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 1uks_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDLSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWLL GVNEISPEYH QFANESGMSL LDFRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.565 177.584 -0.032 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 2 P HA 0.181 nan 4.420 nan 0.000 0.272 2 P C -0.051 177.219 177.300 -0.049 0.000 1.230 2 P CA 0.349 63.426 63.100 -0.039 0.000 0.788 2 P CB 0.546 32.221 31.700 -0.042 0.000 0.949 3 D N 0.518 120.896 120.400 -0.038 0.000 2.182 3 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 3 D C 1.086 177.345 176.300 -0.068 0.000 0.986 3 D CA 2.022 56.004 54.000 -0.030 0.000 0.847 3 D CB -1.354 39.465 40.800 0.031 0.000 0.942 3 D HN 0.450 nan 8.370 nan 0.000 0.467 4 T N -2.770 111.733 114.554 -0.084 0.000 3.129 4 T HA 0.074 4.424 4.350 -0.000 0.000 0.251 4 T C 1.028 175.645 174.700 -0.138 0.000 1.117 4 T CA -0.116 61.910 62.100 -0.123 0.000 1.034 4 T CB -0.157 68.644 68.868 -0.111 0.000 0.968 4 T HN 0.131 nan 8.240 nan 0.000 0.526 5 S N 0.482 116.109 115.700 -0.123 0.000 2.568 5 S HA 0.164 4.634 4.470 -0.000 0.000 0.282 5 S C 1.477 175.974 174.600 -0.172 0.000 1.338 5 S CA -0.341 57.782 58.200 -0.127 0.000 1.045 5 S CB 1.130 64.266 63.200 -0.105 0.000 0.873 5 S HN 0.223 nan 8.310 nan 0.000 0.516 6 V N 4.358 124.167 119.914 -0.175 0.000 2.594 6 V HA -0.080 4.040 4.120 -0.000 0.000 0.253 6 V C 2.186 178.128 176.094 -0.254 0.000 1.069 6 V CA 2.522 64.689 62.300 -0.221 0.000 1.082 6 V CB -0.824 30.881 31.823 -0.196 0.000 0.680 6 V HN 1.033 nan 8.190 nan 0.000 0.469 7 S N -0.597 114.980 115.700 -0.205 0.000 2.603 7 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 7 S C 1.068 175.587 174.600 -0.136 0.000 0.972 7 S CA 0.655 58.746 58.200 -0.182 0.000 0.935 7 S CB -1.116 62.004 63.200 -0.134 0.000 0.769 7 S HN 0.793 nan 8.310 nan 0.000 0.536 8 N N 1.467 120.076 118.700 -0.152 0.000 2.549 8 N HA 0.135 4.875 4.740 -0.000 0.000 0.267 8 N C 0.716 176.168 175.510 -0.096 0.000 1.182 8 N CA -0.312 52.667 53.050 -0.118 0.000 1.019 8 N CB 0.148 38.551 38.487 -0.139 0.000 1.380 8 N HN 0.333 nan 8.380 nan 0.000 0.505 9 K N 1.427 121.833 120.400 0.009 0.000 2.366 9 K HA -0.088 4.232 4.320 -0.000 0.000 0.198 9 K C 1.273 178.052 176.600 0.299 0.000 1.044 9 K CA 0.814 57.206 56.287 0.174 0.000 0.973 9 K CB 0.272 32.858 32.500 0.142 0.000 0.767 9 K HN 0.493 nan 8.250 nan 0.000 0.475 10 Q N 0.235 120.141 119.800 0.176 0.000 2.212 10 Q HA 0.074 4.414 4.340 -0.000 0.000 0.199 10 Q C -0.115 176.022 176.000 0.228 0.000 0.950 10 Q CA 0.798 56.719 55.803 0.197 0.000 0.863 10 Q CB 0.368 29.168 28.738 0.103 0.000 0.944 10 Q HN 0.145 nan 8.270 nan 0.000 0.465 11 N N -0.969 117.816 118.700 0.142 0.000 2.260 11 N HA 0.245 4.985 4.740 -0.000 0.000 0.293 11 N C -1.121 174.362 175.510 -0.045 0.000 1.058 11 N CA -0.356 52.707 53.050 0.022 0.000 0.824 11 N CB 1.277 39.766 38.487 0.004 0.000 1.551 11 N HN -0.050 nan 8.380 nan 0.000 0.475 12 F N 0.257 119.831 119.950 -0.627 0.000 2.724 12 F HA 0.204 4.730 4.527 -0.000 0.000 0.310 12 F C 1.748 177.278 175.800 -0.450 0.000 1.107 12 F CA -0.227 57.422 58.000 -0.585 0.000 1.218 12 F CB 0.241 38.708 39.000 -0.888 0.000 1.042 12 F HN 0.324 nan 8.300 nan 0.000 0.540 13 S N -0.756 114.802 115.700 -0.236 0.000 2.442 13 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 13 S C 2.105 176.494 174.600 -0.351 0.000 1.007 13 S CA 1.763 59.797 58.200 -0.276 0.000 0.965 13 S CB -0.663 62.376 63.200 -0.267 0.000 0.773 13 S HN 0.528 nan 8.310 nan 0.000 0.504 14 T N -0.535 113.809 114.554 -0.349 0.000 3.129 14 T HA 0.124 4.474 4.350 -0.000 0.000 0.251 14 T C 0.091 174.638 174.700 -0.254 0.000 1.117 14 T CA -0.101 61.798 62.100 -0.335 0.000 1.034 14 T CB -0.086 68.601 68.868 -0.301 0.000 0.968 14 T HN 0.113 nan 8.240 nan 0.000 0.526 15 D N 0.845 121.108 120.400 -0.227 0.000 2.326 15 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 15 D C -0.837 175.412 176.300 -0.086 0.000 1.023 15 D CA -0.457 53.444 54.000 -0.165 0.000 0.966 15 D CB 2.561 43.248 40.800 -0.188 0.000 1.156 15 D HN 0.028 nan 8.370 nan 0.000 0.494 16 V N 1.964 121.856 119.914 -0.036 0.000 