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 3iuq_1_A DATA FIRST_RESID 7 DATA SEQUENCE LHYPVTRQGE QVDHYFGQAV ADPYRWLEDD RSPETEAWVK AQNAVTQDYL DATA SEQUENCE AQIPYRAAIK EKLAASWNYA KEGAPFREGR YHYFFKNDGL QNQNVLWRQQ DATA SEQUENCE EGKPAEVFLD PNTLSPDGTT ALDQLSFSRD GRILAYSLSL AGSDWREIHL DATA SEQUENCE MDVESKQPLE TPLKDVKFSG ISWLGNEGFF YSSYDKPXXX XXXXXTDQHK DATA SEQUENCE VYFHRLGTAQ EDDRLVFGAI PAQHHRYVGA TVTEDDRFLL ISAANSTSGN DATA SEQUENCE RLYVKDLSQE NAPLLTVQGD LDADVSLVDN KGSTLYLLTN RDAPNRRLVT DATA SEQUENCE VDAANPGPAH WRDLIPERQQ VLTVHSGSGY LFAEYMVDAT ARVEQFDYEG DATA SEQUENCE KRVREVALPG LGSVSGFNGK HDDPALYFGF ENYAQPPTLY RFEPKSGAIS DATA SEQUENCE LYRASAAPFK PEDYVSEQRF YQSKDGTRVP LIISYRKGLK LDGSNPTILY DATA SEQUENCE GYGGFDVSLT PSFSVSVANW LDLGGVYAVA NLRGGGEYGQ AWHLAGTQQN DATA SEQUENCE KQNVFDDFIA AAEYLKAEGY TRTDRLAIRG GSNGGLLVGA VMTQRPDLMR DATA SEQUENCE VALPAVGVLD MLRYHTFTAG TGWAYDYGTS ADSEAMFDYL KGYSPLHNVR DATA SEQUENCE PGVSYPSTMV TTADHNDRVV PAHSFKFAAT LQADNAGPHP QLIRIETXXX DATA SEQUENCE XXXXTPVAKL IEQSADIYAF TLYEMGYREL PR 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.490 176.870 -0.634 0.000 1.165 7 L CA 0.000 54.575 54.840 -0.442 0.000 0.813 7 L CB 0.000 41.870 42.059 -0.314 0.000 0.961 8 H N 4.275 123.217 119.070 -0.213 0.000 2.541 8 H HA 0.342 4.898 4.556 -0.001 0.000 0.316 8 H C -0.919 174.321 175.328 -0.145 0.000 1.043 8 H CA -0.340 55.605 56.048 -0.171 0.000 1.232 8 H CB 0.934 30.660 29.762 -0.060 0.000 1.406 8 H HN 0.314 nan 8.280 nan 0.000 0.469 9 Y N 2.585 122.947 120.300 0.103 0.000 2.301 9 Y HA 0.184 4.734 4.550 -0.001 0.000 0.328 9 Y C -1.532 174.387 175.900 0.031 0.000 1.242 9 Y CA -2.300 55.818 58.100 0.030 0.000 1.323 9 Y CB -0.121 38.350 38.460 0.019 0.000 1.266 9 Y HN 0.459 nan 8.280 nan 0.000 0.527 10 P HA 0.055 nan 4.420 nan 0.000 0.268 10 P C -0.884 176.512 177.300 0.160 0.000 1.205 10 P CA -0.232 62.910 63.100 0.070 0.000 0.771 10 P CB 0.455 32.092 31.700 -0.105 0.000 0.858 11 V N 3.509 123.520 119.914 0.163 0.000 2.585 11 V HA 0.065 4.184 4.120 -0.001 0.000 0.296 11 V C 0.633 176.904 176.094 0.296 0.000 1.035 11 V CA 0.755 63.173 62.300 0.197 0.000 1.084 11 V CB 0.210 32.118 31.823 0.142 0.000 0.953 11 V HN 0.562 nan 8.190 nan 0.000 0.483 12 T N 6.289 121.041 114.554 0.331 0.000 2.809 12 T HA 0.324 4.673 4.350 -0.001 0.000 0.296 12 T C 0.121 175.092 174.700 0.453 0.000 1.015 12 T CA -0.492 61.877 62.100 0.448 0.000 0.954 12 T CB 0.509 69.581 68.868 0.341 0.000 0.950 12 T HN 0.709 nan 8.240 nan 0.000 0.450 13 R N 2.963 123.700 120.500 0.395 0.000 2.640 13 R HA 0.066 4.405 4.340 -0.001 0.000 0.270 13 R C -0.312 176.237 176.300 0.415 0.000 1.024 13 R CA 0.303 56.539 56.100 0.226 0.000 1.085 13 R CB 0.414 30.625 30.300 -0.148 0.000 0.963 13 R HN 0.587 nan 8.270 nan 0.000 0.426 14 Q N 2.329 122.253 119.800 0.207 0.000 2.325 14 Q HA 0.295 4.635 4.340 -0.001 0.000 0.262 14 Q C 0.031 176.059 176.000 0.048 0.000 0.968 14 Q CA -0.620 55.238 55.803 0.093 0.000 0.877 14 Q CB 2.178 30.912 28.738 -0.007 0.000 1.253 14 Q HN 0.857 nan 8.270 nan 0.000 0.448 15 G N 1.282 110.135 108.800 0.088 0.000 2.563 15 G HA2 0.099 4.059 3.960 -0.001 0.000 0.283 15 G HA3 0.099 4.059 3.960 -0.001 0.000 0.283 15 G C 0.332 175.242 174.900 0.016 0.000 1.309 15 G CA -0.360 44.781 45.100 0.068 0.000 1.022 15 G HN 0.613 nan 8.290 nan 0.000 0.501 16 E N -0.685 119.528 120.200 0.020 0.000 2.501 16 E HA 0.050 4.399 4.350 -0.001 0.000 0.201 16 E C 0.598 177.207 176.600 0.015 0.000 1.016 16 E CA -0.327 56.079 56.400 0.010 0.000 0.920 16 E CB 0.372 30.078 29.700 0.009 0.000 1.023 16 E HN 0.429 nan 8.360 nan 0.000 0.474 17 Q N 1.388 121.204 119.800 0.026 0.000 2.286 17 Q HA 0.085 4.425 4.340 -0.001 0.000 0.290 17 Q C -0.865 175.139 176.000 0.007 0.000 1.049 17 Q CA 0.264 56.083 55.803 0.026 0.000 0.923 17 Q CB 0.626 29.392 28.738 0.045 0.000 1.183 17 Q HN -0.113 nan 8.270 nan 0.000 0.383 18 V N 5.374 125.284 119.914 -0.006 0.000 2.524 18 V HA 0.328 4.448 4.120 -0.001 0.000 0.297 18 V C -0.933 175.079 176.094 -0.138 0.000 1.035 18 V CA -0.939 61.319 62.300 -0.070 0.000 0.867 18 V CB 2.044 33.820 31.823 -0.080 0.000 1.004 18 V HN 0.834 nan 8.190 nan 0.000 0.426 19 D N 2.332 122.623 120.400 -0.181 0.000 2.229 19 D HA 0.546 5.185 4.640 -0.001 0.000 0.249 19 D C -0.786 175.189 176.300 -0.542 0.000 1.027 19 D CA -0.293 53.544 54.000 -0.272 0.000 0.923 19 D CB 1.786 42.452 40.800 -0.222 0.000 1.174 19 D HN 0.589 nan 8.370 nan 0.000 0.443 20 H N 0.020 118.798 119.070 -0.486 0.000 2.529 20 H HA 0.382 4.938 4.556 -0.001 0.000 0.348 20 H C -1.007 173.886 175.328 -0.725 0.000 1.079 20 H CA -0.473 55.328 56.048 -0.412 0.000 1.198 20 H CB 0.945 30.554 29.762 -0.254 0.000 1.521 20 H HN 0.248 nan 8.280 nan 0.000 0.514 21 Y N 2.047 122.174 120.300 -0.290 0.000 2.327 21 Y HA 0.263 4.812 4.550 -0.001 0.000 0.325 21 Y C -0.536 175.101 175.900 -0.437 0.000 0.999 21 Y CA -1.336 56.402 58.100 -0.602 0.000 1.195 21 Y CB 0.552 38.279 38.460 -1.222 0.000 1.132 21 Y HN 0.647 nan 8.280 nan 0.000 0.455 22 F N 1.767 121.601 119.950 -0.194 0.000 2.969 22 F HA -0.214 4.312 4.527 -0.001 0.000 0.273 22 F C 1.442 177.217 175.800 -0.043 0.000 0.986 22 F CA 1.230 59.170 58.000 -0.100 0.000 0.926 22 F CB -1.402 37.554 39.000 -0.073 0.000 0.887 22 F HN 0.928 nan 8.300 nan 0.000 0.816 23 G N -0.543 108.281 108.800 0.040 0.000 2.220 23 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.269 23 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.269 23 G C 0.233 175.205 174.900 0.121 0.000 0.977 23 G CA 0.449 45.593 45.100 0.072 0.000 0.634 23 G HN 0.683 nan 8.290 nan 0.000 0.539 24 Q N 0.566 120.440 119.800 0.123 0.000 2.256 24 Q HA 0.676 5.016 4.340 -0.001 0.000 0.254 24 Q C 0.309 176.370 176.000 0.102 0.000 0.916 24 Q CA 0.045 55.941 55.803 0.155 0.000 0.932 24 Q CB 1.063 29.961 28.738 0.266 0.000 1.207 24 Q HN 0.733 nan 8.270 nan 0.000 0.426 25 A N 3.134 125.987 122.820 0.055 0.000 2.310 25 A HA 0.626 4.946 4.320 -0.001 0.000 0.299 25 A C -1.011 176.561 177.584 -0.021 0.000 1.147 25 A CA -0.462 51.486 52.037 -0.149 0.000 0.818 25 A CB 1.072 19.983 19.000 -0.147 0.000 1.096 25 A HN 0.537 nan 8.150 nan 0.000 0.495 26 V N 1.743 121.622 119.914 -0.059 0.000 2.567 26 V HA 0.543 4.662 4.120 -0.001 0.000 0.298 26 V C 0.386 176.509 176.094 0.048 0.000 1.047 26 V CA -0.415 61.938 62.300 0.087 0.000 0.880 26 V CB 1.275 33.251 31.823 0.255 0.000 1.009 26 V HN 1.272 nan 8.190 nan 0.000 0.429 27 A N 2.897 125.749 122.820 0.054 0.000 2.388 27 A HA 0.633 4.952 4.320 -0.001 0.000 0.257 27 A C -0.072 177.553 177.584 0.068 0.000 1.095 27 A CA 0.047 52.102 52.037 0.031 0.000 0.791 27 A CB 0.342 19.348 19.000 0.010 0.000 1.029 27 A HN 0.885 nan 8.150 nan 0.000 0.489 28 D N 2.058 122.477 120.400 0.033 0.000 2.552 28 D HA 0.306 4.946 4.640 -0.001 0.000 0.285 28 D C -1.656 174.613 176.300 -0.051 0.000 1.206 28 D CA -1.121 52.898 54.000 0.032 0.000 0.826 28 D CB 0.875 41.736 40.800 0.101 0.000 1.179 28 D HN 0.232 nan 8.370 nan 0.000 0.508 29 P HA -0.157 nan 4.420 nan 0.000 0.221 29 P C 0.276 177.395 177.300 -0.301 0.000 1.145 29 P CA 0.811 63.731 63.100 -0.301 0.000 0.795 29 P CB 0.060 31.456 31.700 -0.507 0.000 0.775 30 Y N -0.755 119.537 120.300 -0.012 0.000 2.625 30 Y HA 0.285 4.835 4.550 -0.001 0.000 0.285 30 Y C 2.255 177.937 175.900 -0.363 0.000 1.168 30 Y CA -0.794 57.147 58.100 -0.264 0.000 1.250 30 Y CB -0.676 37.589 38.460 -0.325 0.000 1.130 30 Y HN -0.203 nan 8.280 nan 0.000 0.526 31 R N 1.515 122.004 120.500 -0.018 0.000 2.117 31 R HA -0.180 4.159 4.340 -0.001 0.000 0.243 31 R C 1.969 178.270 176.300 0.001 0.000 1.143 31 R CA 2.261 58.375 56.100 0.023 0.000 0.968 31 R CB -0.843 29.512 30.300 0.091 0.000 0.863 31 R HN 0.614 nan 8.270 nan 0.000 0.444 32 W N -0.036 121.280 121.300 0.026 0.000 2.421 32 W HA -0.101 4.559 4.660 -0.001 0.000 0.270 32 W C 0.941 177.456 176.519 -0.005 0.000 1.233 32 W CA 0.377 57.729 57.345 0.012 0.000 1.226 32 W CB -0.837 28.623 29.460 0.000 0.000 1.121 32 W HN 0.096 nan 8.180 nan 0.000 0.579 33 L N 0.956 121.674 121.223 -0.842 0.000 2.478 33 L HA -0.048 4.291 4.340 -0.001 0.000 0.223 33 L C 2.453 179.185 176.870 -0.230 0.000 1.140 33 L CA 0.954 55.335 54.840 -0.765 0.000 0.842 33 L CB -0.550 40.851 42.059 -1.098 0.000 0.953 33 L HN -0.023 nan 8.230 nan 0.000 0.452 34 E N -0.263 119.841 120.200 -0.160 0.000 2.265 34 E HA -0.189 4.160 4.350 -0.001 0.000 0.196 34 E C 0.590 177.151 176.600 -0.065 0.000 0.996 34 E CA 0.469 56.797 56.400 -0.119 0.000 0.832 34 E CB 0.118 29.823 29.700 0.007 0.000 0.756 34 E HN 0.251 nan 8.360 nan 0.000 0.491 35 D N 1.329 121.744 120.400 0.025 0.000 2.468 35 D HA -0.050 4.589 4.640 -0.001 0.000 0.218 35 D C 0.145 176.526 176.300 0.135 0.000 1.155 35 D CA -0.115 53.935 54.000 0.082 0.000 0.924 35 D CB 0.270 41.143 40.800 0.122 0.000 1.029 35 D HN 0.128 nan 8.370 nan 0.000 0.515 36 D N 2.247 122.736 120.400 0.147 0.000 2.371 36 D HA -0.110 4.529 4.640 -0.001 0.000 0.234 36 D C 0.792 177.296 176.300 0.340 0.000 1.049 36 D CA 0.077 54.245 54.000 0.280 0.000 0.907 36 D CB 0.245 41.178 40.800 0.221 0.000 0.891 36 D HN 0.380 nan 8.370 nan 0.000 0.531 37 R N 0.337 120.987 120.500 0.249 0.000 2.476 37 R HA 0.093 4.433 4.340 -0.001 0.000 0.276 37 R C 0.548 176.948 176.300 0.166 0.000 0.941 37 R CA -0.144 56.090 56.100 0.224 0.000 1.088 37 R CB 0.866 31.238 30.300 0.120 0.000 1.216 37 R HN 0.108 nan 8.270 nan 0.000 0.533 38 S N 0.691 116.493 115.700 0.170 0.000 2.576 38 S HA 0.188 4.658 4.470 -0.001 0.000 0.276 38 S C -1.878 172.815 174.600 0.155 0.000 1.339 38 S CA -1.154 57.136 58.200 0.151 0.000 1.039 38 S CB 1.430 64.735 63.200 0.175 0.000 0.902 38 S HN -0.212 nan 8.310 nan 0.000 0.516 39 P HA -0.145 nan 4.420 nan 0.000 0.216 39 P C 1.411 178.790 177.300 0.132 0.000 1.150 39 P CA 1.277 64.441 63.100 0.106 0.000 0.843 39 P CB 0.094 31.836 31.700 0.070 0.000 0.787 40 E N -1.124 119.164 120.200 0.147 0.000 2.051 40 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 40 E C 1.716 178.534 176.600 0.365 0.000 0.991 40 E CA 1.581 58.093 56.400 0.187 0.000 0.799 40 E CB -0.332 29.421 29.700 0.088 0.000 0.748 40 E HN 0.154 nan 8.360 nan 0.000 0.449 41 T N 0.885 115.666 114.554 0.380 0.000 2.746 41 T HA -0.128 4.221 4.350 -0.001 0.000 0.267 41 T C 1.469 176.307 174.700 0.230 0.000 1.039 41 T CA 1.291 63.566 62.100 0.291 0.000 1.142 41 T CB -0.165 68.817 68.868 0.189 0.000 0.866 41 T HN 0.260 nan 8.240 nan 0.000 0.444 42 E N 0.960 121.281 120.200 0.201 0.000 2.204 42 E HA 0.009 4.359 4.350 -0.001 0.000 0.194 42 E C 2.435 179.112 176.600 0.129 0.000 0.989 42 E CA 0.779 57.271 56.400 0.153 0.000 0.824 42 E CB -0.123 29.668 29.700 0.152 0.000 0.756 42 E HN 0.481 nan 8.360 nan 0.000 0.477 43 A N 0.745 123.661 122.820 0.160 0.000 1.898 43 A HA -0.137 4.182 4.320 -0.001 0.000 0.214 43 A C 1.827 179.498 177.584 0.146 0.000 1.183 43 A CA 0.729 52.842 52.037 0.127 0.000 0.622 43 A CB -0.817 18.258 19.000 0.125 0.000 0.824 43 A HN 0.479 nan 8.150 nan 0.000 0.444 44 W N 0.674 121.987 121.300 0.022 0.000 2.355 44 W HA -0.175 4.485 4.660 -0.001 0.000 0.309 44 W C 1.897 178.339 176.519 -0.128 0.000 1.206 44 W CA 2.212 59.549 57.345 -0.012 0.000 1.284 44 W CB -0.294 29.193 29.460 0.046 0.000 1.145 44 W HN 0.094 nan 8.180 nan 0.000 0.502 45 V N 1.280 121.223 119.914 0.049 0.000 2.287 45 V HA -0.366 3.753 4.120 -0.001 0.000 0.248 45 V C 2.439 178.403 176.094 -0.217 0.000 1.053 45 V CA 2.501 64.683 62.300 -0.196 0.000 1.027 45 V CB -1.048 30.727 31.823 -0.081 0.000 0.646 45 V HN 0.187 nan 8.190 nan 0.000 0.447 46 K N -0.299 120.042 120.400 -0.100 0.000 2.032 46 K HA -0.191 4.128 4.320 -0.001 0.000 0.209 46 K C 2.222 178.744 176.600 -0.129 0.000 1.048 46 K CA 1.608 57.846 56.287 -0.082 0.000 0.927 46 K CB -0.402 32.083 32.500 -0.024 0.000 0.712 46 K HN 0.457 nan 8.250 nan 0.000 0.441 47 A N 0.878 123.604 122.820 -0.158 0.000 1.877 47 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 47 A C 2.088 179.516 177.584 -0.259 0.000 1.186 47 A CA 1.405 53.338 52.037 -0.173 0.000 0.620 47 A CB -0.578 18.329 19.000 -0.154 0.000 0.822 47 A HN 0.329 nan 8.150 nan 0.000 0.443 48 Q N -0.008 119.507 119.800 -0.475 0.000 2.077 48 Q HA -0.219 4.120 4.340 -0.001 0.000 0.206 48 Q C 1.848 177.673 176.000 -0.293 0.000 0.989 48 Q CA 1.992 57.486 55.803 -0.516 0.000 0.853 48 Q CB -0.724 27.457 28.738 -0.929 0.000 0.907 48 Q HN 0.830 nan 8.270 nan 0.000 0.418 49 N N 0.013 118.566 118.700 -0.246 0.000 2.272 49 N HA -0.141 4.598 4.740 -0.001 0.000 0.185 49 N C 1.673 177.123 175.510 -0.099 0.000 1.014 49 N CA 0.688 53.650 53.050 -0.146 0.000 0.870 49 N CB 0.010 38.431 38.487 -0.110 0.000 0.975 49 N HN 0.238 nan 8.380 nan 0.000 0.433 50 A N 0.583 123.343 122.820 -0.100 0.000 1.855 50 A HA -0.080 4.239 4.320 -0.001 0.000 0.215 50 A C 2.362 179.923 177.584 -0.038 0.000 1.191 50 A CA 1.065 53.067 52.037 -0.059 0.000 0.613 50 A CB -0.751 18.215 19.000 -0.056 0.000 0.829 50 A HN 0.087 nan 8.150 nan 0.000 0.442 51 V N -0.118 119.768 119.914 -0.048 0.000 2.332 51 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 51 V C 2.731 178.840 176.094 0.025 0.000 1.055 51 V CA 2.503 64.800 62.300 -0.005 0.000 1.038 51 V CB -1.329 30.493 31.823 -0.001 0.000 0.651 51 V HN 0.606 nan 8.190 nan 0.000 0.450 52 T N -0.990 113.551 114.554 -0.020 0.000 2.708 52 T HA -0.198 4.152 4.350 -0.001 0.000 0.266 52 T C 1.999 176.720 174.700 0.034 0.000 1.037 52 T CA 1.281 63.375 62.100 -0.010 0.000 1.146 52 T CB -0.260 68.556 68.868 -0.087 0.000 0.865 52 T HN 0.357 nan 8.240 nan 0.000 0.435 53 Q N 0.843 120.643 119.800 0.000 0.000 2.167 53 Q HA -0.085 4.254 4.340 -0.001 0.000 0.202 53 Q C 2.056 178.063 176.000 0.012 0.000 0.970 53 Q CA 1.264 57.069 55.803 0.003 0.000 0.855 53 Q CB -0.616 28.113 28.738 -0.015 0.000 0.911 53 Q HN 0.574 nan 8.270 nan 0.000 0.438 54 D N -0.742 119.671 120.400 0.022 0.000 2.178 54 D HA -0.178 4.461 4.640 -0.001 0.000 0.202 54 D C 1.708 178.017 176.300 0.015 0.000 0.974 54 D CA 0.711 54.718 54.000 0.011 0.000 0.841 54 D CB -0.080 40.731 40.800 0.018 0.000 0.953 54 D HN 0.247 nan 8.370 nan 0.000 0.478 55 Y N 0.537 120.816 120.300 -0.035 0.000 2.220 55 Y HA 0.020 4.570 4.550 -0.001 0.000 0.291 55 Y C 1.912 177.776 175.900 -0.060 0.000 1.129 55 Y CA 1.292 59.379 58.100 -0.021 0.000 1.161 55 Y CB -0.097 38.387 38.460 0.041 0.000 0.997 55 Y HN -0.019 nan 8.280 nan 0.000 0.522 56 L N -0.357 120.923 121.223 0.095 0.000 2.275 56 L HA -0.158 4.182 4.340 -0.001 0.000 0.215 56 L C 2.601 179.386 176.870 -0.141 0.000 1.119 56 L CA 0.804 55.645 54.840 0.002 0.000 0.790 56 L CB -0.812 41.283 42.059 0.060 0.000 0.919 56 L HN 0.304 nan 8.230 nan 0.000 0.443 57 A N -0.285 122.456 122.820 -0.131 0.000 2.070 57 A HA -0.209 4.110 4.320 -0.001 0.000 0.220 57 A C 2.183 179.638 177.584 -0.214 0.000 1.159 57 A CA 1.192 53.147 52.037 -0.137 0.000 0.656 57 A CB -0.310 18.634 19.000 -0.093 0.000 0.800 57 A HN 0.500 nan 8.150 nan 0.000 0.453 58 Q N -0.574 119.024 119.800 -0.337 0.000 2.369 58 Q HA 0.096 4.436 4.340 -0.001 0.000 0.206 58 Q C -0.175 175.512 176.000 -0.522 0.000 0.963 58 Q CA 0.265 55.819 55.803 -0.414 0.000 0.894 58 Q CB -0.107 28.295 28.738 -0.560 0.000 0.965 58 Q HN 0.681 nan 8.270 nan 0.000 0.475 59 I N 2.257 122.475 120.570 -0.587 0.000 2.294 59 I HA 0.052 4.221 4.170 -0.001 0.000 0.295 59 I C -1.758 174.073 176.117 -0.476 0.000 1.098 59 I CA -1.701 59.210 61.300 -0.649 0.000 1.277 59 I CB 0.784 38.430 38.000 -0.591 0.000 1.434 59 I HN -0.108 nan 8.210 nan 0.000 0.498 60 P HA -0.208 nan 4.420 nan 0.000 0.216 60 P C 0.961 178.189 177.300 -0.119 0.000 1.153 60 P CA 1.680 64.664 63.100 -0.194 0.000 0.858 60 P CB -0.041 31.628 31.700 -0.053 0.000 0.789 61 Y N -1.912 118.434 120.300 0.075 0.000 2.490 61 Y HA 0.356 4.905 4.550 -0.001 0.000 0.281 61 Y C 2.227 178.181 175.900 0.090 0.000 1.174 61 Y CA -0.656 57.492 58.100 0.081 0.000 1.295 61 Y CB -1.204 37.312 38.460 0.092 0.000 1.062 61 Y HN -0.225 nan 8.280 nan 0.000 0.522 62 R N 1.638 122.148 120.500 0.018 0.000 2.096 62 R HA -0.237 4.103 4.340 -0.001 0.000 0.240 62 R C 2.359 178.737 176.300 0.131 0.000 1.139 62 R CA 1.936 58.101 56.100 0.108 0.000 0.952 62 R CB -0.604 29.703 30.300 0.010 0.000 0.854 62 R HN 0.445 nan 8.270 nan 0.000 0.436 63 A N 0.599 123.469 122.820 0.083 0.000 1.917 63 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 63 A C 2.422 180.073 177.584 0.113 0.000 1.182 63 A CA 1.996 54.083 52.037 0.083 0.000 0.633 63 A CB -1.016 18.017 19.000 0.055 0.000 0.819 63 A HN 0.611 nan 8.150 nan 0.000 0.448 64 A N -0.300 122.603 122.820 0.138 0.000 1.933 64 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 64 A C 2.130 179.809 177.584 0.159 0.000 1.175 64 A CA 1.497 53.618 52.037 0.140 0.000 0.628 64 A CB -0.572 18.518 19.000 0.150 0.000 0.814 64 A HN 0.523 nan 8.150 nan 0.000 0.444 65 I N -0.751 119.941 120.570 0.204 0.000 2.202 65 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 65 I C 2.560 178.807 176.117 0.217 0.000 1.091 65 I CA 1.810 63.249 61.300 0.231 0.000 1.368 65 I CB -0.296 37.890 38.000 0.310 0.000 1.058 65 I HN 0.357 nan 8.210 nan 0.000 0.410 66 K N 1.203 121.713 120.400 0.185 0.000 2.032 66 K HA -0.234 4.085 4.320 -0.001 0.000 0.209 66 K C 1.971 178.662 176.600 0.151 0.000 1.048 66 K CA 1.806 58.188 56.287 0.159 0.000 0.927 66 K CB -0.017 32.552 32.500 0.114 0.000 0.712 66 K HN 0.320 nan 8.250 nan 0.000 0.441 67 E N 0.283 120.561 120.200 0.130 0.000 2.110 67 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 67 E C 2.018 178.699 176.600 0.135 0.000 0.988 67 E CA 1.102 57.572 56.400 0.116 0.000 0.804 67 E CB 0.023 29.779 29.700 0.094 0.000 0.745 67 E HN 0.247 nan 8.360 nan 0.000 0.458 68 K N 1.026 121.516 120.400 0.150 0.000 2.057 68 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 68 K C 2.144 178.870 176.600 0.211 0.000 1.050 68 K CA 0.816 57.197 56.287 0.157 0.000 0.935 68 K CB -0.024 32.569 32.500 0.155 0.000 0.715 68 K HN 0.088 nan 8.250 nan 0.000 0.439 69 L N 0.640 122.013 121.223 0.249 0.000 1.994 69 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 69 L C 2.678 179.772 176.870 0.372 0.000 1.071 69 L CA 1.398 56.435 54.840 0.329 0.000 0.745 69 L CB -0.609 41.650 42.059 0.335 0.000 0.892 69 L HN 0.289 nan 8.230 nan 0.000 0.431 70 A N 0.044 123.026 122.820 0.270 0.000 1.859 70 A HA -0.275 4.045 4.320 -0.001 0.000 0.217 70 A C 2.524 180.258 177.584 0.250 0.000 1.198 70 A CA 2.213 54.387 52.037 0.227 0.000 0.629 70 A CB -1.052 18.025 19.000 0.129 0.000 0.830 70 A HN 0.434 nan 8.150 nan 0.000 0.446 71 A N 0.263 123.198 122.820 0.192 0.000 1.873 71 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 71 A C 2.516 180.219 177.584 0.198 0.000 1.193 71 A CA 3.012 55.146 52.037 0.161 0.000 0.629 71 A CB -1.277 17.788 19.000 0.107 0.000 0.826 71 A HN 1.202 nan 8.150 nan 0.000 0.447 72 S N -2.548 113.277 115.700 0.207 0.000 2.442 72 S HA -0.173 4.297 4.470 -0.001 0.000 0.236 72 S C 1.723 176.567 174.600 0.407 0.000 1.007 72 S CA 1.072 59.376 58.200 0.173 0.000 0.965 72 S CB -0.483 62.820 63.200 0.171 0.000 0.773 72 S HN 0.710 nan 8.310 nan 0.000 0.504 73 W N 3.021 124.493 121.300 0.287 0.000 2.523 73 W HA 0.283 4.942 4.660 -0.001 0.000 0.278 73 W C 0.696 177.329 176.519 0.189 0.000 1.236 73 W CA -0.011 57.511 57.345 0.295 0.000 1.306 73 W CB -0.862 28.695 29.460 0.162 0.000 1.101 73 W HN 0.360 nan 8.180 nan 0.000 0.577 74 N N 0.937 119.898 118.700 0.436 0.000 2.434 74 N HA 0.003 4.742 4.740 -0.001 0.000 0.273 74 N C -1.438 174.251 175.510 0.298 0.000 1.210 74 N CA 0.023 53.225 53.050 0.253 0.000 0.992 74 N CB -0.541 38.045 38.487 0.166 0.000 1.355 74 N HN -0.055 nan 8.380 nan 0.000 0.495 75 Y N 0.752 121.147 120.300 0.158 0.000 2.521 75 Y HA 0.531 5.080 4.550 -0.001 0.000 0.332 75 Y C -1.083 174.873 175.900 0.094 0.000 1.121 75 Y CA -1.563 56.594 58.100 0.095 0.000 1.037 75 Y CB 0.247 38.750 38.460 0.071 0.000 1.330 75 Y HN 0.244 nan 8.280 nan 0.000 0.452 76 A N 4.114 127.033 122.820 0.165 0.000 2.511 76 A HA 0.500 4.820 4.320 -0.001 0.000 0.242 76 A C -0.400 177.241 177.584 0.094 0.000 1.069 76 A CA -0.311 51.769 52.037 0.072 0.000 0.763 76 A CB 0.114 19.142 19.000 0.047 0.000 1.001 76 A HN 0.673 nan 8.150 nan 0.000 0.498 77 K N 1.272 121.688 120.400 0.027 0.000 2.385 77 K HA 0.630 4.950 4.320 -0.001 0.000 0.248 77 K C -0.985 175.654 176.600 0.065 0.000 0.955 77 K CA -0.579 55.744 56.287 0.060 0.000 0.816 77 K CB 2.685 35.202 32.500 0.027 0.000 1.250 77 K HN 0.821 nan 8.250 nan 0.000 0.434 78 E N 0.676 120.923 120.200 0.078 0.000 2.343 78 E HA 0.292 4.641 4.350 -0.001 0.000 0.286 78 E C -0.890 175.792 176.600 0.136 0.000 0.915 78 E CA -0.507 55.951 56.400 0.096 0.000 0.784 78 E CB 1.565 31.257 29.700 -0.013 0.000 1.251 78 E HN 0.794 nan 8.360 nan 0.000 0.407 79 G N 1.855 110.797 108.800 0.237 0.000 2.588 79 G HA2 0.564 4.524 3.960 -0.001 0.000 0.281 79 G HA3 0.564 4.524 3.960 -0.001 0.000 0.281 79 G C -0.237 174.767 174.900 0.173 0.000 1.236 79 G CA -0.040 45.200 45.100 0.233 0.000 0.969 79 G HN 0.573 nan 8.290 nan 0.000 0.504 80 A N 0.690 123.555 122.820 0.075 0.000 2.407 80 A HA 0.598 4.917 4.320 -0.001 0.000 0.248 80 A C -1.728 175.835 177.584 -0.035 0.000 1.082 80 A CA -0.892 51.010 52.037 -0.225 0.000 0.785 80 A CB 0.191 19.010 19.000 -0.302 0.000 1.020 80 A HN 0.534 nan 8.150 nan 0.000 0.489 81 P HA 0.533 nan 4.420 nan 0.000 0.282 81 P C -1.230 176.216 177.300 0.244 0.000 1.249 81 P CA -0.011 63.137 63.100 0.081 0.000 0.806 81 P CB 0.816 32.514 31.700 -0.004 0.000 0.984 82 F N -0.737 119.302 119.950 0.148 0.000 2.574 82 F HA 0.603 5.130 4.527 -0.001 0.000 0.313 82 F C -0.325 175.461 175.800 -0.024 0.000 1.130 82 F CA -1.601 56.442 58.000 0.072 0.000 0.936 82 F CB 1.469 40.497 39.000 0.046 0.000 1.219 82 F HN 0.184 nan 8.300 nan 0.000 0.445 83 R N 2.371 122.817 120.500 -0.089 0.000 2.390 83 R HA 0.473 4.812 4.340 -0.001 0.000 0.291 83 R C -1.159 175.005 176.300 -0.227 0.000 1.070 83 R CA -0.183 55.706 56.100 -0.352 0.000 1.014 83 R CB 0.818 30.832 30.300 -0.478 0.000 1.007 83 R HN 0.784 nan 8.270 nan 0.000 0.466 84 E N 3.082 123.115 120.200 -0.279 0.000 2.302 84 E HA 0.247 4.596 4.350 -0.001 0.000 0.263 84 E C 0.189 176.681 176.600 -0.181 0.000 0.897 84 E CA 0.136 56.299 56.400 -0.396 0.000 0.809 84 E CB 1.701 30.697 29.700 -1.173 0.000 1.270 84 E HN 0.957 nan 8.360 nan 0.000 0.410 85 G N 4.322 113.043 108.800 -0.133 0.000 2.561 85 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.289 85 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.289 85 G C 0.457 175.294 174.900 -0.105 0.000 1.169 85 G CA 0.558 45.616 45.100 -0.070 0.000 0.980 85 G HN 0.582 nan 8.290 nan 0.000 0.550 86 R N -0.119 120.284 120.500 -0.161 0.000 2.515 86 R HA 0.560 4.900 4.340 -0.001 0.000 0.294 86 R C -0.334 175.689 176.300 -0.462 0.000 1.021 86 R CA -0.205 55.708 56.100 -0.310 0.000 1.081 86 R CB 0.067 30.138 30.300 -0.382 0.000 1.263 86 R HN 0.481 nan 8.270 nan 0.000 0.557 87 Y N -0.725 119.497 120.300 -0.131 0.000 2.605 87 Y HA 0.412 4.961 4.550 -0.001 0.000 0.343 87 Y C -0.446 175.280 175.900 -0.290 0.000 1.036 87 Y CA -1.364 56.599 58.100 -0.228 0.000 1.065 87 Y CB 1.555 39.712 38.460 -0.505 0.000 1.288 87 Y HN 0.021 nan 8.280 nan 0.000 0.481 88 H N 0.245 119.238 119.070 -0.128 0.000 2.466 88 H HA 0.469 5.025 4.556 -0.001 0.000 0.338 88 H C -1.458 173.647 175.328 -0.372 0.000 1.091 88 H CA -0.710 55.270 56.048 -0.112 