.100 -0.770 0.000 0.978 544 T CB 1.532 69.982 68.868 -0.697 0.000 0.997 544 T HN 0.674 nan 8.240 nan 0.000 0.443 545 A N 2.306 124.914 122.820 -0.353 0.000 2.498 545 A HA 0.936 5.256 4.320 -0.001 0.000 0.298 545 A C -0.451 176.941 177.584 -0.319 0.000 1.075 545 A CA -0.884 50.969 52.037 -0.306 0.000 0.714 545 A CB 1.581 20.424 19.000 -0.263 0.000 1.299 545 A HN 0.955 nan 8.150 nan 0.000 0.407 546 S N -0.326 115.148 115.700 -0.377 0.000 2.549 546 S HA 0.800 5.269 4.470 -0.001 0.000 0.280 546 S C -1.231 173.132 174.600 -0.396 0.000 1.109 546 S CA -0.704 57.142 58.200 -0.590 0.000 0.905 546 S CB 1.497 64.013 63.200 -1.140 0.000 1.081 546 S HN 2.031 nan 8.310 nan 0.000 0.477 547 V N 1.643 121.351 119.914 -0.343 0.000 2.668 547 V HA 0.736 4.856 4.120 -0.001 0.000 0.304 547 V C -0.435 175.604 176.094 -0.091 0.000 1.071 547 V CA 0.051 62.274 62.300 -0.128 0.000 0.894 547 V CB 1.786 33.643 31.823 0.055 0.000 1.008 547 V HN 1.236 nan 8.190 nan 0.000 0.425 548 T N 6.748 121.246 114.554 -0.093 0.000 2.902 548 T HA 0.869 5.218 4.350 -0.001 0.000 0.283 548 T C -0.872 173.851 174.700 0.039 0.000 1.009 548 T CA -0.214 61.796 62.100 -0.149 0.000 1.051 548 T CB 0.955 69.712 68.868 -0.185 0.000 0.999 548 T HN 1.114 nan 8.240 nan 0.000 0.474 549 F N -0.365 119.566 119.950 -0.031 0.000 2.713 549 F HA 0.638 5.164 4.527 -0.000 0.000 0.311 549 F C -0.852 174.967 175.800 0.032 0.000 1.141 549 F CA -1.154 56.853 58.000 0.011 0.000 0.939 549 F CB 0.786 39.821 39.000 0.058 0.000 1.325 549 F HN 0.371 nan 8.300 nan 0.000 0.453 550 T N 2.146 116.856 114.554 0.260 0.000 2.767 550 T HA 0.653 5.002 4.350 -0.001 0.000 0.288 550 T C 0.133 175.024 174.700 0.318 0.000 0.963 550 T CA -0.134 62.059 62.100 0.154 0.000 1.019 550 T CB 1.038 69.956 68.868 0.083 0.000 0.923 550 T HN 0.926 nan 8.240 nan 0.000 0.468 551 A N 3.467 126.434 122.820 0.245 0.000 2.548 551 A HA 0.531 4.851 4.320 -0.001 0.000 0.247 551 A C 1.152 178.869 177.584 0.222 0.000 1.067 551 A CA -0.095 52.140 52.037 0.329 0.000 0.757 551 A CB -0.198 18.924 19.000 0.203 0.000 0.996 551 A HN 0.955 nan 8.150 nan 0.000 0.504 552 G N 1.877 110.799 108.800 0.202 0.000 2.468 552 G HA2 0.381 4.340 3.960 -0.001 0.000 0.264 552 G HA3 0.381 4.340 3.960 -0.001 0.000 0.264 552 G C 0.337 175.321 174.900 0.141 0.000 1.460 552 G CA -0.234 44.865 45.100 -0.002 0.000 1.060 552 G HN 1.058 nan 8.290 nan 0.000 0.543 553 K N 0.714 121.207 120.400 0.156 0.000 2.336 553 K HA 0.186 4.505 4.320 -0.001 0.000 0.262 553 K C -2.380 174.373 176.600 0.256 0.000 0.992 553 K CA -0.985 55.406 56.287 0.173 0.000 0.927 553 K CB 0.409 32.990 32.500 0.135 0.000 