2.483 16 V HA 0.354 4.474 4.120 -0.000 0.000 0.297 16 V C 0.177 176.334 176.094 0.104 0.000 1.027 16 V CA -0.720 61.588 62.300 0.014 0.000 0.855 16 V CB 1.616 33.430 31.823 -0.014 0.000 0.995 16 V HN 0.364 nan 8.190 nan 0.000 0.424 17 I N 4.602 125.277 120.570 0.175 0.000 2.365 17 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 17 I C -0.840 175.483 176.117 0.343 0.000 1.004 17 I CA -0.486 60.990 61.300 0.293 0.000 1.311 17 I CB 0.977 39.190 38.000 0.356 0.000 1.401 17 I HN 0.632 nan 8.210 nan 0.000 0.491 18 Y N 6.251 126.668 120.300 0.196 0.000 2.334 18 Y HA 0.258 4.808 4.550 -0.000 0.000 0.336 18 Y C -0.040 175.967 175.900 0.178 0.000 0.960 18 Y CA -0.528 57.666 58.100 0.158 0.000 1.164 18 Y CB 1.022 39.533 38.460 0.085 0.000 1.155 18 Y HN 0.504 nan 8.280 nan 0.000 0.478 19 Q N 7.452 127.184 119.800 -0.113 0.000 2.349 19 Q HA 0.407 4.746 4.340 -0.000 0.000 0.254 19 Q C -1.356 174.479 176.000 -0.275 0.000 0.980 19 Q CA -0.299 55.376 55.803 -0.213 0.000 0.924 19 Q CB 0.555 29.083 28.738 -0.351 0.000 1.209 19 Q HN 0.774 nan 8.270 nan 0.000 0.445 20 I N 4.195 124.586 120.570 -0.298 0.000 2.404 20 I HA 0.251 4.421 4.170 -0.000 0.000 0.293 20 I C -0.576 175.347 176.117 -0.323 0.000 0.992 20 I CA -0.733 60.339 61.300 -0.381 0.000 1.149 20 I CB 1.216 38.973 38.000 -0.404 0.000 1.315 20 I HN 0.601 nan 8.210 nan 0.000 0.446 21 F N 4.999 124.537 119.950 -0.688 0.000 2.405 21 F HA 0.095 4.622 4.527 -0.000 0.000 0.358 21 F C 1.736 177.300 175.800 -0.393 0.000 1.151 21 F CA -0.087 57.647 58.000 -0.443 0.000 1.161 21 F CB 1.018 39.840 39.000 -0.297 0.000 1.245 21 F HN 0.574 nan 8.300 nan 0.000 0.545 22 T N 1.334 115.684 114.554 -0.340 0.000 2.721 22 T HA -0.319 4.031 4.350 -0.000 0.000 0.268 22 T C 1.610 176.240 174.700 -0.117 0.000 1.038 22 T CA 2.039 63.950 62.100 -0.316 0.000 1.145 22 T CB -0.215 68.188 68.868 -0.775 0.000 0.858 22 T HN 0.609 nan 8.240 nan 0.000 0.459 23 D N 0.277 120.670 120.400 -0.013 0.000 2.219 23 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 23 D C 1.982 178.374 176.300 0.153 0.000 0.970 23 D CA 0.662 54.770 54.000 0.180 0.000 0.851 23 D CB 0.166 41.149 40.800 0.306 0.000 0.943 23 D HN 0.092 nan 8.370 nan 0.000 0.488 24 R N -0.743 119.820 120.500 0.105 0.000 2.393 24 R HA 0.129 4.469 4.340 -0.000 0.000 0.244 24 R C 0.752 177.122 176.300 0.116 0.000 0.920 24 R CA -0.143 56.007 56.100 0.083 0.000 1.076 24 R CB -0.288 30.061 30.300 0.081 0.000 1.119 24 R HN 0.278 nan 8.270 nan 0.000 0.524 25 F N 0.306 120.231 119.950 -0.043 0.000 2.324 25 F HA 0.296 4.823 4.527 -0.000 0.000 0.260 25 F C 0.332 176.264 175.800 0.221 0.000 1.073 25 F CA 0.224 58.275 58.000 0.085 0.000 1.073 25 F CB 0.209 39.237 39.000 0.048 0.000 1.114 25 F HN -0.212 nan 8.300 nan 0.000 0.588 26 S N 0.016 115.826 115.700 0.184 0.000 2.619 26 S HA 0.247 4.717 4.470 -0.000 0.000 0.280 26 S C -1.748 172.921 174.600 0.116 0.000 1.150 26 S CA -0.785 57.455 58.200 0.066 0.000 0.978 26 S CB 0.865 64.003 63.200 -0.104 0.000 1.041 26 S HN 0.286 nan 8.310 nan 0.000 0.485 27 D N 3.606 124.064 120.400 0.096 0.000 2.435 27 D HA 0.350 4.990 4.640 -0.000 0.000 0.230 27 D C 1.215 177.554 176.300 0.065 0.000 1.215 27 D CA 0.049 54.110 54.000 0.101 0.000 0.947 27 D CB 0.498 41.371 40.800 0.121 0.000 1.048 27 D HN 0.701 nan 8.370 nan 0.000 0.512 28 G N 3.264 112.105 108.800 0.067 0.000 2.623 28 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.214 28 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.214 28 G C 0.676 175.602 174.900 0.043 0.000 1.138 28 G CA -0.209 44.919 45.100 0.047 0.000 0.794 28 G HN 0.471 nan 8.290 nan 0.000 0.535 29 N N -0.363 118.364 118.700 0.045 0.000 2.577 29 N HA 0.349 5.089 4.740 -0.000 0.000 0.275 29 N C -2.329 173.183 175.510 0.002 0.000 1.091 29 N CA -1.973 51.092 53.050 0.025 0.000 0.843 29 N CB 2.317 40.825 38.487 0.034 0.000 1.295 29 N HN -0.236 nan 8.380 nan 0.000 0.530 30 P HA 0.033 nan 4.420 nan 0.000 0.221 30 P C 0.824 178.066 177.300 -0.097 0.000 1.150 30 P CA 0.730 63.804 63.100 -0.044 0.000 0.800 30 P CB 0.347 32.033 31.700 -0.023 0.000 0.787 31 A N 0.949 123.727 122.820 -0.071 0.000 2.067 31 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 31 