0.000 1.207 88 H CB 0.850 30.630 29.762 0.031 0.000 1.466 88 H HN 0.507 nan 8.280 nan 0.000 0.493 89 Y N 2.807 122.767 120.300 -0.567 0.000 2.528 89 Y HA 0.515 5.065 4.550 -0.001 0.000 0.335 89 Y C -0.698 174.839 175.900 -0.606 0.000 1.093 89 Y CA -1.049 56.524 58.100 -0.878 0.000 1.134 89 Y CB 1.545 39.196 38.460 -1.347 0.000 1.253 89 Y HN 0.556 nan 8.280 nan 0.000 0.478 90 F N -1.166 118.657 119.950 -0.211 0.000 2.690 90 F HA 0.522 5.048 4.527 -0.001 0.000 0.311 90 F C -2.074 173.750 175.800 0.040 0.000 1.111 90 F CA -1.881 56.115 58.000 -0.006 0.000 1.003 90 F CB 0.324 39.336 39.000 0.020 0.000 1.283 90 F HN 0.154 nan 8.300 nan 0.000 0.442 91 F N 2.449 122.659 119.950 0.432 0.000 2.399 91 F HA 0.674 5.201 4.527 -0.001 0.000 0.342 91 F C 0.325 176.311 175.800 0.311 0.000 1.106 91 F CA -0.084 58.122 58.000 0.343 0.000 1.196 91 F CB 1.434 40.596 39.000 0.271 0.000 1.163 91 F HN 0.421 nan 8.300 nan 0.000 0.547 92 K N 1.697 122.387 120.400 0.482 0.000 2.482 92 K HA 0.426 4.745 4.320 -0.001 0.000 0.257 92 K C -1.360 175.396 176.600 0.260 0.000 0.969 92 K CA -1.244 55.196 56.287 0.255 0.000 0.842 92 K CB 2.380 34.848 32.500 -0.054 0.000 1.359 92 K HN 0.449 nan 8.250 nan 0.000 0.441 93 N N 1.714 120.501 118.700 0.145 0.000 2.542 93 N HA 0.035 4.775 4.740 -0.001 0.000 0.288 93 N C -1.126 174.419 175.510 0.059 0.000 1.115 93 N CA -0.303 52.819 53.050 0.119 0.000 0.924 93 N CB 1.476 40.014 38.487 0.085 0.000 1.526 93 N HN 0.665 nan 8.380 nan 0.000 0.515 94 D N 2.216 122.659 120.400 0.071 0.000 2.352 94 D HA 0.161 4.801 4.640 -0.001 0.000 0.232 94 D C 1.281 177.599 176.300 0.030 0.000 1.055 94 D CA 0.865 54.893 54.000 0.045 0.000 0.891 94 D CB -0.209 40.631 40.800 0.066 0.000 0.897 94 D HN 0.852 nan 8.370 nan 0.000 0.529 95 G N 0.057 108.861 108.800 0.006 0.000 2.258 95 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.233 95 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.233 95 G C 0.745 175.644 174.900 -0.002 0.000 1.006 95 G CA 0.298 45.391 45.100 -0.013 0.000 0.620 95 G HN 0.343 nan 8.290 nan 0.000 0.511 96 L N 1.222 122.448 121.223 0.007 0.000 2.640 96 L HA 0.437 4.776 4.340 -0.001 0.000 0.230 96 L C 1.113 177.969 176.870 -0.022 0.000 1.123 96 L CA 0.312 55.145 54.840 -0.010 0.000 0.900 96 L CB 0.203 42.268 42.059 0.010 0.000 1.146 96 L HN 0.362 nan 8.230 nan 0.000 0.484 97 Q N 0.277 120.073 119.800 -0.007 0.000 2.241 97 Q HA 0.185 4.525 4.340 -0.001 0.000 0.254 97 Q C 0.668 176.650 176.000 -0.030 0.000 0.917 97 Q CA -0.205 55.598 55.803 -0.000 0.000 0.919 97 Q CB 1.599 30.366 28.738 0.049 0.000 1.237 97 Q HN 0.190 nan 8.270 nan 0.000 0.434 98 N N 1.955 120.631 118.700 -0.039 0.000 2.058 98 N HA -0.179 4.560 4.740 -0.001 0.000 0.191 98 N C -0.318 175.177 175.510 -0.026 0.000 1.037 98 N CA 1.055 54.069 53.050 -0.059 0.000 0.848 98 N CB 0.447 38.903 38.487 -0.051 0.000 1.021 98 N HN 0.542 nan 8.380 nan 0.000 0.422 99 Q N 0.827 120.630 119.800 0.005 0.000 2.342 99 Q HA 0.295 4.635 4.340 -0.001 0.000 0.267 99 Q C -1.189 174.855 176.000 0.073 0.000 1.038 99 Q CA -0.970 54.849 55.803 0.026 0.000 0.832 99 Q CB 1.626 30.378 28.738 0.023 0.000 1.323 99 Q HN 0.222 nan 8.270 nan 0.000 0.448 100 N N 0.581 119.335 118.700 0.090 0.000 2.441 100 N HA 0.068 4.807 4.740 -0.001 0.000 0.251 100 N C -0.801 174.900 175.510 0.319 0.000 1.242 100 N CA 0.169 53.338 53.050 0.199 0.000 0.898 100 N CB 0.612 39.200 38.487 0.168 0.000 1.100 100 N HN 0.224 nan 8.380 nan 0.000 0.443 101 V N 2.254 122.403 119.914 0.392 0.000 2.472 101 V HA 0.232 4.352 4.120 -0.001 0.000 0.290 101 V C 0.104 176.441 176.094 0.404 0.000 1.037 101 V CA -0.902 61.598 62.300 0.332 0.000 0.908 101 V CB 1.658 33.643 31.823 0.269 0.000 0.985 101 V HN 0.412 nan 8.190 nan 0.000 0.454 102 L N 5.387 126.693 121.223 0.137 0.000 2.260 102 L HA 0.496 4.836 4.340 -0.001 0.000 0.289 102 L C -0.886 175.921 176.870 -0.105 0.000 1.057 102 L CA 0.084 54.848 54.840 -0.127 0.000 0.811 102 L CB 0.361 42.314 42.059 -0.176 0.000 1.184 102 L HN 0.610 nan 8.230 nan 0.000 0.429 103 W N 5.496 126.538 121.300 -0.431 0.000 2.485 103 W HA 0.727 5.387 4.660 -0.001 0.000 0.364 103 W C -0.009 175.952 176.519 -0.929 0.000 1.171 103 W CA -0.554 56.437 57.345 -0.590 0.000 1.304 103 W CB 0.967 30.007 29.460 -0.700 0.000 1.335 103 W HN 0.437 nan 8.180 nan 0.000 0.643 104 R N 1.422 121.571 120.500 -0.585 0.000 2.740 104 R HA 0.508 4.848 4.340 -0.001 0.000 0.273 104 R C -1.627 174.439 176.300 -0.391 0.000 0.998 104 R CA -0.668 54.928 56.100 -0.841 0.000 0.900 104 R CB 2.174 31.803 30.300 -1.118 0.000 1.223 104 R HN 0.640 nan 8.270 nan 0.000 0.466 105 Q N 2.268 121.939 119.800 -0.215 0.000 2.320 105 Q HA 0.216 4.556 4.340 -0.001 0.000 0.272 105 Q C -1.905 174.200 176.000 0.175 0.000 1.023 105 Q CA -0.639 55.211 55.803 0.078 0.000 0.855 105 Q CB 2.470 31.344 28.738 0.227 0.000 1.367 105 Q HN 0.671 nan 8.270 nan 0.000 0.406 106 Q N 1.748 121.657 119.800 0.182 0.000 2.248 106 Q HA 0.209 4.548 4.340 -0.001 0.000 0.263 106 Q C -0.835 175.188 176.000 0.038 0.000 1.007 106 Q CA -0.537 55.322 55.803 0.092 0.000 0.877 106 Q CB 1.565 30.317 28.738 0.023 0.000 1.315 106 Q HN 0.758 nan 8.270 nan 0.000 0.454 107 E N 1.055 121.256 120.200 0.002 0.000 3.025 107 E HA -0.212 4.138 4.350 -0.001 0.000 0.248 107 E C 0.496 177.091 176.600 -0.008 0.000 0.938 107 E CA 1.249 57.643 56.400 -0.011 0.000 0.958 107 E CB -0.296 29.393 29.700 -0.019 0.000 0.898 107 E HN 0.888 nan 8.360 nan 0.000 0.537 108 G N 4.307 113.099 108.800 -0.013 0.000 2.343 108 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.264 108 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.264 108 G C 0.314 175.218 174.900 0.006 0.000 0.989 108 G CA 1.046 46.141 45.100 -0.008 0.000 0.627 108 G HN 0.574 nan 8.290 nan 0.000 0.549 109 K N 1.592 122.004 120.400 0.020 0.000 2.107 109 K HA 0.426 4.746 4.320 -0.001 0.000 0.251 109 K C -2.091 174.539 176.600 0.051 0.000 1.012 109 K CA -1.237 55.072 56.287 0.035 0.000 0.920 109 K CB 0.749 33.278 32.500 0.048 0.000 1.033 109 K HN 0.153 nan 8.250 nan 0.000 0.478 110 P HA 0.063 nan 4.420 nan 0.000 0.275 110 P C -1.048 176.323 177.300 0.118 0.000 1.228 110 P CA -0.299 62.848 63.100 0.078 0.000 0.786 110 P CB 0.923 32.665 31.700 0.069 0.000 0.927 111 A N 2.988 125.913 122.820 0.176 0.000 2.462 111 A HA 0.307 4.626 4.320 -0.001 0.000 0.243 111 A C 0.547 178.318 177.584 0.312 0.000 1.076 111 A CA -0.104 52.100 52.037 0.278 0.000 0.773 111 A CB -0.254 18.998 19.000 0.420 0.000 1.010 111 A HN 0.690 nan 8.150 nan 0.000 0.493 112 E N 0.899 121.202 120.200 0.173 0.000 2.369 112 E HA 0.595 4.945 4.350 -0.001 0.000 0.270 112 E C -1.372 175.009 176.600 -0.364 0.000 0.909 112 E CA -1.027 55.341 56.400 -0.052 0.000 0.775 112 E CB 1.474 31.117 29.700 -0.094 0.000 1.270 112 E HN 0.272 nan 8.360 nan 0.000 0.445 113 V N 2.760 122.223 119.914 -0.752 0.000 2.637 113 V HA 0.000 4.120 4.120 -0.001 0.000 0.296 113 V C 0.002 175.822 176.094 -0.455 0.000 1.046 113 V CA 0.224 61.929 62.300 -0.993 0.000 1.066 113 V CB 0.450 31.726 31.823 -0.912 0.000 0.968 113 V HN 0.786 nan 8.190 nan 0.000 0.483 114 F N 5.378 125.023 119.950 -0.508 0.000 2.514 114 F HA 0.499 5.025 4.527 -0.001 0.000 0.281 114 F C 0.166 175.812 175.800 -0.256 0.000 1.060 114 F CA 0.266 58.072 58.000 -0.323 0.000 1.397 114 F CB 0.639 39.497 39.000 -0.236 0.000 1.129 114 F HN 0.350 nan 8.300 nan 0.000 0.620 115 L N 1.543 122.539 121.223 -0.378 0.000 2.541 115 L HA 0.353 4.692 4.340 -0.001 0.000 0.266 115 L C -1.933 174.794 176.870 -0.239 0.000 0.966 115 L CA -0.413 54.172 54.840 -0.426 0.000 0.871 115 L CB 1.125 42.899 42.059 -0.475 0.000 1.232 115 L HN 0.041 nan 8.230 nan 0.000 0.408 116 D N 6.274 126.537 120.400 -0.228 0.000 2.460 116 D HA 0.493 5.132 4.640 -0.001 0.000 0.232 116 D C -2.021 174.219 176.300 -0.100 0.000 1.079 116 D CA -2.169 51.751 54.000 -0.133 0.000 0.864 116 D CB 2.135 42.847 40.800 -0.146 0.000 1.048 116 D HN 0.282 nan 8.370 nan 0.000 0.523 117 P HA -0.094 nan 4.420 nan 0.000 0.218 117 P C 1.009 178.290 177.300 -0.031 0.000 1.148 117 P CA 0.685 63.760 63.100 -0.041 0.000 0.822 117 P CB 0.280 31.980 31.700 0.001 0.000 0.784 118 N N -0.900 117.788 118.700 -0.021 0.000 2.205 118 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 118 N C 1.591 177.083 175.510 -0.030 0.000 1.015 118 N CA 2.038 55.077 53.050 -0.019 0.000 0.862 118 N CB -0.836 37.645 38.487 -0.010 0.000 0.986 118 N HN 0.327 nan 8.380 nan 0.000 0.429 119 T N -1.072 113.455 114.554 -0.045 0.000 3.055 119 T HA 0.104 4.453 4.350 -0.001 0.000 0.265 119 T C 1.849 176.522 174.700 -0.045 0.000 1.111 119 T CA 0.197 62.268 62.100 -0.048 0.000 1.118 119 T CB -0.321 68.506 68.868 -0.067 0.000 0.909 119 T HN 0.108 nan 8.240 nan 0.000 0.501 120 L N 2.155 123.350 121.223 -0.047 0.000 2.622 120 L HA 0.217 4.557 4.340 -0.001 0.000 0.233 120 L C 0.508 177.363 176.870 -0.026 0.000 1.156 120 L CA -0.052 54.763 54.840 -0.042 0.000 0.866 120 L CB -0.703 41.325 42.059 -0.053 0.000 0.980 120 L HN 0.446 nan 8.230 nan 0.000 0.448 121 S N -4.063 111.624 115.700 -0.021 0.000 2.563 121 S HA 0.357 4.827 4.470 -0.001 0.000 0.279 121 S C -2.389 172.203 174.600 -0.013 0.000 1.155 121 S CA -1.058 57.134 58.200 -0.013 0.000 0.928 121 S CB 1.887 65.083 63.200 -0.007 0.000 1.107 121 S HN -0.273 nan 8.310 nan 0.000 0.462 122 P HA -0.165 nan 4.420 nan 0.000 0.213 122 P C 0.243 177.537 177.300 -0.010 0.000 1.176 122 P CA 1.924 65.018 63.100 -0.010 0.000 0.919 122 P CB -0.189 31.507 31.700 -0.007 0.000 0.791 123 D N -2.323 118.073 120.400 -0.008 0.000 2.370 123 D HA 0.302 4.941 4.640 -0.001 0.000 0.230 123 D C 0.823 177.117 176.300 -0.011 0.000 1.143 123 D CA 0.183 54.177 54.000 -0.009 0.000 0.834 123 D CB -1.059 39.738 40.800 -0.004 0.000 0.944 123 D HN 0.150 nan 8.370 nan 0.000 0.504 124 G N 1.112 109.906 108.800 -0.011 0.000 2.366 124 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.299 124 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.299 124 G C 1.098 175.995 174.900 -0.004 0.000 1.020 124 G CA 1.038 46.131 45.100 -0.011 0.000 1.026 124 G HN 0.478 nan 8.290 nan 0.000 0.512 125 T N -3.121 111.435 114.554 0.002 0.000 2.852 125 T HA 0.105 4.454 4.350 -0.001 0.000 0.256 125 T C 1.453 176.163 174.700 0.017 0.000 1.038 125 T CA 1.387 63.494 62.100 0.011 0.000 1.141 125 T CB -0.053 68.824 68.868 0.016 0.000 0.869 125 T HN 0.454 nan 8.240 nan 0.000 0.439 126 T N 2.970 117.532 114.554 0.013 0.000 2.888 126 T HA 0.564 4.913 4.350 -0.001 0.000 0.301 126 T C -0.036 174.674 174.700 0.015 0.000 1.001 126 T CA -0.086 62.025 62.100 0.017 0.000 1.147 126 T CB 0.590 69.462 68.868 0.006 0.000 0.931 126 T HN 0.671 nan 8.240 nan 0.000 0.541 127 A N 3.018 125.855 122.820 0.027 0.000 2.401 127 A HA 0.732 5.051 4.320 -0.001 0.000 0.310 127 A C -0.701 176.910 177.584 0.044 0.000 1.075 127 A CA -0.873 51.181 52.037 0.028 0.000 0.746 127 A CB 1.108 20.125 19.000 0.028 0.000 1.277 127 A HN 0.755 nan 8.150 nan 0.000 0.425 128 L N 1.365 122.615 121.223 0.045 0.000 2.319 128 L HA 0.406 4.745 4.340 -0.001 0.000 0.280 128 L C 0.402 177.314 176.870 0.069 0.000 1.099 128 L CA 0.348 55.234 54.840 0.077 0.000 0.828 128 L CB 0.655 42.755 42.059 0.069 0.000 1.150 128 L HN 0.895 nan 8.230 nan 0.000 0.442 129 D N 2.494 122.951 120.400 0.094 0.000 2.685 129 D HA 0.106 4.745 4.640 -0.001 0.000 0.257 129 D C -0.227 176.122 176.300 0.083 0.000 1.472 129 D CA 0.684 54.729 54.000 0.074 0.000 1.125 129 D CB 0.387 41.234 40.800 0.079 0.000 0.969 129 D HN 0.678 nan 8.370 nan 0.000 0.281 130 Q N -0.556 119.305 119.800 0.101 0.000 2.257 130 Q HA 0.574 4.914 4.340 -0.001 0.000 0.262 130 Q C -0.999 175.084 176.000 0.139 0.000 0.997 130 Q CA -1.007 54.859 55.803 0.104 0.000 0.873 130 Q CB 2.419 31.208 28.738 0.085 0.000 1.312 130 Q HN 0.321 nan 8.270 nan 0.000 0.450 131 L N -1.468 119.839 121.223 0.141 0.000 2.381 131 L HA 0.821 5.161 4.340 -0.001 0.000 0.268 131 L C -0.609 176.323 176.870 0.103 0.000 0.997 131 L CA -0.563 54.353 54.840 0.127 0.000 0.818 131 L CB 2.137 44.282 42.059 0.143 0.000 1.310 131 L HN 0.409 nan 8.230 nan 0.000 0.416 132 S N 1.990 117.729 115.700 0.063 0.000 2.736 132 S HA 0.749 5.218 4.470 -0.001 0.000 0.285 132 S C -1.205 173.510 174.600 0.191 0.000 1.163 132 S CA -0.343 57.983 58.200 0.209 0.000 1.025 132 S CB 0.270 63.636 63.200 0.277 0.000 1.030 132 S HN 0.444 nan 8.310 nan 0.000 0.486 133 F N 3.055 123.038 119.950 0.055 0.000 2.379 133 F HA 0.431 4.958 4.527 -0.001 0.000 0.332 133 F C 1.423 176.785 175.800 -0.730 0.000 1.096 133 F CA -0.329 57.541 58.000 -0.216 0.000 1.105 133 F CB 1.348 40.236 39.000 -0.186 0.000 1.189 133 F HN 0.610 nan 8.300 nan 0.000 0.515 134 S N 1.609 116.687 115.700 -1.038 0.000 2.589 134 S HA 0.137 4.606 4.470 -0.001 0.000 0.265 134 S C 1.272 175.600 174.600 -0.452 0.000 1.342 134 S CA -0.778 56.568 58.200 -1.422 0.000 1.005 134 S CB 0.875 63.321 63.200 -1.257 0.000 0.909 134 S HN 0.699 nan 8.310 nan 0.000 0.555 135 R N 1.543 121.912 120.500 -0.218 0.000 2.119 135 R HA -0.169 4.171 4.340 -0.001 0.000 0.246 135 R C 1.342 177.605 176.300 -0.062 0.000 1.146 135 R CA 2.334 58.404 56.100 -0.051 0.000 0.962 135 R CB -1.050 29.271 30.300 0.035 0.000 0.863 135 R HN 0.935 nan 8.270 nan 0.000 0.442 136 D N -2.106 118.246 120.400 -0.080 0.000 2.340 136 D HA 0.116 4.756 4.640 -0.001 0.000 0.220 136 D C 1.042 177.311 176.300 -0.052 0.000 1.039 136 D CA 0.729 54.698 54.000 -0.051 0.000 0.866 136 D CB -0.235 40.549 40.800 -0.027 0.000 0.913 136 D HN 0.334 nan 8.370 nan 0.000 0.523 137 G N 0.882 109.640 108.800 -0.070 0.000 2.166 137 G HA2 -0.420 3.540 3.960 -0.001 0.000 0.260 137 G HA3 -0.420 3.540 3.960 -0.001 0.000 0.260 137 G C 1.148 176.109 174.900 0.101 0.000 0.986 137 G CA 0.477 45.569 45.100 -0.013 0.000 0.683 137 G HN 0.469 nan 8.290 nan 0.000 0.527 138 R N -0.966 119.561 120.500 0.046 0.000 2.246 138 R HA 0.324 4.664 4.340 -0.001 0.000 0.199 138 R C 0.676 177.040 176.300 0.106 0.000 0.984 138 R CA 0.546 56.701 56.100 0.092 0.000 1.015 138 R CB 0.429 30.763 30.300 0.056 0.000 0.930 138 R HN 0.397 nan 8.270 nan 0.000 0.475 139 I N 1.122 121.707 120.570 0.024 0.000 2.608 139 I HA 0.293 4.462 4.170 -0.001 0.000 0.295 139 I C -1.018 175.091 176.117 -0.013 0.000 1.049 139 I CA -1.333 59.994 61.300 0.045 0.000 1.063 139 I CB 2.023 40.054 38.000 0.053 0.000 1.248 139 I HN -0.111 nan 8.210 nan 0.000 0.424 140 L N 5.324 126.580 121.223 0.055 0.000 2.356 140 L HA 0.858 5.198 4.340 -0.001 0.000 0.277 140 L C -0.505 176.442 176.870 0.128 0.000 0.996 140 L CA -0.171 54.594 54.840 -0.124 0.000 0.822 140 L CB 1.562 43.416 42.059 -0.341 0.000 1.256 140 L HN 0.708 nan 8.230 nan 0.000 0.413 141 A N 4.825 127.734 122.820 0.149 0.000 2.304 141 A HA 0.772 5.092 4.320 -0.001 0.000 0.323 141 A C -1.602 175.981 177.584 -0.001 0.000 1.195 141 A CA -0.344 51.676 52.037 -0.027 0.000 0.826 141 A CB 0.594 19.362 19.000 -0.387 0.000 1.184 141 A HN 0.867 nan 8.150 nan 0.000 0.496 142 Y N 0.181 120.418 120.300 -0.105 0.000 2.513 142 Y HA 0.705 5.255 4.550 -0.001 0.000 0.340 142 Y C -0.189 175.697 175.900 -0.023 0.000 1.055 142 Y CA -0.919 57.142 58.100 -0.064 0.000 1.020 142 Y CB 1.032 39.464 38.460 -0.046 0.000 1.301 142 Y HN 0.648 nan 8.280 nan 0.000 0.453 143 S N 3.813 119.566 115.700 0.087 0.000 2.525 143 S HA 0.831 5.300 4.470 -0.001 0.000 0.290 143 S C -1.027 173.649 174.600 0.127 0.000 1.152 143 S CA -0.771 57.460 58.200 0.052 0.000 1.072 143 S CB 1.309 64.535 63.200 0.043 0.000 1.027 143 S HN 0.753 nan 8.310 nan 0.000 0.500 144 L N 2.406 123.690 121.223 0.103 0.000 2.365 144 L HA 0.574 4.914 4.340 -0.001 0.000 0.273 144 L C -0.145 176.779 176.870 0.090 0.000 1.000 144 L CA -0.760 54.135 54.840 0.091 0.000 0.819 144 L CB 2.415 44.488 42.059 0.024 0.000 1.284 144 L HN 0.928 nan 8.230 nan 0.000 0.418 145 S N 2.937 118.685 115.700 0.080 0.000 2.461 145 S HA 0.602 5.071 4.470 -0.001 0.000 0.322 145 S C -0.590 174.055 174.600 0.075 0.000 1.063 145 S CA -0.808 57.444 58.200 0.087 0.000 1.120 145 S CB 0.719 63.967 63.200 0.080 0.000 0.968 145 S HN 0.323 nan 8.310 nan 0.000 0.467 146 L N 3.444 124.715 121.223 0.081 0.000 2.417 146 L HA 0.671 5.010 4.340 -0.001 0.000 0.268 146 L C 1.147 178.057 176.870 0.067 0.000 1.158 146 L CA 1.440 56.316 54.840 0.061 0.000 0.819 146 L CB -0.152 41.938 42.059 0.052 0.000 1.112 146 L HN 1.176 nan 8.230 nan 0.000 0.458 147 A N 2.785 125.637 122.820 0.053 0.000 5.700 147 A HA -0.091 4.229 4.320 -0.001 0.000 0.288 147 A C 0.825 178.452 177.584 0.070 0.000 2.009 147 A CA 0.819 52.892 52.037 0.060 0.000 0.716 147 A CB -1.889 17.148 19.000 0.063 0.000 1.208 147 A HN 1.324 nan 8.150 nan 0.000 0.371 148 G N -0.892 107.960 108.800 0.085 0.000 4.828 148 G HA2 0.631 4.591 3.960 -0.001 0.000 0.294 148 G HA3 0.631 4.591 3.960 -0.001 0.000 0.294 148 G C 0.033 174.996 174.900 0.104 0.000 1.288 148 G CA 1.528 46.681 45.100 0.087 0.000 0.987 148 G HN 1.942 nan 8.290 nan 0.000 0.587 149 S N -1.309 114.462 115.700 0.118 0.000 2.747 149 S HA 0.452 4.921 4.470 -0.001 0.000 0.300 149 S C 0.158 174.812 174.600 0.089 0.000 1.121 149 S CA -0.597 57.686 58.200 0.139 0.000 0.995 149 S CB 2.266 65.606 63.200 0.233 0.000 1.113 149 S HN -0.087 nan 8.310 nan 0.000 0.547 150 D N -0.264 120.133 120.400 -0.006 0.000 2.355 150 D HA 0.160 4.799 4.640 -0.001 0.000 0.218 150 D C -0.477 175.632 176.300 -0.318 0.000 1.004 150 D CA 0.129 54.018 54.000 -0.186 0.000 0.880 150 D CB -0.012 40.582 40.800 -0.344 0.000 0.911 150 D HN 0.518 nan 8.370 nan 0.000 0.528 151 W N 1.369 122.620 121.300 -0.082 0.000 2.184 151 W HA 0.282 4.941 4.660 -0.001 0.000 0.338 151 W C 1.223 177.728 176.519 -0.023 0.000 1.257 151 W CA -0.332 56.977 57.345 -0.059 0.000 1.243 151 W CB 0.896 30.339 29.460 -0.029 0.000 1.122 151 W HN -0.414 nan 8.180 nan 0.000 0.585 152 R N 1.051 121.718 120.500 0.279 0.000 2.817 152 R HA 0.457 4.797 4.340 -0.001 0.000 0.268 152 R C -1.460 174.922 176.300 0.138 0.000 1.027 152 R CA -1.294 54.905 56.100 0.165 0.000 0.928 152 R CB 2.080 32.444 30.300 0.107 0.000 1.228 152 R HN 0.503 nan 8.270 nan 0.000 0.469 153 E N 0.742 120.993 120.200 0.085 0.000 2.292 153 E HA 0.444 4.794 4.350 -0.001 0.000 0.272 153 E C -1.021 175.567 176.600 -0.020 0.000 0.881 153 E CA -0.560 55.847 56.400 0.012 0.000 0.754 153 E CB 2.155 31.893 29.700 0.064 0.000 1.201 153 E HN 0.359 nan 8.360 nan 0.000 0.425 154 I N 3.849 124.313 120.570 -0.177 0.000 2.328 154 I HA 0.253 4.423 4.170 -0.001 0.000 0.287 154 I C -0.565 175.328 176.117 -0.373 0.000 1.012 154 I CA -0.501 60.649 61.300 -0.249 0.000 1.195 154 I CB 0.653 38.463 38.000 -0.317 0.000 1.350 154 I HN 0.470 nan 8.210 nan 0.000 0.464 155 H N 6.041 124.749 119.070 -0.603 0.000 2.482 155 H HA 0.585 5.141 4.556 -0.001 0.000 0.344 155 H C -0.654 174.352 175.328 -0.536 0.000 1.151 155 H CA -0.307 55.359 56.048 -0.637 0.000 1.300 155 H CB 1.288 30.481 29.762 -0.948 0.000 1.494 155 H HN 0.396 nan 8.280 nan 0.000 0.542 156 L N 3.015 124.143 121.223 -0.158 0.000 2.343 156 L HA 0.373 4.712 4.340 -0.001 0.000 0.278 156 L C -0.661 176.266 176.870 0.096 0.000 0.996 156 L CA -0.316 54.532 54.840 0.013 0.000 0.831 156 L CB 1.088 43.194 42.059 0.079 0.000 1.232 156 L HN 0.441 nan 8.230 nan 0.000 0.413 157 M N 2.843 122.547 119.600 0.173 0.000 2.436 157 M HA 0.359 4.839 4.480 -0.001 0.000 0.331 157 M C -1.046 175.355 176.300 0.169 0.000 1.135 157 M CA -0.557 54.847 55.300 0.174 0.000 0.987 157 M CB 2.126 34.855 32.600 0.214 0.000 1.687 157 M HN 0.471 nan 8.290 nan 0.000 0.445 158 D N 3.075 123.558 120.400 0.139 0.000 2.325 158 D HA 0.197 4.837 4.640 -0.001 0.000 0.251 158 D C 0.787 177.202 176.300 0.192 0.000 1.196 158 D CA -0.267 53.821 54.000 0.147 0.000 0.866 158 D CB 1.157 42.024 40.800 0.112 0.000 1.101 158 D HN 0.446 nan 8.370 nan 0.000 0.476 159 V N 3.458 123.525 119.914 0.254 0.000 2.490 159 V HA -0.173 3.946 4.120 -0.001 0.000 0.250 159 V C 2.120 178.411 176.094 0.328 0.000 1.061 159 V CA 1.531 64.062 62.300 0.385 0.000 1.064 159 V CB -0.608 31.442 31.823 0.378 0.000 0.670 159 V HN 0.596 nan 8.190 nan 0.000 0.461 160 E N 1.145 121.486 120.200 0.235 0.000 2.015 160 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 160 E C 2.435 179.124 176.600 0.148 0.000 0.991 160 E CA 1.767 58.291 56.400 0.207 0.000 0.802 160 E CB -0.377 29.424 29.700 0.167 0.000 0.759 160 E HN 0.686 nan 8.360 nan 0.000 0.447 161 S N -0.544 115.224 115.700 0.114 0.000 2.496 161 S HA 0.019 4.488 4.470 -0.001 0.000 0.224 161 S C 0.613 175.235 174.600 0.036 0.000 0.996 161 S CA 0.617 58.857 58.200 0.067 0.000 0.927 161 S CB -0.160 63.072 63.200 0.054 0.000 0.774 161 S HN 0.293 nan 8.310 nan 0.000 0.524 162 K N 0.043 120.475 120.400 0.053 0.000 3.209 162 K HA -0.123 4.197 4.320 -0.001 0.000 0.289 162 K C -0.553 176.007 176.600 -0.066 0.000 1.191 162 K CA 0.978 57.231 56.287 -0.057 0.000 0.851 162 K CB -1.283 31.125 32.500 -0.155 0.000 1.242 162 K HN 0.465 nan 8.250 nan 0.000 0.480 163 Q N -0.621 119.178 119.800 -0.001 0.000 2.297 163 Q HA 0.426 4.765 4.340 -0.001 0.000 0.269 163 Q C -2.539 173.483 176.000 0.036 0.000 1.051 163 Q CA -2.430 53.376 55.803 0.005 0.000 0.869 163 Q CB 0.983 29.727 28.738 0.011 0.000 1.346 163 Q HN -0.161 nan 8.270 nan 0.000 0.457 164 P HA -0.035 nan 4.420 nan 0.000 0.265 164 P C 0.261 177.591 177.300 0.049 0.000 1.193 164 P CA 0.060 63.191 63.100 0.052 0.000 0.765 164 P CB 0.532 32.255 31.700 0.039 0.000 0.823 165 L N 3.928 125.188 121.223 0.063 0.000 2.130 165 L HA 0.179 4.519 4.340 -0.001 0.000 0.200 165 L C 0.588 177.487 176.870 0.048 0.000 1.075 165 L CA 1.799 56.680 54.840 0.070 0.000 0.768 165 L CB -0.160 41.964 42.059 0.108 0.000 0.933 165 L HN 0.361 nan 8.230 nan 0.000 0.451 166 E N -1.633 118.586 120.200 0.032 0.000 2.450 166 E HA 0.253 4.603 4.350 -0.001 0.000 0.272 166 E C -1.031 175.537 176.600 -0.053 0.000 0.967 166 E CA -0.790 55.613 56.400 0.004 0.000 0.818 166 E CB 0.976 30.696 29.700 0.034 0.000 1.401 166 E HN -0.095 nan 8.360 nan 0.000 0.450 167 T N 2.142 116.650 114.554 -0.077 0.000 2.926 167 T HA 0.168 4.518 4.350 -0.001 0.000 0.307 167 T C -2.138 172.426 174.700 -0.227 0.000 1.059 167 T CA -1.343 60.678 62.100 -0.132 0.000 1.122 167 T CB 0.309 69.111 68.868 -0.110 0.000 0.972 167 T HN 0.188 nan 8.240 nan 0.000 0.545 168 P HA 0.180 nan 4.420 nan 0.000 0.269 168 P C -0.540 176.525 177.300 -0.392 0.000 1.215 168 P CA -0.296 62.505 63.100 -0.499 0.000 0.780 168 P CB 0.496 31.669 31.700 -0.878 0.000 0.898 169 L N 2.164 123.137 121.223 -0.418 0.000 2.326 169 L HA 0.296 4.635 4.340 -0.001 0.000 0.278 169 L C 1.095 177.801 176.870 -0.273 0.000 1.092 169 L CA -0.268 54.334 54.840 -0.398 0.000 0.810 169 L CB 0.329 42.050 42.059 -0.563 0.000 1.153 169 L HN 0.331 nan 8.230 nan 0.000 0.439 170 K N 1.613 121.898 120.400 -0.193 0.000 2.211 170 K HA 0.303 4.622 4.320 -0.001 0.000 0.237 170 K C -0.529 176.068 176.600 -0.006 0.000 1.002 170 K CA -0.906 55.318 56.287 -0.104 0.000 0.885 170 K CB 1.013 33.444 32.500 -0.115 0.000 1.136 170 K HN 0.520 nan 8.250 nan 0.000 0.448 171 D N -0.010 120.428 120.400 0.062 0.000 2.723 171 D HA -0.138 4.502 4.640 -0.001 0.000 0.236 171 D C -0.729 175.848 176.300 0.462 0.000 1.138 171 D CA 0.602 54.755 54.000 0.256 0.000 0.676 171 D CB -1.483 39.406 40.800 0.148 0.000 1.069 171 D HN 0.072 nan 8.370 nan 0.000 0.430 172 V N 0.157 120.292 119.914 0.369 0.000 2.539 172 V HA 0.533 4.653 4.120 -0.001 0.000 