0.956 553 K HN 0.199 nan 8.250 nan 0.000 0.495 554 P HA 0.064 nan 4.420 nan 0.000 0.266 554 P C 0.094 177.423 177.300 0.050 0.000 1.195 554 P CA 0.406 63.573 63.100 0.112 0.000 0.768 554 P CB 0.790 32.524 31.700 0.057 0.000 0.838 555 G N 0.651 109.431 108.800 -0.033 0.000 2.362 555 G HA2 0.170 4.130 3.960 -0.001 0.000 0.288 555 G HA3 0.170 4.130 3.960 -0.001 0.000 0.288 555 G C -1.564 173.107 174.900 -0.382 0.000 1.305 555 G CA -0.722 44.247 45.100 -0.218 0.000 0.910 555 G HN 0.399 nan 8.290 nan 0.000 0.518 556 V N 0.314 119.958 119.914 -0.451 0.000 2.509 556 V HA 0.663 4.782 4.120 -0.001 0.000 0.284 556 V C -0.884 174.865 176.094 -0.575 0.000 1.047 556 V CA -0.192 61.875 62.300 -0.388 0.000 0.952 556 V CB 0.983 32.682 31.823 -0.206 0.000 0.988 556 V HN 0.606 nan 8.190 nan 0.000 0.469 557 Y N 2.003 122.292 120.300 -0.018 0.000 2.332 557 Y HA 0.435 4.984 4.550 -0.001 0.000 0.325 557 Y C -0.542 175.384 175.900 0.044 0.000 1.054 557 Y CA -0.971 57.173 58.100 0.073 0.000 1.119 557 Y CB 1.171 39.653 38.460 0.036 0.000 1.168 557 Y HN 0.623 nan 8.280 nan 0.000 0.439 558 W N 4.157 125.523 121.300 0.109 0.000 2.251 558 W HA 0.455 5.114 4.660 -0.000 0.000 0.329 558 W C -0.461 176.130 176.519 0.120 0.000 1.234 558 W CA -0.510 56.854 57.345 0.032 0.000 1.228 558 W CB 0.409 29.855 29.460 -0.023 0.000 1.135 558 W HN 0.452 nan 8.180 nan 0.000 0.576 559 Y N 1.511 121.972 120.300 0.269 0.000 2.499 559 Y HA 0.742 5.292 4.550 -0.001 0.000 0.347 559 Y C -0.970 175.087 175.900 0.263 0.000 0.987 559 Y CA -2.443 55.694 58.100 0.061 0.000 1.044 559 Y CB 0.924 39.298 38.460 -0.144 0.000 1.245 559 Y HN 0.492 nan 8.280 nan 0.000 0.461 560 Y N 0.263 120.647 120.300 0.140 0.000 2.625 560 Y HA 0.621 5.171 4.550 -0.001 0.000 0.338 560 Y C -1.156 174.911 175.900 0.278 0.000 1.123 560 Y CA -2.527 55.704 58.100 0.218 0.000 1.046 560 Y CB 0.553 39.044 38.460 0.051 0.000 1.299 560 Y HN 1.068 nan 8.280 nan 0.000 0.464 561 C N 2.971 122.472 119.300 0.335 0.000 2.514 561 C HA 0.346 4.805 4.460 -0.001 0.000 0.392 561 C C 0.840 175.997 174.990 0.279 0.000 1.294 561 C CA 0.361 59.552 59.018 0.289 0.000 1.957 561 C CB -1.212 26.647 27.740 0.198 0.000 2.541 561 C HN 1.041 nan 8.230 nan 0.000 0.569 562 N N 3.210 122.089 118.700 0.298 0.000 2.205 562 N HA 0.065 4.805 4.740 -0.001 0.000 0.201 562 N C -0.265 175.436 175.510 0.317 0.000 1.128 562 N CA -0.392 52.835 53.050 0.295 0.000 0.867 562 N CB 0.280 38.784 38.487 0.029 0.000 0.996 562 N HN 0.723 nan 8.380 nan 0.000 0.503 563 W N 1.749 123.264 121.300 0.359 0.000 2.299 563 W HA 0.383 5.042 4.660 -0.001 0.000 0.319 563 W C -0.693 175.885 