A C 1.702 179.221 177.584 -0.108 0.000 1.158 31 A CA 1.591 53.577 52.037 -0.085 0.000 0.661 31 A CB -1.354 17.615 19.000 -0.052 0.000 0.801 31 A HN 0.295 nan 8.150 nan 0.000 0.452 32 N N -0.073 118.567 118.700 -0.099 0.000 2.322 32 N HA 0.011 4.751 4.740 -0.000 0.000 0.194 32 N C -0.646 174.751 175.510 -0.188 0.000 1.126 32 N CA -0.240 52.738 53.050 -0.119 0.000 0.845 32 N CB -0.600 37.840 38.487 -0.077 0.000 0.976 32 N HN 0.169 nan 8.380 nan 0.000 0.475 33 N N 2.194 120.743 118.700 -0.252 0.000 2.497 33 N HA 0.245 4.985 4.740 -0.000 0.000 0.268 33 N C -2.325 172.910 175.510 -0.458 0.000 1.171 33 N CA -1.284 51.528 53.050 -0.397 0.000 0.948 33 N CB 0.254 38.320 38.487 -0.703 0.000 1.069 33 N HN 0.172 nan 8.380 nan 0.000 0.460 34 P HA -0.044 nan 4.420 nan 0.000 0.267 34 P C -0.125 177.009 177.300 -0.276 0.000 1.195 34 P CA 0.286 63.201 63.100 -0.309 0.000 0.773 34 P CB 0.395 31.904 31.700 -0.318 0.000 0.837 35 T N -1.386 113.084 114.554 -0.139 0.000 2.940 35 T HA 0.698 5.048 4.350 -0.000 0.000 0.288 35 T C 0.569 175.294 174.700 0.041 0.000 1.045 35 T CA -0.104 61.950 62.100 -0.076 0.000 1.018 35 T CB 1.507 70.314 68.868 -0.102 0.000 1.151 35 T HN 0.745 nan 8.240 nan 0.000 0.529 36 G N 0.906 109.748 108.800 0.070 0.000 2.527 36 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.268 36 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.268 36 G C 1.095 176.064 174.900 0.115 0.000 1.175 36 G CA 0.484 45.629 45.100 0.075 0.000 0.962 36 G HN 1.766 nan 8.290 nan 0.000 0.560 37 A N -0.194 122.680 122.820 0.090 0.000 2.168 37 A HA 0.499 4.818 4.320 -0.000 0.000 0.215 37 A C 2.641 180.302 177.584 0.129 0.000 1.152 37 A CA 2.407 54.499 52.037 0.093 0.000 0.716 37 A CB -0.612 18.429 19.000 0.069 0.000 0.794 37 A HN 2.229 nan 8.150 nan 0.000 0.465 38 A N -1.825 121.095 122.820 0.167 0.000 2.208 38 A HA 0.436 4.755 4.320 -0.000 0.000 0.209 38 A C 0.352 178.142 177.584 0.343 0.000 1.161 38 A CA 0.174 52.357 52.037 0.244 0.000 0.782 38 A CB -0.229 18.905 19.000 0.224 0.000 0.816 38 A HN 0.467 nan 8.150 nan 0.000 0.477 39 F N -0.260 119.746 119.950 0.094 0.000 2.532 39 F HA 0.591 5.118 4.527 -0.000 0.000 0.321 39 F C -1.413 174.422 175.800 0.060 0.000 1.089 39 F CA -1.718 56.335 58.000 0.087 0.000 0.926 39 F CB 1.852 40.875 39.000 0.038 0.000 1.168 39 F HN -0.015 nan 8.300 nan 0.000 0.459 40 D N 3.179 123.118 120.400 -0.769 0.000 2.358 40 D HA 0.289 4.929 4.640 -0.000 0.000 0.253 40 D C 0.831 176.553 176.300 -0.962 0.000 1.288 40 D CA -0.090 53.522 54.000 -0.647 0.000 0.950 40 D CB 1.280 41.899 40.800 -0.303 0.000 1.197 40 D HN 0.693 nan 8.370 nan 0.000 0.550 41 G N 1.560 109.763 108.800 -0.996 0.000 2.448 41 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 41 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 41 G C 1.340 176.107 174.900 -0.221 0.000 1.127 41 G CA 1.063 45.858 45.100 -0.510 0.000 0.766 41 G HN 0.520 nan 8.290 nan 0.000 0.552 42 S N -1.445 114.145 115.700 -0.184 0.000 2.522 42 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 42 S C 1.350 175.881 174.600 -0.115 0.000 0.986 42 S CA 0.584 58.719 58.200 -0.108 0.000 0.929 42 S CB -0.656 62.497 63.200 -0.078 0.000 0.769 42 S HN 0.830 nan 8.310 nan 0.000 0.529 43 c N 2.350 120.848 118.600 -0.171 0.000 4.235 43 c HA -0.171 4.398 4.570 -0.000 0.000 0.301 43 c C 1.626 175.647 174.090 -0.115 0.000 1.409 43 c CA 1.086 57.324 56.329 -0.152 0.000 2.024 43 c CB -2.851 39.593 42.510 -0.111 0.000 1.286 43 c HN 0.897 nan 8.230 nan 0.000 0.746 44 T N -3.143 111.348 114.554 -0.106 0.000 3.037 44 T HA 0.105 4.455 4.350 -0.000 0.000 0.251 44 T C 0.450 175.104 174.700 -0.077 0.000 1.079 44 T CA 0.748 62.801 62.100 -0.077 0.000 1.067 44 T CB -0.108 68.725 68.868 -0.058 0.000 0.948 44 T HN 0.668 nan 8.240 nan 0.000 0.496 45 N N 1.539 120.182 118.700 -0.095 0.000 2.527 45 N HA 0.201 4.940 4.740 -0.000 0.000 0.236 45 N C 0.139 175.566 175.510 -0.138 0.000 0.999 45 N CA -0.651 52.349 53.050 -0.084 0.000 0.935 45 N CB 0.988 39.438 38.487 -0.062 0.000 1.132 45 N HN 0.017 nan 8.380 nan 0.000 0.511 46 L N 3.370 124.509 121.223 -0.140 0.000 2.675 46 L HA 0.121 4.461 4.340 -0.000 0.000 0.238 46 L C 1.546 178.193 176.870 -0.371 