0.292 172 V C 0.573 176.814 176.094 0.245 0.000 1.045 172 V CA -0.115 62.373 62.300 0.314 0.000 0.945 172 V CB 2.369 34.303 31.823 0.185 0.000 0.993 172 V HN 0.156 nan 8.190 nan 0.000 0.464 173 K N 3.110 123.590 120.400 0.134 0.000 2.557 173 K HA 0.400 4.719 4.320 -0.001 0.000 0.261 173 K C -1.097 175.514 176.600 0.019 0.000 0.932 173 K CA -0.733 55.434 56.287 -0.201 0.000 0.829 173 K CB 1.126 33.206 32.500 -0.700 0.000 1.358 173 K HN 0.323 nan 8.250 nan 0.000 0.430 174 F N -0.058 119.952 119.950 0.100 0.000 2.970 174 F HA -0.222 4.305 4.527 -0.001 0.000 0.251 174 F C 0.088 176.037 175.800 0.248 0.000 0.993 174 F CA 1.126 59.209 58.000 0.140 0.000 0.869 174 F CB -1.865 37.209 39.000 0.124 0.000 0.762 174 F HN 0.362 nan 8.300 nan 0.000 0.817 175 S N -0.710 115.181 115.700 0.318 0.000 2.566 175 S HA 0.886 5.355 4.470 -0.001 0.000 0.298 175 S C 0.402 175.121 174.600 0.198 0.000 1.083 175 S CA 0.027 58.385 58.200 0.264 0.000 0.978 175 S CB 1.840 65.205 63.200 0.275 0.000 1.073 175 S HN 0.631 nan 8.310 nan 0.000 0.491 176 G N 1.422 110.332 108.800 0.185 0.000 2.557 176 G HA2 0.716 4.676 3.960 -0.001 0.000 0.302 176 G HA3 0.716 4.676 3.960 -0.001 0.000 0.302 176 G C -1.052 173.948 174.900 0.166 0.000 1.311 176 G CA -0.760 44.432 45.100 0.153 0.000 1.030 176 G HN 0.755 nan 8.290 nan 0.000 0.509 177 I N 0.552 121.199 120.570 0.129 0.000 2.576 177 I HA 0.247 4.417 4.170 -0.001 0.000 0.279 177 I C -0.482 175.712 176.117 0.128 0.000 1.114 177 I CA -0.261 61.068 61.300 0.049 0.000 1.076 177 I CB 1.981 39.894 38.000 -0.145 0.000 1.212 177 I HN 0.350 nan 8.210 nan 0.000 0.472 178 S N 5.336 121.186 115.700 0.250 0.000 2.640 178 S HA 0.485 4.954 4.470 -0.001 0.000 0.320 178 S C -1.063 173.808 174.600 0.450 0.000 1.097 178 S CA -0.406 58.001 58.200 0.343 0.000 1.092 178 S CB 0.607 63.999 63.200 0.321 0.000 0.988 178 S HN 0.377 nan 8.310 nan 0.000 0.470 179 W N 4.092 125.619 121.300 0.378 0.000 2.190 179 W HA 0.376 5.036 4.660 -0.001 0.000 0.330 179 W C 0.111 176.867 176.519 0.395 0.000 1.299 179 W CA -0.546 57.040 57.345 0.402 0.000 1.215 179 W CB 0.510 30.144 29.460 0.289 0.000 1.147 179 W HN 0.425 nan 8.180 nan 0.000 0.563 180 L N 5.239 126.861 121.223 0.665 0.000 2.314 180 L HA 0.584 4.923 4.340 -0.001 0.000 0.275 180 L C 0.769 177.904 176.870 0.442 0.000 1.068 180 L CA 0.455 55.592 54.840 0.495 0.000 0.894 180 L CB -0.225 42.077 42.059 0.405 0.000 1.275 180 L HN 0.788 nan 8.230 nan 0.000 0.432 181 G N 4.623 113.639 108.800 0.361 0.000 2.629 181 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.313 181 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.313 181 G C 0.691 175.780 174.900 0.314 0.000 1.217 181 G CA 0.571 45.831 45.100 0.266 0.000 0.994 181 G HN 0.645 nan 8.290 nan 0.000 0.549 182 N N 1.083 119.943 118.700 0.267 0.000 2.170 182 N HA 0.157 4.896 4.740 -0.001 0.000 0.222 182 N C 1.601 177.328 175.510 0.362 0.000 1.218 182 N CA 0.680 53.880 53.050 0.249 0.000 0.889 182 N CB 0.928 39.478 38.487 0.105 0.000 1.083 182 N HN 0.733 nan 8.380 nan 0.000 0.520 183 E N 0.565 120.992 120.200 0.378 0.000 2.046 183 E HA 0.087 4.436 4.350 -0.001 0.000 0.190 183 E C 1.058 177.828 176.600 0.284 0.000 0.982 183 E CA 0.681 57.270 56.400 0.315 0.000 0.800 183 E CB 0.326 30.213 29.700 0.313 0.000 0.756 183 E HN 0.279 nan 8.360 nan 0.000 0.449 184 G N -0.172 108.831 108.800 0.338 0.000 2.325 184 G HA2 0.369 4.329 3.960 -0.001 0.000 0.295 184 G HA3 0.369 4.329 3.960 -0.001 0.000 0.295 184 G C -1.787 172.868 174.900 -0.408 0.000 1.274 184 G CA -0.600 44.304 45.100 -0.327 0.000 0.857 184 G HN 0.137 nan 8.290 nan 0.000 0.499 185 F N -1.832 117.567 119.950 -0.919 0.000 2.643 185 F HA 0.882 5.409 4.527 -0.001 0.000 0.314 185 F C -1.467 174.132 175.800 -0.334 0.000 1.096 185 F CA -2.126 55.533 58.000 -0.568 0.000 0.953 185 F CB 1.176 39.581 39.000 -0.992 0.000 1.345 185 F HN 0.392 nan 8.300 nan 0.000 0.468 186 F N 1.873 122.055 119.950 0.386 0.000 2.399 186 F HA 0.651 5.178 4.527 -0.001 0.000 0.334 186 F C -0.280 175.788 175.800 0.446 0.000 1.097 186 F CA -0.593 57.627 58.000 0.366 0.000 1.076 186 F CB 1.423 40.589 39.000 0.277 0.000 1.162 186 F HN 0.654 nan 8.300 nan 0.000 0.495 187 Y N -1.606 118.920 120.300 0.377 0.000 2.670 187 Y HA 0.762 5.312 4.550 -0.001 0.000 0.334 187 Y C -1.370 174.652 175.900 0.202 0.000 1.185 187 Y CA -1.388 56.876 58.100 0.273 0.000 1.053 187 Y CB 1.058 39.688 38.460 0.284 0.000 1.298 187 Y HN 0.348 nan 8.280 nan 0.000 0.459 188 S N 1.167 116.950 115.700 0.138 0.000 2.532 188 S HA 0.794 5.263 4.470 -0.001 0.000 0.301 188 S C -1.085 173.561 174.600 0.076 0.000 1.083 188 S CA -0.666 57.453 58.200 -0.135 0.000 1.025 188 S CB 1.580 64.530 63.200 -0.418 0.000 1.056 188 S HN 0.827 nan 8.310 nan 0.000 0.494 189 S N 0.323 116.028 115.700 0.009 0.000 2.552 189 S HA 0.485 4.955 4.470 -0.001 0.000 0.272 189 S C -1.113 173.620 174.600 0.222 0.000 1.150 189 S CA -0.503 57.841 58.200 0.240 0.000 0.849 189 S CB 0.469 63.877 63.200 0.347 0.000 1.113 189 S HN 0.605 nan 8.310 nan 0.000 0.458 190 Y N 1.412 121.982 120.300 0.450 0.000 2.523 190 Y HA 0.300 4.850 4.550 -0.001 0.000 0.279 190 Y C 0.884 176.956 175.900 0.288 0.000 1.139 190 Y CA 0.178 58.492 58.100 0.357 0.000 1.296 190 Y CB 0.295 38.915 38.460 0.267 0.000 1.045 190 Y HN 0.529 nan 8.280 nan 0.000 0.538 191 D N -0.791 119.849 120.400 0.399 0.000 2.525 191 D HA 0.301 4.940 4.640 -0.001 0.000 0.249 191 D C -0.561 175.874 176.300 0.224 0.000 1.072 191 D CA -0.703 53.460 54.000 0.272 0.000 1.067 191 D CB 1.461 42.380 40.800 0.199 0.000 1.282 191 D HN -0.068 nan 8.370 nan 0.000 0.587 192 K N 0.388 120.875 120.400 0.146 0.000 2.098 192 K HA 0.512 4.832 4.320 -0.001 0.000 0.258 192 K C -2.225 174.336 176.600 -0.066 0.000 0.973 192 K CA -1.039 55.295 56.287 0.078 0.000 0.898 192 K CB 0.742 33.325 32.500 0.140 0.000 1.057 192 K HN 0.181 nan 8.250 nan 0.000 0.447 203 D N 0.772 121.127 120.400 -0.075 0.000 2.571 203 D HA 0.140 4.780 4.640 -0.001 0.000 0.239 203 D C 0.029 176.392 176.300 0.105 0.000 1.267 203 D CA -0.275 53.649 54.000 -0.126 0.000 0.823 203 D CB 0.198 40.912 40.800 -0.143 0.000 1.056 203 D HN 0.504 nan 8.370 nan 0.000 0.494 204 Q N 0.935 120.866 119.800 0.220 0.000 2.509 204 Q HA 0.187 4.526 4.340 -0.001 0.000 0.236 204 Q C -0.603 175.621 176.000 0.374 0.000 1.073 204 Q CA -0.392 55.519 55.803 0.179 0.000 0.867 204 Q CB 1.261 29.933 28.738 -0.110 0.000 1.181 204 Q HN 0.367 nan 8.270 nan 0.000 0.526 205 H N 2.460 121.670 119.070 0.232 0.000 2.848 205 H HA 0.166 4.721 4.556 -0.001 0.000 0.341 205 H C -0.519 174.813 175.328 0.006 0.000 1.060 205 H CA 0.319 56.284 56.048 -0.139 0.000 1.444 205 H CB 0.714 30.378 29.762 -0.164 0.000 1.446 205 H HN 0.357 nan 8.280 nan 0.000 0.583 206 K N 3.069 123.392 120.400 -0.129 0.000 2.435 206 K HA 0.384 4.704 4.320 -0.001 0.000 0.251 206 K C -1.260 175.145 176.600 -0.326 0.000 0.954 206 K CA -0.996 55.179 56.287 -0.188 0.000 0.820 206 K CB 2.828 35.162 32.500 -0.277 0.000 1.292 206 K HN 0.206 nan 8.250 nan 0.000 0.436 207 V N 2.617 122.363 119.914 -0.280 0.000 2.427 207 V HA 0.370 4.489 4.120 -0.001 0.000 0.286 207 V C -1.094 174.774 176.094 -0.377 0.000 1.034 207 V CA -0.546 61.624 62.300 -0.218 0.000 0.893 207 V CB 0.317 32.123 31.823 -0.029 0.000 0.982 207 V HN 0.573 nan 8.190 nan 0.000 0.452 208 Y N 3.454 123.587 120.300 -0.278 0.000 2.562 208 Y HA 0.626 5.176 4.550 -0.001 0.000 0.343 208 Y C -0.580 175.237 175.900 -0.140 0.000 1.025 208 Y CA -0.970 56.966 58.100 -0.273 0.000 1.082 208 Y CB 2.125 40.235 38.460 -0.583 0.000 1.264 208 Y HN 0.582 nan 8.280 nan 0.000 0.478 209 F N 1.938 121.863 119.950 -0.042 0.000 2.427 209 F HA 0.384 4.910 4.527 -0.001 0.000 0.348 209 F C -0.857 174.810 175.800 -0.221 0.000 1.125 209 F CA -0.896 56.897 58.000 -0.345 0.000 0.989 209 F CB 0.493 39.148 39.000 -0.576 0.000 1.165 209 F HN 0.540 nan 8.300 nan 0.000 0.442 210 H N 5.885 124.249 119.070 -1.176 0.000 2.594 210 H HA 0.379 4.934 4.556 -0.001 0.000 0.304 210 H C -0.502 173.960 175.328 -1.442 0.000 1.068 210 H CA -0.402 54.983 56.048 -1.104 0.000 1.308 210 H CB 0.583 29.608 29.762 -1.229 0.000 1.409 210 H HN 0.723 nan 8.280 nan 0.000 0.460 211 R N 5.774 125.465 120.500 -1.348 0.000 2.254 211 R HA 0.260 4.600 4.340 -0.001 0.000 0.318 211 R C -0.475 175.341 176.300 -0.808 0.000 1.031 211 R CA -0.688 54.896 56.100 -0.861 0.000 0.905 211 R CB 0.479 30.592 30.300 -0.312 0.000 1.050 211 R HN 0.669 nan 8.270 nan 0.000 0.456 212 L N 3.996 124.956 121.223 -0.440 0.000 2.525 212 L HA 0.042 4.381 4.340 -0.001 0.000 0.278 212 L C 1.301 178.094 176.870 -0.129 0.000 1.218 212 L CA 1.284 56.016 54.840 -0.180 0.000 0.878 212 L CB 0.669 42.767 42.059 0.065 0.000 1.127 212 L HN 1.141 nan 8.230 nan 0.000 0.492 213 G N 1.401 110.160 108.800 -0.069 0.000 2.141 213 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.242 213 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.242 213 G C 0.136 174.997 174.900 -0.066 0.000 0.982 213 G CA 0.180 45.256 45.100 -0.039 0.000 0.662 213 G HN 0.886 nan 8.290 nan 0.000 0.527 214 T N -2.731 111.750 114.554 -0.121 0.000 2.883 214 T HA 0.896 5.246 4.350 -0.001 0.000 0.296 214 T C 0.110 174.801 174.700 -0.015 0.000 1.117 214 T CA 0.400 62.442 62.100 -0.097 0.000 1.006 214 T CB 2.083 70.853 68.868 -0.163 0.000 1.191 214 T HN 1.774 nan 8.240 nan 0.000 0.508 215 A N 0.888 123.710 122.820 0.003 0.000 2.322 215 A HA 0.429 4.748 4.320 -0.001 0.000 0.269 215 A C 1.409 179.029 177.584 0.060 0.000 1.094 215 A CA -0.365 51.690 52.037 0.030 0.000 0.807 215 A CB 0.451 19.448 19.000 -0.005 0.000 1.047 215 A HN 1.086 nan 8.150 nan 0.000 0.487 216 Q N 0.507 120.322 119.800 0.025 0.000 2.124 216 Q HA -0.230 4.109 4.340 -0.001 0.000 0.202 216 Q C 1.632 177.616 176.000 -0.026 0.000 0.977 216 Q CA 2.132 57.924 55.803 -0.018 0.000 0.850 216 Q CB -0.192 28.452 28.738 -0.156 0.000 0.901 216 Q HN 0.946 nan 8.270 nan 0.000 0.429 217 E N -0.449 119.731 120.200 -0.034 0.000 2.331 217 E HA -0.209 4.141 4.350 -0.001 0.000 0.199 217 E C 0.399 176.995 176.600 -0.006 0.000 1.008 217 E CA 1.253 57.636 56.400 -0.030 0.000 0.843 217 E CB -0.022 29.664 29.700 -0.024 0.000 0.761 217 E HN 0.422 nan 8.360 nan 0.000 0.507 218 D N 1.266 121.669 120.400 0.004 0.000 2.363 218 D HA 0.051 4.691 4.640 -0.001 0.000 0.214 218 D C -0.486 175.834 176.300 0.034 0.000 1.093 218 D CA -0.070 53.940 54.000 0.016 0.000 0.837 218 D CB 0.116 40.916 40.800 0.000 0.000 0.948 218 D HN 0.110 nan 8.370 nan 0.000 0.507 219 D N 2.069 122.497 120.400 0.048 0.000 2.455 219 D HA -0.006 4.634 4.640 -0.001 0.000 0.241 219 D C 1.021 177.434 176.300 0.187 0.000 1.138 219 D CA 0.200 54.255 54.000 0.093 0.000 0.877 219 D CB 0.848 41.732 40.800 0.140 0.000 1.187 219 D HN 0.214 nan 8.370 nan 0.000 0.451 220 R N 1.628 122.242 120.500 0.189 0.000 2.390 220 R HA 0.309 4.649 4.340 -0.001 0.000 0.291 220 R C 0.089 176.520 176.300 0.219 0.000 1.070 220 R CA -0.879 55.336 56.100 0.192 0.000 1.014 220 R CB 0.803 31.187 30.300 0.140 0.000 1.007 220 R HN 0.321 nan 8.270 nan 0.000 0.466 221 L N 4.626 125.930 121.223 0.134 0.000 2.410 221 L HA 0.048 4.387 4.340 -0.001 0.000 0.273 221 L C 0.294 177.133 176.870 -0.052 0.000 1.144 221 L CA 0.381 55.155 54.840 -0.110 0.000 0.863 221 L CB 1.545 43.544 42.059 -0.100 0.000 1.140 221 L HN 0.759 nan 8.230 nan 0.000 0.463 222 V N 6.924 126.796 119.914 -0.070 0.000 3.212 222 V HA 0.196 4.316 4.120 -0.001 0.000 0.244 222 V C 0.230 176.386 176.094 0.103 0.000 1.151 222 V CA 0.274 62.617 62.300 0.072 0.000 1.119 222 V CB 0.174 32.125 31.823 0.213 0.000 0.838 222 V HN 0.746 nan 8.190 nan 0.000 0.470 223 F N -1.424 118.422 119.950 -0.172 0.000 2.708 223 F HA 0.595 5.122 4.527 -0.001 0.000 0.309 223 F C 0.386 176.098 175.800 -0.147 0.000 1.120 223 F CA 0.341 58.249 58.000 -0.152 0.000 0.978 223 F CB 1.493 40.405 39.000 -0.147 0.000 1.283 223 F HN 0.063 nan 8.300 nan 0.000 0.439 224 G N 1.902 110.243 108.800 -0.765 0.000 2.218 224 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.216 224 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.216 224 G C 0.691 175.532 174.900 -0.099 0.000 0.994 224 G CA 0.283 45.175 45.100 -0.346 0.000 0.637 224 G HN 1.563 nan 8.290 nan 0.000 0.505 225 A N 0.417 123.156 122.820 -0.135 0.000 1.878 225 A HA 0.615 4.935 4.320 -0.001 0.000 0.213 225 A C 1.534 179.136 177.584 0.031 0.000 1.192 225 A CA 1.218 53.257 52.037 0.002 0.000 0.619 225 A CB -0.431 18.547 19.000 -0.036 0.000 0.837 225 A HN 1.507 nan 8.150 nan 0.000 0.446 226 I N -3.047 117.435 120.570 -0.146 0.000 2.779 226 I HA 0.239 4.409 4.170 -0.001 0.000 0.285 226 I C -1.989 173.809 176.117 -0.531 0.000 1.134 226 I CA -1.689 59.476 61.300 -0.225 0.000 1.398 226 I CB 0.327 38.204 38.000 -0.204 0.000 1.404 226 I HN -0.101 nan 8.210 nan 0.000 0.587 227 P HA -0.250 nan 4.420 nan 0.000 0.216 227 P C 1.397 178.337 177.300 -0.599 0.000 1.154 227 P CA 2.348 64.895 63.100 -0.922 0.000 0.865 227 P CB 0.064 31.538 31.700 -0.377 0.000 0.789 228 A N -0.912 121.703 122.820 -0.342 0.000 2.121 228 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 228 A C 1.866 179.349 177.584 -0.168 0.000 1.154 228 A CA 1.330 53.249 52.037 -0.197 0.000 0.679 228 A CB -0.890 18.036 19.000 -0.123 0.000 0.795 228 A HN 0.289 nan 8.150 nan 0.000 0.458 229 Q N -0.878 118.744 119.800 -0.297 0.000 2.219 229 Q HA 0.104 4.444 4.340 -0.001 0.000 0.209 229 Q C -0.690 175.317 176.000 0.011 0.000 0.854 229 Q CA -0.254 55.358 55.803 -0.320 0.000 0.960 229 Q CB 0.229 28.346 28.738 -1.034 0.000 1.116 229 Q HN 0.804 nan 8.270 nan 0.000 0.500 230 H N 0.707 119.714 119.070 -0.105 0.000 3.046 230 H HA 0.081 4.636 4.556 -0.001 0.000 0.303 230 H C -0.625 174.621 175.328 -0.136 0.000 1.002 230 H CA 0.107 56.122 56.048 -0.056 0.000 1.460 230 H CB 0.309 30.026 29.762 -0.076 0.000 1.493 230 H HN 0.152 nan 8.280 nan 0.000 0.559 231 H N 0.651 119.852 119.070 0.219 0.000 3.012 231 H HA 0.142 4.698 4.556 -0.001 0.000 0.367 231 H C 0.819 176.240 175.328 0.154 0.000 1.211 231 H CA -0.876 55.293 56.048 0.202 0.000 1.139 231 H CB 1.522 31.457 29.762 0.287 0.000 1.838 231 H HN 0.518 nan 8.280 nan 0.000 0.550 232 R N 0.823 121.409 120.500 0.142 0.000 2.115 232 R HA 0.021 4.360 4.340 -0.001 0.000 0.226 232 R C -0.643 175.523 176.300 -0.224 0.000 1.100 232 R CA 1.316 57.332 56.100 -0.139 0.000 0.980 232 R CB 0.324 30.343 30.300 -0.468 0.000 0.875 232 R HN 0.479 nan 8.270 nan 0.000 0.445 233 Y N -0.260 120.244 120.300 0.339 0.000 2.386 233 Y HA 0.363 4.913 4.550 -0.001 0.000 0.334 233 Y C -0.663 175.439 175.900 0.337 0.000 1.002 233 Y CA -1.457 56.858 58.100 0.360 0.000 1.068 233 Y CB 2.162 40.718 38.460 0.160 0.000 1.203 233 Y HN -0.152 nan 8.280 nan 0.000 0.443 234 V N -0.113 120.107 119.914 0.511 0.000 2.876 234 V HA 1.130 5.249 4.120 -0.001 0.000 0.312 234 V C -0.355 175.765 176.094 0.045 0.000 1.085 234 V CA -0.758 61.630 62.300 0.147 0.000 0.945 234 V CB 1.834 33.705 31.823 0.079 0.000 1.017 234 V HN 0.945 nan 8.190 nan 0.000 0.428 235 G N 1.104 109.891 108.800 -0.020 0.000 2.619 235 G HA2 0.951 4.911 3.960 -0.001 0.000 0.296 235 G HA3 0.951 4.911 3.960 -0.001 0.000 0.296 235 G C -1.027 173.831 174.900 -0.070 0.000 1.334 235 G CA -0.422 44.672 45.100 -0.009 0.000 0.934 235 G HN 1.716 nan 8.290 nan 0.000 0.476 236 A N 0.400 123.203 122.820 -0.027 0.000 2.422 236 A HA 0.919 5.238 4.320 -0.001 0.000 0.302 236 A C -0.475 177.100 177.584 -0.014 0.000 1.041 236 A CA -0.613 51.372 52.037 -0.087 0.000 0.708 236 A CB 1.944 20.875 19.000 -0.116 0.000 1.257 236 A HN 0.885 nan 8.150 nan 0.000 0.414 237 T N 1.162 115.681 114.554 -0.057 0.000 2.952 237 T HA 0.535 4.885 4.350 -0.001 0.000 0.305 237 T C -0.923 173.787 174.700 0.016 0.000 1.064 237 T CA -0.421 61.697 62.100 0.030 0.000 1.008 237 T CB 1.551 70.442 68.868 0.038 0.000 1.078 237 T HN 0.580 nan 8.240 nan 0.000 0.459 238 V N 3.474 123.457 119.914 0.115 0.000 2.435 238 V HA 0.499 4.618 4.120 -0.001 0.000 0.290 238 V C 1.023 177.216 176.094 0.164 0.000 1.030 238 V CA -0.912 61.474 62.300 0.143 0.000 0.881 238 V CB 1.611 33.593 31.823 0.266 0.000 0.983 238 V HN 1.135 nan 8.190 nan 0.000 0.445 239 T N 0.561 115.215 114.554 0.168 0.000 2.903 239 T HA 0.056 4.405 4.350 -0.001 0.000 0.314 239 T C 1.101 175.890 174.700 0.147 0.000 1.078 239 T CA 0.110 62.314 62.100 0.173 0.000 1.114 239 T CB 0.785 69.801 68.868 0.246 0.000 0.987 239 T HN 0.802 nan 8.240 nan 0.000 0.548 240 E N 0.940 121.199 120.200 0.099 0.000 2.097 240 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 240 E C 1.389 178.035 176.600 0.077 0.000 1.000 240 E CA 1.724 58.140 56.400 0.027 0.000 0.804 240 E CB -0.111 29.462 29.700 -0.211 0.000 0.740 240 E HN 0.904 nan 8.360 nan 0.000 0.454 241 D N -0.384 120.099 120.400 0.137 0.000 2.336 241 D HA -0.098 4.541 4.640 -0.001 0.000 0.229 241 D C -0.164 176.185 176.300 0.083 0.000 1.061 241 D CA 0.385 54.462 54.000 0.128 0.000 0.875 241 D CB -0.132 40.762 40.800 0.156 0.000 0.904 241 D HN 0.067 nan 8.370 nan 0.000 0.525 242 D N 0.124 120.583 120.400 0.098 0.000 2.983 242 D HA -0.215 4.424 4.640 -0.001 0.000 0.225 242 D C 1.103 177.401 176.300 -0.003 0.000 1.174 242 D CA 0.406 54.457 54.000 0.086 0.000 0.831 242 D CB -0.802 40.056 40.800 0.097 0.000 1.104 242 D HN 0.440 nan 8.370 nan 0.000 0.421 243 R N -1.163 119.292 120.500 -0.074 0.000 2.140 243 R HA 0.105 4.445 4.340 -0.001 0.000 0.213 243 R C 0.459 176.388 176.300 -0.618 0.000 1.059 243 R CA 0.766 56.639 56.100 -0.379 0.000 1.000 243 R CB 0.415 30.394 30.300 -0.536 0.000 0.910 243 R HN 0.015 nan 8.270 nan 0.000 0.455 244 F N -0.296 119.686 119.950 0.053 0.000 2.576 244 F HA 0.330 4.857 4.527 -0.001 0.000 0.313 244 F C -0.549 175.245 175.800 -0.011 0.000 1.078 244 F CA -1.293 56.721 58.000 0.022 0.000 0.921 244 F CB 1.464 40.480 39.000 0.026 0.000 1.232 244 F HN -0.257 nan 8.300 nan 0.000 0.459 245 L N 4.230 125.538 121.223 0.142 0.000 2.296 245 L HA 0.635 4.974 4.340 -0.001 0.000 0.286 245 L C -1.672 175.167 176.870 -0.051 0.000 1.023 245 L CA -0.428 54.370 54.840 -0.069 0.000 0.812 245 L CB 0.919 42.826 42.059 -0.254 0.000 1.223 245 L HN 0.390 nan 8.230 nan 0.000 0.421 246 L N 6.495 127.664 121.223 -0.091 0.000 2.313 246 L HA 0.501 4.840 4.340 -0.001 0.000 0.283 246 L C -0.625 176.154 176.870 -0.151 0.000 1.013 246 L CA -0.410 54.377 54.840 -0.088 0.000 0.816 246 L CB 1.785 43.807 42.059 -0.062 0.000 1.236 246 L HN 0.529 nan 8.230 nan 0.000 0.419 247 I N 2.739 123.211 120.570 -0.163 0.000 2.362 247 I HA 0.303 4.472 4.170 -0.001 0.000 0.289 247 I C 0.491 176.468 176.117 -0.232 0.000 0.994 247 I CA -0.330 60.812 61.300 -0.264 0.000 1.158 247 I CB 1.828 39.554 38.000 -0.455 0.000 1.315 247 I HN 0.575 nan 8.210 nan 0.000 0.451 248 S N 4.898 120.470 115.700 -0.212 0.000 2.549 248 S HA 0.938 5.408 4.470 -0.001 0.000 0.297 248 S C -0.417 174.072 174.600 -0.185 0.000 1.115 248 S CA -0.655 57.449 58.200 -0.161 0.000 1.059 248 S CB 2.552 65.699 63.200 -0.087 0.000 1.046 248 S HN 0.804 nan 8.310 nan 0.000 0.506 249 A N 1.005 123.728 122.820 -0.161 0.000 2.427 249 A HA 0.938 5.257 4.320 -0.001 0.000 0.298 249 A C -0.454 177.115 177.584 -0.025 0.000 1.036 249 A CA -0.465 51.440 52.037 -0.221 0.000 0.701 249 A CB 1.232 19.814 19.000 -0.697 0.000 1.250 249 A HN 1.892 nan 8.150 nan 0.000 0.412 250 A N 1.365 124.307 122.820 0.203 0.000 2.606 250 A HA 0.742 5.062 4.320 -0.001 0.000 0.293 250 A C -0.304 177.521 177.584 0.401 0.000 1.082 250 A CA -0.493 51.734 52.037 0.317 0.000 0.685 250 A CB 0.847 19.992 19.000 0.242 0.000 1.284 250 A HN 0.807 nan 8.150 nan 0.000 0.408 251 N N -0.723 118.173 118.700 0.327 0.000 2.257 251 N HA 0.229 4.969 4.740 -0.001 0.000 0.200 251 N C 0.317 175.980 175.510 0.256 0.000 1.163 251 N CA 0.556 53.737 53.050 0.218 0.000 0.891 251 N CB 0.870 39.455 38.487 0.163 0.000 1.067 251 N HN 0.498 nan 8.380 nan 0.000 0.497 252 S N -1.273 114.620 115.700 0.321 0.000 2.806 252 S HA 0.223 4.692 4.470 -0.001 0.000 0.306 252 S C 0.875 175.637 174.600 0.270 0.000 1.167 252 S CA -0.540 57.864 58.200 0.340 0.000 0.847 252 S CB 0.824 64.205 63.200 0.302 0.000 1.216 252 S HN 0.204 nan 8.310 nan 0.000 0.532 253 T N -0.319 114.386 114.554 0.252 0.000 3.072 253 T HA 0.235 4.584 4.350 -0.001 0.000 0.266 253 T C 0.464 175.147 174.700 -0.028 0.000 1.127 253 T CA 0.351 62.536 62.100 0.141 0.000 1.107 253 T CB -0.169 68.907 68.868 0.346 0.000 0.910 253 T HN 0.243 nan 8.240 nan 0.000 0.513 254 S N -0.045 115.515 115.700 -0.233 0.000 2.536 254 S HA 0.676 5.145 4.470 -0.001 0.000 0.287 254 S C -0.021 174.346 174.600 -0.388 0.000 1.101 254 S CA -0.243 57.674 58.200 -0.472 0.000 0.950 254 S CB 1.658 64.214 63.200 -1.074 0.000 1.056 254 S HN 1.035 nan 8.310 nan 0.000 0.481 255 G N 3.047 111.731 108.800 -0.193 0.000 3.039 255 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.686 255 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.686 255 G C -1.128 173.781 174.900 0.015 0.000 1.066 255 G CA -0.661 44.405 45.100 -0.057 0.000 0.774 255 G HN 0.975 nan 8.290 nan 0.000 0.591 256 N N 0.925 119.642 118.700 0.029 0.000 2.484 256 N HA 0.535 5.274 4.740 -0.001 0.000 0.269 256 N C -0.380 175.136 175.510 0.010 0.000 1.237 256 N CA -1.030 52.042 53.050 0.037 0.000 0.838 256 N CB 1.456 39.947 38.487 0.006 0.000 1.593 256 N HN 0.715 nan 8.380 nan 0.000 0.485 257 R N -0.052 120.442 120.500 -0.009 0.000 2.549 257 R HA 0.632 4.972 4.340 -0.001 0.000 0.267 257 R C -0.807 175.349 176.300 -0.241 0.000 1.045 257 R CA -0.812 55.222 56.100 -0.110 0.000 1.115 257 R CB 0.805 31.090 30.300 -0.025 0.000 1.121 257 R HN 0.553 nan 8.270 nan 0.000 0.543 258 L N 1.363 122.310 121.223 -0.460 0.000 2.493 258 L HA 0.418 4.757 4.340 -0.001 0.000 0.265 258 L C -1.887 174.599 176.870 -0.640 0.000 0.954 258 L CA -0.459 54.142 54.840 -0.398 0.000 0.844 258 L CB 1.706 43.654 42.059 -0.186 0.000 1.302 258 L HN 0.472 nan 8.230 nan 0.000 0.405 259 Y N 3.190 123.414 120.300 -0.127 0.000 2.536 259 Y HA 0.790 5.340 4.550 -0.001 0.000 0.347 259 Y C -0.587 175.255 175.900 -0.097 0.000 1.000 259 Y CA -0.857 57.186 58.100 -0.095 0.000 1.051 259 Y CB 2.348 40.729 38.460 -0.133 0.000 1.259 259 Y HN 0.402 nan 8.280 nan 0.000 0.468 260 V N 3.164 123.143 119.914 0.108 0.000 2.735 260 V HA 0.609 4.728 4.120 -0.001 0.000 0.310 260 V C -1.420 174.737 176.094 0.105 0.000 1.061 260 V CA -0.847 61.485 62.300 0.054 0.000 0.913 260 V CB 1.885 33.689 31.823 -0.032 0.000 1.005 260 V HN 0.780 nan 8.190 nan 0.000 0.428 261 K N 4.278 124.754 120.400 0.127 0.000 2.507 261 K HA 0.355 4.675 4.320 -0.001 0.000 0.252 261 K C -1.245 175.487 176.600 0.220 0.000 0.943 261 K CA -0.615 55.750 56.287 0.131 0.000 0.808 261 K CB 1.566 34.096 32.500 0.051 0.000 1.142 261 K HN 0.793 nan 8.250 nan 0.000 0.426 262 D N 5.196 125.728 120.400 0.220 0.000 2.339 262 D HA 0.065 4.705 4.640 -0.001 0.000 0.256 262 D C 0.801 177.094 176.300 -0.012 0.000 1.214 262 D CA -0.046 54.038 54.000 0.140 0.000 0.877 262 D CB 0.914 41.802 40.800 0.147 0.000 1.111 262 D HN 0.584 nan 8.370 nan 0.000 0.478 263 L N 2.940 124.096 121.223 -0.113 0.000 2.591 263 L HA -0.038 4.302 4.340 -0.001 0.000 0.228 263 L C 2.173 178.988 176.870 -0.092 0.000 1.133 263 L CA 0.139 54.933 54.840 -0.077 0.000 0.880 263 L CB -0.095 41.932 42.059 -0.052 0.000 1.033 263 L HN 0.344 nan 8.230 nan 0.000 0.450 264 S N -1.785 113.833 115.700 -0.137 0.000 2.501 264 S HA 0.046 4.515 4.470 -0.001 0.000 0.220 264 S C 0.826 175.395 174.600 -0.052 0.000 0.997 264 S CA -0.242 57.899 58.200 -0.098 0.000 0.919 264 S CB 0.031 63.154 63.200 -0.127 0.000 0.778 264 S HN 0.413 nan 8.310 nan 0.000 0.523 265 Q N 1.058 120.835 119.800 -0.039 0.000 2.205 265 Q HA 0.396 4.735 4.340 -0.001 0.000 0.249 265 Q C -0.835 175.161 176.000 -0.008 0.000 0.948 265 Q CA -0.458 55.338 55.803 -0.012 0.000 0.895 265 Q CB 1.043 29.784 28.738 0.005 0.000 1.249 265 Q HN 0.409 nan 8.270 nan 0.000 0.458 266 E N 1.452 121.651 120.200 -0.002 0.000 2.223 266 E HA 0.052 4.401 4.350 -0.001 0.000 0.282 266 E C -0.804 175.798 176.600 0.004 0.000 1.046 266 E CA -0.094 56.305 56.400 -0.001 0.000 0.857 266 E CB 0.178 29.878 29.700 0.000 0.000 1.055 266 E HN 0.569 nan 8.360 nan 0.000 0.409 267 N N 1.368 120.069 118.700 0.002 0.000 2.714 267 N HA -0.232 4.508 4.740 -0.001 0.000 0.253 267 N C -0.728 174.791 175.510 0.015 0.000 1.024 267 N CA 0.016 53.070 53.050 0.007 0.000 0.726 267 N CB -0.628 37.863 38.487 0.007 0.000 0.908 267 N HN 0.506 nan 8.380 nan 0.000 0.542 268 A N 0.832 123.663 122.820 0.020 0.000 2.445 268 A HA 0.438 4.758 4.320 -0.001 0.000 0.242 268 A C -1.352 176.255 177.584 0.038 0.000 1.075 268 A CA -0.649 51.408 52.037 0.033 0.000 0.777 268 A CB 0.314 19.340 19.000 0.044 0.000 1.013 268 A HN 0.224 nan 8.150 nan 0.000 0.493 269 P HA 0.343 nan 4.420 nan 0.000 0.281 269 P C -0.723 176.614 177.300 0.062 0.000 1.264 269 P CA -0.506 62.621 63.100 0.044 0.000 0.824 269 P CB 0.777 32.502 31.700 0.041 0.000 1.092 270 L N 1.359 122.618 121.223 0.060 0.000 2.367 270 L HA 0.178 4.517 4.340 -0.001 0.000 0.275 270 L C 0.253 177.203 176.870 0.134 0.000 1.129 270 L CA -0.481 54.412 54.840 0.089 0.000 0.839 270 L CB 0.166 42.252 42.059 0.046 0.000 1.133 270 L HN 0.260 nan 8.230 nan 0.000 0.453 271 L N 2.763 124.084 121.223 0.164 0.000 2.331 271 L HA 0.406 4.746 4.340 -0.001 0.000 0.275 271 L C 0.245 177.253 176.870 0.231 0.000 1.022 271 L CA -0.105 54.833 54.840 0.162 0.000 0.812 271 L CB 2.006 44.127 42.059 0.104 0.000 1.257 271 L HN 0.428 nan 8.230 nan 0.000 0.435 272 T N 1.726 116.398 114.554 0.197 0.000 2.727 272 T HA 0.256 4.606 4.350 -0.001 0.000 0.298 272 T C 1.337 176.042 174.700 0.008 0.000 0.942 272 T CA -0.440 61.716 62.100 0.093 0.000 0.997 272 T CB 0.950 69.890 68.868 0.120 0.000 0.917 272 T HN 0.336 nan 8.240 nan 0.000 0.487 273 V N 2.487 122.368 119.914 -0.055 0.000 2.407 273 V HA 0.074 4.194 4.120 -0.001 0.000 0.245 273 V C 0.991 177.170 176.094 0.143 0.000 1.041 273 V CA 1.085 63.440 62.300 0.092 0.000 1.040 273 V CB -0.219 31.629 31.823 0.041 0.000 0.671 273 V HN 0.812 nan 8.190 nan 0.000 0.455 274 Q N -0.932 118.839 119.800 -0.049 0.000 2.263 274 Q HA 0.467 4.806 4.340 -0.001 0.000 0.262 274 Q C 0.195 176.086 176.000 -0.181 0.000 0.984 274 Q CA 0.186 55.956 55.803 -0.055 0.000 0.813 274 Q CB 1.935 30.716 28.738 0.071 0.000 1.299 274 Q HN 0.309 nan 8.270 nan 0.000 0.428 275 G N 2.641 111.378 108.800 -0.105 0.000 3.126 275 G HA2 0.097 4.056 3.960 -0.001 0.000 0.224 275 G HA3 0.097 4.056 3.960 -0.001 0.000 0.224 275 G C -0.213 174.708 174.900 0.036 0.000 1.142 275 G CA 0.323 45.402 45.100 -0.035 0.000 0.759 275 G HN 0.696 nan 8.290 nan 0.000 0.550 276 D N -1.087 119.320 120.400 0.013 0.000 2.497 276 D HA 0.411 5.050 4.640 -0.001 0.000 0.243 276 D C 0.519 176.856 176.300 0.061 0.000 1.039 276 D CA -0.955 53.074 54.000 0.047 0.000 1.052 276 D CB 0.976 41.787 40.800 0.019 0.000 1.344 276 D HN -0.093 nan 8.370 nan 0.000 0.553 277 L N 0.039 121.313 121.223 0.085 0.000 2.872 277 L HA 0.247 4.586 4.340 -0.001 0.000 0.245 277 L C 0.313 177.237 176.870 0.090 0.000 1.211 277 L CA -0.139 54.759 54.840 0.098 0.000 1.013 277 L CB -0.008 42.133 42.059 0.136 0.000 1.326 277 L HN 0.332 nan 8.230 nan 0.000 0.525 278 D N 1.358 121.798 120.400 0.067 0.000 2.336 278 D HA 0.232 4.871 4.640 -0.001 0.000 0.229 278 D C 0.723 177.063 176.300 0.067 0.000 1.061 278 D CA 0.402 54.443 54.000 0.068 0.000 0.875 278 D CB 0.702 41.523 40.800 0.035 0.000 0.904 278 D HN 0.347 nan 8.370 nan 0.000 0.525 279 A N 0.182 123.038 122.820 0.060 0.000 2.586 279 A HA 0.354 4.674 4.320 -0.001 0.000 0.291 279 A C -1.687 175.925 177.584 0.047 0.000 1.062 279 A CA -0.854 51.221 52.037 0.062 0.000 0.666 279 A CB 1.308 20.357 19.000 0.082 0.000 1.281 279 A HN -0.185 nan 8.150 nan 0.000 0.421 280 D N 0.600 121.021 120.400 0.033 0.000 2.177 280 D HA 0.492 5.132 4.640 -0.001 0.000 0.247 280 D C -1.006 175.302 176.300 0.014 0.000 1.063 280 D CA 0.073 54.077 54.000 0.006 0.000 0.867 280 D CB 2.100 42.889 40.800 -0.020 0.000 1.168 280 D HN 0.645 nan 8.370 nan 0.000 0.445 281 V N 1.334 121.242 119.914 -0.010 0.000 2.711 281 V HA 0.530 4.649 4.120 -0.001 0.000 0.304 281 V C -1.225 174.810 176.094 -0.098 0.000 1.097 281 V CA -0.319 61.946 62.300 -0.059 0.000 0.906 281 V CB 1.791 33.612 31.823 -0.003 0.000 1.015 281 V HN 0.710 nan 8.190 nan 0.000 0.427 282 S N 6.094 121.716 115.700 -0.131 0.000 2.569 282 S HA 0.768 5.238 4.470 -0.001 0.000 0.280 282 S C -0.963 173.558 174.600 -0.131 0.000 1.111 282 S CA -0.798 57.334 58.200 -0.113 0.000 0.887 282 S CB 1.805 64.955 63.200 -0.084 0.000 1.095 282 S HN 1.369 nan 8.310 nan 0.000 0.476 283 L N 2.659 123.823 121.223 -0.098 0.000 2.416 283 L HA 0.478 4.817 4.340 -0.001 0.000 0.272 283 L C 0.345 177.191 176.870 -0.040 0.000 1.161 283 L CA 0.417 55.213 54.840 -0.074 0.000 0.845 283 L CB 0.782 42.817 42.059 -0.040 0.000 1.119 283 L HN 0.690 nan 8.230 nan 0.000 0.464 284 V N 2.725 122.625 119.914 -0.023 0.000 2.806 284 V HA 0.335 4.454 4.120 -0.001 0.000 0.239 284 V C 0.201 176.325 176.094 0.049 0.000 1.113 284 V CA 0.941 63.237 62.300 -0.006 0.000 1.137 284 V CB 0.093 31.890 31.823 -0.044 0.000 0.865 284 V HN 0.969 nan 8.190 nan 0.000 0.482 285 D N -1.448 119.006 120.400 0.088 0.000 2.809 285 D HA 0.211 4.851 4.640 -0.001 0.000 0.336 285 D C -1.958 174.486 176.300 0.239 0.000 1.367 285 D CA -0.455 53.642 54.000 0.161 0.000 0.815 285 D CB 0.955 41.874 40.800 0.198 0.000 1.381 285 D HN 0.278 nan 8.370 nan 0.000 0.471 286 N N 0.698 119.578 118.700 0.301 0.000 2.357 286 N HA 0.424 5.164 4.740 -0.001 0.000 0.284 286 N C -1.403 174.302 175.510 0.326 0.000 1.236 286 N CA -0.678 52.596 53.050 0.372 0.000 0.774 286 N CB 2.481 41.201 38.487 0.387 0.000 1.534 286 N HN 0.200 nan 8.380 nan 0.000 0.478 287 K N 0.865 121.490 120.400 0.376 0.000 2.656 287 K HA 0.384 4.704 4.320 -0.001 0.000 0.241 287 K C 0.337 177.073 176.600 0.226 0.000 0.967 287 K CA 0.408 56.828 56.287 0.221 0.000 0.946 287 K CB 0.382 33.065 32.500 0.305 0.000 1.164 287 K HN 1.028 nan 8.250 nan 0.000 0.459 288 G N 2.429 111.332 108.800 0.170 0.000 2.531 288 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.274 288 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.274 288 G C 0.368 175.448 174.900 0.300 0.000 1.159 288 G CA 0.556 45.756 45.100 0.167 0.000 0.969 288 G HN 0.738 nan 8.290 nan 0.000 0.554 289 S N -0.559 115.299 115.700 0.262 0.000 2.605 289 S HA 0.443 4.913 4.470 -0.001 0.000 0.217 289 S C 0.704 175.386 174.600 0.136 0.000 0.958 289 S CA 1.176 59.584 58.200 0.347 0.000 0.919 289 S CB 0.280 63.629 63.200 0.248 0.000 0.780 289 S HN 0.947 nan 8.310 nan 0.000 0.507 290 T N 3.445 118.078 114.554 0.132 0.000 2.771 290 T HA 0.482 4.831 4.350 -0.001 0.000 0.291 290 T C -0.223 174.489 174.700 0.020 0.000 0.954 290 T CA -0.438 61.675 62.100 0.021 0.000 1.045 290 T CB 0.757 69.647 68.868 0.037 0.000 0.917 290 T HN 0.288 nan 8.240 nan 0.000 0.484 291 L N 3.670 124.795 121.223 -0.163 0.000 2.312 291 L HA 0.466 4.805 4.340 -0.001 0.000 0.281 291 L C -0.701 176.043 176.870 -0.210 0.000 1.070 291 L CA -0.925 53.829 54.840 -0.145 0.000 0.805 291 L CB 0.676 42.566 42.059 -0.282 0.000 1.174 291 L HN 0.651 nan 8.230 nan 0.000 0.434 292 Y N 3.806 124.012 120.300 -0.157 0.000 2.328 292 Y HA 0.584 5.133 4.550 -0.001 0.000 0.337 292 Y C -0.238 175.516 175.900 -0.242 0.000 0.966 292 Y CA -0.609 57.373 58.100 -0.195 0.000 1.136 292 Y CB 1.435 39.793 38.460 -0.171 0.000 1.170 292 Y HN 0.332 nan 8.280 nan 0.000 0.470 293 L N 4.718 125.789 121.223 -0.253 0.000 2.381 293 L HA 0.504 4.843 4.340 -0.001 0.000 0.268 293 L C -1.199 175.489 176.870 -0.304 0.000 0.997 293 L CA -1.079 53.569 54.840 -0.321 0.000 0.818 293 L CB 2.099 43.823 42.059 -0.558 0.000 1.310 293 L HN 0.450 nan 8.230 nan 0.000 0.416 294 L N 1.947 123.029 121.223 -0.235 0.000 2.275 294 L HA 0.765 5.104 4.340 -0.001 0.000 0.288 294 L C -0.183 176.578 176.870 -0.181 0.000 1.046 294 L CA 0.646 55.369 54.840 -0.196 0.000 0.805 294 L CB 1.564 43.523 42.059 -0.166 0.000 1.193 294 L HN 0.690 nan 8.230 nan 0.000 0.426 295 T N 2.414 116.885 114.554 -0.139 0.000 2.889 295 T HA 0.366 4.715 4.350 -0.001 0.000 0.315 295 T C -0.013 174.688 174.700 0.002 0.000 1.291 295 T CA -0.387 61.676 62.100 -0.062 0.000 1.028 295 T CB 1.024 69.867 68.868 -0.043 0.000 1.235 295 T HN 0.758 nan 8.240 nan 0.000 0.491 296 N N 2.125 120.848 118.700 0.038 0.000 2.214 296 N HA 0.099 4.838 4.740 -0.001 0.000 0.214 296 N C 0.358 175.915 175.510 0.079 0.000 1.132 296 N CA -0.433 52.647 53.050 0.051 0.000 0.856 296 N CB -0.028 38.489 38.487 0.049 0.000 1.020 296 N HN 0.496 nan 8.380 nan 0.000 0.509 297 R N 1.455 122.031 120.500 0.125 0.000 2.421 297 R HA -0.003 4.336 4.340 -0.001 0.000 0.305 297 R C -0.529 175.827 176.300 0.093 0.000 1.039 297 R CA 0.237 56.412 56.100 0.126 0.000 1.003 297 R CB -0.086 30.342 30.300 0.214 0.000 0.959 297 R HN 0.126 nan 8.270 nan 0.000 0.427 298 D N 1.684 122.113 120.400 0.048 0.000 2.837 298 D HA -0.229 4.411 4.640 -0.001 0.000 0.230 298 D C -1.115 175.210 176.300 0.040 0.000 1.152 298 D CA 1.579 55.597 54.000 0.031 0.000 0.736 298 D CB -0.870 39.939 40.800 0.016 0.000 1.084 298 D HN 0.630 nan 8.370 nan 0.000 0.429 299 A N -1.014 121.835 122.820 0.049 0.000 2.771 299 A HA 0.502 4.822 4.320 -0.001 0.000 0.301 299 A C -2.102 175.512 177.584 0.051 0.000 1.194 299 A CA -0.870 51.194 52.037 0.045 0.000 0.837 299 A CB 1.200 20.225 19.000 0.042 0.000 1.438 299 A HN -0.186 nan 8.150 nan 0.000 0.436 300 P HA -0.145 nan 4.420 nan 0.000 0.217 300 P C 0.870 178.216 177.300 0.076 0.000 1.148 300 P CA 1.384 64.528 63.100 0.074 0.000 0.828 300 P CB 0.264 32.011 31.700 0.078 0.000 0.783 301 N N -1.265 117.474 118.700 0.064 0.000 2.270 301 N HA 0.107 4.846 4.740 -0.001 0.000 0.198 301 N C -0.277 175.257 175.510 0.040 0.000 1.117 301 N CA 0.067 53.154 53.050 0.061 0.000 0.845 301 N CB 0.012 38.542 38.487 0.072 0.000 0.980 301 N HN 0.074 nan 8.380 nan 0.000 0.486 302 R N 0.186 120.703 120.500 0.028 0.000 1.403 302 R HA -0.196 4.144 4.340 -0.001 0.000 0.455 302 R C -0.321 175.971 176.300 -0.014 0.000 1.336 302 R CA 0.625 56.724 56.100 -0.003 0.000 1.354 302 R CB -0.352 29.927 30.300 -0.036 0.000 3.536 302 R HN 0.442 nan 8.270 nan 0.000 0.519 303 R N 0.152 120.627 120.500 -0.042 0.000 2.781 303 R HA 0.738 5.077 4.340 -0.001 0.000 0.269 303 R C -1.656 174.571 176.300 -0.121 0.000 1.025 303 R CA -1.191 54.870 56.100 -0.064 0.000 0.914 303 R CB 1.105 31.386 30.300 -0.030 0.000 1.236 303 R HN 0.304 nan 8.270 nan 0.000 0.465 304 L N 2.023 123.153 121.223 -0.155 0.000 2.305 304 L HA 0.558 4.898 4.340 -0.001 0.000 0.284 304 L C -0.743 176.007 176.870 -0.200 0.000 1.013 304 L CA -0.559 54.164 54.840 -0.195 0.000 0.819 304 L CB 1.820 43.749 42.059 -0.216 0.000 1.227 304 L HN 0.643 nan 8.230 nan 0.000 0.417 305 V N 1.398 121.155 119.914 -0.261 0.000 3.019 305 V HA 0.955 5.075 4.120 -0.001 0.000 0.317 305 V C -0.141 175.713 176.094 -0.400 0.000 1.094 305 V CA -0.052 62.081 62.300 -0.279 0.000 1.000 305 V CB 1.748 33.413 31.823 -0.263 0.000 1.060 305 V HN 0.874 nan 8.190 nan 0.000 0.443 306 T N -0.449 113.882 114.554 -0.372 0.000 2.916 306 T HA 0.855 5.204 4.350 -0.001 0.000 0.292 306 T C -0.788 173.742 174.700 -0.284 0.000 1.055 306 T CA -0.687 61.124 62.100 -0.482 0.000 1.009 306 T CB 1.681 70.198 68.868 -0.584 0.000 1.118 306 T HN 1.725 nan 8.240 nan 0.000 0.497 307 V N 0.497 120.256 119.914 -0.257 0.000 3.167 307 V HA 0.453 4.573 4.120 -0.001 0.000 0.293 307 V C -1.790 174.241 176.094 -0.105 0.000 1.379 307 V CA -0.910 61.339 62.300 -0.086 0.000 1.019 307 V CB 2.316 34.174 31.823 0.058 0.000 1.115 307 V HN 1.238 nan 8.190 nan 0.000 0.442 308 D N 3.665 124.034 120.400 -0.051 0.000 2.351 308 D HA 0.547 5.187 4.640 -0.001 0.000 0.251 308 D C 1.149 177.402 176.300 -0.077 0.000 1.137 308 D CA 0.616 54.581 54.000 -0.057 0.000 0.879 308 D CB 2.015 42.797 40.800 -0.030 0.000 1.181 308 D HN 0.853 nan 8.370 nan 0.000 0.448 309 A N 3.691 126.424 122.820 -0.145 0.000 2.084 309 A HA -0.115 4.205 4.320 -0.001 0.000 0.221 309 A C 1.955 179.511 177.584 -0.047 0.000 1.161 309 A CA 1.702 53.609 52.037 -0.216 0.000 0.653 309 A CB -0.577 18.081 19.000 -0.569 0.000 0.802 309 A HN 0.657 nan 8.150 nan 0.000 0.457 310 A N -1.522 121.300 122.820 0.003 0.000 2.251 310 A HA 0.240 4.559 4.320 -0.001 0.000 0.209 310 A C 0.774 178.353 177.584 -0.009 0.000 1.187 310 A CA 0.852 52.903 52.037 0.024 0.000 0.823 310 A CB -0.203 18.817 19.000 0.035 0.000 0.846 310 A HN 0.440 nan 8.150 nan 0.000 0.486 311 N N -0.981 117.699 118.700 -0.033 0.000 2.926 311 N HA 0.102 4.842 4.740 -0.001 0.000 0.201 311 N C -2.853 172.653 175.510 -0.006 0.000 1.419 311 N CA -0.620 52.386 53.050 -0.073 0.000 0.838 311 N CB 0.925 39.280 38.487 -0.220 0.000 1.534 311 N HN -0.007 nan 8.380 nan 0.000 0.569 312 P HA 0.217 nan 4.420 nan 0.000 0.256 312 P C 0.753 178.257 177.300 0.341 0.000 1.384 312 P CA 0.070 63.283 63.100 0.188 0.000 0.879 312 P CB -0.172 31.577 31.700 0.082 0.000 1.403 313 G N 2.207 111.162 108.800 0.257 0.000 2.554 313 G HA2 0.088 4.048 3.960 -0.001 0.000 0.238 313 G HA3 0.088 4.048 3.960 -0.001 0.000 0.238 313 G C -1.564 173.109 174.900 -0.378 0.000 1.259 313 G CA -0.896 44.230 45.100 0.043 0.000 0.843 313 G HN -0.003 nan 8.290 nan 0.000 0.582 314 P HA -0.182 nan 4.420 nan 0.000 0.217 314 P C 1.995 178.682 177.300 -1.022 0.000 1.151 314 P CA 2.080 64.102 63.100 -1.797 0.000 0.849 314 P CB 0.199 31.147 31.700 -1.253 0.000 0.787 315 A N -1.403 121.003 122.820 -0.690 0.000 2.121 315 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 315 A C 1.310 178.565 177.584 -0.549 0.000 1.154 315 A CA 1.394 53.082 52.037 -0.582 0.000 0.679 315 A CB -1.430 17.211 19.000 -0.598 0.000 0.795 315 A HN 0.357 nan 8.150 nan 0.000 0.458 316 H N -3.380 115.613 119.070 -0.130 0.000 2.652 316 H HA 0.106 4.661 4.556 -0.001 0.000 0.274 316 H C -0.373 175.047 175.328 0.152 0.000 1.021 316 H CA -0.645 55.410 56.048 0.013 0.000 1.187 316 H CB 0.145 29.925 29.762 0.032 0.000 1.505 316 H HN 0.525 nan 8.280 nan 0.000 0.530 317 W N 2.448 123.742 121.300 -0.011 0.000 2.223 317 W HA 0.231 4.891 4.660 -0.001 0.000 0.334 317 W C 0.737 177.223 176.519 -0.056 0.000 1.334 317 W CA -0.555 56.761 57.345 -0.049 0.000 1.246 317 W CB -0.020 29.397 29.460 -0.070 0.000 1.184 317 W HN 0.101 nan 8.180 nan 0.000 0.563 318 R N 2.411 122.987 120.500 0.128 0.000 2.561 318 R HA 0.235 4.574 4.340 -0.001 0.000 0.297 318 R C -0.829 175.458 176.300 -0.022 0.000 0.969 318 R CA -0.729 55.396 56.100 0.042 0.000 0.879 318 R CB 1.005 31.312 30.300 0.012 0.000 1.178 318 R HN 0.249 nan 8.270 nan 0.000 0.445 319 D N 3.798 124.189 120.400 -0.015 0.000 2.458 319 D HA -0.002 4.637 4.640 -0.001 0.000 0.243 319 D C 0.502 176.753 176.300 -0.081 0.000 1.146 319 D CA 0.233 54.203 54.000 -0.049 0.000 0.877 319 D CB 1.393 42.176 40.800 -0.028 0.000 1.176 319 D HN 0.409 nan 8.370 nan 0.000 0.461 320 L N 2.788 123.936 121.223 -0.126 0.000 2.433 320 L HA 0.320 4.659 4.340 -0.001 0.000 0.200 320 L C 0.316 177.079 176.870 -0.178 0.000 1.059 320 L CA 0.652 55.411 54.840 -0.134 0.000 0.835 320 L CB 0.487 42.451 42.059 -0.159 0.000 1.076 320 L HN 0.353 nan 8.230 nan 0.000 0.481 321 I N 1.320 121.757 120.570 -0.222 0.000 2.495 321 I HA 0.312 4.481 4.170 -0.001 0.000 0.277 321 I C -2.295 173.738 176.117 -0.141 0.000 1.045 321 I CA -1.868 59.261 61.300 -0.285 0.000 1.135 321 I CB 1.285 39.006 38.000 -0.465 0.000 1.241 321 I HN 0.002 nan 8.210 nan 0.000 0.469 322 P HA -0.035 nan 4.420 nan 0.000 0.269 322 P C -0.084 177.216 177.300 -0.001 0.000 1.211 322 P CA -0.083 62.999 63.100 -0.029 0.000 0.781 322 P CB 0.623 32.315 31.700 -0.014 0.000 0.877 323 E N 2.046 122.252 120.200 0.010 0.000 2.398 323 E HA 0.020 4.370 4.350 -0.001 0.000 0.263 323 E C -0.065 176.555 176.600 0.032 0.000 1.046 323 E CA -0.035 56.385 56.400 0.033 0.000 0.908 323 E CB 0.402 30.119 29.700 0.028 0.000 0.963 323 E HN 0.274 nan 8.360 nan 0.000 0.431 324 R N 2.300 122.831 120.500 0.050 0.000 3.018 324 R HA 0.202 4.542 4.340 -0.001 0.000 0.243 324 R C 0.764 177.068 176.300 0.007 0.000 1.315 324 R CA -0.883 55.214 56.100 -0.006 0.000 1.039 324 R CB 0.057 30.297 30.300 -0.100 0.000 1.315 324 R HN 0.490 nan 8.270 nan 0.000 0.492 325 Q N 0.601 120.387 119.800 -0.023 0.000 2.369 325 Q HA -0.004 4.336 4.340 -0.001 0.000 0.206 325 Q C -0.185 175.834 176.000 0.032 0.000 0.963 325 Q CA 1.278 57.082 55.803 0.002 0.000 0.894 325 Q CB 0.187 28.915 28.738 -0.017 0.000 0.965 325 Q HN 0.362 nan 8.270 nan 0.000 0.475 326 Q N -0.894 118.922 119.800 0.027 0.000 2.301 326 Q HA 0.377 4.716 4.340 -0.001 0.000 0.267 326 Q C -0.716 175.380 176.000 0.159 0.000 1.035 326 Q CA -0.523 55.327 55.803 0.077 0.000 0.856 326 Q CB 2.071 30.847 28.738 0.064 0.000 1.337 326 Q HN -0.156 nan 8.270 nan 0.000 0.450 327 V N 2.288 122.256 119.914 0.089 0.000 2.585 327 V HA 0.049 4.168 4.120 -0.001 0.000 0.296 327 V C -0.308 175.810 176.094 0.040 0.000 1.035 327 V CA -0.131 62.199 62.300 0.049 0.000 1.084 327 V CB 0.271 32.076 31.823 -0.029 0.000 0.953 327 V HN 0.580 nan 8.190 nan 0.000 0.483 328 L N 5.957 127.155 121.223 -0.043 0.000 2.309 328 L HA 0.726 5.065 4.340 -0.001 0.000 0.282 328 L C 0.050 176.762 176.870 -0.263 0.000 1.036 328 L CA 0.746 55.424 54.840 -0.270 0.000 0.806 328 L CB 1.952 43.866 42.059 -0.242 0.000 1.220 328 L HN 0.729 nan 8.230 nan 0.000 0.429 329 T N 3.935 118.279 114.554 -0.350 0.000 2.886 329 T HA 0.660 5.010 4.350 -0.001 0.000 0.292 329 T C -1.208 173.253 174.700 -0.397 0.000 1.012 329 T CA -0.455 61.454 62.100 -0.318 0.000 0.982 329 T CB 1.798 70.509 68.868 -0.262 0.000 1.018 329 T HN 0.367 nan 8.240 nan 0.000 0.451 330 V N 4.253 123.922 119.914 -0.407 0.000 2.531 330 V HA 0.461 4.580 4.120 -0.001 0.000 0.301 330 V C -0.674 175.208 176.094 -0.354 0.000 1.034 330 V CA -0.876 61.220 62.300 -0.340 0.000 0.865 330 V CB 1.485 33.161 31.823 -0.244 0.000 0.995 330 V HN 0.853 nan 8.190 nan 0.000 0.424 331 H N 2.089 121.186 119.070 0.044 0.000 2.573 331 H HA 0.731 5.287 4.556 -0.001 0.000 0.351 331 H C -0.133 175.334 175.328 0.231 0.000 1.163 331 H CA -0.471 55.656 56.048 0.130 0.000 1.205 331 H CB 2.366 32.231 29.762 0.172 0.000 1.605 331 H HN 0.700 nan 8.280 nan 0.000 0.525 332 S N 0.539 116.460 115.700 0.369 0.000 2.542 332 S HA 0.828 5.297 4.470 -0.001 0.000 0.293 332 S C -0.041 174.832 174.600 0.455 0.000 1.089 332 S CA -0.643 57.788 58.200 0.386 0.000 0.961 332 S CB 2.531 65.882 63.200 0.253 0.000 1.062 332 S HN 0.974 nan 8.310 nan 0.000 0.483 333 G N -0.117 109.025 108.800 0.571 0.000 2.633 333 G HA2 0.487 4.446 3.960 -0.001 0.000 0.299 333 G HA3 0.487 4.446 3.960 -0.001 0.000 0.299 333 G C -0.172 175.056 174.900 0.546 0.000 1.501 333 G CA -0.192 45.199 45.100 0.485 0.000 0.887 333 G HN 1.566 nan 8.290 nan 0.000 0.561 334 S N -0.903 115.014 115.700 0.362 0.000 3.445 334 S HA -0.072 4.397 4.470 -0.001 0.000 0.319 334 S C 1.981 176.637 174.600 0.093 0.000 1.209 334 S CA 2.369 60.739 58.200 0.284 0.000 0.934 334 S CB -1.282 62.165 63.200 0.411 0.000 0.999 334 S HN 2.918 nan 8.310 nan 0.000 0.582 335 G N -1.459 107.376 108.800 0.058 0.000 2.132 335 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.234 335 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.234 335 G C -0.286 174.444 174.900 -0.284 0.000 0.989 335 G CA 0.390 45.313 45.100 -0.294 0.000 0.676 335 G HN 0.700 nan 8.290 nan 0.000 0.522 336 Y N -1.193 119.329 120.300 0.370 0.000 2.602 336 Y HA 0.765 5.314 4.550 -0.001 0.000 0.342 336 Y C 0.455 176.386 175.900 0.051 0.000 1.029 336 Y CA -1.286 56.917 58.100 0.172 0.000 1.080 336 Y CB 1.528 39.931 38.460 -0.096 0.000 1.284 336 Y HN 0.086 nan 8.280 nan 0.000 0.485 337 L N 2.205 123.385 121.223 -0.071 0.000 2.322 337 L HA 0.507 4.847 4.340 -0.001 0.000 0.281 337 L C -1.480 175.188 176.870 -0.338 0.000 1.014 337 L CA -0.510 54.232 54.840 -0.164 0.000 0.815 337 L CB 1.140 43.046 42.059 -0.254 0.000 1.247 337 L HN 0.464 nan 8.230 nan 0.000 0.421 338 F N 2.079 122.060 119.950 0.050 0.000 2.347 338 F HA 0.508 5.035 4.527 -0.001 0.000 0.366 338 F C 0.529 176.249 175.800 -0.134 0.000 1.107 338 F CA -0.614 57.342 58.000 -0.072 0.000 1.058 338 F CB 1.578 40.456 39.000 -0.204 0.000 1.236 338 F HN 0.430 nan 8.300 nan 0.000 0.456 339 A N 3.485 126.294 122.820 -0.018 0.000 2.310 339 A HA 0.340 4.660 4.320 -0.001 0.000 0.300 339 A C -0.045 177.358 177.584 -0.302 0.000 1.269 339 A CA -0.425 51.478 52.037 -0.224 0.000 0.909 339 A CB 0.160 19.046 19.000 -0.190 0.000 1.144 339 A HN 0.743 nan 8.150 nan 0.000 0.540 340 E N 2.849 122.835 120.200 -0.356 0.000 2.174 340 E HA 0.459 4.808 4.350 -0.001 0.000 0.282 340 E C -1.589 174.787 176.600 -0.374 0.000 0.992 340 E CA -0.298 55.955 56.400 -0.245 0.000 0.803 340 E CB 0.625 30.270 29.700 -0.092 0.000 1.090 340 E HN 0.623 nan 8.360 nan 0.000 0.396 341 Y N 2.702 122.975 120.300 -0.046 0.000 2.446 341 Y HA 0.324 4.873 4.550 -0.001 0.000 0.338 341 Y C 0.254 176.124 175.900 -0.050 0.000 1.055 341 Y CA -0.844 57.228 58.100 -0.046 0.000 1.101 341 Y CB 1.828 40.269 38.460 -0.032 0.000 1.221 341 Y HN 0.486 nan 8.280 nan 0.000 0.460 342 M N 3.317 122.980 119.600 0.105 0.000 2.088 342 M HA 0.499 4.978 4.480 -0.001 0.000 0.346 342 M C -1.756 174.536 176.300 -0.014 0.000 1.111 342 M CA -0.571 54.729 55.300 -0.001 0.000 1.017 342 M CB 0.318 32.866 32.600 -0.086 0.000 1.568 342 M HN 0.411 nan 8.290 nan 0.000 0.445 343 V N 5.795 125.710 119.914 0.001 0.000 2.294 343 V HA 0.213 4.333 4.120 -0.001 0.000 0.272 343 V C -0.373 175.732 176.094 0.018 0.000 1.027 343 V CA -0.512 61.798 62.300 0.018 0.000 0.823 343 V CB 0.951 32.798 31.823 0.040 0.000 1.030 343 V HN 0.945 nan 8.190 nan 0.000 0.457 344 D N 5.161 125.562 120.400 0.003 0.000 2.735 344 D HA -0.282 4.357 4.640 -0.001 0.000 0.235 344 D C 1.197 177.470 176.300 -0.046 0.000 1.175 344 D CA 1.129 55.159 54.000 0.051 0.000 0.683 344 D CB -0.654 40.321 40.800 0.292 0.000 1.008 344 D HN 1.348 nan 8.370 nan 0.000 0.416 345 A N -1.666 121.054 122.820 -0.167 0.000 3.413 345 A HA -0.273 4.046 4.320 -0.001 0.000 0.268 345 A C 0.969 178.527 177.584 -0.043 0.000 1.128 345 A CA 2.336 54.305 52.037 -0.113 0.000 1.062 345 A CB -2.190 16.767 19.000 -0.071 0.000 1.121 345 A HN 1.085 nan 8.150 nan 0.000 0.895 346 T N -2.425 112.123 114.554 -0.011 0.000 2.918 346 T HA 0.849 5.199 4.350 -0.001 0.000 0.286 346 T C 0.021 174.741 174.700 0.033 0.000 1.026 346 T CA 0.100 62.214 62.100 0.025 0.000 1.031 346 T CB 1.873 70.778 68.868 0.063 0.000 1.046 346 T HN 1.961 nan 8.240 nan 0.000 0.479 347 A N 2.568 125.422 122.820 0.057 0.000 2.302 347 A HA 0.809 5.129 4.320 -0.001 0.000 0.285 347 A C 0.093 177.712 177.584 0.057 0.000 1.105 347 A CA -0.852 51.219 52.037 0.057 0.000 0.816 347 A CB 0.401 19.439 19.000 