176.519 0.098 0.000 1.008 563 W CA -1.251 56.226 57.345 0.221 0.000 1.384 563 W CB 0.397 29.963 29.460 0.178 0.000 1.220 563 W HN -0.101 nan 8.180 nan 0.000 0.402 564 F N 4.149 123.964 119.950 -0.225 0.000 2.580 564 F HA -0.159 4.368 4.527 -0.000 0.000 0.398 564 F C 1.413 177.129 175.800 -0.141 0.000 1.023 564 F CA 1.248 58.815 58.000 -0.721 0.000 1.188 564 F CB 0.568 39.300 39.000 -0.446 0.000 1.005 564 F HN 0.387 nan 8.300 nan 0.000 0.546 565 C N 3.310 122.656 119.300 0.077 0.000 4.027 565 C HA 0.400 4.860 4.460 -0.001 0.000 0.351 565 C C -0.123 175.032 174.990 0.275 0.000 1.634 565 C CA -0.299 58.831 59.018 0.186 0.000 1.897 565 C CB -0.855 26.955 27.740 0.117 0.000 2.949 565 C HN 0.831 nan 8.230 nan 0.000 0.684 566 H N -0.597 118.568 119.070 0.158 0.000 3.003 566 H HA 0.479 5.035 4.556 -0.000 0.000 0.327 566 H C 0.556 175.990 175.328 0.177 0.000 1.353 566 H CA 0.443 56.584 56.048 0.154 0.000 1.142 566 H CB 1.821 31.660 29.762 0.130 0.000 1.864 566 H HN -0.023 nan 8.280 nan 0.000 0.529 567 A N 2.240 125.076 122.820 0.027 0.000 2.125 567 A HA -0.002 4.318 4.320 -0.001 0.000 0.219 567 A C 1.598 179.379 177.584 0.328 0.000 1.156 567 A CA 1.141 53.295 52.037 0.196 0.000 0.671 567 A CB -0.311 18.706 19.000 0.028 0.000 0.794 567 A HN 0.452 nan 8.150 nan 0.000 0.459 568 L N -1.254 120.319 121.223 0.583 0.000 2.872 568 L HA 0.137 4.477 4.340 -0.001 0.000 0.245 568 L C 1.646 178.564 176.870 0.080 0.000 1.211 568 L CA -0.096 54.883 54.840 0.233 0.000 1.013 568 L CB -0.350 41.772 42.059 0.106 0.000 1.326 568 L HN 0.544 nan 8.230 nan 0.000 0.525 569 H N 1.302 120.327 119.070 -0.076 0.000 2.265 569 H HA -0.268 4.288 4.556 -0.001 0.000 0.293 569 H C 2.210 177.423 175.328 -0.192 0.000 1.089 569 H CA 2.303 58.194 56.048 -0.262 0.000 1.244 569 H CB 0.227 29.470 29.762 -0.865 0.000 1.355 569 H HN 0.103 nan 8.280 nan 0.000 0.485 570 M N 0.208 119.661 119.600 -0.246 0.000 2.192 570 M HA -0.167 4.312 4.480 -0.001 0.000 0.259 570 M C 1.662 177.859 176.300 -0.172 0.000 1.071 570 M CA 1.619 56.780 55.300 -0.231 0.000 1.082 570 M CB -0.892 31.652 32.600 -0.092 0.000 1.373 570 M HN 0.393 nan 8.290 nan 0.000 0.408 571 E N -0.476 119.661 120.200 -0.105 0.000 2.478 571 E HA 0.122 4.472 4.350 -0.001 0.000 0.194 571 E C 0.746 177.319 176.600 -0.045 0.000 1.045 571 E CA -0.033 56.337 56.400 -0.051 0.000 0.868 571 E CB -0.192 29.494 29.700 -0.023 0.000 0.885 571 E HN 0.394 nan 8.360 nan 0.000 0.505 572 M N 2.008 121.544 119.600 -0.107 0.000 2.821 572 M HA 0.117 4.597 4.480 -0.001 0.000 0.305 572 M C -0.637 175.692 176.300 0.047 0.000 1.466 572 M CA -0.202 55.024 55.300 -0.123 