0.000 1.155 46 L CA 0.771 55.472 54.840 -0.232 0.000 0.881 46 L CB -0.369 41.604 42.059 -0.143 0.000 1.008 46 L HN 0.478 nan 8.230 nan 0.000 0.443 47 R N -1.856 118.511 120.500 -0.222 0.000 2.397 47 R HA 0.304 4.644 4.340 -0.000 0.000 0.241 47 R C 0.010 176.243 176.300 -0.111 0.000 0.914 47 R CA -0.100 55.923 56.100 -0.128 0.000 1.071 47 R CB 0.507 30.858 30.300 0.085 0.000 1.116 47 R HN 0.181 nan 8.270 nan 0.000 0.524 48 L N -0.301 120.809 121.223 -0.188 0.000 2.335 48 L HA 0.403 4.743 4.340 -0.000 0.000 0.268 48 L C -0.237 176.566 176.870 -0.113 0.000 1.016 48 L CA -1.263 53.538 54.840 -0.065 0.000 0.805 48 L CB 0.564 42.605 42.059 -0.031 0.000 1.311 48 L HN -0.057 nan 8.230 nan 0.000 0.456 49 Y N -0.755 119.561 120.300 0.026 0.000 2.442 49 Y HA -0.000 4.550 4.550 -0.000 0.000 0.330 49 Y C 0.951 176.828 175.900 -0.038 0.000 1.129 49 Y CA -0.097 58.061 58.100 0.098 0.000 1.365 49 Y CB 0.853 39.456 38.460 0.238 0.000 1.233 49 Y HN 0.536 nan 8.280 nan 0.000 0.529 50 c N 0.893 119.563 118.600 0.117 0.000 2.735 50 c HA 0.296 4.866 4.570 -0.000 0.000 0.271 50 c C 1.787 176.026 174.090 0.248 0.000 1.281 50 c CA 0.599 56.913 56.329 -0.026 0.000 1.719 50 c CB -0.557 41.931 42.510 -0.036 0.000 2.024 50 c HN 1.219 nan 8.230 nan 0.000 0.566 51 G N 0.008 109.069 108.800 0.435 0.000 2.229 51 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.189 51 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.189 51 G C 0.370 175.420 174.900 0.250 0.000 1.000 51 G CA -0.126 45.228 45.100 0.423 0.000 0.663 51 G HN 0.762 nan 8.290 nan 0.000 0.493 52 G N 0.617 109.553 108.800 0.226 0.000 2.491 52 G HA2 0.550 4.510 3.960 -0.000 0.000 0.238 52 G HA3 0.550 4.510 3.960 -0.000 0.000 0.238 52 G C -0.030 174.955 174.900 0.142 0.000 1.277 52 G CA 1.075 46.280 45.100 0.174 0.000 0.851 52 G HN 1.034 nan 8.290 nan 0.000 0.573 53 D N -0.885 119.577 120.400 0.103 0.000 2.759 53 D HA 0.222 4.862 4.640 -0.000 0.000 0.321 53 D C 0.410 176.779 176.300 0.116 0.000 1.267 53 D CA -0.873 53.138 54.000 0.018 0.000 0.933 53 D CB 0.243 41.069 40.800 0.043 0.000 1.431 53 D HN 0.307 nan 8.370 nan 0.000 0.504 54 W N -0.518 120.849 121.300 0.110 0.000 2.436 54 W HA 0.000 4.660 4.660 -0.000 0.000 0.284 54 W C 2.034 178.598 176.519 0.074 0.000 1.225 54 W CA 0.814 58.208 57.345 0.082 0.000 1.271 54 W CB -0.898 28.637 29.460 0.125 0.000 1.114 54 W HN 0.533 nan 8.180 nan 0.000 0.559 55 Q N 0.432 120.401 119.800 0.282 0.000 2.170 55 Q HA -0.076 4.263 4.340 -0.000 0.000 0.203 55 Q C 2.359 178.442 176.000 0.139 0.000 0.976 55 Q CA 2.298 58.205 55.803 0.173 0.000 0.858 55 Q CB -0.956 27.858 28.738 0.127 0.000 0.907 55 Q HN 0.171 nan 8.270 nan 0.000 0.433 56 G N 0.129 109.024 108.800 0.158 0.000 2.408 56 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 56 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 56 G C 1.414 176.445 174.900 0.219 0.000 1.150 56 G CA 0.865 46.050 45.100 0.142 0.000 0.776 56 G HN 0.423 nan 8.290 nan 0.000 0.542 57 I N 0.488 121.238 120.570 0.300 0.000 2.252 57 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 57 I C 2.618 178.828 176.117 0.154 0.000 1.102 57 I CA 0.650 62.126 61.300 0.292 0.000 1.385 57 I CB -0.220 37.888 38.000 0.180 0.000 1.064 57 I HN 0.117 nan 8.210 nan 0.000 0.414 58 I N 1.112 121.744 120.570 0.104 0.000 2.194 58 I HA -0.333 3.837 4.170 -0.000 0.000 0.246 58 I C 2.195 178.319 176.117 0.012 0.000 1.093 58 I CA 1.409 62.733 61.300 0.039 0.000 1.355 58 I CB -0.547 37.483 38.000 0.049 0.000 1.046 58 I HN 0.329 nan 8.210 nan 0.000 0.413 59 N N 0.807 119.521 118.700 0.023 0.000 2.120 59 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 59 N C 1.660 177.138 175.510 -0.053 0.000 1.024 59 N CA 1.106 54.141 53.050 -0.026 0.000 0.852 59 N CB -0.176 38.282 38.487 -0.049 0.000 1.003 59 N HN 0.229 nan 8.380 nan 0.000 0.424 60 K N 0.540 120.934 120.400 -0.009 0.000 2.418 60 K HA 0.169 4.489 4.320 -0.000 0.000 0.195 60 K C 1.903 178.548 176.600 0.076 0.000 1.035 60 K CA 0.105 56.407 56.287 0.024 0.000 1.003 60 K CB 0.066 32.658 32.500 0.153 0.000 0.793 60 K HN 0.307 nan 8.250 nan 0.000 0.494 61 I N 0.707 121.275 120.570 -0.005 0.000 2.339 61 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 