0.063 0.000 1.067 347 A HN 0.774 nan 8.150 nan 0.000 0.489 348 R N 0.291 120.818 120.500 0.046 0.000 2.698 348 R HA 0.624 4.963 4.340 -0.001 0.000 0.275 348 R C -1.848 174.454 176.300 0.004 0.000 1.001 348 R CA -0.607 55.511 56.100 0.031 0.000 0.896 348 R CB 1.802 32.145 30.300 0.072 0.000 1.218 348 R HN 0.472 nan 8.270 nan 0.000 0.462 349 V N 1.840 121.705 119.914 -0.081 0.000 2.709 349 V HA 0.470 4.590 4.120 -0.001 0.000 0.308 349 V C -0.395 175.623 176.094 -0.127 0.000 1.062 349 V CA -0.789 61.400 62.300 -0.185 0.000 0.901 349 V CB 2.567 34.079 31.823 -0.519 0.000 1.003 349 V HN 0.639 nan 8.190 nan 0.000 0.425 350 E N 2.474 122.647 120.200 -0.045 0.000 2.288 350 E HA 0.493 4.843 4.350 -0.001 0.000 0.268 350 E C -1.224 175.313 176.600 -0.106 0.000 0.885 350 E CA -0.734 55.641 56.400 -0.042 0.000 0.767 350 E CB 3.012 32.802 29.700 0.150 0.000 1.220 350 E HN 0.670 nan 8.360 nan 0.000 0.427 351 Q N 3.019 122.640 119.800 -0.299 0.000 2.322 351 Q HA 0.432 4.772 4.340 -0.001 0.000 0.265 351 Q C -1.654 174.047 176.000 -0.497 0.000 0.985 351 Q CA -0.405 55.138 55.803 -0.433 0.000 0.849 351 Q CB 0.736 29.250 28.738 -0.373 0.000 1.274 351 Q HN 0.401 nan 8.270 nan 0.000 0.449 352 F N 1.703 121.485 119.950 -0.280 0.000 2.579 352 F HA 0.337 4.863 4.527 -0.001 0.000 0.324 352 F C -0.009 175.795 175.800 0.006 0.000 1.058 352 F CA -0.779 57.155 58.000 -0.109 0.000 0.944 352 F CB 1.582 40.524 39.000 -0.097 0.000 1.245 352 F HN 0.640 nan 8.300 nan 0.000 0.477 353 D N -0.675 119.905 120.400 0.300 0.000 2.387 353 D HA 0.138 4.778 4.640 -0.001 0.000 0.255 353 D C 0.194 176.659 176.300 0.275 0.000 1.081 353 D CA -0.467 53.736 54.000 0.337 0.000 0.994 353 D CB 0.364 41.333 40.800 0.282 0.000 1.127 353 D HN 0.420 nan 8.370 nan 0.000 0.513 354 Y N -0.778 119.539 120.300 0.028 0.000 2.651 354 Y HA -0.006 4.543 4.550 -0.001 0.000 0.296 354 Y C 1.308 177.319 175.900 0.184 0.000 1.150 354 Y CA 0.839 58.956 58.100 0.028 0.000 1.348 354 Y CB -0.259 38.120 38.460 -0.135 0.000 0.983 354 Y HN 0.442 nan 8.280 nan 0.000 0.555 355 E N -1.272 119.084 120.200 0.259 0.000 2.479 355 E HA 0.210 4.560 4.350 -0.001 0.000 0.193 355 E C 1.834 178.529 176.600 0.158 0.000 1.049 355 E CA 0.617 57.132 56.400 0.191 0.000 0.870 355 E CB 0.068 29.853 29.700 0.142 0.000 0.944 355 E HN 0.313 nan 8.360 nan 0.000 0.492 356 G N 0.916 109.825 108.800 0.182 0.000 2.176 356 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.253 356 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.253 356 G C 0.039 175.127 174.900 0.314 0.000 0.979 356 G CA -0.004 45.201 45.100 0.174 0.000 0.641 356 G HN 0.209 nan 8.290 nan 0.000 0.530 357 K N 0.375 120.929 120.400 0.256 0.000 2.249 357 K HA 0.397 4.716 4.320 -0.001 0.000 0.280 357 K C 0.548 177.219 176.600 0.118 0.000 1.033 357 K CA -0.668 55.730 56.287 0.184 0.000 0.946 357 K CB 1.226 33.791 32.500 0.107 0.000 1.005 357 K HN 0.250 nan 8.250 nan 0.000 0.469 358 R N 2.729 123.185 120.500 -0.074 0.000 2.248 358 R HA 0.050 4.390 4.340 -0.001 0.000 0.328 358 R C 0.617 176.721 176.300 -0.326 0.000 1.067 358 R CA -0.183 55.580 56.100 -0.561 0.000 0.924 358 R CB 0.501 30.457 30.300 -0.574 0.000 1.013 358 R HN 0.487 nan 8.270 nan 0.000 0.454 359 V N 5.186 124.892 119.914 -0.346 0.000 2.446 359 V HA 0.021 4.141 4.120 -0.001 0.000 0.244 359 V C 0.682 176.658 176.094 -0.196 0.000 1.039 359 V CA 1.471 63.647 62.300 -0.207 0.000 1.045 359 V CB -0.683 31.012 31.823 -0.214 0.000 0.681 359 V HN 0.912 nan 8.190 nan 0.000 0.459 360 R N 0.189 120.538 120.500 -0.252 0.000 2.829 360 R HA 0.391 4.731 4.340 -0.001 0.000 0.283 360 R C -1.399 174.798 176.300 -0.173 0.000 1.013 360 R CA -0.801 55.200 56.100 -0.164 0.000 0.848 360 R CB 1.201 31.459 30.300 -0.071 0.000 1.291 360 R HN 0.064 nan 8.270 nan 0.000 0.496 361 E N 1.218 121.350 120.200 -0.112 0.000 2.227 361 E HA 0.366 4.715 4.350 -0.001 0.000 0.282 361 E C -1.179 175.383 176.600 -0.063 0.000 1.015 361 E CA -0.706 55.638 56.400 -0.093 0.000 0.823 361 E CB 1.887 31.545 29.700 -0.070 0.000 1.081 361 E HN 0.454 nan 8.360 nan 0.000 0.396 362 V N 4.275 124.131 119.914 -0.096 0.000 2.348 362 V HA 0.478 4.598 4.120 -0.001 0.000 0.270 362 V C 0.245 176.280 176.094 -0.098 0.000 1.037 362 V CA -0.457 61.788 62.300 -0.091 0.000 0.872 362 V CB 0.720 32.382 31.823 -0.268 0.000 1.002 362 V HN 0.883 nan 8.190 nan 0.000 0.464 363 A N 7.230 130.026 122.820 -0.038 0.000 2.484 363 A HA 0.480 4.800 4.320 -0.001 0.000 0.268 363 A C -0.104 177.417 177.584 -0.106 0.000 1.114 363 A CA 0.015 52.017 52.037 -0.057 0.000 0.780 363 A CB -0.255 18.731 19.000 -0.024 0.000 1.061 363 A HN 0.816 nan 8.150 nan 0.000 0.505 364 L N 3.854 124.983 121.223 -0.155 0.000 2.357 364 L HA 0.305 4.644 4.340 -0.001 0.000 0.273 364 L C -1.315 175.346 176.870 -0.349 0.000 1.080 364 L CA -1.855 52.837 54.840 -0.245 0.000 0.803 364 L CB 1.219 43.162 42.059 -0.193 0.000 1.174 364 L HN 0.501 nan 8.230 nan 0.000 0.443 365 P HA -0.012 nan 4.420 nan 0.000 0.234 365 P C 0.331 177.227 177.300 -0.674 0.000 1.162 365 P CA 0.484 63.191 63.100 -0.655 0.000 0.759 365 P CB 0.124 31.333 31.700 -0.818 0.000 0.813 366 G N -1.769 106.672 108.800 -0.598 0.000 2.356 366 G HA2 0.081 4.041 3.960 -0.001 0.000 0.266 366 G HA3 0.081 4.041 3.960 -0.001 0.000 0.266 366 G C -1.921 173.035 174.900 0.093 0.000 1.312 366 G CA -0.947 44.033 45.100 -0.200 0.000 0.922 366 G HN 0.005 nan 8.290 nan 0.000 0.480 367 L N 1.724 123.119 121.223 0.286 0.000 2.262 367 L HA 0.689 5.029 4.340 -0.001 0.000 0.288 367 L C 0.952 178.019 176.870 0.328 0.000 1.035 367 L CA 0.457 55.462 54.840 0.274 0.000 0.820 367 L CB 0.554 42.711 42.059 0.163 0.000 1.204 367 L HN 1.310 nan 8.230 nan 0.000 0.424 368 G N 1.639 110.607 108.800 0.280 0.000 2.512 368 G HA2 0.299 4.258 3.960 -0.001 0.000 0.186 368 G HA3 0.299 4.258 3.960 -0.001 0.000 0.186 368 G C -1.500 173.354 174.900 -0.077 0.000 1.189 368 G CA -0.321 44.745 45.100 -0.057 0.000 0.994 368 G HN 0.326 nan 8.290 nan 0.000 0.506 369 S N -0.266 115.277 115.700 -0.262 0.000 2.482 369 S HA 0.704 5.174 4.470 -0.001 0.000 0.303 369 S C -0.199 174.375 174.600 -0.044 0.000 1.091 369 S CA -0.348 57.778 58.200 -0.123 0.000 1.057 369 S CB 1.581 64.687 63.200 -0.157 0.000 1.031 369 S HN 1.518 nan 8.310 nan 0.000 0.485 370 V N 0.804 120.767 119.914 0.082 0.000 2.628 370 V HA 0.972 5.091 4.120 -0.001 0.000 0.306 370 V C -0.206 175.967 176.094 0.132 0.000 1.045 370 V CA -0.763 61.645 62.300 0.180 0.000 0.905 370 V CB 1.374 33.313 31.823 0.194 0.000 0.997 370 V HN 0.887 nan 8.190 nan 0.000 0.436 371 S N 2.262 118.051 115.700 0.150 0.000 2.599 371 S HA 1.054 5.523 4.470 -0.001 0.000 0.294 371 S C 0.277 174.909 174.600 0.054 0.000 1.094 371 S CA 0.020 58.261 58.200 0.068 0.000 0.931 371 S CB 1.443 64.673 63.200 0.051 0.000 1.093 371 S HN 2.770 nan 8.310 nan 0.000 0.488 372 G N 0.823 109.574 108.800 -0.082 0.000 2.445 372 G HA2 0.163 4.122 3.960 -0.001 0.000 0.212 372 G HA3 0.163 4.122 3.960 -0.001 0.000 0.212 372 G C -0.151 174.648 174.900 -0.168 0.000 1.217 372 G CA -0.142 44.892 45.100 -0.110 0.000 1.002 372 G HN 1.645 nan 8.290 nan 0.000 0.574 373 F N -0.015 119.817 119.950 -0.195 0.000 3.057 373 F HA -0.184 4.343 4.527 -0.001 0.000 0.287 373 F C 0.637 176.319 175.800 -0.197 0.000 0.834 373 F CA 1.248 59.017 58.000 -0.384 0.000 1.147 373 F CB -1.694 36.971 39.000 -0.558 0.000 1.245 373 F HN 0.635 nan 8.300 nan 0.000 0.509 374 N N -0.047 118.662 118.700 0.014 0.000 2.392 374 N HA 0.740 5.479 4.740 -0.001 0.000 0.283 374 N C 0.254 175.831 175.510 0.113 0.000 1.003 374 N CA 0.035 53.142 53.050 0.094 0.000 0.892 374 N CB 2.057 40.571 38.487 0.045 0.000 1.193 374 N HN 0.376 nan 8.380 nan 0.000 0.487 375 G N 0.481 109.376 108.800 0.159 0.000 2.576 375 G HA2 0.325 4.285 3.960 -0.001 0.000 0.290 375 G HA3 0.325 4.285 3.960 -0.001 0.000 0.290 375 G C -1.242 173.736 174.900 0.129 0.000 1.442 375 G CA -0.794 44.393 45.100 0.144 0.000 0.792 375 G HN 0.331 nan 8.290 nan 0.000 0.491 376 K N -0.633 119.822 120.400 0.090 0.000 2.180 376 K HA 0.225 4.544 4.320 -0.001 0.000 0.251 376 K C 1.076 177.734 176.600 0.098 0.000 1.014 376 K CA -0.359 55.944 56.287 0.026 0.000 0.913 376 K CB 0.848 33.359 32.500 0.017 0.000 1.008 376 K HN 0.675 nan 8.250 nan 0.000 0.490 377 H N 0.744 119.849 119.070 0.058 0.000 2.390 377 H HA -0.158 4.397 4.556 -0.001 0.000 0.298 377 H C 1.066 176.395 175.328 0.001 0.000 1.106 377 H CA 1.579 57.630 56.048 0.005 0.000 1.297 377 H CB 0.232 29.968 29.762 -0.043 0.000 1.375 377 H HN 0.649 nan 8.280 nan 0.000 0.509 378 D N 0.300 120.785 120.400 0.142 0.000 2.349 378 D HA -0.042 4.598 4.640 -0.001 0.000 0.214 378 D C -0.204 176.144 176.300 0.081 0.000 1.063 378 D CA 0.011 54.061 54.000 0.084 0.000 0.847 378 D CB -0.088 40.748 40.800 0.060 0.000 0.933 378 D HN 0.176 nan 8.370 nan 0.000 0.513 379 D N 3.302 123.763 120.400 0.102 0.000 2.520 379 D HA -0.018 4.622 4.640 -0.001 0.000 0.243 379 D C -0.837 175.522 176.300 0.097 0.000 1.160 379 D CA -1.010 53.051 54.000 0.102 0.000 0.877 379 D CB 1.482 42.356 40.800 0.123 0.000 1.150 379 D HN 0.119 nan 8.370 nan 0.000 0.494 380 P HA -0.034 nan 4.420 nan 0.000 0.221 380 P C -0.198 177.118 177.300 0.027 0.000 1.150 380 P CA 0.665 63.797 63.100 0.054 0.000 0.800 380 P CB 0.631 32.358 31.700 0.046 0.000 0.787 381 A N -0.752 122.064 122.820 -0.006 0.000 2.556 381 A HA 0.710 5.030 4.320 -0.001 0.000 0.294 381 A C -1.247 176.238 177.584 -0.165 0.000 1.091 381 A CA -0.685 51.281 52.037 -0.118 0.000 0.704 381 A CB 0.948 19.800 19.000 -0.247 0.000 1.300 381 A HN -0.002 nan 8.150 nan 0.000 0.406 382 L N 0.460 121.565 121.223 -0.196 0.000 2.333 382 L HA 0.644 4.984 4.340 -0.001 0.000 0.269 382 L C -1.350 175.252 176.870 -0.446 0.000 1.010 382 L CA -0.693 54.039 54.840 -0.179 0.000 0.818 382 L CB 1.876 43.944 42.059 0.015 0.000 1.306 382 L HN 0.768 nan 8.230 nan 0.000 0.430 383 Y N 1.423 121.640 120.300 -0.139 0.000 2.509 383 Y HA 0.660 5.209 4.550 -0.001 0.000 0.341 383 Y C -0.359 175.394 175.900 -0.245 0.000 1.038 383 Y CA -0.760 57.205 58.100 -0.225 0.000 1.089 383 Y CB 2.020 40.333 38.460 -0.245 0.000 1.241 383 Y HN 0.377 nan 8.280 nan 0.000 0.468 384 F N -0.938 118.909 119.950 -0.171 0.000 2.619 384 F HA 0.916 5.443 4.527 -0.001 0.000 0.308 384 F C -0.598 175.229 175.800 0.045 0.000 1.097 384 F CA -1.447 56.405 58.000 -0.247 0.000 0.953 384 F CB 1.135 39.698 39.000 -0.729 0.000 1.287 384 F HN 0.587 nan 8.300 nan 0.000 0.446 385 G N 1.515 110.497 108.800 0.303 0.000 2.417 385 G HA2 0.619 4.578 3.960 -0.001 0.000 0.334 385 G HA3 0.619 4.578 3.960 -0.001 0.000 0.334 385 G C -2.429 172.750 174.900 0.465 0.000 1.150 385 G CA -0.804 44.467 45.100 0.284 0.000 0.923 385 G HN 0.823 nan 8.290 nan 0.000 0.485 386 F N 0.981 121.105 119.950 0.291 0.000 2.565 386 F HA 0.696 5.222 4.527 -0.001 0.000 0.313 386 F C -0.283 175.601 175.800 0.140 0.000 1.091 386 F CA -0.777 57.372 58.000 0.248 0.000 0.915 386 F CB 2.047 41.236 39.000 0.315 0.000 1.208 386 F HN 0.773 nan 8.300 nan 0.000 0.453 387 E N 3.946 123.547 120.200 -0.999 0.000 2.422 387 E HA 0.443 4.792 4.350 -0.001 0.000 0.280 387 E C -2.170 173.968 176.600 -0.770 0.000 1.091 387 E CA -1.140 54.851 56.400 -0.681 0.000 0.849 387 E CB 2.446 31.991 29.700 -0.259 0.000 1.353 387 E HN 0.796 nan 8.360 nan 0.000 0.449 388 N N -0.930 117.517 118.700 -0.422 0.000 3.378 388 N HA 0.102 4.841 4.740 -0.001 0.000 0.294 388 N C -0.373 174.999 175.510 -0.229 0.000 1.544 388 N CA -0.832 51.989 53.050 -0.381 0.000 0.872 388 N CB 0.238 38.577 38.487 -0.247 0.000 1.670 388 N HN 0.353 nan 8.380 nan 0.000 0.551 389 Y N -0.641 119.650 120.300 -0.015 0.000 2.403 389 Y HA 0.062 4.611 4.550 -0.001 0.000 0.291 389 Y C 2.179 178.061 175.900 -0.030 0.000 1.143 389 Y CA 1.713 59.786 58.100 -0.044 0.000 1.257 389 Y CB -0.204 38.236 38.460 -0.033 0.000 0.984 389 Y HN 0.734 nan 8.280 nan 0.000 0.550 390 A N -1.207 121.698 122.820 0.141 0.000 2.431 390 A HA 0.204 4.523 4.320 -0.001 0.000 0.239 390 A C 0.482 178.127 177.584 0.102 0.000 1.230 390 A CA -0.081 52.002 52.037 0.077 0.000 0.928 390 A CB 0.174 19.254 19.000 0.133 0.000 1.006 390 A HN 0.166 nan 8.150 nan 0.000 0.520 391 Q N 1.547 121.385 119.800 0.062 0.000 2.413 391 Q HA 0.375 4.715 4.340 -0.001 0.000 0.258 391 Q C -2.927 172.878 176.000 -0.324 0.000 1.037 391 Q CA -2.731 53.031 55.803 -0.068 0.000 0.764 391 Q CB 2.004 30.780 28.738 0.063 0.000 1.217 391 Q HN 0.168 nan 8.270 nan 0.000 0.490 392 P HA 0.115 nan 4.420 nan 0.000 0.269 392 P C -2.454 174.630 177.300 -0.359 0.000 1.215 392 P CA -1.276 61.168 63.100 -1.094 0.000 0.780 392 P CB -0.165 30.794 31.700 -1.236 0.000 0.898 393 P HA -0.030 nan 4.420 nan 0.000 0.257 393 P C -0.431 176.860 177.300 -0.014 0.000 1.162 393 P CA 1.275 64.353 63.100 -0.038 0.000 0.762 393 P CB -0.279 31.435 31.700 0.024 0.000 0.753 394 T N 4.578 119.165 114.554 0.055 0.000 2.841 394 T HA 0.532 4.882 4.350 -0.001 0.000 0.283 394 T C -0.124 174.568 174.700 -0.013 0.000 1.000 394 T CA -0.594 61.510 62.100 0.008 0.000 0.977 394 T CB 0.752 69.676 68.868 0.094 0.000 0.979 394 T HN 0.098 nan 8.240 nan 0.000 0.446 395 L N 2.919 124.036 121.223 -0.176 0.000 2.325 395 L HA 0.657 4.996 4.340 -0.001 0.000 0.278 395 L C -1.085 175.517 176.870 -0.445 0.000 1.023 395 L CA -0.974 53.777 54.840 -0.148 0.000 0.811 395 L CB 0.986 43.073 42.059 0.045 0.000 1.249 395 L HN 0.639 nan 8.230 nan 0.000 0.431 396 Y N 0.666 120.752 120.300 -0.357 0.000 2.576 396 Y HA 0.558 5.108 4.550 -0.001 0.000 0.346 396 Y C -0.289 175.389 175.900 -0.370 0.000 1.018 396 Y CA -0.859 56.952 58.100 -0.482 0.000 1.050 396 Y CB 2.196 39.979 38.460 -1.127 0.000 1.280 396 Y HN 0.440 nan 8.280 nan 0.000 0.474 397 R N 1.973 122.454 120.500 -0.032 0.000 2.387 397 R HA 0.509 4.849 4.340 -0.001 0.000 0.314 397 R C -2.102 174.192 176.300 -0.010 0.000 0.958 397 R CA -0.519 55.488 56.100 -0.155 0.000 0.846 397 R CB 0.708 30.954 30.300 -0.090 0.000 1.147 397 R HN 0.618 nan 8.270 nan 0.000 0.447 398 F N 4.422 124.244 119.950 -0.212 0.000 2.403 398 F HA 0.337 4.863 4.527 -0.001 0.000 0.355 398 F C -0.599 175.172 175.800 -0.049 0.000 1.119 398 F CA -0.808 57.178 58.000 -0.024 0.000 1.007 398 F CB 1.292 40.334 39.000 0.071 0.000 1.194 398 F HN 0.463 nan 8.300 nan 0.000 0.443 399 E N 8.140 128.045 120.200 -0.492 0.000 2.070 399 E HA 0.144 4.494 4.350 -0.001 0.000 0.282 399 E C -2.008 174.182 176.600 -0.683 0.000 1.104 399 E CA -1.713 54.447 56.400 -0.400 0.000 0.876 399 E CB 0.890 30.443 29.700 -0.246 0.000 1.055 399 E HN 0.457 nan 8.360 nan 0.000 0.401 400 P HA -0.260 nan 4.420 nan 0.000 0.216 400 P C 1.462 178.658 177.300 -0.173 0.000 1.167 400 P CA 1.648 64.682 63.100 -0.110 0.000 0.914 400 P CB 0.322 32.249 31.700 0.377 0.000 0.793 401 K N -0.382 120.008 120.400 -0.016 0.000 2.002 401 K HA -0.135 4.185 4.320 -0.001 0.000 0.209 401 K C 2.215 178.762 176.600 -0.088 0.000 1.048 401 K CA 2.256 58.545 56.287 0.004 0.000 0.930 401 K CB -0.454 32.088 32.500 0.070 0.000 0.714 401 K HN 0.169 nan 8.250 nan 0.000 0.438 402 S N -1.204 114.421 115.700 -0.126 0.000 2.470 402 S HA 0.087 4.557 4.470 -0.001 0.000 0.225 402 S C 1.316 175.826 174.600 -0.150 0.000 1.006 402 S CA 0.617 58.751 58.200 -0.110 0.000 0.934 402 S CB 0.195 63.342 63.200 -0.088 0.000 0.778 402 S HN 0.568 nan 8.310 nan 0.000 0.517 403 G N 1.123 109.722 108.800 -0.335 0.000 2.160 403 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.251 403 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.251 403 G C 0.172 174.968 174.900 -0.175 0.000 1.008 403 G CA 0.021 44.903 45.100 -0.363 0.000 0.724 403 G HN 1.310 nan 8.290 nan 0.000 0.514 404 A N -0.237 122.447 122.820 -0.226 0.000 2.409 404 A HA 0.718 5.037 4.320 -0.001 0.000 0.262 404 A C 0.447 178.040 177.584 0.016 0.000 1.113 404 A CA 0.023 52.023 52.037 -0.061 0.000 0.790 404 A CB 0.407 19.369 19.000 -0.065 0.000 1.046 404 A HN 0.745 nan 8.150 nan 0.000 0.496 405 I N 2.288 122.947 120.570 0.148 0.000 2.441 405 I HA 0.455 4.624 4.170 -0.001 0.000 0.295 405 I C 0.174 176.395 176.117 0.174 0.000 0.994 405 I CA -0.164 61.281 61.300 0.241 0.000 1.144 405 I CB 2.190 40.383 38.000 0.323 0.000 1.314 405 I HN 0.753 nan 8.210 nan 0.000 0.445 406 S N 5.991 121.801 115.700 0.184 0.000 2.546 406 S HA 0.528 4.997 4.470 -0.001 0.000 0.274 406 S C -0.794 173.908 174.600 0.169 0.000 1.121 406 S CA -0.908 57.384 58.200 0.155 0.000 0.887 406 S CB 1.757 65.007 63.200 0.084 0.000 1.094 406 S HN 0.559 nan 8.310 nan 0.000 0.474 407 L N 2.773 124.048 121.223 0.087 0.000 2.499 407 L HA 0.189 4.529 4.340 -0.001 0.000 0.273 407 L C 0.244 177.057 176.870 -0.095 0.000 1.195 407 L CA 0.055 54.802 54.840 -0.155 0.000 0.882 407 L CB 0.585 42.557 42.059 -0.144 0.000 1.133 407 L HN 0.996 nan 8.230 nan 0.000 0.483 408 Y N 4.955 125.075 120.300 -0.299 0.000 2.594 408 Y HA 0.317 4.867 4.550 -0.000 0.000 0.283 408 Y C 0.278 176.056 175.900 -0.203 0.000 1.140 408 Y CA 0.065 58.061 58.100 -0.173 0.000 1.261 408 Y CB 0.630 39.043 38.460 -0.077 0.000 1.358 408 Y HN 0.379 nan 8.280 nan 0.000 0.513 409 R N 1.282 121.623 120.500 -0.264 0.000 2.569 409 R HA 0.524 4.863 4.340 -0.001 0.000 0.293 409 R C -0.938 175.229 176.300 -0.220 0.000 1.186 409 R CA -0.236 55.691 56.100 -0.289 0.000 0.956 409 R CB 1.272 31.457 30.300 -0.192 0.000 1.196 409 R HN 0.278 nan 8.270 nan 0.000 0.444 410 A N 1.777 124.474 122.820 -0.205 0.000 2.366 410 A HA 0.288 4.607 4.320 -0.001 0.000 0.249 410 A C 0.424 177.938 177.584 -0.117 0.000 1.084 410 A CA -0.054 51.888 52.037 -0.159 0.000 0.794 410 A CB 0.699 19.620 19.000 -0.132 0.000 1.034 410 A HN 0.567 nan 8.150 nan 0.000 0.491 411 S N -0.110 115.527 115.700 -0.105 0.000 2.565 411 S HA 0.418 4.888 4.470 -0.001 0.000 0.276 411 S C 0.917 175.450 174.600 -0.112 0.000 1.326 411 S CA 0.001 58.144 58.200 -0.096 0.000 1.045 411 S CB 0.825 63.929 63.200 -0.160 0.000 0.918 411 S HN 1.428 nan 8.310 nan 0.000 0.505 412 A N 3.774 126.557 122.820 -0.062 0.000 2.308 412 A HA 0.609 4.928 4.320 -0.001 0.000 0.217 412 A C 0.963 178.340 177.584 -0.344 0.000 1.216 412 A CA 0.230 52.226 52.037 -0.068 0.000 0.864 412 A CB -0.603 18.464 19.000 0.113 0.000 0.902 412 A HN 1.121 nan 8.150 nan 0.000 0.499 413 A N 1.649 124.026 122.820 -0.739 0.000 2.498 413 A HA 0.475 4.794 4.320 -0.001 0.000 0.239 413 A C -1.889 175.352 177.584 -0.572 0.000 1.068 413 A CA -0.858 50.425 52.037 -1.258 0.000 0.766 413 A CB -0.164 18.309 19.000 -0.878 0.000 1.003 413 A HN 0.252 nan 8.150 nan 0.000 0.497 414 P HA 0.367 nan 4.420 nan 0.000 0.220 414 P C -1.317 175.468 177.300 -0.859 0.000 1.806 414 P CA 0.354 63.112 63.100 -0.568 0.000 0.976 414 P CB -0.715 30.677 31.700 -0.513 0.000 1.952 415 F N 0.174 120.086 119.950 -0.064 0.000 2.630 415 F HA 0.332 4.859 4.527 -0.000 0.000 0.325 415 F C 0.361 176.208 175.800 0.079 0.000 1.184 415 F CA -0.781 57.270 58.000 0.085 0.000 1.011 415 F CB 2.263 41.338 39.000 0.125 0.000 1.268 415 F HN -0.236 nan 8.300 nan 0.000 0.480 416 K N 4.726 125.310 120.400 0.306 0.000 2.253 416 K HA 0.303 4.622 4.320 -0.001 0.000 0.277 416 K C -2.064 174.700 176.600 0.273 0.000 1.053 416 K CA -1.579 54.812 56.287 0.174 0.000 0.892 416 K CB 1.506 34.038 32.500 0.054 0.000 1.102 416 K HN 0.183 nan 8.250 nan 0.000 0.469 417 P HA -0.272 nan 4.420 nan 0.000 0.215 417 P C 0.427 177.868 177.300 0.234 0.000 1.163 417 P CA 1.502 64.767 63.100 0.274 0.000 0.894 417 P CB 0.200 31.994 31.700 0.157 0.000 0.791 418 E N -0.915 119.350 120.200 0.109 0.000 2.510 418 E HA -0.148 4.201 4.350 -0.001 0.000 0.202 418 E C 0.951 177.529 176.600 -0.037 0.000 1.072 418 E CA 0.959 57.388 56.400 0.048 0.000 0.883 418 E CB -1.338 28.380 29.700 0.030 0.000 0.818 418 E HN 0.320 nan 8.360 nan 0.000 0.548 419 D N -0.655 119.650 120.400 -0.158 0.000 2.340 419 D HA 0.033 4.673 4.640 -0.001 0.000 0.220 419 D C -0.475 175.453 176.300 -0.621 0.000 1.039 419 D CA 0.381 54.129 54.000 -0.420 0.000 0.866 419 D CB 0.181 40.610 40.800 -0.617 0.000 0.913 419 D HN 0.236 nan 8.370 nan 0.000 0.523 420 Y N -0.881 119.441 120.300 0.036 0.000 2.598 420 Y HA 0.512 5.062 4.550 -0.001 0.000 0.340 420 Y C 0.098 175.957 175.900 -0.068 0.000 1.038 420 Y CA -1.180 56.916 58.100 -0.005 0.000 1.100 420 Y CB 1.572 40.039 38.460 0.013 0.000 1.281 420 Y HN -0.444 nan 8.280 nan 0.000 0.488 421 V N 1.002 120.885 119.914 -0.051 0.000 2.540 421 V HA 0.555 4.675 4.120 -0.001 0.000 0.302 421 V C -0.831 175.082 176.094 -0.301 0.000 1.035 421 V CA -0.580 61.571 62.300 -0.249 0.000 0.873 421 V CB 1.804 33.292 31.823 -0.559 0.000 0.992 421 V HN 0.728 nan 8.190 nan 0.000 0.428 422 S N 4.309 119.946 115.700 -0.106 0.000 2.789 422 S HA 0.485 4.955 4.470 -0.001 0.000 0.286 422 S C -0.708 173.905 174.600 0.021 0.000 1.153 422 S CA -0.702 57.481 58.200 -0.028 0.000 1.084 422 S CB 0.541 63.799 63.200 0.096 0.000 1.036 422 S HN 0.921 nan 8.310 nan 0.000 0.484 423 E N 2.933 123.146 120.200 0.022 0.000 2.244 423 E HA 0.470 4.819 4.350 -0.001 0.000 0.266 423 E C -0.839 175.793 176.600 0.053 0.000 0.914 423 E CA -1.029 55.416 56.400 0.075 0.000 0.794 423 E CB 1.456 31.240 29.700 0.140 0.000 1.210 423 E HN 0.479 nan 8.360 nan 0.000 0.414 424 Q N 2.059 121.883 119.800 0.041 0.000 2.271 424 Q HA 0.329 4.668 4.340 -0.001 0.000 0.258 424 Q C -0.991 174.953 176.000 -0.093 0.000 0.936 424 Q CA -0.755 55.006 55.803 -0.070 0.000 0.909 424 Q CB 1.056 29.741 28.738 -0.087 0.000 1.253 424 Q HN 0.398 nan 8.270 nan 0.000 0.440 425 R N 2.946 123.310 120.500 -0.227 0.000 2.837 425 R HA 0.520 4.860 4.340 -0.001 0.000 0.271 425 R C -1.355 174.668 176.300 -0.462 0.000 0.993 425 R CA -0.633 55.387 56.100 -0.133 0.000 0.931 425 R CB 1.338 31.695 30.300 0.095 0.000 1.206 425 R HN 0.593 nan 8.270 nan 0.000 0.474 426 F N 1.537 121.446 119.950 -0.069 0.000 2.520 426 F HA 0.453 4.979 4.527 -0.001 0.000 0.322 426 F C -0.001 175.676 175.800 -0.205 0.000 1.103 426 F CA -0.806 57.112 58.000 -0.137 0.000 0.926 426 F CB 1.357 40.311 39.000 -0.077 0.000 1.154 426 F HN 0.426 nan 8.300 nan 0.000 0.453 427 Y N -0.561 119.668 120.300 -0.118 0.000 2.633 427 Y HA 0.711 5.260 4.550 -0.001 0.000 0.339 427 Y C -1.214 174.720 175.900 0.057 0.000 1.045 427 Y CA -1.466 56.561 58.100 -0.121 0.000 1.098 427 Y CB 1.157 39.422 38.460 -0.326 0.000 1.296 427 Y HN 0.530 nan 8.280 nan 0.000 0.494 428 Q N 1.564 121.502 119.800 0.230 0.000 2.293 428 Q HA 0.436 4.776 4.340 -0.001 0.000 0.261 428 Q C -0.566 175.578 176.000 0.239 0.000 0.960 428 Q CA -0.844 55.041 55.803 0.137 0.000 0.882 428 Q CB 2.066 30.879 28.738 0.126 0.000 1.275 428 Q HN 0.873 nan 8.270 nan 0.000 0.445 429 S N 1.412 117.201 115.700 0.148 0.000 2.661 429 S HA 0.093 4.563 4.470 -0.001 0.000 0.265 429 S C 1.139 175.809 174.600 0.116 0.000 1.225 429 S CA -0.255 58.052 58.200 0.179 0.000 0.986 429 S CB 0.885 64.152 63.200 0.112 0.000 1.008 429 S HN 0.767 nan 8.310 nan 0.000 0.565 430 K N 0.449 120.908 120.400 0.097 0.000 2.089 430 K HA -0.203 4.116 4.320 -0.001 0.000 0.210 430 K C 0.927 177.554 176.600 0.045 0.000 1.048 430 K CA 2.316 58.643 56.287 0.067 0.000 0.926 430 K CB -0.521 32.012 32.500 0.055 0.000 0.714 430 K HN 0.778 nan 8.250 nan 0.000 0.448 431 D N -1.798 118.619 120.400 0.029 0.000 2.328 431 D HA 0.063 4.702 4.640 -0.001 0.000 0.226 431 D C 0.994 177.303 176.300 0.015 0.000 1.066 431 D CA 0.754 54.763 54.000 0.014 0.000 0.861 431 D CB 0.357 41.153 40.800 -0.006 0.000 0.912 431 D HN 0.477 nan 