0.000 1.526 572 M CB -0.297 32.162 32.600 -0.235 0.000 1.321 572 M HN -0.047 nan 8.290 nan 0.000 0.492 573 V N 1.035 121.040 119.914 0.151 0.000 3.076 573 V HA 1.124 5.243 4.120 -0.001 0.000 0.311 573 V C -0.328 175.757 176.094 -0.016 0.000 1.346 573 V CA -0.291 62.133 62.300 0.206 0.000 1.056 573 V CB 1.456 33.430 31.823 0.253 0.000 1.093 573 V HN 0.647 nan 8.190 nan 0.000 0.468 574 G N -0.157 108.283 108.800 -0.600 0.000 2.495 574 G HA2 0.706 4.666 3.960 -0.001 0.000 0.294 574 G HA3 0.706 4.666 3.960 -0.001 0.000 0.294 574 G C -1.974 172.209 174.900 -1.194 0.000 1.397 574 G CA -1.120 43.327 45.100 -1.089 0.000 0.790 574 G HN 0.831 nan 8.290 nan 0.000 0.486 575 R N -0.227 119.888 120.500 -0.642 0.000 2.574 575 R HA 0.532 4.871 4.340 -0.001 0.000 0.288 575 R C -0.508 175.659 176.300 -0.222 0.000 1.004 575 R CA -0.699 55.080 56.100 -0.536 0.000 0.895 575 R CB 2.488 32.285 30.300 -0.839 0.000 1.191 575 R HN 0.575 nan 8.270 nan 0.000 0.444 576 M N 5.022 124.482 119.600 -0.233 0.000 2.129 576 M HA 0.392 4.872 4.480 -0.001 0.000 0.348 576 M C -1.436 174.659 176.300 -0.341 0.000 1.116 576 M CA -0.519 54.418 55.300 -0.605 0.000 1.022 576 M CB 0.724 33.016 32.600 -0.514 0.000 1.599 576 M HN 0.513 nan 8.290 nan 0.000 0.449 577 L N 6.557 127.563 121.223 -0.361 0.000 2.262 577 L HA 0.465 4.805 4.340 -0.001 0.000 0.288 577 L C -0.894 175.920 176.870 -0.095 0.000 1.035 577 L CA -0.927 53.801 54.840 -0.186 0.000 0.820 577 L CB 1.127 43.090 42.059 -0.160 0.000 1.204 577 L HN 0.457 nan 8.230 nan 0.000 0.424 578 V N 3.553 123.467 119.914 -0.000 0.000 2.350 578 V HA 0.254 4.373 4.120 -0.001 0.000 0.276 578 V C 0.280 176.401 176.094 0.045 0.000 1.028 578 V CA -0.608 61.737 62.300 0.076 0.000 0.860 578 V CB 1.279 33.243 31.823 0.236 0.000 0.990 578 V HN 0.806 nan 8.190 nan 0.000 0.453 579 E N 4.133 124.353 120.200 0.033 0.000 2.235 579 E HA 0.787 5.136 4.350 -0.001 0.000 0.265 579 E C -0.190 176.429 176.600 0.033 0.000 0.940 579 E CA -0.991 55.422 56.400 0.021 0.000 0.819 579 E CB 2.073 31.778 29.700 0.007 0.000 1.206 579 E HN 0.627 nan 8.360 nan 0.000 0.409 580 A N 1.484 124.319 122.820 0.025 0.000 2.565 580 A HA 0.356 4.676 4.320 -0.001 0.000 0.237 580 A C 0.525 178.124 177.584 0.024 0.000 1.053 580 A CA 0.473 52.526 52.037 0.027 0.000 0.755 580 A CB -0.151 18.860 19.000 0.019 0.000 0.980 580 A HN 0.772 nan 8.150 nan 0.000 0.506 581 A N 0.000 122.836 122.820 0.027 0.000 2.254 581 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 581 A CA 0.000 52.050 52.037 0.022 0.000 0.836 581 A CB 0.000 19.014 19.000 0.023 0.000 0.831 581 A HN 0.000 nan 8.150 nan 0.000 0.486