61 I C 1.649 177.604 176.117 -0.270 0.000 1.096 61 I CA 0.918 62.135 61.300 -0.139 0.000 1.408 61 I CB -0.225 37.665 38.000 -0.183 0.000 1.092 61 I HN 0.211 nan 8.210 nan 0.000 0.423 62 N N 0.950 119.521 118.700 -0.215 0.000 2.120 62 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 62 N C 0.999 176.475 175.510 -0.057 0.000 1.024 62 N CA 1.484 54.443 53.050 -0.151 0.000 0.852 62 N CB -0.087 38.368 38.487 -0.053 0.000 1.003 62 N HN 0.438 nan 8.380 nan 0.000 0.424 63 D N -0.522 119.854 120.400 -0.039 0.000 2.336 63 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 63 D C 1.069 177.383 176.300 0.024 0.000 1.061 63 D CA 0.367 54.362 54.000 -0.010 0.000 0.875 63 D CB -0.257 40.524 40.800 -0.033 0.000 0.904 63 D HN 0.252 nan 8.370 nan 0.000 0.525 64 G N -0.112 108.700 108.800 0.020 0.000 2.148 64 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.254 64 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.254 64 G C 0.543 175.501 174.900 0.096 0.000 0.981 64 G CA 0.432 45.558 45.100 0.044 0.000 0.670 64 G HN 0.417 nan 8.290 nan 0.000 0.528 65 Y N 0.220 120.534 120.300 0.023 0.000 2.163 65 Y HA 0.146 4.696 4.550 -0.000 0.000 0.288 65 Y C 2.450 178.434 175.900 0.140 0.000 1.136 65 Y CA 2.225 60.394 58.100 0.114 0.000 1.147 65 Y CB -0.136 38.366 38.460 0.071 0.000 0.987 65 Y HN 0.228 nan 8.280 nan 0.000 0.509 66 L N -0.283 120.954 121.223 0.025 0.000 2.095 66 L HA -0.090 4.250 4.340 -0.000 0.000 0.204 66 L C 2.669 179.435 176.870 -0.173 0.000 1.080 66 L CA 2.268 57.013 54.840 -0.158 0.000 0.759 66 L CB -1.683 40.339 42.059 -0.062 0.000 0.914 66 L HN 0.477 nan 8.230 nan 0.000 0.439 67 T N -4.200 110.305 114.554 -0.081 0.000 2.985 67 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 67 T C 1.937 176.603 174.700 -0.058 0.000 1.076 67 T CA 0.789 62.856 62.100 -0.055 0.000 1.135 67 T CB -0.732 68.141 68.868 0.008 0.000 0.890 67 T HN 0.274 nan 8.240 nan 0.000 0.480 68 G N 0.820 109.604 108.800 -0.028 0.000 2.443 68 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.219 68 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.219 68 G C 1.456 176.316 174.900 -0.067 0.000 1.131 68 G CA 0.494 45.614 45.100 0.032 0.000 0.775 68 G HN 0.508 nan 8.290 nan 0.000 0.547 69 M N 0.027 119.438 119.600 -0.316 0.000 2.558 69 M HA 0.223 4.703 4.480 -0.000 0.000 0.255 69 M C 1.748 177.837 176.300 -0.351 0.000 1.113 69 M CA 0.971 55.886 55.300 -0.643 0.000 1.097 69 M CB 0.351 32.408 32.600 -0.905 0.000 1.426 69 M HN 0.352 nan 8.290 nan 0.000 0.488 70 G N 1.138 109.810 108.800 -0.214 0.000 2.141 70 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 70 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 70 G C -0.004 174.820 174.900 -0.127 0.000 0.982 70 G CA -0.323 44.689 45.100 -0.146 0.000 0.662 70 G HN 0.355 nan 8.290 nan 0.000 0.527 71 I N 1.976 122.460 120.570 -0.142 0.000 2.648 71 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 71 I C 1.781 177.871 176.117 -0.045 0.000 1.153 71 I CA 1.502 62.752 61.300 -0.082 0.000 1.426 71 I CB 0.882 38.809 38.000 -0.123 0.000 1.381 71 I HN 0.375 nan 8.210 nan 0.000 0.571 72 T N 1.709 116.252 114.554 -0.019 0.000 3.043 72 T HA 0.622 4.972 4.350 -0.000 0.000 0.272 72 T C 0.191 174.894 174.700 0.006 0.000 0.990 72 T CA -0.112 61.968 62.100 -0.033 0.000 0.897 72 T CB 0.383 69.196 68.868 -0.091 0.000 1.111 72 T HN 0.690 nan 8.240 nan 0.000 0.529 73 A N 0.566 123.444 122.820 0.095 0.000 2.547 73 A HA 0.789 5.109 4.320 -0.000 0.000 0.297 73 A C -1.796 175.944 177.584 0.260 0.000 1.056 73 A CA -0.759 51.400 52.037 0.203 0.000 0.688 73 A CB 1.413 20.616 19.000 0.337 0.000 1.282 73 A HN 0.308 nan 8.150 nan 0.000 0.400 74 I N 1.356 122.090 120.570 0.272 0.000 2.509 74 I HA 0.673 4.842 4.170 -0.000 0.000 0.293 74 I C -1.389 174.945 176.117 0.361 0.000 1.020 74 I CA -0.120 61.342 61.300 0.268 0.000 1.088 74 I CB 1.696 39.783 38.000 0.145 0.000 1.267 74 I HN 0.729 nan 8.210 nan 0.000 0.430 75 W N 9.592 130.975 121.300 0.140 0.000 2.475 75 W HA 0.659 5.318 4.660 -0.000 0.000 0.320 75 W C -1.347 175.194 176.519 0.037 0.000 1.022 75 W CA -1.641 55.778 57.345 0.122 0.000 1.240 75 W CB 0.740 30.314 29.460 0.190 0.000 1.328 