8.370 nan 0.000 0.521 432 G N -0.666 108.152 108.800 0.030 0.000 2.195 432 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.246 432 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.246 432 G C 0.458 175.369 174.900 0.019 0.000 0.984 432 G CA 0.160 45.276 45.100 0.028 0.000 0.633 432 G HN 0.444 nan 8.290 nan 0.000 0.525 433 T N 1.416 115.979 114.554 0.014 0.000 2.902 433 T HA 0.348 4.698 4.350 -0.001 0.000 0.301 433 T C 0.682 175.389 174.700 0.012 0.000 1.012 433 T CA 0.245 62.356 62.100 0.018 0.000 1.151 433 T CB 1.097 69.967 68.868 0.003 0.000 0.946 433 T HN 0.503 nan 8.240 nan 0.000 0.542 434 R N 2.565 123.070 120.500 0.009 0.000 2.265 434 R HA 0.456 4.795 4.340 -0.001 0.000 0.314 434 R C -1.234 175.075 176.300 0.014 0.000 1.053 434 R CA -0.338 55.742 56.100 -0.034 0.000 0.931 434 R CB 0.348 30.600 30.300 -0.079 0.000 1.024 434 R HN 0.423 nan 8.270 nan 0.000 0.457 435 V N 7.114 126.917 119.914 -0.185 0.000 2.588 435 V HA 0.406 4.525 4.120 -0.001 0.000 0.304 435 V C -2.308 173.642 176.094 -0.241 0.000 1.042 435 V CA -2.278 59.915 62.300 -0.177 0.000 0.877 435 V CB 1.964 33.475 31.823 -0.520 0.000 0.996 435 V HN 0.816 nan 8.190 nan 0.000 0.425 436 P HA 0.510 nan 4.420 nan 0.000 0.278 436 P C -1.205 176.021 177.300 -0.125 0.000 1.238 436 P CA -0.402 62.534 63.100 -0.273 0.000 0.794 436 P CB 0.968 32.605 31.700 -0.106 0.000 0.955 437 L N 3.152 124.237 121.223 -0.230 0.000 2.505 437 L HA 0.503 4.843 4.340 -0.001 0.000 0.266 437 L C -1.557 175.236 176.870 -0.129 0.000 0.954 437 L CA -0.328 54.473 54.840 -0.065 0.000 0.852 437 L CB 1.373 43.442 42.059 0.016 0.000 1.282 437 L HN 0.240 nan 8.230 nan 0.000 0.403 438 I N 6.132 126.654 120.570 -0.081 0.000 2.339 438 I HA 0.445 4.614 4.170 -0.001 0.000 0.290 438 I C -0.611 175.418 176.117 -0.146 0.000 0.994 438 I CA -0.441 60.819 61.300 -0.065 0.000 1.191 438 I CB 1.423 39.463 38.000 0.067 0.000 1.343 438 I HN 0.486 nan 8.210 nan 0.000 0.458 439 I N 5.436 125.945 120.570 -0.102 0.000 2.378 439 I HA 0.372 4.542 4.170 -0.001 0.000 0.291 439 I C -0.199 175.903 176.117 -0.025 0.000 0.992 439 I CA -0.153 61.085 61.300 -0.104 0.000 1.154 439 I CB 1.704 39.592 38.000 -0.186 0.000 1.315 439 I HN 0.464 nan 8.210 nan 0.000 0.448 440 S N 5.274 120.980 115.700 0.011 0.000 2.526 440 S HA 0.843 5.313 4.470 -0.001 0.000 0.293 440 S C -1.187 173.507 174.600 0.157 0.000 1.092 440 S CA -0.663 57.521 58.200 -0.026 0.000 0.980 440 S CB 1.819 65.013 63.200 -0.010 0.000 1.048 440 S HN 0.596 nan 8.310 nan 0.000 0.483 441 Y N -1.064 119.326 120.300 0.151 0.000 2.774 441 Y HA 0.590 5.139 4.550 -0.001 0.000 0.346 441 Y C -0.985 175.053 175.900 0.231 0.000 1.222 441 Y CA -1.440 56.756 58.100 0.160 0.000 1.088 441 Y CB 0.381 38.915 38.460 0.124 0.000 1.354 441 Y HN 0.378 nan 8.280 nan 0.000 0.455 442 R N 2.294 123.040 120.500 0.409 0.000 2.491 442 R HA 0.226 4.565 4.340 -0.001 0.000 0.283 442 R C -0.532 175.917 176.300 0.248 0.000 1.072 442 R CA -0.261 55.982 56.100 0.237 0.000 1.048 442 R CB 0.658 31.031 30.300 0.122 0.000 0.983 442 R HN 0.846 nan 8.270 nan 0.000 0.450 443 K N 0.543 121.001 120.400 0.097 0.000 2.469 443 K HA 0.054 4.373 4.320 -0.001 0.000 0.274 443 K C 0.955 177.620 176.600 0.108 0.000 0.983 443 K CA 1.254 57.615 56.287 0.123 0.000 0.974 443 K CB 0.336 32.853 32.500 0.030 0.000 0.913 443 K HN 0.858 nan 8.250 nan 0.000 0.493 444 G N 1.827 110.701 108.800 0.124 0.000 2.213 444 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.226 444 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.226 444 G C 0.004 174.930 174.900 0.043 0.000 0.992 444 G CA -0.090 45.048 45.100 0.063 0.000 0.632 444 G HN 0.550 nan 8.290 nan 0.000 0.511 445 L N 1.223 122.485 121.223 0.065 0.000 2.485 445 L HA 0.560 4.900 4.340 -0.001 0.000 0.275 445 L C 0.321 177.135 176.870 -0.093 0.000 1.207 445 L CA 0.112 54.923 54.840 -0.049 0.000 0.855 445 L CB 0.394 42.346 42.059 -0.178 0.000 1.114 445 L HN 0.154 nan 8.230 nan 0.000 0.485 446 K N 5.556 125.892 120.400 -0.107 0.000 2.221 446 K HA 0.375 4.695 4.320 -0.001 0.000 0.258 446 K C -0.743 175.760 176.600 -0.160 0.000 0.944 446 K CA -0.657 55.563 56.287 -0.111 0.000 0.823 446 K CB 1.626 34.082 32.500 -0.074 0.000 1.113 446 K HN 0.605 nan 8.250 nan 0.000 0.431 447 L N 3.996 125.100 121.223 -0.198 0.000 2.437 447 L HA 0.053 4.392 4.340 -0.001 0.000 0.243 447 L C 0.074 176.838 176.870 -0.177 0.000 1.346 447 L CA 0.031 54.713 54.840 -0.263 0.000 1.233 447 L CB -0.911 40.928 42.059 -0.366 0.000 1.436 447 L HN 0.691 nan 8.230 nan 0.000 0.416 448 D N -1.223 119.101 120.400 -0.128 0.000 2.395 448 D HA 0.117 4.756 4.640 -0.001 0.000 0.213 448 D C 1.315 177.569 176.300 -0.076 0.000 1.110 448 D CA 0.154 54.100 54.000 -0.091 0.000 0.835 448 D CB 0.566 41.325 40.800 -0.069 0.000 0.965 448 D HN 0.302 nan 8.370 nan 0.000 0.505 449 G N 0.585 109.336 108.800 -0.082 0.000 2.198 449 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.260 449 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.260 449 G C 0.821 175.708 174.900 -0.022 0.000 1.025 449 G CA 0.723 45.794 45.100 -0.049 0.000 0.769 449 G HN 0.784 nan 8.290 nan 0.000 0.507 450 S N -1.424 114.265 115.700 -0.018 0.000 2.666 450 S HA 0.236 4.705 4.470 -0.001 0.000 0.239 450 S C 0.434 175.059 174.600 0.042 0.000 1.031 450 S CA -0.118 58.084 58.200 0.003 0.000 1.015 450 S CB 0.361 63.551 63.200 -0.015 0.000 0.981 450 S HN 0.363 nan 8.310 nan 0.000 0.547 451 N N 4.865 123.582 118.700 0.030 0.000 2.497 451 N HA 0.240 4.980 4.740 -0.001 0.000 0.268 451 N C -2.847 172.714 175.510 0.086 0.000 1.171 451 N CA -0.930 52.141 53.050 0.034 0.000 0.948 451 N CB 0.506 38.988 38.487 -0.007 0.000 1.069 451 N HN 0.332 nan 8.380 nan 0.000 0.460 452 P HA 0.050 nan 4.420 nan 0.000 0.267 452 P C -0.605 176.872 177.300 0.294 0.000 1.209 452 P CA 0.201 63.415 63.100 0.190 0.000 0.763 452 P CB 0.572 32.300 31.700 0.047 0.000 0.816 453 T N 4.254 119.014 114.554 0.343 0.000 2.893 453 T HA 0.553 4.903 4.350 -0.001 0.000 0.293 453 T C 0.043 174.908 174.700 0.274 0.000 1.027 453 T CA -0.404 61.902 62.100 0.343 0.000 0.988 453 T CB 1.077 70.046 68.868 0.170 0.000 1.043 453 T HN 0.239 nan 8.240 nan 0.000 0.461 454 I N 3.157 123.865 120.570 0.231 0.000 2.389 454 I HA 0.400 4.569 4.170 -0.001 0.000 0.288 454 I C -1.024 175.082 176.117 -0.019 0.000 0.999 454 I CA -0.962 60.369 61.300 0.052 0.000 1.129 454 I CB 1.653 39.592 38.000 -0.101 0.000 1.288 454 I HN 0.313 nan 8.210 nan 0.000 0.444 455 L N 8.584 129.796 121.223 -0.019 0.000 2.272 455 L HA 0.461 4.801 4.340 -0.001 0.000 0.289 455 L C -1.357 175.604 176.870 0.151 0.000 1.032 455 L CA -0.162 54.637 54.840 -0.069 0.000 0.810 455 L CB 0.872 42.804 42.059 -0.212 0.000 1.205 455 L HN 0.427 nan 8.230 nan 0.000 0.422 456 Y N 4.278 124.545 120.300 -0.055 0.000 2.446 456 Y HA 0.845 5.395 4.550 -0.001 0.000 0.338 456 Y C 0.113 176.131 175.900 0.197 0.000 1.055 456 Y CA -0.003 58.142 58.100 0.076 0.000 1.101 456 Y CB 2.014 40.417 38.460 -0.094 0.000 1.221 456 Y HN 0.772 nan 8.280 nan 0.000 0.460 457 G N 2.758 111.183 108.800 -0.626 0.000 2.608 457 G HA2 0.303 4.262 3.960 -0.001 0.000 0.291 457 G HA3 0.303 4.262 3.960 -0.001 0.000 0.291 457 G C -2.059 172.452 174.900 -0.648 0.000 1.425 457 G CA -0.371 44.419 45.100 -0.516 0.000 0.787 457 G HN 0.619 nan 8.290 nan 0.000 0.484 458 Y N -0.254 119.778 120.300 -0.446 0.000 3.284 458 Y HA 0.459 5.009 4.550 -0.001 0.000 0.165 458 Y C 1.499 177.278 175.900 -0.202 0.000 0.881 458 Y CA 1.604 59.523 58.100 -0.301 0.000 1.837 458 Y CB 0.452 38.819 38.460 -0.154 0.000 1.398 458 Y HN 1.810 nan 8.280 nan 0.000 0.336 459 G N 1.208 110.015 108.800 0.012 0.000 2.473 459 G HA2 0.339 4.299 3.960 -0.001 0.000 0.289 459 G HA3 0.339 4.299 3.960 -0.001 0.000 0.289 459 G C 0.026 174.840 174.900 -0.143 0.000 1.084 459 G CA 0.554 45.606 45.100 -0.080 0.000 1.215 459 G HN 1.379 nan 8.290 nan 0.000 0.527 460 G N -1.260 107.558 108.800 0.031 0.000 2.325 460 G HA2 0.620 4.579 3.960 -0.001 0.000 0.297 460 G HA3 0.620 4.579 3.960 -0.001 0.000 0.297 460 G C -0.005 175.020 174.900 0.208 0.000 1.448 460 G CA 0.157 45.249 45.100 -0.013 0.000 0.838 460 G HN 1.456 nan 8.290 nan 0.000 0.579 461 F N -0.444 119.464 119.950 -0.070 0.000 3.084 461 F HA -0.223 4.303 4.527 -0.001 0.000 0.286 461 F C 1.223 176.765 175.800 -0.429 0.000 0.855 461 F CA 1.727 59.620 58.000 -0.179 0.000 1.091 461 F CB -1.283 37.673 39.000 -0.074 0.000 1.177 461 F HN 1.000 nan 8.300 nan 0.000 0.542 462 D N -0.977 118.999 120.400 -0.706 0.000 2.983 462 D HA -0.193 4.446 4.640 -0.001 0.000 0.225 462 D C -0.059 176.170 176.300 -0.119 0.000 1.174 462 D CA 1.026 54.738 54.000 -0.480 0.000 0.831 462 D CB -0.788 39.709 40.800 -0.505 0.000 1.104 462 D HN 0.233 nan 8.370 nan 0.000 0.421 463 V N 0.762 120.675 119.914 -0.002 0.000 2.530 463 V HA 0.353 4.472 4.120 -0.001 0.000 0.282 463 V C 0.778 176.882 176.094 0.017 0.000 1.048 463 V CA -0.055 62.237 62.300 -0.013 0.000 0.997 463 V CB 1.726 33.495 31.823 -0.090 0.000 0.987 463 V HN 0.192 nan 8.190 nan 0.000 0.477 464 S N 6.053 121.739 115.700 -0.022 0.000 2.437 464 S HA 0.541 5.011 4.470 -0.001 0.000 0.305 464 S C -0.239 174.356 174.600 -0.007 0.000 1.109 464 S CA -0.540 57.657 58.200 -0.005 0.000 1.099 464 S CB 0.864 64.037 63.200 -0.045 0.000 1.004 464 S HN 0.521 nan 8.310 nan 0.000 0.475 465 L N 4.681 125.930 121.223 0.044 0.000 2.356 465 L HA 0.265 4.605 4.340 -0.001 0.000 0.282 465 L C 0.868 177.777 176.870 0.065 0.000 1.132 465 L CA -0.462 54.427 54.840 0.082 0.000 0.923 465 L CB -0.487 41.681 42.059 0.181 0.000 1.278 465 L HN 0.639 nan 8.230 nan 0.000 0.436 466 T N 0.308 114.864 114.554 0.003 0.000 2.934 466 T HA 0.462 4.811 4.350 -0.001 0.000 0.283 466 T C -2.481 172.146 174.700 -0.122 0.000 1.005 466 T CA -2.331 59.745 62.100 -0.040 0.000 1.041 466 T CB 1.288 70.118 68.868 -0.062 0.000 1.042 466 T HN 0.142 nan 8.240 nan 0.000 0.505 467 P HA 0.195 nan 4.420 nan 0.000 0.260 467 P C -0.713 176.211 177.300 -0.626 0.000 1.172 467 P CA 0.292 62.995 63.100 -0.663 0.000 0.760 467 P CB 0.338 31.768 31.700 -0.448 0.000 0.773 468 S N 3.742 118.930 115.700 -0.854 0.000 2.548 468 S HA 0.553 5.023 4.470 -0.001 0.000 0.276 468 S C -1.257 173.141 174.600 -0.336 0.000 1.129 468 S CA -0.797 57.156 58.200 -0.411 0.000 0.931 468 S CB 0.286 63.356 63.200 -0.217 0.000 1.068 468 S HN 0.179 nan 8.310 nan 0.000 0.480 469 F N 4.125 123.894 119.950 -0.302 0.000 2.412 469 F HA 0.653 5.179 4.527 -0.001 0.000 0.348 469 F C 0.218 175.882 175.800 -0.226 0.000 1.102 469 F CA 0.208 58.057 58.000 -0.251 0.000 1.196 469 F CB 1.296 40.161 39.000 -0.226 0.000 1.144 469 F HN 0.536 nan 8.300 nan 0.000 0.541 470 S N 4.791 119.723 115.700 -1.280 0.000 2.571 470 S HA 0.434 4.904 4.470 -0.001 0.000 0.284 470 S C 0.235 174.091 174.600 -1.240 0.000 1.128 470 S CA -0.787 56.852 58.200 -0.936 0.000 0.970 470 S CB 1.432 64.273 63.200 -0.599 0.000 1.039 470 S HN 0.543 nan 8.310 nan 0.000 0.485 471 V N 4.750 124.163 119.914 -0.836 0.000 2.358 471 V HA -0.122 3.998 4.120 -0.001 0.000 0.246 471 V C 2.707 178.534 176.094 -0.444 0.000 1.047 471 V CA 2.448 64.377 62.300 -0.619 0.000 1.035 471 V CB -1.059 30.390 31.823 -0.624 0.000 0.658 471 V HN 0.995 nan 8.190 nan 0.000 0.452 472 S N -0.188 115.288 115.700 -0.374 0.000 2.382 472 S HA -0.168 4.302 4.470 -0.001 0.000 0.228 472 S C 1.942 176.519 174.600 -0.040 0.000 1.027 472 S CA 1.634 59.802 58.200 -0.055 0.000 0.991 472 S CB -0.617 62.559 63.200 -0.041 0.000 0.823 472 S HN 0.320 nan 8.310 nan 0.000 0.469 473 V N 2.572 122.267 119.914 -0.365 0.000 2.323 473 V HA -0.038 4.081 4.120 -0.001 0.000 0.244 473 V C 3.123 178.962 176.094 -0.424 0.000 1.041 473 V CA 1.539 63.545 62.300 -0.490 0.000 1.025 473 V CB -1.440 29.882 31.823 -0.834 0.000 0.656 473 V HN 0.649 nan 8.190 nan 0.000 0.451 474 A N 0.136 122.548 122.820 -0.680 0.000 2.024 474 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 474 A C 2.029 179.430 177.584 -0.305 0.000 1.164 474 A CA 1.952 53.531 52.037 -0.762 0.000 0.643 474 A CB -0.611 17.469 19.000 -1.534 0.000 0.806 474 A HN 0.608 nan 8.150 nan 0.000 0.451 475 N N -1.359 117.269 118.700 -0.119 0.000 2.354 475 N HA -0.113 4.626 4.740 -0.001 0.000 0.179 475 N C 1.536 177.065 175.510 0.031 0.000 1.021 475 N CA 0.919 54.037 53.050 0.114 0.000 0.887 475 N CB -0.280 38.339 38.487 0.220 0.000 0.974 475 N HN 0.862 nan 8.380 nan 0.000 0.437 476 W N 1.941 123.058 121.300 -0.304 0.000 2.436 476 W HA 0.002 4.662 4.660 -0.000 0.000 0.284 476 W C 1.331 177.723 176.519 -0.211 0.000 1.225 476 W CA 0.443 57.521 57.345 -0.446 0.000 1.271 476 W CB -0.007 29.079 29.460 -0.623 0.000 1.114 476 W HN -0.015 nan 8.180 nan 0.000 0.559 477 L N 0.485 121.663 121.223 -0.075 0.000 2.093 477 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 477 L C 2.057 178.941 176.870 0.023 0.000 1.085 477 L CA 1.317 56.142 54.840 -0.025 0.000 0.755 477 L CB -0.956 41.132 42.059 0.048 0.000 0.904 477 L HN -0.174 nan 8.230 nan 0.000 0.435 478 D N 0.315 120.759 120.400 0.073 0.000 2.183 478 D HA -0.073 4.567 4.640 -0.001 0.000 0.203 478 D C 2.226 178.489 176.300 -0.062 0.000 0.969 478 D CA 0.924 54.983 54.000 0.098 0.000 0.842 478 D CB 0.064 40.984 40.800 0.201 0.000 0.957 478 D HN 0.315 nan 8.370 nan 0.000 0.484 479 L N -0.156 120.951 121.223 -0.193 0.000 2.622 479 L HA 0.069 4.409 4.340 -0.001 0.000 0.233 479 L C 1.544 178.156 176.870 -0.429 0.000 1.156 479 L CA 0.588 55.236 54.840 -0.320 0.000 0.866 479 L CB -0.258 41.541 42.059 -0.433 0.000 0.980 479 L HN 0.152 nan 8.230 nan 0.000 0.448 480 G N -0.628 107.957 108.800 -0.359 0.000 2.176 480 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.232 480 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.232 480 G C 0.542 175.191 174.900 -0.419 0.000 0.986 480 G CA -0.223 44.690 45.100 -0.313 0.000 0.643 480 G HN 0.511 nan 8.290 nan 0.000 0.522 481 G N -0.952 107.373 108.800 -0.792 0.000 2.562 481 G HA2 0.631 4.590 3.960 -0.001 0.000 0.275 481 G HA3 0.631 4.590 3.960 -0.001 0.000 0.275 481 G C -0.159 174.599 174.900 -0.237 0.000 1.196 481 G CA 0.161 44.727 45.100 -0.891 0.000 0.908 481 G HN 0.939 nan 8.290 nan 0.000 0.524 482 V N 0.291 120.300 119.914 0.159 0.000 2.581 482 V HA 0.403 4.523 4.120 -0.001 0.000 0.303 482 V C -1.138 175.250 176.094 0.490 0.000 1.041 482 V CA -0.683 61.798 62.300 0.303 0.000 0.907 482 V CB 1.556 33.492 31.823 0.188 0.000 0.994 482 V HN 0.631 nan 8.190 nan 0.000 0.442 483 Y N 3.231 123.649 120.300 0.197 0.000 2.331 483 Y HA 0.748 5.297 4.550 -0.001 0.000 0.334 483 Y C -0.064 175.789 175.900 -0.078 0.000 0.960 483 Y CA -0.858 57.277 58.100 0.058 0.000 1.130 483 Y CB 1.533 39.978 38.460 -0.025 0.000 1.164 483 Y HN 0.726 nan 8.280 nan 0.000 0.458 484 A N 5.471 127.995 122.820 -0.493 0.000 2.330 484 A HA 0.772 5.092 4.320 -0.001 0.000 0.313 484 A C -1.830 175.475 177.584 -0.465 0.000 1.124 484 A CA -0.657 51.135 52.037 -0.407 0.000 0.774 484 A CB 1.013 19.866 19.000 -0.246 0.000 1.198 484 A HN 0.498 nan 8.150 nan 0.000 0.465 485 V N 2.192 121.900 119.914 -0.343 0.000 2.378 485 V HA 0.638 4.758 4.120 -0.001 0.000 0.288 485 V C 0.495 176.616 176.094 0.045 0.000 1.016 485 V CA -0.362 61.873 62.300 -0.108 0.000 0.840 485 V CB 1.245 33.042 31.823 -0.043 0.000 0.994 485 V HN 1.156 nan 8.190 nan 0.000 0.431 486 A N 4.141 127.052 122.820 0.152 0.000 2.290 486 A HA 0.547 4.867 4.320 -0.001 0.000 0.310 486 A C 0.309 178.045 177.584 0.253 0.000 1.202 486 A CA -0.592 51.591 52.037 0.243 0.000 0.837 486 A CB 0.265 19.481 19.000 0.361 0.000 1.139 486 A HN 0.765 nan 8.150 nan 0.000 0.509 487 N N 3.274 122.131 118.700 0.261 0.000 3.298 487 N HA 0.186 4.925 4.740 -0.001 0.000 0.292 487 N C -0.189 175.620 175.510 0.498 0.000 1.271 487 N CA 0.089 53.322 53.050 0.304 0.000 1.184 487 N CB 0.186 38.796 38.487 0.206 0.000 1.452 487 N HN 0.610 nan 8.380 nan 0.000 0.534 488 L N 0.553 121.992 121.223 0.361 0.000 2.483 488 L HA 0.073 4.413 4.340 -0.001 0.000 0.277 488 L C 1.452 178.375 176.870 0.088 0.000 1.248 488 L CA 0.086 55.067 54.840 0.235 0.000 0.825 488 L CB 0.350 42.460 42.059 0.084 0.000 1.096 488 L HN 0.140 nan 8.230 nan 0.000 0.512 489 R N 0.094 120.336 120.500 -0.430 0.000 2.679 489 R HA 0.278 4.617 4.340 -0.001 0.000 0.269 489 R C 1.032 177.078 176.300 -0.424 0.000 1.076 489 R CA 0.818 56.310 56.100 -1.014 0.000 1.160 489 R CB 0.380 30.056 30.300 -1.041 0.000 1.054 489 R HN 0.923 nan 8.270 nan 0.000 0.507 490 G N 0.212 108.833 108.800 -0.299 0.000 2.308 490 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.221 490 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.221 490 G C 0.460 175.409 174.900 0.082 0.000 1.032 490 G CA -0.261 44.794 45.100 -0.075 0.000 0.623 490 G HN 0.881 nan 8.290 nan 0.000 0.506 491 G N -0.433 108.457 108.800 0.149 0.000 2.563 491 G HA2 0.574 4.534 3.960 -0.001 0.000 0.283 491 G HA3 0.574 4.534 3.960 -0.001 0.000 0.283 491 G C 0.968 176.061 174.900 0.321 0.000 1.309 491 G CA 0.207 45.455 45.100 0.247 0.000 1.022 491 G HN 1.321 nan 8.290 nan 0.000 0.501 492 G N -1.405 107.508 108.800 0.188 0.000 3.502 492 G HA2 0.289 4.249 3.960 -0.001 0.000 0.267 492 G HA3 0.289 4.249 3.960 -0.001 0.000 0.267 492 G C 0.862 175.783 174.900 0.036 0.000 1.090 492 G CA 0.069 45.252 45.100 0.139 0.000 0.795 492 G HN 0.517 nan 8.290 nan 0.000 0.535 493 E N 0.095 120.263 120.200 -0.053 0.000 2.160 493 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 493 E C 0.244 176.352 176.600 -0.820 0.000 0.991 493 E CA 1.087 57.198 56.400 -0.481 0.000 0.810 493 E CB -0.142 29.169 29.700 -0.648 0.000 0.742 493 E HN 0.600 nan 8.360 nan 0.000 0.466 494 Y N -0.496 119.585 120.300 -0.366 0.000 2.699 494 Y HA 0.442 4.992 4.550 -0.001 0.000 0.282 494 Y C 0.761 176.679 175.900 0.030 0.000 1.058 494 Y CA -0.080 57.870 58.100 -0.250 0.000 1.194 494 Y CB 0.769 38.913 38.460 -0.526 0.000 1.193 494 Y HN 0.092 nan 8.280 nan 0.000 0.562 495 G N 0.269 109.154 108.800 0.141 0.000 2.725 495 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.220 495 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.220 495 G C 0.689 175.734 174.900 0.242 0.000 1.357 495 G CA 0.105 45.304 45.100 0.164 0.000 0.866 495 G HN 0.327 nan 8.290 nan 0.000 0.548 496 Q N -0.575 119.342 119.800 0.194 0.000 2.152 496 Q HA -0.092 4.248 4.340 -0.001 0.000 0.206 496 Q C 3.047 179.169 176.000 0.203 0.000 0.985 496 Q CA 2.781 58.712 55.803 0.214 0.000 0.863 496 Q CB -0.435 28.394 28.738 0.150 0.000 0.904 496 Q HN 1.290 nan 8.270 nan 0.000 0.422 497 A N 0.497 123.433 122.820 0.193 0.000 1.902 497 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 497 A C 1.790 179.509 177.584 0.225 0.000 1.181 497 A CA 1.203 53.339 52.037 0.166 0.000 0.623 497 A CB -1.305 17.793 19.000 0.164 0.000 0.818 497 A HN 0.786 nan 8.150 nan 0.000 0.443 498 W N -0.235 121.130 121.300 0.109 0.000 2.381 498 W HA -0.181 4.478 4.660 -0.001 0.000 0.301 498 W C 2.214 178.810 176.519 0.129 0.000 1.205 498 W CA 1.739 59.161 57.345 0.128 0.000 1.285 498 W CB -0.477 29.107 29.460 0.206 0.000 1.133 498 W HN 0.725 nan 8.180 nan 0.000 0.521 499 H N 0.204 119.383 119.070 0.181 0.000 2.270 499 H HA -0.194 4.362 4.556 -0.001 0.000 0.299 499 H C 2.446 177.742 175.328 -0.053 0.000 1.077 499 H CA 2.038 58.117 56.048 0.051 0.000 1.294 499 H CB -0.460 29.362 29.762 0.099 0.000 1.371 499 H HN 0.049 nan 8.280 nan 0.000 0.491 500 L N 0.567 121.697 121.223 -0.155 0.000 2.191 500 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 500 L C 2.747 179.476 176.870 -0.236 0.000 1.103 500 L CA 0.674 55.341 54.840 -0.289 0.000 0.769 500 L CB -0.378 41.566 42.059 -0.193 0.000 0.908 500 L HN 0.381 nan 8.230 nan 0.000 0.438 501 A N -0.190 122.516 122.820 -0.191 0.000 2.239 501 A HA 0.106 4.425 4.320 -0.001 0.000 0.209 501 A C 1.767 179.183 177.584 -0.280 0.000 1.171 501 A CA 1.146 53.049 52.037 -0.224 0.000 0.768 501 A CB -0.504 18.352 19.000 -0.240 0.000 0.790 501 A HN 0.430 nan 8.150 nan 0.000 0.478 502 G N -0.691 107.941 108.800 -0.280 0.000 3.839 502 G HA2 0.369 4.328 3.960 -0.001 0.000 0.286 502 G HA3 0.369 4.328 3.960 -0.001 0.000 0.286 502 G C 0.370 175.100 174.900 -0.283 0.000 1.005 502 G CA 0.648 45.568 45.100 -0.300 0.000 0.824 502 G HN 0.533 nan 8.290 nan 0.000 0.489 503 T N -2.993 111.383 114.554 -0.298 0.000 2.950 503 T HA 0.575 4.924 4.350 -0.001 0.000 0.288 503 T C 0.661 175.197 174.700 -0.273 0.000 1.035 503 T CA -0.149 61.767 62.100 -0.308 0.000 1.028 503 T CB 2.321 70.930 68.868 -0.431 0.000 1.109 503 T HN 0.271 nan 8.240 nan 0.000 0.514 504 Q N 0.495 120.177 119.800 -0.196 0.000 2.267 504 Q HA -0.347 3.992 4.340 -0.001 0.000 0.429 504 Q C 1.090 176.882 176.000 -0.346 0.000 0.637 504 Q CA 2.061 57.758 55.803 -0.176 0.000 0.942 504 Q CB -1.235 27.364 28.738 -0.231 0.000 2.719 504 Q HN 0.907 nan 8.270 nan 0.000 0.927 505 Q N 1.148 120.602 119.800 -0.577 0.000 2.307 505 Q HA 0.079 4.418 4.340 -0.001 0.000 0.216 505 Q C 0.401 175.916 176.000 -0.807 0.000 0.931 505 Q CA 0.289 55.357 55.803 -1.224 0.000 0.953 505 Q CB -0.143 28.083 28.738 -0.853 0.000 1.006 505 Q HN 0.320 nan 8.270 nan 0.000 0.472 506 N N -0.802 117.648 118.700 -0.417 0.000 2.143 506 N HA -0.005 4.735 4.740 -0.001 0.000 0.222 506 N C 1.019 176.421 175.510 -0.179 0.000 1.264 506 N CA -0.151 52.772 53.050 -0.212 0.000 0.897 506 N CB 0.465 38.813 38.487 -0.232 0.000 1.092 506 N HN -0.087 nan 8.380 nan 0.000 0.516 507 K N 1.761 122.063 120.400 -0.163 0.000 2.228 507 K HA -0.205 4.114 4.320 -0.001 0.000 0.205 507 K C 1.983 178.180 176.600 -0.672 0.000 1.045 507 K CA 1.390 57.441 56.287 -0.392 0.000 0.931 507 K CB -0.058 32.227 32.500 -0.358 0.000 0.727 507 K HN 0.066 nan 8.250 nan 0.000 0.458 508 Q N 0.496 120.139 119.800 -0.262 0.000 2.226 508 Q HA -0.080 4.260 4.340 -0.001 0.000 0.204 508 Q C 1.287 177.158 176.000 -0.216 0.000 0.975 508 Q CA 1.545 57.226 55.803 -0.203 0.000 0.866 508 Q CB -0.281 28.470 28.738 0.023 0.000 0.915 508 Q HN 0.374 nan 8.270 nan 0.000 0.440 509 N N -0.781 117.784 118.700 -0.226 0.000 2.149 509 N HA -0.129 4.611 4.740 -0.001 0.000 0.188 509 N C 1.570 176.936 175.510 -0.239 0.000 1.019 509 N CA 1.485 54.418 53.050 -0.196 0.000 0.857 509 N CB -0.274 38.080 38.487 -0.223 0.000 0.997 509 N HN 0.168 nan 8.380 nan 0.000 0.426 510 V N 0.885 120.549 119.914 -0.417 0.000 2.295 510 V HA -0.193 3.926 4.120 -0.001 0.000 0.246 510 V C 1.881 177.860 176.094 -0.192 0.000 1.049 510 V CA 1.357 63.420 62.300 -0.396 0.000 1.024 510 V CB -0.718 30.739 31.823 -0.609 0.000 0.648 510 V HN 0.079 nan 8.190 nan 0.000 0.447 511 F N 0.661 120.552 119.950 -0.098 0.000 2.186 511 F HA -0.087 4.440 4.527 -0.001 0.000 0.299 511 F C 2.284 178.117 175.800 0.055 0.000 1.090 511 F CA 0.901 58.885 58.000 -0.027 0.000 1.307 511 F CB -1.104 37.842 39.000 -0.089 0.000 1.019 511 F HN 0.218 nan 8.300 nan 0.000 0.489 512 D N 0.222 120.722 120.400 0.168 0.000 2.144 512 D HA -0.139 4.501 4.640 -0.001 0.000 0.200 512 D C 1.786 178.183 176.300 0.162 0.000 0.978 512 D CA 1.298 55.378 54.000 0.133 0.000 0.833 512 D CB -0.415 40.428 40.800 0.072 0.000 0.961 512 D HN 0.202 nan 8.370 nan 0.000 0.470 513 D N -0.077 120.417 120.400 0.155 0.000 2.117 513 D HA -0.144 4.496 4.640 -0.001 0.000 0.197 513 D C 1.824 178.343 176.300 0.365 0.000 0.987 513 D CA 0.438 54.594 54.000 0.260 0.000 0.829 513 D CB -0.423 40.479 40.800 0.170 0.000 0.961 513 D HN 0.136 nan 8.370 nan 0.000 0.460 514 F N 1.228 121.247 119.950 0.116 0.000 2.134 514 F HA -0.061 4.466 4.527 -0.001 0.000 0.299 514 F C 2.234 178.048 175.800 0.023 0.000 1.097 514 F CA 0.687 58.730 58.000 0.071 0.000 1.264 514 F CB -0.432 38.612 39.000 0.073 0.000 1.001 514 F HN -0.119 nan 8.300 nan 0.000 0.479 515 I N -0.235 120.408 120.570 0.121 0.000 2.208 515 I HA -0.326 3.844 4.170 -0.001 0.000 0.245 515 I C 2.568 178.647 176.117 -0.064 0.000 1.097 515 I CA 1.284 62.581 61.300 -0.006 0.000 1.363 515 I CB -0.809 37.230 38.000 0.066 0.000 1.051 515 I HN 0.153 nan 8.210 nan 0.000 0.413 516 A N 0.511 123.334 122.820 0.006 0.000 1.969 516 A HA -0.089 4.230 4.320 -0.001 0.000 0.218 516 A C 2.503 179.861 177.584 -0.378 0.000 1.169 516 A CA 1.622 53.648 52.037 -0.018 0.000 0.635 516 A CB -0.641 18.500 19.000 0.236 0.000 0.810 516 A HN 0.434 nan 8.150 nan 0.000 0.445 517 A N -0.083 122.350 122.820 -0.644 0.000 1.930 517 A HA 0.230 4.550 4.320 -0.001 0.000 0.217 517 A C 2.480 179.796 177.584 -0.446 0.000 1.175 517 A CA 1.770 53.224 52.037 -0.972 0.000 0.627 517 A CB -0.934 17.684 19.000 -0.637 0.000 0.815 517 A HN 0.977 nan 8.150 nan 0.000 0.443 518 A N 0.181 122.774 122.820 -0.377 0.000 1.908 518 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 518 A C 1.896 179.399 177.584 -0.136 0.000 1.181 518 A CA 1.743 53.624 52.037 -0.260 0.000 0.627 518 A CB -0.575 18.264 19.000 -0.268 0.000 0.818 518 A HN 0.645 nan 8.150 nan 0.000 0.445 519 E N -1.865 118.269 120.200 -0.109 0.000 2.106 519 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 519 E C 1.858 178.455 176.600 -0.005 0.000 0.984 519 E CA 1.339 57.714 56.400 -0.041 0.000 0.806 519 E CB -0.308 29.387 29.700 -0.008 0.000 0.750 519 E HN 0.806 nan 8.360 nan 0.000 0.458 520 Y N 1.549 121.762 120.300 -0.145 0.000 2.145 520 Y HA -0.190 4.359 4.550 -0.001 0.000 0.286 520 Y C 1.964 177.866 175.900 0.004 0.000 1.145 520 Y CA 1.358 59.417 58.100 -0.067 0.000 1.148 520 Y CB -0.139 38.237 38.460 -0.140 0.000 0.981 520 Y HN -0.071 nan 8.280 nan 0.000 0.507 521 L N 0.133 121.409 121.223 0.088 0.000 2.079 521 L HA -0.278 4.062 4.340 -0.001 0.000 0.210 521 L C 2.324 179.228 176.870 0.055 0.000 1.081 521 L CA 1.853 56.757 54.840 0.105 0.000 0.752 521 L CB -0.507 41.570 42.059 0.030 0.000 0.896 521 L HN 0.221 nan 8.230 nan 0.000 0.433 522 K N -0.107 120.284 120.400 -0.015 0.000 2.031 522 K HA -0.041 4.279 4.320 -0.001 0.000 0.205 522 K C 2.270 178.827 176.600 -0.072 0.000 1.049 522 K CA 1.160 57.429 56.287 -0.031 0.000 0.939 522 K CB -0.271 32.210 32.500 -0.032 0.000 0.717 522 K HN 0.229 nan 8.250 nan 0.000 0.438 523 A N 1.728 124.485 122.820 -0.104 0.000 1.972 523 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 523 A C 1.631 179.096 177.584 -0.198 0.000 1.169 523 A CA 1.425 53.383 52.037 -0.132 0.000 0.635 523 A CB -0.179 18.747 19.000 -0.122 0.000 0.810 523 A HN 0.152 nan 8.150 nan 0.000 0.446 524 E N -1.255 118.775 120.200 -0.283 0.000 2.489 524 E HA 0.182 4.532 4.350 -0.001 0.000 0.193 524 E C 1.273 177.671 176.600 -0.336 0.000 1.057 524 E CA 0.648 56.852 56.400 -0.327 0.000 0.866 524 E CB -0.195 29.266 29.700 -0.398 0.000 0.916 524 E HN 0.786 nan 8.360 nan 0.000 0.500 525 G N 0.800 109.465 108.800 -0.225 0.000 2.179 525 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.260 525 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.260 525 G C 0.796 175.557 174.900 -0.231 0.000 0.977 525 G CA 0.519 45.487 45.100 -0.219 0.000 0.641 525 G HN 0.306 nan 8.290 nan 0.000 0.533 526 Y N 0.350 120.586 120.300 -0.107 0.000 2.200 526 Y HA 0.295 4.845 4.550 -0.001 0.000 0.290 526 Y C 2.135 177.989 175.900 -0.076 0.000 1.137 526 Y CA 2.260 60.298 58.100 -0.102 0.000 1.163 526 Y CB -0.005 38.416 38.460 -0.065 0.000 0.988 526 Y HN 0.460 nan 8.280 nan 0.000 0.518 527 T N -1.281 113.331 114.554 0.097 0.000 2.648 527 T HA 0.579 4.929 4.350 -0.001 0.000 0.304 527 T C -1.600 173.113 174.700 0.022 0.000 1.312 527 T CA -1.003 61.131 62.100 0.057 0.000 1.023 527 T CB 1.281 70.199 68.868 0.083 0.000 1.612 527 T HN 0.181 nan 8.240 nan 0.000 0.487 528 R N -0.384 120.128 120.500 0.019 0.000 2.817 528 R HA 0.597 4.937 4.340 -0.001 0.000 0.268 528 R C 0.602 176.906 176.300 0.007 0.000 1.027 528 R CA -0.551 55.550 56.100 0.002 0.000 0.928 528 R CB 0.206 30.501 30.300 -0.008 0.000 1.228 528 R HN 0.509 nan 8.270 nan 0.000 0.469 529 T N 0.635 115.188 114.554 -0.002 0.000 2.685 529 T HA -0.223 4.127 4.350 -0.001 0.000 0.268 529 T C 0.918 175.620 174.700 0.003 0.000 1.034 529 T CA 2.404 64.503 62.100 -0.002 0.000 1.149 529 T CB -0.551 68.314 68.868 -0.004 0.000 0.860 529 T HN 0.815 nan 8.240 nan 0.000 0.449 530 D N 0.128 120.530 120.400 0.003 0.000 2.363 530 D HA -0.044 4.596 4.640 -0.001 0.000 0.226 530 D C 1.514 177.830 176.300 0.026 0.000 1.020 530 D CA 0.306 54.306 54.000 0.001 0.000 0.892 530 D CB -0.032 40.761 40.800 -0.010 0.000 0.900 530 D HN 0.133 nan 8.370 nan 0.000 0.531 531 R N -0.179 120.350 120.500 0.049 0.000 2.613 531 R HA 0.312 4.652 4.340 -0.001 0.000 0.361 531 R C -0.633 175.738 176.300 0.119 0.000 1.072 531 R CA -0.524 55.639 56.100 0.106 0.000 1.089 531 R CB 0.387 30.748 30.300 0.102 0.000 1.343 531 R HN 0.212 nan 8.270 nan 0.000 0.571 532 L N 0.622 121.891 121.223 0.077 0.000 2.333 532 L HA 0.703 5.043 4.340 -0.001 0.000 0.280 532 L C -1.064 175.844 176.870 0.063 0.000 1.004 532 L CA -0.708 54.172 54.840 0.065 0.000 0.820 532 L CB 1.796 43.864 42.059 0.015 0.000 1.247 532 L HN 0.082 nan 8.230 nan 0.000 0.416 533 A N 6.246 129.114 122.820 0.080 0.000 2.355 533 A HA 0.794 5.113 4.320 -0.001 0.000 0.317 533 A C -0.781 176.845 177.584 0.069 0.000 1.094 533 A CA -0.623 51.462 52.037 0.080 0.000 0.764 533 A CB 0.976 20.032 19.000 0.093 0.000 1.230 533 A HN 0.829 nan 8.150 nan 0.000 0.448 534 I N -0.426 120.202 120.570 0.098 0.000 2.493 534 I HA 0.873 5.042 4.170 -0.001 0.000 0.298 534 I C -0.303 175.944 176.117 0.217 0.000 0.998 534 I CA -0.811 60.584 61.300 0.158 0.000 1.137 534 I CB 1.748 39.862 38.000 0.191 0.000 1.310 534 I HN 0.751 nan 8.210 nan 0.000 0.445 535 R N 3.442 124.110 120.500 0.280 0.000 2.771 535 R HA 0.868 5.208 4.340 -0.001 0.000 0.274 535 R C -1.077 175.348 176.300 0.208 0.000 0.987 535 R CA -0.666 55.592 56.100 0.263 0.000 0.908 535 R CB 2.516 33.001 30.300 0.308 0.000 1.213 535 R HN 1.101 nan 8.270 nan 0.000 0.468 536 G N -0.005 108.882 108.800 0.144 0.000 2.579 536 G HA2 0.471 4.430 3.960 -0.001 0.000 0.292 536 G HA3 0.471 4.430 3.960 -0.001 0.000 0.292 536 G C -1.645 173.304 174.900 0.082 0.000 1.484 536 G CA -0.445 44.634 45.100 -0.036 0.000 0.813 536 G HN 0.706 nan 8.290 nan 0.000 0.515 537 G N -0.436 108.436 108.800 0.120 0.000 2.609 537 G HA2 0.672 4.632 3.960 -0.001 0.000 0.308 537 G HA3 0.672 4.632 3.960 -0.001 0.000 0.308 537 G C 0.394 175.341 174.900 0.079 0.000 1.369 537 G CA 0.964 46.135 45.100 0.118 0.000 0.958 537 G HN 1.718 nan 8.290 nan 0.000 0.499 538 S N 1.328 117.022 115.700 -0.011 0.000 4.158 538 S HA -0.345 4.124 4.470 -0.001 0.000 0.578 538 S C 1.967 176.443 174.600 -0.206 0.000 1.866 538 S CA 1.122 59.266 58.200 -0.093 0.000 4.250 538 S CB -1.313 61.858 63.200 -0.049 0.000 0.204 538 S HN 0.853 nan 8.310 nan 0.000 0.455 539 N N 2.398 120.910 118.700 -0.313 0.000 2.331 539 N HA -0.040 4.700 4.740 -0.001 0.000 0.180 539 N C 1.628 176.871 175.510 -0.444 0.000 1.019 539 N CA 1.442 54.236 53.050 -0.425 0.000 0.881 539 N CB -0.510 37.548 38.487 -0.715 0.000 0.972 539 N HN 0.617 nan 8.380 nan 0.000 0.435 540 G N -0.208 108.355 108.800 -0.395 0.000 2.511 540 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.217 540 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.217 540 G C 1.406 176.181 174.900 -0.209 0.000 1.133 540 G CA 0.644 45.562 45.100 -0.303 0.000 0.792 540 G HN 0.401 nan 8.290 nan 0.000 0.539 541 G N 0.887 109.595 108.800 -0.154 0.000 2.408 541 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.215 541 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.215 541 G C 1.671 176.463 174.900 -0.181 0.000 1.156 541 G CA 0.910 45.936 45.100 -0.122 0.000 0.793 541 G HN 0.397 nan 8.290 nan 0.000 0.535 542 L N 0.469 121.569 121.223 -0.206 0.000 2.056 542 L HA 0.100 4.439 4.340 -0.001 0.000 0.207 542 L C 2.468 179.232 176.870 -0.176 0.000 1.078 542 L CA 1.615 56.332 54.840 -0.204 0.000 0.749 542 L CB -0.688 41.276 42.059 -0.157 0.000 0.901 542 L HN 0.165 nan 8.230 nan 0.000 0.433 543 L N -0.854 120.288 121.223 -0.134 0.000 2.013 543 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 543 L C 2.369 179.129 176.870 -0.184 0.000 1.073 543 L CA 2.152 56.923 54.840 -0.116 0.000 0.753 543 L CB -0.865 40.987 42.059 -0.345 0.000 0.890 543 L HN 0.137 nan 8.230 nan 0.000 0.432 544 V N 0.197 120.026 119.914 -0.142 0.000 2.295 544 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 544 V C 2.633 178.705 176.094 -0.038 0.000 1.049 544 V CA 1.820 64.115 62.300 -0.008 0.000 1.024 544 V CB -1.588 30.260 31.823 0.041 0.000 0.648 544 V HN 0.658 nan 8.190 nan 0.000 0.447 545 G N -0.598 108.116 108.800 -0.144 0.000 2.422 545 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.218 545 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.218 545 G C 1.715 176.481 174.900 -0.225 0.000 1.146 545 G CA 1.086 46.051 45.100 -0.225 0.000 0.769 545 G HN 0.612 nan 8.290 nan 0.000 0.547 546 A N -0.019 122.568 122.820 -0.389 0.000 1.897 546 A HA 0.196 4.516 4.320 -0.001 0.000 0.215 546 A C 2.562 179.898 177.584 -0.415 0.000 1.181 546 A CA 1.586 53.259 52.037 -0.606 0.000 0.620 546 A CB -0.444 17.563 19.000 -1.655 0.000 0.821 546 A HN 0.225 nan 8.150 nan 0.000 0.443 547 V N 1.017 120.768 119.914 -0.272 0.000 2.453 547 V HA -0.279 3.840 4.120 -0.001 0.000 0.247 547 V C 2.730 178.845 176.094 0.035 0.000 1.048 547 V CA 2.102 64.374 62.300 -0.048 0.000 1.049 547 V CB -0.881 31.030 31.823 0.147 0.000 0.672 547 V HN 0.822 nan 8.190 nan 0.000 0.457 548 M N 0.952 120.596 119.600 0.073 0.000 2.394 548 M HA -0.084 4.395 4.480 -0.001 0.000 0.264 548 M C 1.876 178.313 176.300 0.229 0.000 1.073 548 M CA 2.165 57.559 55.300 0.156 0.000 1.111 548 M CB -0.923 31.786 32.600 0.181 0.000 1.401 548 M HN 0.411 nan 8.290 nan 0.000 0.448 549 T N -2.157 112.494 114.554 0.161 0.000 3.035 549 T HA 0.100 4.449 4.350 -0.001 0.000 0.259 549 T C 1.752 176.548 174.700 0.160 0.000 1.078 549 T CA 0.645 62.881 62.100 0.227 0.000 1.132 549 T CB -0.151 68.803 68.868 0.143 0.000 0.900 549 T HN 0.577 nan 8.240 nan 0.000 0.480 550 Q N 0.345 120.184 119.800 0.064 0.000 2.204 550 Q HA 0.202 4.542 4.340 -0.001 0.000 0.198 550 Q C 0.671 176.701 176.000 0.049 0.000 0.946 550 Q CA 0.499 56.325 55.803 0.039 0.000 0.859 550 Q CB 0.436 29.171 28.738 -0.006 0.000 0.946 550 Q HN 0.187 nan 8.270 nan 0.000 0.474 551 R N 0.748 121.283 120.500 0.059 0.000 2.738 551 R HA 0.188 4.528 4.340 -0.001 0.000 0.280 551 R C -2.212 174.126 176.300 0.063 0.000 1.456 551 R CA -1.538 54.591 56.100 0.048 0.000 1.612 551 R CB 0.606 30.927 30.300 0.036 0.000 1.286 551 R HN 0.128 nan 8.270 nan 0.000 0.660 552 P HA -0.182 nan 4.420 nan 0.000 0.221 552 P C 0.564 177.888 177.300 0.040 0.000 1.145 552 P CA 1.236 64.386 63.100 0.083 0.000 0.795 552 P CB 0.281 31.962 31.700 -0.032 0.000 0.775 553 D N -0.705 119.705 120.400 0.017 0.000 2.347 553 D HA -0.083 4.557 4.640 -0.001 0.000 0.215 553 D C 1.797 178.104 176.300 0.012 0.000 0.976 553 D CA 0.192 54.199 54.000 0.012 0.000 0.884 553 D CB -0.627 40.175 40.800 0.003 0.000 0.915 553 D HN 0.125 nan 8.370 nan 0.000 0.526 554 L N 0.387 121.618 121.223 0.014 0.000 2.313 554 L HA 0.117 4.456 4.340 -0.001 0.000 0.214 554 L C 0.741 177.605 176.870 -0.009 0.000 1.119 554 L CA 0.668 55.507 54.840 -0.002 0.000 0.809 554 L CB -0.111 41.944 42.059 -0.008 0.000 0.933 554 L HN 0.173 nan 8.230 nan 0.000 0.449 555 M N -3.335 116.269 119.600 0.005 0.000 2.664 555 M HA 0.367 4.846 4.480 -0.001 0.000 0.279 555 M C 0.268 176.561 176.300 -0.011 0.000 1.275 555 M CA -0.647 54.653 55.300 0.001 0.000 0.829 555 M CB 1.539 34.146 32.600 0.012 0.000 1.727 555 M HN -0.278 nan 8.290 nan 0.000 0.459 556 R N 0.472 120.959 120.500 -0.022 0.000 2.175 556 R HA 0.537 4.877 4.340 -0.001 0.000 0.202 556 R C -0.629 175.617 176.300 -0.090 0.000 1.018 556 R CA 0.980 57.029 56.100 -0.085 0.000 1.029 556 R CB 0.298 30.566 30.300 -0.053 0.000 0.959 556 R HN 0.560 nan 8.270 nan 0.000 0.480 557 V N 0.476 120.392 119.914 0.005 0.000 2.760 557 V HA 0.752 4.872 4.120 -0.001 0.000 0.309 557 V C -1.163 175.004 176.094 0.122 0.000 1.077 557 V CA -0.872 61.469 62.300 0.068 0.000 0.910 557 V CB 1.706 33.582 31.823 0.089 0.000 1.008 557 V HN 0.214 nan 8.190 nan 0.000 0.424 558 A N 5.267 128.186 122.820 0.165 0.000 2.343 558 A HA 0.918 5.237 4.320 -0.001 0.000 0.316 558 A C -0.895 176.797 177.584 0.180 0.000 1.104 558 A CA -0.451 51.685 52.037 0.164 0.000 0.768 558 A CB 0.982 20.076 19.000 0.157 0.000 1.213 558 A HN 0.834 nan 8.150 nan 0.000 0.456 559 L N 4.411 125.731 121.223 0.161 0.000 2.495 559 L HA 0.334 4.673 4.340 -0.001 0.000 0.248 559 L C -2.423 174.514 176.870 0.112 0.000 1.229 559 L CA -1.473 53.448 54.840 0.136 0.000 0.942 559 L CB 1.506 43.648 42.059 0.138 0.000 1.242 559 L HN 0.468 nan 8.230 nan 0.000 0.484 560 P HA 0.268 nan 4.420 nan 0.000 0.286 560 P C -0.624 176.711 177.300 0.058 0.000 1.321 560 P CA -0.018 63.125 63.100 0.072 0.000 0.790 560 P CB 1.793 33.549 31.700 0.092 0.000 0.897 561 A N 3.875 126.724 122.820 0.047 0.000 2.304 561 A HA 0.450 4.769 4.320 -0.001 0.000 0.323 561 A C 0.702 178.299 177.584 0.023 0.000 1.195 561 A CA -0.736 51.327 52.037 0.042 0.000 0.826 561 A CB 0.572 19.605 19.000 0.057 0.000 1.184 561 A HN 0.332 nan 8.150 nan 0.000 0.496 562 V N 1.629 121.555 119.914 0.019 0.000 4.931 562 V HA -0.258 3.861 4.120 -0.001 0.000 0.254 562 V C 1.178 177.252 176.094 -0.032 0.000 0.620 562 V CA 1.078 63.381 62.300 0.005 0.000 0.715 562 V CB -2.247 29.586 31.823 0.017 0.000 0.589 562 V HN 1.383 nan 8.190 nan 0.000 0.982 563 G N -0.592 108.175 108.800 -0.054 0.000 2.507 563 G HA2 0.500 4.460 3.960 -0.001 0.000 0.271 563 G HA3 0.500 4.460 3.960 -0.001 0.000 0.271 563 G C -0.333 174.429 174.900 -0.229 0.000 1.189 563 G CA -0.421 44.597 45.100 -0.137 0.000 0.859 563 G HN 0.522 nan 8.290 nan 0.000 0.542 564 V N 2.026 121.734 119.914 -0.344 0.000 2.353 564 V HA 0.190 4.310 4.120 -0.001 0.000 0.264 564 V C 0.731 176.588 176.094 -0.396 0.000 1.049 564 V CA -0.017 61.923 62.300 -0.600 0.000 0.896 564 V CB 0.760 32.325 31.823 -0.429 0.000 1.025 564 V HN 0.654 nan 8.190 nan 0.000 0.475 565 L N 2.205 123.282 121.223 -0.242 0.000 2.781 565 L HA 0.399 4.738 4.340 -0.001 0.000 0.245 565 L C 0.618 177.485 176.870 -0.004 0.000 1.118 565 L CA 0.235 54.948 54.840 -0.212 0.000 0.918 565 L CB 0.528 42.337 42.059 -0.417 0.000 1.246 565 L HN 0.531 nan 8.230 nan 0.000 0.526 566 D N 0.707 121.317 120.400 0.351 0.000 2.479 566 D HA 0.168 4.808 4.640 -0.001 0.000 0.247 566 D C 1.004 177.557 176.300 0.422 0.000 1.119 566 D CA -0.237 53.973 54.000 0.350 0.000 0.922 566 D CB 0.941 41.963 40.800 0.370 0.000 1.014 566 D HN -0.093 nan 8.370 nan 0.000 0.510 567 M N 2.594 122.337 119.600 0.238 0.000 2.630 567 M HA -0.035 4.445 4.480 -0.001 0.000 0.254 567 M C 1.219 177.702 176.300 0.305 0.000 1.092 567 M CA 0.356 55.779 55.300 0.205 0.000 1.087 567 M CB -0.285 32.220 32.600 -0.160 0.000 1.453 567 M HN 0.338 nan 8.290 nan 0.000 0.509 568 L N -0.708 120.653 121.223 0.230 0.000 2.307 568 L HA 0.013 4.352 4.340 -0.001 0.000 0.211 568 L C 1.897 178.929 176.870 0.268 0.000 1.099 568 L CA 1.383 56.283 54.840 0.100 0.000 0.816 568 L CB -0.205 41.751 42.059 -0.171 0.000 0.952 568 L HN 0.232 nan 8.230 nan 0.000 0.455 569 R N -2.590 118.085 120.500 0.291 0.000 2.531 569 R HA 0.062 4.401 4.340 -0.001 0.000 0.316 569 R C 1.748 177.983 176.300 -0.109 0.000 0.955 569 R CA 0.031 56.145 56.100 0.024 0.000 1.120 569 R CB 0.087 30.361 30.300 -0.044 0.000 1.361 569 R HN 0.309 nan 8.270 nan 0.000 0.534 570 Y N 1.399 121.925 120.300 0.377 0.000 2.241 570 Y HA -0.291 4.259 4.550 -0.001 0.000 0.286 570 Y C 2.175 178.290 175.900 0.359 0.000 1.166 570 Y CA 1.851 60.313 58.100 0.603 0.000 1.203 570 Y CB -0.671 38.166 38.460 0.629 0.000 0.977 570 Y HN 0.161 nan 8.280 nan 0.000 0.529 571 H N -0.145 118.285 119.070 -1.066 0.000 2.529 571 H HA 0.045 4.601 4.556 -0.001 0.000 0.277 571 H C 1.605 176.688 175.328 -0.408 0.000 0.999 571 H CA 1.354 56.914 56.048 -0.813 0.000 1.256 571 H CB -1.204 28.051 29.762 -0.846 0.000 1.402 571 H HN 0.533 nan 8.280 nan 0.000 0.566 572 T N -2.287 111.632 114.554 -1.058 0.000 3.113 572 T HA 0.102 4.452 4.350 -0.001 0.000 0.256 572 T C 0.330 174.699 174.700 -0.550 0.000 1.131 572 T CA -0.288 61.309 62.100 -0.839 0.000 1.074 572 T CB -0.425 67.885 68.868 -0.929 0.000 0.944 572 T HN 0.016 nan 8.240 nan 0.000 0.516 573 F N 1.437 121.278 119.950 -0.182 0.000 2.461 573 F HA 0.572 5.099 4.527 -0.001 0.000 0.337 573 F C 1.972 177.711 175.800 -0.101 0.000 1.079 573 F CA -1.411 56.535 58.000 -0.090 0.000 1.032 573 F CB -0.207 38.790 39.000 -0.005 0.000 1.327 573 F HN -0.114 nan 8.300 nan 0.000 0.491 574 T N 1.029 115.704 114.554 0.201 0.000 2.406 574 T HA -0.359 3.991 4.350 -0.001 0.000 0.089 574 T C 1.438 176.118 174.700 -0.033 0.000 1.913 574 T CA 2.428 64.578 62.100 0.083 0.000 0.852 574 T CB -0.941 68.003 68.868 0.127 0.000 0.832 574 T HN 0.683 nan 8.240 nan 0.000 0.363 575 A N 0.760 123.549 122.820 -0.052 0.000 2.235 575 A HA 0.376 4.696 4.320 -0.001 0.000 0.208 575 A C 2.317 179.416 177.584 -0.808 0.000 1.172 575 A CA 1.316 53.252 52.037 -0.167 0.000 0.786 575 A CB -0.954 18.109 19.000 0.105 0.000 0.804 575 A HN 0.800 nan 8.150 nan 0.000 0.479 576 G N 0.286 108.589 108.800 -0.828 0.000 2.448 576 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.219 576 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.219 576 G C 1.626 176.270 174.900 -0.427 0.000 1.127 576 G CA 1.708 46.215 45.100 -0.988 0.000 0.766 576 G HN 0.682 nan 8.290 nan 0.000 0.552 577 T N -1.892 112.491 114.554 -0.286 0.000 2.977 577 T HA 0.108 4.457 4.350 -0.001 0.000 0.271 577 T C 2.088 176.762 174.700 -0.044 0.000 1.105 577 T CA 1.375 63.406 62.100 -0.115 0.000 1.116 577 T CB -0.062 68.735 68.868 -0.117 0.000 0.878 577 T HN 0.206 nan 8.240 nan 0.000 0.509 578 G N -0.544 108.175 108.800 -0.135 0.000 3.189 578 G HA2 0.228 4.188 3.960 -0.001 0.000 0.225 578 G HA3 0.228 4.188 3.960 -0.001 0.000 0.225 578 G C 0.547 175.653 174.900 0.342 0.000 1.159 578 G CA -0.488 44.691 45.100 0.131 0.000 0.763 578 G HN 0.535 nan 8.290 nan 0.000 0.549 579 W N 0.191 121.737 121.300 0.410 0.000 3.123 579 W HA 0.505 5.164 4.660 -0.001 0.000 0.383 579 W C 1.602 178.323 176.519 0.336 0.000 1.102 579 W CA -0.901 56.688 57.345 0.406 0.000 1.865 579 W CB -0.719 28.981 29.460 0.400 0.000 1.111 579 W HN 0.235 nan 8.180 nan 0.000 0.621 580 A N 0.115 123.245 122.820 0.516 0.000 1.978 580 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 580 A C 1.747 179.491 177.584 0.267 0.000 1.170 580 A CA 1.464 53.737 52.037 0.394 0.000 0.636 580 A CB -1.078 18.086 19.000 0.274 0.000 0.810 580 A HN 0.310 nan 8.150 nan 0.000 0.448 581 Y N 0.489 120.872 120.300 0.138 0.000 2.165 581 Y HA -0.250 4.300 4.550 -0.001 0.000 0.286 581 Y C 1.869 177.712 175.900 -0.094 0.000 1.155 581 Y CA 2.333 60.454 58.100 0.035 0.000 1.164 581 Y CB -0.195 38.303 38.460 0.064 0.000 0.978 581 Y HN 0.429 nan 8.280 nan 0.000 0.513 582 D N -2.300 118.077 120.400 -0.037 0.000 2.240 582 D HA -0.089 4.551 4.640 -0.001 0.000 0.206 582 D C 1.049 177.202 176.300 -0.244 0.000 0.963 582 D CA 1.163 54.914 54.000 -0.414 0.000 0.863 582 D CB 0.041 40.059 40.800 -1.303 0.000 0.973 582 D HN 0.345 nan 8.370 nan 0.000 0.501 583 Y N -0.374 119.934 120.300 0.013 0.000 2.535 583 Y HA 0.370 4.919 4.550 -0.001 0.000 0.264 583 Y C 1.400 177.381 175.900 0.134 0.000 1.087 583 Y CA 0.321 58.463 58.100 0.071 0.000 1.285 583 Y CB 0.071 38.558 38.460 0.046 0.000 1.200 583 Y HN -0.087 nan 8.280 nan 0.000 0.514 584 G N 0.727 109.707 108.800 0.300 0.000 2.860 584 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.553 584 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.553 584 G C -0.160 174.910 174.900 0.284 0.000 1.439 584 G CA -0.228 44.990 45.100 0.198 0.000 0.879 584 G HN 0.545 nan 8.290 nan 0.000 0.545 585 T N -3.474 111.149 114.554 0.114 0.000 2.906 585 T HA 0.745 5.095 4.350 -0.001 0.000 0.295 585 T C 1.528 176.203 174.700 -0.042 0.000 1.075 585 T CA 0.710 62.765 62.100 -0.076 0.000 1.005 585 T CB 1.534 70.124 68.868 -0.463 0.000 1.136 585 T HN 2.155 nan 8.240 nan 0.000 0.498 586 S N 0.180 115.825 115.700 -0.091 0.000 2.547 586 S HA 0.083 4.552 4.470 -0.001 0.000 0.235 586 S C 1.795 176.553 174.600 0.263 0.000 0.980 586 S CA 0.340 58.631 58.200 0.151 0.000 0.941 586 S CB -0.665 62.605 63.200 0.116 0.000 0.763 586 S HN 1.068 nan 8.310 nan 0.000 0.532 587 A N 1.126 124.000 122.820 0.089 0.000 2.252 587 A HA 0.207 4.526 4.320 -0.001 0.000 0.213 587 A C 1.575 179.285 177.584 0.210 0.000 1.188 587 A CA 0.302 52.427 52.037 0.146 0.000 0.863 587 A CB -0.051 18.984 19.000 0.059 0.000 0.893 587 A HN 0.392 nan 8.150 nan 0.000 0.495 588 D N 0.953 121.449 120.400 0.160 0.000 2.097 588 D HA -0.038 4.601 4.640 -0.001 0.000 0.195 588 D C 1.140 177.552 176.300 0.186 0.000 0.989 588 D CA 1.872 55.951 54.000 0.133 0.000 0.827 588 D CB -0.038 40.804 40.800 0.071 0.000 0.966 588 D HN 0.561 nan 8.370 nan 0.000 0.456 589 S N -2.051 113.758 115.700 0.183 0.000 2.636 589 S HA 0.187 4.656 4.470 -0.001 0.000 0.266 589 S C 0.411 174.653 174.600 -0.596 0.000 1.147 589 S CA -0.774 57.391 58.200 -0.059 0.000 0.815 589 S CB 1.909 65.063 63.200 -0.076 0.000 1.119 589 S HN -0.014 nan 8.310 nan 0.000 0.470 590 E N 0.354 119.896 120.200 -1.096 0.000 2.152 590 E HA 0.016 4.366 4.350 -0.001 0.000 0.192 590 E C 1.994 178.429 176.600 -0.276 0.000 0.983 590 E CA 1.136 56.939 56.400 -0.995 0.000 0.818 590 E CB -0.443 28.811 29.700 -0.744 0.000 0.758 590 E HN 0.722 nan 8.360 nan 0.000 0.467 591 A N 0.771 123.471 122.820 -0.200 0.000 1.902 591 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 591 A C 2.092 179.661 177.584 -0.026 0.000 1.181 591 A CA 1.611 53.599 52.037 -0.081 0.000 0.623 591 A CB -0.459 18.498 19.000 -0.072 0.000 0.818 591 A HN 0.380 nan 8.150 nan 0.000 0.443 592 M N -1.536 118.048 119.600 -0.027 0.000 2.200 592 M HA 0.037 4.516 4.480 -0.001 0.000 0.265 592 M C 1.762 178.107 176.300 0.075 0.000 1.066 592 M CA 1.487 56.808 55.300 0.035 0.000 1.127 592 M CB -0.592 32.030 32.600 0.036 0.000 1.379 592 M HN 0.467 nan 8.290 nan 0.000 0.420 593 F N 0.851 120.767 119.950 -0.056 0.000 2.102 593 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 593 F C 1.731 177.483 175.800 -0.079 0.000 1.105 593 F CA 2.053 60.023 58.000 -0.050 0.000 1.239 593 F CB -0.824 38.206 39.000 0.049 0.000 0.991 593 F HN 0.191 nan 8.300 nan 0.000 0.474 594 D N -0.694 119.472 120.400 -0.390 0.000 2.117 594 D HA -0.240 4.400 4.640 -0.001 0.000 0.197 594 D C 2.087 178.209 176.300 -0.296 0.000 0.987 594 D CA 1.632 55.362 54.000 -0.449 0.000 0.829 594 D CB -0.829 39.874 40.800 -0.162 0.000 0.961 594 D HN 0.441 nan 8.370 nan 0.000 0.460 595 Y N 1.319 121.489 120.300 -0.217 0.000 2.145 595 Y HA -0.150 4.400 4.550 -0.001 0.000 0.286 595 Y C 2.345 178.136 175.900 -0.181 0.000 1.145 595 Y CA 1.268 59.305 58.100 -0.105 0.000 1.148 595 Y CB -0.311 38.139 38.460 -0.017 0.000 