75 W HN 0.381 nan 8.180 nan 0.000 0.439 76 I N 2.415 123.135 120.570 0.250 0.000 2.863 76 I HA 0.656 4.826 4.170 -0.000 0.000 0.311 76 I C 0.427 176.516 176.117 -0.048 0.000 1.026 76 I CA -0.977 60.327 61.300 0.007 0.000 1.077 76 I CB 1.642 39.678 38.000 0.061 0.000 1.262 76 I HN 0.174 nan 8.210 nan 0.000 0.461 77 S N 1.774 117.307 115.700 -0.279 0.000 2.566 77 S HA -0.039 4.431 4.470 -0.000 0.000 0.280 77 S C 0.003 174.521 174.600 -0.136 0.000 1.343 77 S CA -0.306 57.651 58.200 -0.405 0.000 1.036 77 S CB 0.292 63.130 63.200 -0.603 0.000 0.866 77 S HN 0.715 nan 8.310 nan 0.000 0.526 78 Q N 3.053 122.752 119.800 -0.168 0.000 2.263 78 Q HA 0.008 4.348 4.340 -0.000 0.000 0.289 78 Q C -1.536 174.485 176.000 0.035 0.000 1.061 78 Q CA -1.136 54.625 55.803 -0.070 0.000 0.927 78 Q CB 0.589 29.261 28.738 -0.110 0.000 1.154 78 Q HN 0.343 nan 8.270 nan 0.000 0.378 79 P HA -0.028 nan 4.420 nan 0.000 0.245 79 P C 0.375 177.736 177.300 0.103 0.000 1.206 79 P CA 0.275 63.499 63.100 0.207 0.000 0.781 79 P CB -0.041 31.584 31.700 -0.125 0.000 0.994 80 V N -1.691 118.169 119.914 -0.090 0.000 3.051 80 V HA 0.241 4.361 4.120 -0.000 0.000 0.306 80 V C 0.481 176.528 176.094 -0.077 0.000 1.083 80 V CA -0.983 61.321 62.300 0.007 0.000 1.104 80 V CB 0.168 31.921 31.823 -0.117 0.000 1.027 80 V HN -0.034 nan 8.190 nan 0.000 0.483 81 E N 2.881 123.062 120.200 -0.032 0.000 2.465 81 E HA 0.079 4.429 4.350 -0.000 0.000 0.260 81 E C -0.143 176.317 176.600 -0.233 0.000 0.980 81 E CA 0.165 56.487 56.400 -0.129 0.000 0.927 81 E CB 0.247 29.922 29.700 -0.043 0.000 0.934 81 E HN 0.887 nan 8.360 nan 0.000 0.459 82 N N 2.902 121.397 118.700 -0.343 0.000 2.471 82 N HA 0.316 5.056 4.740 -0.000 0.000 0.288 82 N C -0.020 175.219 175.510 -0.452 0.000 1.220 82 N CA -0.791 52.076 53.050 -0.304 0.000 0.893 82 N CB 1.049 39.379 38.487 -0.260 0.000 1.256 82 N HN 0.450 nan 8.380 nan 0.000 0.534 83 I N -1.102 119.330 120.570 -0.229 0.000 2.892 83 I HA -0.006 4.163 4.170 -0.000 0.000 0.287 83 I C 0.004 175.922 176.117 -0.331 0.000 1.205 83 I CA 0.047 61.215 61.300 -0.219 0.000 1.409 83 I CB 0.237 38.211 38.000 -0.044 0.000 1.367 83 I HN 0.597 nan 8.210 nan 0.000 0.597 84 Y N 2.009 122.312 120.300 0.006 0.000 2.462 84 Y HA 0.150 4.700 4.550 -0.000 0.000 0.261 84 Y C 1.427 177.342 175.900 0.025 0.000 1.146 84 Y CA -0.180 57.922 58.100 0.003 0.000 1.283 84 Y CB -0.306 38.126 38.460 -0.046 0.000 1.090 84 Y HN 0.582 nan 8.280 nan 0.000 0.526 85 S N 0.543 116.308 115.700 0.108 0.000 2.568 85 S HA 0.185 4.655 4.470 -0.000 0.000 0.282 85 S C -0.038 174.609 174.600 0.078 0.000 1.338 85 S CA -0.594 57.631 58.200 0.041 0.000 1.045 85 S CB 1.309 64.454 63.200 -0.092 0.000 0.873 85 S HN -0.043 nan 8.310 nan 0.000 0.516 86 V N 3.907 123.854 119.914 0.056 0.000 2.348 86 V HA 0.300 4.420 4.120 -0.000 0.000 0.270 86 V C 0.039 176.138 176.094 0.009 0.000 1.037 86 V CA -0.363 61.987 62.300 0.083 0.000 0.872 86 V CB 0.163 32.036 31.823 0.084 0.000 1.002 86 V HN 0.717 nan 8.190 nan 0.000 0.464 87 I N 4.949 125.521 120.570 0.004 0.000 2.353 87 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 87 I C 0.382 176.406 176.117 -0.154 0.000 0.992 87 I CA -0.205 60.991 61.300 -0.174 0.000 1.268 87 I CB 1.152 38.953 38.000 -0.332 0.000 1.387 87 I HN 0.525 nan 8.210 nan 0.000 0.478 88 N N 6.681 125.282 118.700 -0.165 0.000 2.426 88 N HA 0.209 4.948 4.740 -0.000 0.000 0.257 88 N C -1.623 173.803 175.510 -0.139 0.000 1.002 88 N CA -0.277 52.732 53.050 -0.069 0.000 0.942 88 N CB 0.712 39.194 38.487 -0.009 0.000 1.112 88 N HN 0.406 nan 8.380 nan 0.000 0.499 89 Y N 2.012 122.384 120.300 0.120 0.000 2.417 89 Y HA 0.123 4.673 4.550 -0.000 0.000 0.336 89 Y C 0.859 176.803 175.900 0.072 0.000 0.961 89 Y CA -0.576 57.585 58.100 0.101 0.000 1.215 89 Y CB 0.975 39.503 38.460 0.113 0.000 1.120 89 Y HN 0.502 nan 8.280 nan 0.000 0.499 90 S N 2.964 118.776 115.700 0.186 0.000 3.336 90 S HA -0.231 4.239 4.470 -0.000 0.000 0.362 90 S C 1.226 175.884 174.600 0.097 0.000 0.941 90 S CA 1.101 59.370 58.200 0.116 0.000 1.297 90 S CB -1.352 61.913 63.200 0.108 0.000 0.915 90 S HN 1.381 nan 8.310 nan 0.000 0.527 91 G N -1.288 107.562 108.800 0.083 0.000 2.490 91 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.214 91 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.214 91 G C 0.224 175.172 174.900 0.079 0.000 1.151 91 G CA -0.049 45.092 45.100 0.068 0.000 0.684 91 G HN 1.510 nan 8.290 nan 0.000 0.518 92 V N 2.631 122.612 119.914 0.111 0.000 2.465 92 V HA 0.651 4.771 4.120 -0.000 0.000 0.279 92 V C -0.089 176.095 176.094 0.149 0.000 1.045 92 V CA -0.968 61.402 62.300 0.116 0.000 0.938 92 V CB 1.257 33.149 31.823 0.114 0.000 0.986 92 V HN 0.409 nan 8.190 nan 0.000 0.467 93 N N 5.524 124.293 118.700 0.116 0.000 2.520 93 N HA 0.326 5.065 4.740 -0.000 0.000 0.273 93 N C -0.545 175.071 175.510 0.177 0.000 1.155 93 N CA 0.225 53.348 53.050 0.122 0.000 0.967 93 N CB 0.394 38.934 38.487 0.088 0.000 1.092 93 N HN 0.761 nan 8.380 nan 0.000 0.457 94 N N -0.221 118.620 118.700 0.235 0.000 2.225 94 N HA 0.412 5.152 4.740 -0.000 0.000 0.298 94 N C -0.683 175.016 175.510 0.315 0.000 1.076 94 N CA -0.429 52.820 53.050 0.332 0.000 0.792 94 N CB 2.191 41.035 38.487 0.594 0.000 1.498 94 N HN 0.538 nan 8.380 nan 0.000 0.474 95 T N -2.636 112.043 114.554 0.208 0.000 2.888 95 T HA 0.574 4.924 4.350 -0.000 0.000 0.288 95 T C 0.352 174.868 174.700 -0.306 0.000 1.063 95 T CA -0.743 61.432 62.100 0.124 0.000 1.010 95 T CB 1.588 70.543 68.868 0.145 0.000 1.214 95 T HN 0.359 nan 8.240 nan 0.000 0.533 96 A N 0.357 122.949 122.820 -0.380 0.000 2.503 96 A HA 0.290 4.610 4.320 -0.000 0.000 0.263 96 A C 1.289 178.132 177.584 -1.234 0.000 1.360 96 A CA -0.248 51.245 52.037 -0.907 0.000 0.969 96 A CB -1.687 17.155 19.000 -0.262 0.000 1.000 96 A HN 0.944 nan 8.150 nan 0.000 0.530 97 Y N 0.017 119.511 120.300 -1.344 0.000 2.241 97 Y HA -0.335 4.215 4.550 -0.000 0.000 0.286 97 Y C 1.820 177.365 175.900 -0.592 0.000 1.166 97 Y CA 1.817 59.179 58.100 -1.229 0.000 1.203 97 Y CB -1.106 36.849 38.460 -0.842 0.000 0.977 97 Y HN 0.648 nan 8.280 nan 0.000 0.529 98 H N -1.183 117.053 119.070 -1.391 0.000 2.555 98 H HA 0.332 4.888 4.556 -0.000 0.000 0.269 98 H C 1.927 176.628 175.328 -1.045 0.000 0.988 98 H CA -0.138 55.204 56.048 -1.176 0.000 1.178 98 H CB -0.571 28.518 29.762 -1.122 0.000 1.373 98 H HN 0.468 nan 8.280 nan 0.000 0.588 99 G N -0.200 108.226 108.800 -0.624 0.000 2.179 99 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.260 99 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.260 99 G C 0.377 175.118 174.900 -0.266 0.000 0.977 99 G CA 0.563 45.432 45.100 -0.385 0.000 0.641 99 G HN 0.521 nan 8.290 nan 0.000 0.533 100 Y N -1.473 118.850 120.300 0.039 0.000 2.466 100 Y HA 0.388 4.938 4.550 -0.000 0.000 0.272 100 Y C 0.943 177.050 175.900 0.345 0.000 1.169 100 Y CA -0.672 57.488 58.100 0.100 0.000 1.285 100 Y CB 0.334 38.775 38.460 -0.032 0.000 1.078 100 Y HN 0.372 nan 8.280 nan 0.000 0.523 101 W N 1.510 122.923 121.300 0.188 0.000 1.967 101 W HA 0.687 5.347 4.660 -0.000 0.000 0.296 101 W C 0.139 176.629 176.519 -0.048 0.000 0.817 101 W CA -2.143 55.264 57.345 0.105 0.000 1.981 101 W CB -0.571 28.931 29.460 0.069 0.000 2.207 101 W HN -0.166 nan 8.180 nan 0.000 0.374 102 A N 1.948 124.817 122.820 0.081 0.000 2.498 102 A HA 0.348 4.668 4.320 -0.000 0.000 0.239 102 A C 1.336 178.864 177.584 -0.093 0.000 1.068 102 A CA 0.432 52.335 52.037 -0.223 0.000 0.766 102 A CB 0.506 19.035 19.000 -0.785 0.000 1.003 102 A HN 0.654 nan 8.150 nan 0.000 0.497 103 R N -0.010 120.431 120.500 -0.099 0.000 2.573 103 R HA 0.292 4.632 4.340 -0.000 0.000 0.224 103 R C -0.626 175.796 176.300 0.204 0.000 0.904 103 R CA 0.395 56.560 56.100 0.108 0.000 0.995 103 R CB 0.579 30.945 30.300 0.110 0.000 1.430 103 R HN 0.478 nan 8.270 nan 0.000 0.631 104 D N 0.042 120.492 120.400 0.084 0.000 2.602 104 D HA 0.205 4.845 4.640 -0.000 0.000 0.245 104 D C -0.751 175.692 176.300 0.238 0.000 1.325 104 D CA -0.744 53.420 54.000 0.273 0.000 0.952 104 D CB 0.943 41.874 40.800 0.218 0.000 1.317 104 D HN 0.039 nan 8.370 nan 0.000 0.577 105 F N 1.781 121.968 119.950 0.394 0.000 2.802 105 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 105 F C 2.069 178.136 175.800 0.444 0.000 1.168 105 F CA 0.338 58.558 58.000 0.367 0.000 1.433 105 F CB 0.391 39.553 39.000 0.270 0.000 1.115 105 F HN 0.108 