0.981 595 Y HN -0.102 nan 8.280 nan 0.000 0.507 596 L N 0.150 121.282 121.223 -0.152 0.000 2.046 596 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 596 L C 2.544 179.039 176.870 -0.625 0.000 1.077 596 L CA 1.851 56.406 54.840 -0.474 0.000 0.747 596 L CB -0.541 41.368 42.059 -0.250 0.000 0.896 596 L HN 0.135 nan 8.230 nan 0.000 0.432 597 K N 0.211 120.239 120.400 -0.620 0.000 2.211 597 K HA -0.125 4.195 4.320 -0.001 0.000 0.203 597 K C 1.969 178.341 176.600 -0.381 0.000 1.050 597 K CA 1.117 57.056 56.287 -0.580 0.000 0.945 597 K CB -0.167 31.827 32.500 -0.843 0.000 0.732 597 K HN 0.348 nan 8.250 nan 0.000 0.451 598 G N 0.239 108.815 108.800 -0.373 0.000 2.443 598 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.219 598 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.219 598 G C 1.128 175.952 174.900 -0.127 0.000 1.131 598 G CA 1.111 46.066 45.100 -0.242 0.000 0.775 598 G HN 0.589 nan 8.290 nan 0.000 0.547 599 Y N -1.378 118.806 120.300 -0.194 0.000 2.448 599 Y HA 0.509 5.059 4.550 -0.001 0.000 0.257 599 Y C 1.036 176.863 175.900 -0.122 0.000 1.089 599 Y CA -0.697 57.317 58.100 -0.143 0.000 1.245 599 Y CB -0.302 38.120 38.460 -0.065 0.000 1.282 599 Y HN -0.017 nan 8.280 nan 0.000 0.529 600 S N 4.100 119.589 115.700 -0.353 0.000 2.811 600 S HA 0.021 4.491 4.470 -0.001 0.000 0.325 600 S C -1.438 173.139 174.600 -0.038 0.000 1.224 600 S CA -0.609 57.486 58.200 -0.175 0.000 1.125 600 S CB 0.462 63.648 63.200 -0.023 0.000 0.867 600 S HN 0.262 nan 8.310 nan 0.000 0.512 601 P HA -0.151 nan 4.420 nan 0.000 0.214 601 P C 1.638 178.921 177.300 -0.028 0.000 1.163 601 P CA 0.588 63.587 63.100 -0.168 0.000 0.889 601 P CB 0.027 31.410 31.700 -0.529 0.000 0.790 602 L N -0.861 120.293 121.223 -0.116 0.000 2.081 602 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 602 L C 1.820 178.575 176.870 -0.192 0.000 1.080 602 L CA 2.064 56.870 54.840 -0.057 0.000 0.754 602 L CB -1.411 40.504 42.059 -0.239 0.000 0.893 602 L HN 0.167 nan 8.230 nan 0.000 0.433 603 H N -1.130 117.976 119.070 0.060 0.000 2.539 603 H HA 0.231 4.786 4.556 -0.001 0.000 0.269 603 H C 0.686 176.034 175.328 0.033 0.000 0.980 603 H CA 0.313 56.384 56.048 0.038 0.000 1.152 603 H CB 0.088 29.841 29.762 -0.015 0.000 1.407 603 H HN 0.486 nan 8.280 nan 0.000 0.564 604 N N 0.705 119.473 118.700 0.114 0.000 2.177 604 N HA 0.056 4.796 4.740 -0.001 0.000 0.218 604 N C -0.137 175.456 175.510 0.138 0.000 1.182 604 N CA 0.085 53.198 53.050 0.105 0.000 0.882 604 N CB 1.875 40.404 38.487 0.071 0.000 1.052 604 N HN -0.046 nan 8.380 nan 0.000 0.519 605 V N 1.915 121.904 119.914 0.126 0.000 2.488 605 V HA 0.237 4.356 4.120 -0.001 0.000 0.277 605 V C 0.533 176.730 176.094 0.172 0.000 1.046 605 V CA -0.076 62.290 62.300 0.110 0.000 0.986 605 V CB 0.922 32.715 31.823 -0.050 0.000 0.989 605 V HN 0.023 nan 8.190 nan 0.000 0.475 606 R N 4.844 125.512 120.500 0.280 0.000 2.637 606 R HA 0.461 4.800 4.340 -0.001 0.000 0.291 606 R C -2.778 173.634 176.300 0.187 0.000 0.963 606 R CA -1.983 54.231 56.100 0.189 0.000 0.901 606 R CB 2.041 32.425 30.300 0.141 0.000 1.160 606 R HN 0.415 nan 8.270 nan 0.000 0.457 607 P HA 0.066 nan 4.420 nan 0.000 0.271 607 P C 0.355 177.701 177.300 0.077 0.000 1.226 607 P CA 0.717 63.881 63.100 0.108 0.000 0.765 607 P CB 0.867 32.618 31.700 0.085 0.000 0.835 608 G N 1.371 110.211 108.800 0.067 0.000 2.176 608 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.232 608 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.232 608 G C 0.043 174.925 174.900 -0.030 0.000 0.986 608 G CA -0.311 44.803 45.100 0.024 0.000 0.643 608 G HN 0.502 nan 8.290 nan 0.000 0.522 609 V N 0.991 120.861 119.914 -0.074 0.000 2.567 609 V HA 0.676 4.796 4.120 -0.001 0.000 0.289 609 V C 0.866 176.721 176.094 -0.398 0.000 1.049 609 V CA 0.345 62.470 62.300 -0.292 0.000 0.969 609 V CB 1.796 33.316 31.823 -0.505 0.000 0.995 609 V HN 0.431 nan 8.190 nan 0.000 0.471 610 S N 4.083 119.572 115.700 -0.352 0.000 2.464 610 S HA 0.480 4.950 4.470 -0.001 0.000 0.313 610 S C -0.698 173.767 174.600 -0.225 0.000 1.078 610 S CA -0.492 57.589 58.200 -0.197 0.000 1.096 610 S CB -0.458 62.692 63.200 -0.084 0.000 1.032 610 S HN 0.441 nan 8.310 nan 0.000 0.498 611 Y N 4.984 125.351 120.300 0.112 0.000 2.300 611 Y HA 0.395 4.945 4.550 -0.001 0.000 0.328 611 Y C -1.432 174.572 175.900 0.174 0.000 1.270 611 Y CA -1.986 56.180 58.100 0.109 0.000 1.352 611 Y CB 0.251 38.743 38.460 0.054 0.000 1.286 611 Y HN 0.471 nan 8.280 nan 0.000 0.536 612 P HA 0.050 nan 4.420 nan 0.000 0.275 612 P C -0.807 176.544 177.300 0.085 0.000 1.266 612 P CA -0.404 62.714 63.100 0.030 0.000 0.793 612 P CB 0.636 32.351 31.700 0.025 0.000 1.074 613 S N -0.165 115.506 115.700 -0.048 0.000 2.516 613 S HA 0.229 4.699 4.470 -0.001 0.000 0.282 613 S C 0.258 175.029 174.600 0.285 0.000 1.286 613 S CA 0.213 58.504 58.200 0.153 0.000 1.066 613 S CB -0.605 62.596 63.200 0.001 0.000 0.884 613 S HN 0.395 nan 8.310 nan 0.000 0.491 614 T N 3.512 118.248 114.554 0.303 0.000 2.841 614 T HA 0.527 4.877 4.350 -0.001 0.000 0.283 614 T C -0.438 174.289 174.700 0.045 0.000 1.000 614 T CA -0.561 61.658 62.100 0.198 0.000 0.977 614 T CB 1.261 70.161 68.868 0.054 0.000 0.979 614 T HN 0.514 nan 8.240 nan 0.000 0.446 615 M N 4.256 123.837 119.600 -0.032 0.000 1.998 615 M HA 0.434 4.914 4.480 -0.001 0.000 0.289 615 M C -1.411 174.829 176.300 -0.100 0.000 0.886 615 M CA -0.488 54.638 55.300 -0.289 0.000 0.853 615 M CB 0.326 32.619 32.600 -0.511 0.000 1.462 615 M HN 0.332 nan 8.290 nan 0.000 0.375 616 V N 3.516 123.392 119.914 -0.063 0.000 2.508 616 V HA 0.452 4.572 4.120 -0.001 0.000 0.281 616 V C 0.461 176.559 176.094 0.006 0.000 1.041 616 V CA -0.186 62.129 62.300 0.024 0.000 1.016 616 V CB 0.600 32.469 31.823 0.078 0.000 0.984 616 V HN 0.831 nan 8.190 nan 0.000 0.478 617 T N 1.197 115.766 114.554 0.026 0.000 2.856 617 T HA 0.783 5.133 4.350 -0.001 0.000 0.283 617 T C -0.369 174.357 174.700 0.043 0.000 1.008 617 T CA -0.656 61.456 62.100 0.019 0.000 0.997 617 T CB 1.995 70.864 68.868 0.001 0.000 0.992 617 T HN 0.802 nan 8.240 nan 0.000 0.454 618 T N -0.041 114.543 114.554 0.050 0.000 2.831 618 T HA 0.593 4.942 4.350 -0.001 0.000 0.333 618 T C -1.182 173.548 174.700 0.050 0.000 1.684 618 T CA -0.170 61.956 62.100 0.044 0.000 1.049 618 T CB 0.893 69.783 68.868 0.038 0.000 1.518 618 T HN 1.236 nan 8.240 nan 0.000 0.491 619 A N 1.394 124.229 122.820 0.026 0.000 2.271 619 A HA 0.570 4.889 4.320 -0.001 0.000 0.288 619 A C 1.071 178.658 177.584 0.006 0.000 1.094 619 A CA 0.368 52.421 52.037 0.026 0.000 0.828 619 A CB 0.137 19.157 19.000 0.034 0.000 1.091 619 A HN 0.973 nan 8.150 nan 0.000 0.493 620 D N -0.577 119.801 120.400 -0.036 0.000 2.219 620 D HA -0.040 4.600 4.640 -0.001 0.000 0.205 620 D C 0.174 176.166 176.300 -0.512 0.000 0.970 620 D CA 1.522 55.411 54.000 -0.185 0.000 0.851 620 D CB -0.131 40.487 40.800 -0.303 0.000 0.943 620 D HN 0.486 nan 8.370 nan 0.000 0.488 621 H N -0.783 118.329 119.070 0.071 0.000 2.856 621 H HA 0.466 5.022 4.556 -0.001 0.000 0.355 621 H C -1.156 174.187 175.328 0.025 0.000 1.079 621 H CA -0.784 55.285 56.048 0.035 0.000 1.240 621 H CB 1.223 31.018 29.762 0.056 0.000 1.701 621 H HN 0.081 nan 8.280 nan 0.000 0.527 622 N N 1.533 120.297 118.700 0.107 0.000 2.324 622 N HA 0.053 4.792 4.740 -0.001 0.000 0.285 622 N C -0.320 175.250 175.510 0.101 0.000 1.076 622 N CA -0.360 52.744 53.050 0.090 0.000 0.864 622 N CB 2.286 40.803 38.487 0.051 0.000 1.632 622 N HN 0.388 nan 8.380 nan 0.000 0.478 623 D N 1.399 121.873 120.400 0.123 0.000 2.120 623 D HA -0.028 4.612 4.640 -0.001 0.000 0.202 623 D C 1.751 178.154 176.300 0.172 0.000 0.972 623 D CA 0.994 55.074 54.000 0.135 0.000 0.837 623 D CB 0.341 41.216 40.800 0.124 0.000 0.989 623 D HN 0.459 nan 8.370 nan 0.000 0.469 624 R N 0.249 120.869 120.500 0.200 0.000 2.061 624 R HA 0.022 4.362 4.340 -0.001 0.000 0.230 624 R C 0.070 176.599 176.300 0.382 0.000 1.140 624 R CA 0.966 57.244 56.100 0.296 0.000 0.940 624 R CB -0.287 30.165 30.300 0.253 0.000 0.839 624 R HN -0.057 nan 8.270 nan 0.000 0.429 625 V N 2.714 122.793 119.914 0.275 0.000 2.326 625 V HA 0.266 4.385 4.120 -0.001 0.000 0.281 625 V C -0.526 175.672 176.094 0.173 0.000 1.015 625 V CA -1.105 61.373 62.300 0.296 0.000 0.823 625 V CB 1.309 33.224 31.823 0.154 0.000 1.009 625 V HN 0.222 nan 8.190 nan 0.000 0.436 626 V N 4.019 124.023 119.914 0.151 0.000 2.673 626 V HA 0.197 4.317 4.120 -0.001 0.000 0.303 626 V C -1.362 174.604 176.094 -0.212 0.000 1.046 626 V CA -0.769 61.471 62.300 -0.100 0.000 1.126 626 V CB 0.462 32.063 31.823 -0.370 0.000 0.934 626 V HN 0.611 nan 8.190 nan 0.000 0.487 627 P HA -0.184 nan 4.420 nan 0.000 0.217 627 P C 1.770 178.473 177.300 -0.995 0.000 1.148 627 P CA 2.309 64.934 63.100 -0.792 0.000 0.834 627 P CB 0.034 31.056 31.700 -1.130 0.000 0.783 628 A N -0.504 121.854 122.820 -0.771 0.000 1.940 628 A HA -0.318 4.001 4.320 -0.001 0.000 0.221 628 A C 2.118 179.503 177.584 -0.330 0.000 1.190 628 A CA 1.901 53.613 52.037 -0.540 0.000 0.647 628 A CB -1.729 16.905 19.000 -0.609 0.000 0.821 628 A HN 0.266 nan 8.150 nan 0.000 0.457 629 H N -0.393 118.551 119.070 -0.211 0.000 2.265 629 H HA -0.099 4.456 4.556 -0.001 0.000 0.295 629 H C 2.638 177.955 175.328 -0.018 0.000 1.084 629 H CA 1.907 57.915 56.048 -0.067 0.000 1.261 629 H CB -0.542 29.195 29.762 -0.041 0.000 1.360 629 H HN 0.513 nan 8.280 nan 0.000 0.487 630 S N 0.559 116.314 115.700 0.092 0.000 2.383 630 S HA -0.094 4.375 4.470 -0.001 0.000 0.227 630 S C 2.038 176.821 174.600 0.305 0.000 1.026 630 S CA 0.644 58.950 58.200 0.177 0.000 0.981 630 S CB -0.222 63.053 63.200 0.126 0.000 0.818 630 S HN 0.174 nan 8.310 nan 0.000 0.472 631 F N 1.944 121.901 119.950 0.012 0.000 2.069 631 F HA -0.046 4.481 4.527 -0.001 0.000 0.298 631 F C 2.212 177.863 175.800 -0.249 0.000 1.113 631 F CA 0.895 58.837 58.000 -0.097 0.000 1.214 631 F CB -1.069 37.734 39.000 -0.328 0.000 0.978 631 F HN 0.177 nan 8.300 nan 0.000 0.474 632 K N -1.012 119.382 120.400 -0.010 0.000 2.097 632 K HA -0.183 4.137 4.320 -0.001 0.000 0.205 632 K C 2.059 178.674 176.600 0.025 0.000 1.050 632 K CA 1.230 57.470 56.287 -0.080 0.000 0.938 632 K CB -0.529 31.971 32.500 0.000 0.000 0.718 632 K HN 0.069 nan 8.250 nan 0.000 0.442 633 F N 1.743 121.658 119.950 -0.058 0.000 2.102 633 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 633 F C 2.172 177.914 175.800 -0.097 0.000 1.105 633 F CA 1.256 59.213 58.000 -0.071 0.000 1.239 633 F CB -0.666 38.307 39.000 -0.044 0.000 0.991 633 F HN -0.019 nan 8.300 nan 0.000 0.474 634 A N 0.269 123.061 122.820 -0.046 0.000 1.908 634 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 634 A C 2.449 179.894 177.584 -0.231 0.000 1.181 634 A CA 2.037 53.976 52.037 -0.164 0.000 0.627 634 A CB -1.575 17.449 19.000 0.039 0.000 0.818 634 A HN 0.483 nan 8.150 nan 0.000 0.445 635 A N -1.018 121.674 122.820 -0.215 0.000 1.902 635 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 635 A C 2.309 179.618 177.584 -0.457 0.000 1.181 635 A CA 2.314 54.091 52.037 -0.433 0.000 0.623 635 A CB -1.276 17.114 19.000 -1.016 0.000 0.818 635 A HN 0.442 nan 8.150 nan 0.000 0.443 636 T N 0.447 114.809 114.554 -0.319 0.000 2.746 636 T HA -0.066 4.284 4.350 -0.001 0.000 0.267 636 T C 1.809 176.405 174.700 -0.173 0.000 1.039 636 T CA 1.382 63.455 62.100 -0.045 0.000 1.142 636 T CB -0.358 68.541 68.868 0.050 0.000 0.866 636 T HN 0.350 nan 8.240 nan 0.000 0.444 637 L N 0.762 121.753 121.223 -0.386 0.000 2.046 637 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 637 L C 2.893 179.592 176.870 -0.284 0.000 1.077 637 L CA 1.369 55.948 54.840 -0.434 0.000 0.747 637 L CB -0.553 41.125 42.059 -0.635 0.000 0.896 637 L HN 0.333 nan 8.230 nan 0.000 0.432 638 Q N -0.570 119.003 119.800 -0.379 0.000 2.224 638 Q HA -0.146 4.194 4.340 -0.001 0.000 0.203 638 Q C 2.280 178.185 176.000 -0.158 0.000 0.970 638 Q CA 1.388 56.875 55.803 -0.526 0.000 0.865 638 Q CB -0.141 28.099 28.738 -0.831 0.000 0.922 638 Q HN 0.557 nan 8.270 nan 0.000 0.445 639 A N 0.694 123.484 122.820 -0.051 0.000 2.021 639 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 639 A C 1.186 178.829 177.584 0.098 0.000 1.163 639 A CA 1.175 53.260 52.037 0.081 0.000 0.676 639 A CB 0.156 19.255 19.000 0.165 0.000 0.818 639 A HN 0.139 nan 8.150 nan 0.000 0.453 640 D N -0.663 119.785 120.400 0.079 0.000 2.324 640 D HA 0.036 4.676 4.640 -0.001 0.000 0.212 640 D C 0.580 176.989 176.300 0.182 0.000 0.984 640 D CA 0.102 54.179 54.000 0.130 0.000 0.885 640 D CB -0.358 40.528 40.800 0.143 0.000 0.996 640 D HN 0.375 nan 8.370 nan 0.000 0.505 641 N N 0.337 119.155 118.700 0.197 0.000 2.412 641 N HA 0.089 4.828 4.740 -0.001 0.000 0.258 641 N C 0.535 176.137 175.510 0.154 0.000 1.236 641 N CA 0.269 53.473 53.050 0.256 0.000 0.882 641 N CB 1.002 39.646 38.487 0.262 0.000 1.066 641 N HN -0.013 nan 8.380 nan 0.000 0.465 642 A N 3.230 126.104 122.820 0.090 0.000 1.942 642 A HA 0.317 4.637 4.320 -0.001 0.000 0.209 642 A C 1.246 178.840 177.584 0.016 0.000 1.214 642 A CA 0.685 52.749 52.037 0.045 0.000 0.686 642 A CB -0.952 18.054 19.000 0.010 0.000 0.871 642 A HN 0.704 nan 8.150 nan 0.000 0.460 643 G N -0.025 108.767 108.800 -0.014 0.000 2.593 643 G HA2 0.303 4.262 3.960 -0.001 0.000 0.279 643 G HA3 0.303 4.262 3.960 -0.001 0.000 0.279 643 G C -1.138 173.703 174.900 -0.098 0.000 1.329 643 G CA 0.195 45.241 45.100 -0.090 0.000 1.036 643 G HN 0.261 nan 8.290 nan 0.000 0.555 644 P HA 0.087 nan 4.420 nan 0.000 0.255 644 P C -0.258 176.989 177.300 -0.089 0.000 1.248 644 P CA 0.095 63.102 63.100 -0.155 0.000 0.807 644 P CB 0.189 31.788 31.700 -0.168 0.000 1.150 645 H N 2.872 121.994 119.070 0.086 0.000 2.646 645 H HA 0.230 4.785 4.556 -0.001 0.000 0.325 645 H C -1.954 173.454 175.328 0.134 0.000 1.075 645 H CA -2.599 53.511 56.048 0.103 0.000 1.421 645 H CB 0.133 29.957 29.762 0.103 0.000 1.461 645 H HN 0.203 nan 8.280 nan 0.000 0.525 646 P HA 0.035 nan 4.420 nan 0.000 0.276 646 P C -0.487 176.937 177.300 0.207 0.000 1.230 646 P CA -0.498 62.706 63.100 0.174 0.000 0.776 646 P CB 1.067 32.686 31.700 -0.135 0.000 0.888 647 Q N 3.378 123.309 119.800 0.219 0.000 2.466 647 Q HA 0.432 4.772 4.340 -0.001 0.000 0.242 647 Q C -0.084 175.862 176.000 -0.090 0.000 1.046 647 Q CA -0.276 55.522 55.803 -0.009 0.000 0.841 647 Q CB 0.972 29.601 28.738 -0.182 0.000 1.193 647 Q HN 0.520 nan 8.270 nan 0.000 0.508 648 L N 1.887 123.045 121.223 -0.109 0.000 2.313 648 L HA 0.677 5.017 4.340 -0.001 0.000 0.268 648 L C -0.065 176.690 176.870 -0.191 0.000 1.010 648 L CA -1.125 53.615 54.840 -0.166 0.000 0.814 648 L CB 1.858 43.765 42.059 -0.254 0.000 1.304 648 L HN 0.418 nan 8.230 nan 0.000 0.441 649 I N 1.440 121.902 120.570 -0.180 0.000 2.534 649 I HA 0.383 4.552 4.170 -0.001 0.000 0.288 649 I C -0.973 175.062 176.117 -0.137 0.000 1.077 649 I CA -0.525 60.698 61.300 -0.128 0.000 1.051 649 I CB 1.893 39.853 38.000 -0.067 0.000 1.234 649 I HN 0.659 nan 8.210 nan 0.000 0.425 650 R N 7.871 128.312 120.500 -0.099 0.000 2.275 650 R HA 0.533 4.872 4.340 -0.001 0.000 0.326 650 R C -1.693 174.593 176.300 -0.023 0.000 0.973 650 R CA -0.621 55.429 56.100 -0.082 0.000 0.854 650 R CB 0.761 31.005 30.300 -0.094 0.000 1.156 650 R HN 0.555 nan 8.270 nan 0.000 0.487 651 I N 3.472 124.032 120.570 -0.016 0.000 2.304 651 I HA 0.169 4.339 4.170 -0.001 0.000 0.291 651 I C 0.229 176.356 176.117 0.018 0.000 1.018 651 I CA -0.512 60.815 61.300 0.045 0.000 1.260 651 I CB 1.374 39.420 38.000 0.076 0.000 1.390 651 I HN 0.517 nan 8.210 nan 0.000 0.475 652 E N 4.857 125.071 120.200 0.024 0.000 2.360 652 E HA 0.381 4.730 4.350 -0.001 0.000 0.269 652 E C -0.052 176.559 176.600 0.020 0.000 1.022 652 E CA -0.011 56.397 56.400 0.014 0.000 0.887 652 E CB 0.634 30.343 29.700 0.016 0.000 0.990 652 E HN 0.731 nan 8.360 nan 0.000 0.426 662 P HA 0.239 nan 4.420 nan 0.000 0.207 662 P C 1.718 178.948 177.300 -0.117 0.000 1.060 662 P CA 2.102 65.162 63.100 -0.066 0.000 1.006 662 P CB 0.146 31.817 31.700 -0.048 0.000 0.832 663 V N -1.618 118.187 119.914 -0.183 0.000 2.626 663 V HA -0.019 4.100 4.120 -0.001 0.000 0.252 663 V C 2.190 178.076 176.094 -0.347 0.000 1.067 663 V CA 1.888 63.977 62.300 -0.351 0.000 1.081 663 V CB -2.156 29.382 31.823 -0.475 0.000 0.686 663 V HN 0.019 nan 8.190 nan 0.000 0.468 664 A N 0.034 122.726 122.820 -0.214 0.000 2.016 664 A HA 0.029 4.348 4.320 -0.001 0.000 0.217 664 A C 2.305 179.829 177.584 -0.100 0.000 1.162 664 A CA 1.374 53.321 52.037 -0.150 0.000 0.662 664 A CB -0.348 18.592 19.000 -0.100 0.000 0.812 664 A HN 0.569 nan 8.150 nan 0.000 0.450 665 K N -0.501 119.845 120.400 -0.090 0.000 2.262 665 K HA 0.209 4.529 4.320 -0.001 0.000 0.200 665 K C 1.632 178.202 176.600 -0.050 0.000 1.049 665 K CA 0.399 56.654 56.287 -0.053 0.000 0.979 665 K CB -0.114 32.364 32.500 -0.037 0.000 0.773 665 K HN 0.425 nan 8.250 nan 0.000 0.474 666 L N 0.768 121.944 121.223 -0.078 0.000 2.044 666 L HA -0.119 4.220 4.340 -0.001 0.000 0.205 666 L C 2.303 179.168 176.870 -0.009 0.000 1.075 666 L CA 1.115 55.929 54.840 -0.042 0.000 0.747 666 L CB -0.406 41.621 42.059 -0.053 0.000 0.903 666 L HN 0.123 nan 8.230 nan 0.000 0.435 667 I N 0.131 120.668 120.570 -0.055 0.000 2.208 667 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 667 I C 2.635 178.781 176.117 0.048 0.000 1.097 667 I CA 1.312 62.641 61.300 0.048 0.000 1.363 667 I CB -0.194 37.800 38.000 -0.011 0.000 1.051 667 I HN 0.319 nan 8.210 nan 0.000 0.413 668 E N 1.113 121.317 120.200 0.006 0.000 2.051 668 E HA -0.304 4.046 4.350 -0.001 0.000 0.192 668 E C 2.129 178.733 176.600 0.007 0.000 0.991 668 E CA 1.731 58.138 56.400 0.012 0.000 0.799 668 E CB -0.230 29.467 29.700 -0.006 0.000 0.748 668 E HN 0.467 nan 8.360 nan 0.000 0.449 669 Q N -0.557 119.237 119.800 -0.010 0.000 2.123 669 Q HA -0.094 4.246 4.340 -0.001 0.000 0.199 669 Q C 2.229 178.189 176.000 -0.067 0.000 0.966 669 Q CA 1.459 57.245 55.803 -0.029 0.000 0.845 669 Q CB -0.269 28.452 28.738 -0.029 0.000 0.907 669 Q HN 0.287 nan 8.270 nan 0.000 0.439 670 S N -0.491 115.165 115.700 -0.074 0.000 2.382 670 S HA -0.120 4.349 4.470 -0.001 0.000 0.228 670 S C 1.843 176.307 174.600 -0.227 0.000 1.027 670 S CA 1.098 59.166 58.200 -0.220 0.000 0.991 670 S CB -0.250 62.899 63.200 -0.085 0.000 0.823 670 S HN 0.550 nan 8.310 nan 0.000 0.469 671 A N 1.030 123.851 122.820 0.001 0.000 1.898 671 A HA -0.063 4.256 4.320 -0.001 0.000 0.216 671 A C 1.829 179.492 177.584 0.131 0.000 1.181 671 A CA 1.817 53.929 52.037 0.125 0.000 0.620 671 A CB -0.818 18.266 19.000 0.140 0.000 0.819 671 A HN 0.490 nan 8.150 nan 0.000 0.442 672 D N 0.011 120.451 120.400 0.067 0.000 2.144 672 D HA -0.099 4.541 4.640 -0.001 0.000 0.199 672 D C 1.775 178.156 176.300 0.135 0.000 0.984 672 D CA 1.056 55.108 54.000 0.087 0.000 0.834 672 D CB -0.249 40.566 40.800 0.025 0.000 0.955 672 D HN 0.524 nan 8.370 nan 0.000 0.465 673 I N -0.137 120.458 120.570 0.041 0.000 2.202 673 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 673 I C 1.922 178.203 176.117 0.275 0.000 1.091 673 I CA 0.877 62.223 61.300 0.078 0.000 1.368 673 I CB -0.222 37.703 38.000 -0.125 0.000 1.058 673 I HN 0.030 nan 8.210 nan 0.000 0.410 674 Y N 0.910 121.330 120.300 0.200 0.000 2.242 674 Y HA -0.139 4.411 4.550 -0.001 0.000 0.291 674 Y C 2.645 178.781 175.900 0.394 0.000 1.137 674 Y CA 0.609 58.874 58.100 0.276 0.000 1.181 674 Y CB -1.284 37.371 38.460 0.325 0.000 0.989 674 Y HN 0.122 nan 8.280 nan 0.000 0.527 675 A N -0.314 122.824 122.820 0.530 0.000 1.873 675 A HA -0.198 4.121 4.320 -0.001 0.000 0.215 675 A C 2.185 180.076 177.584 0.511 0.000 1.186 675 A CA 1.400 53.742 52.037 0.509 0.000 0.616 675 A CB -1.338 17.851 19.000 0.314 0.000 0.823 675 A HN 0.401 nan 8.150 nan 0.000 0.442 676 F N 1.480 121.615 119.950 0.307 0.000 2.102 676 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 676 F C 2.457 178.482 175.800 0.376 0.000 1.105 676 F CA 2.359 60.552 58.000 0.321 0.000 1.239 676 F CB -0.830 38.304 39.000 0.224 0.000 0.991 676 F HN 0.210 nan 8.300 nan 0.000 0.474 677 T N 1.865 116.639 114.554 0.366 0.000 2.622 677 T HA -0.229 4.121 4.350 -0.001 0.000 0.266 677 T C 2.163 177.028 174.700 0.274 0.000 1.047 677 T CA 2.123 64.365 62.100 0.236 0.000 1.159 677 T CB -0.722 68.326 68.868 0.300 0.000 0.863 677 T HN 0.259 nan 8.240 nan 0.000 0.422 678 L N -0.582 120.891 121.223 0.416 0.000 2.083 678 L HA -0.109 4.231 4.340 -0.001 0.000 0.209 678 L C 2.416 179.569 176.870 0.473 0.000 1.083 678 L CA 1.501 56.568 54.840 0.378 0.000 0.752 678 L CB -0.586 41.591 42.059 0.196 0.000 0.899 678 L HN 0.274 nan 8.230 nan 0.000 0.433 679 Y N 1.121 121.640 120.300 0.364 0.000 2.145 679 Y HA -0.233 4.317 4.550 -0.001 0.000 0.286 679 Y C 2.594 178.579 175.900 0.141 0.000 1.145 679 Y CA 1.536 59.809 58.100 0.289 0.000 1.148 679 Y CB 0.026 38.596 38.460 0.182 0.000 0.981 679 Y HN 0.123 nan 8.280 nan 0.000 0.507 680 E N -0.206 120.027 120.200 0.055 0.000 2.338 680 E HA -0.152 4.197 4.350 -0.001 0.000 0.197 680 E C 1.831 178.399 176.600 -0.053 0.000 1.007 680 E CA 1.083 57.423 56.400 -0.100 0.000 0.849 680 E CB -0.303 29.188 29.700 -0.349 0.000 0.774 680 E HN 0.623 nan 8.360 nan 0.000 0.506 681 M N -0.985 118.650 119.600 0.059 0.000 2.561 681 M HA 0.098 4.578 4.480 -0.001 0.000 0.238 681 M C 0.984 177.268 176.300 -0.027 0.000 1.131 681 M CA 0.672 56.023 55.300 0.085 0.000 1.046 681 M CB 0.589 33.353 32.600 0.274 0.000 1.532 681 M HN 0.218 nan 8.290 nan 0.000 0.497 682 G N -0.363 108.390 108.800 -0.078 0.000 2.179 682 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.220 682 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.220 682 G C -0.268 174.516 174.900 -0.195 0.000 0.990 682 G CA -0.621 44.365 45.100 -0.189 0.000 0.646 682 G HN 0.408 nan 8.290 nan 0.000 0.517 683 Y N -0.197 120.092 120.300 -0.019 0.000 2.309 683 Y HA 0.628 5.177 4.550 -0.001 0.000 0.327 683 Y C 1.606 177.624 175.900 0.197 0.000 1.172 683 Y CA 0.143 58.270 58.100 0.044 0.000 1.280 683 Y CB 1.102 39.567 38.460 0.008 0.000 1.234 683 Y HN 0.043 nan 8.280 nan 0.000 0.512 684 R N 0.755 121.481 120.500 0.376 0.000 2.549 684 R HA 0.178 4.517 4.340 -0.001 0.000 0.361 684 R C -1.128 175.467 176.300 0.492 0.000 0.969 684 R CA -0.076 56.305 56.100 0.468 0.000 1.158 684 R CB 0.668 31.102 30.300 0.223 0.000 1.456 684 R HN 0.737 nan 8.270 nan 0.000 0.540 685 E N 0.421 120.816 120.200 0.325 0.000 2.354 685 E HA 0.168 4.518 4.350 -0.001 0.000 0.283 685 E C -0.917 175.607 176.600 -0.126 0.000 0.938 685 E CA -0.791 55.694 56.400 0.141 0.000 0.777 685 E CB 1.382 31.155 29.700 0.123 0.000 1.222 685 E HN -0.093 nan 8.360 nan 0.000 0.423 686 L N 3.132 124.161 121.223 -0.323 0.000 2.628 686 L HA -0.051 4.289 4.340 -0.001 0.000 0.292 686 L C -1.310 175.401 176.870 -0.265 0.000 1.250 686 L CA -0.677 53.908 54.840 -0.426 0.000 0.892 686 L CB -0.161 41.732 42.059 -0.276 0.000 1.138 686 L HN 0.492 nan 8.230 nan 0.000 0.502 687 P HA -0.159 nan 4.420 nan 0.000 0.217 687 P C -0.394 176.819 177.300 -0.144 0.000 1.148 687 P CA 1.306 64.245 63.100 -0.269 0.000 0.828 687 P CB 0.246 31.615 31.700 -0.552 0.000 0.783 688 R N 0.000 120.392 120.500 -0.179 0.000 2.786 688 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 688 R CA 0.000 56.034 56.100 -0.110 0.000 0.921 688 R CB 0.000 30.244 30.300 -0.094 0.000 0.687 688 R HN 0.000 nan 8.270 nan 0.000 0.535