nan 8.300 nan 0.000 0.582 106 K N 0.115 120.783 120.400 0.448 0.000 2.358 106 K HA 0.214 4.534 4.320 -0.000 0.000 0.197 106 K C 0.309 177.004 176.600 0.158 0.000 1.025 106 K CA 0.251 56.674 56.287 0.227 0.000 1.104 106 K CB 0.550 33.150 32.500 0.166 0.000 0.855 106 K HN 0.216 nan 8.250 nan 0.000 0.531 107 K N 0.638 121.190 120.400 0.253 0.000 2.352 107 K HA 0.275 4.595 4.320 -0.000 0.000 0.240 107 K C -0.159 176.617 176.600 0.294 0.000 1.017 107 K CA -0.599 55.804 56.287 0.193 0.000 0.851 107 K CB 1.692 34.273 32.500 0.136 0.000 1.261 107 K HN -0.050 nan 8.250 nan 0.000 0.451 108 T N -1.406 113.313 114.554 0.275 0.000 2.899 108 T HA 0.178 4.528 4.350 -0.000 0.000 0.284 108 T C 0.198 174.973 174.700 0.124 0.000 1.004 108 T CA -0.849 61.459 62.100 0.347 0.000 1.043 108 T CB 0.774 69.937 68.868 0.492 0.000 1.013 108 T HN 0.422 nan 8.240 nan 0.000 0.518 109 N N 2.689 121.383 118.700 -0.009 0.000 2.420 109 N HA 0.165 4.905 4.740 -0.000 0.000 0.262 109 N C -1.349 173.996 175.510 -0.274 0.000 1.144 109 N CA -2.343 50.541 53.050 -0.276 0.000 0.952 109 N CB 1.058 39.159 38.487 -0.644 0.000 1.081 109 N HN 0.397 nan 8.380 nan 0.000 0.480 110 P HA -0.060 nan 4.420 nan 0.000 0.226 110 P C 0.721 177.904 177.300 -0.194 0.000 1.153 110 P CA 0.596 63.631 63.100 -0.107 0.000 0.777 110 P CB 0.221 31.906 31.700 -0.025 0.000 0.794 111 A N -0.859 121.771 122.820 -0.316 0.000 1.969 111 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 111 A C 1.933 179.407 177.584 -0.184 0.000 1.169 111 A CA 1.129 52.979 52.037 -0.313 0.000 0.635 111 A CB -1.364 17.329 19.000 -0.512 0.000 0.810 111 A HN 0.074 nan 8.150 nan 0.000 0.445 112 Y N -0.847 119.170 120.300 -0.472 0.000 2.301 112 Y HA 0.385 4.935 4.550 -0.000 0.000 0.295 112 Y C 1.561 176.950 175.900 -0.851 0.000 1.119 112 Y CA 0.122 57.685 58.100 -0.895 0.000 1.162 112 Y CB -0.661 36.842 38.460 -1.594 0.000 1.046 112 Y HN 0.409 nan 8.280 nan 0.000 0.538 113 G N -1.121 107.419 108.800 -0.433 0.000 2.324 113 G HA2 0.320 4.280 3.960 -0.000 0.000 0.293 113 G HA3 0.320 4.280 3.960 -0.000 0.000 0.293 113 G C -0.766 174.289 174.900 0.258 0.000 1.297 113 G CA -0.495 44.649 45.100 0.073 0.000 0.853 113 G HN 0.153 nan 8.290 nan 0.000 0.535 114 T N -2.124 112.628 114.554 0.330 0.000 2.824 114 T HA 0.450 4.800 4.350 -0.000 0.000 0.277 114 T C 1.654 176.604 174.700 0.417 0.000 0.975 114 T CA 0.452 62.726 62.100 0.291 0.000 0.966 114 T CB 1.256 70.234 68.868 0.184 0.000 1.054 114 T HN 0.653 nan 8.240 nan 0.000 0.533 115 M N 0.432 120.210 119.600 0.297 0.000 2.202 115 M HA -0.066 4.414 4.480 -0.000 0.000 0.262 115 M C 2.307 178.753 176.300 0.243 0.000 1.063 115 M CA 1.662 57.118 55.300 0.260 0.000 1.097 115 M CB -1.065 31.613 32.600 0.130 0.000 1.382 115 M HN 0.847 nan 8.290 nan 0.000 0.413 116 Q N 0.139 120.055 119.800 0.194 0.000 2.119 116 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 116 Q C 1.492 177.598 176.000 0.177 0.000 0.972 116 Q CA 2.013 57.907 55.803 0.151 0.000 0.847 116 Q CB -0.364 28.442 28.738 0.114 0.000 0.903 116 Q HN 0.515 nan 8.270 nan 0.000 0.433 117 D N -0.660 119.898 120.400 0.264 0.000 2.117 117 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 117 D C 1.521 177.970 176.300 0.250 0.000 0.987 117 D CA 0.892 55.080 54.000 0.312 0.000 0.829 117 D CB -0.304 40.790 40.800 0.490 0.000 0.961 117 D HN 0.307 nan 8.370 nan 0.000 0.460 118 F N 1.510 121.500 119.950 0.067 0.000 2.102 118 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 118 F C 2.234 177.932 175.800 -0.170 0.000 1.105 118 F CA 1.265 59.073 58.000 -0.321 0.000 1.239 118 F CB 0.177 38.999 39.000 -0.297 0.000 0.991 118 F HN -0.234 nan 8.300 nan 0.000 0.474 119 K N 0.745 121.171 120.400 0.044 0.000 2.009 119 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 119 K C 1.707 178.240 176.600 -0.111 0.000 1.049 119 K CA 1.872 58.140 56.287 -0.032 0.000 0.929 119 K CB -0.529 31.997 32.500 0.043 0.000 0.714 119 K HN 0.189 nan 8.250 nan 0.000 0.440 120 N N 0.410 119.081 118.700 -0.049 0.000 2.149 120 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 120 N C 1.586 177.026 175.510 -0.117 0.000 1.019 120 N CA 0.928 53.951 53.050 -0.045 0.000 0.857 120 N CB -0.328 38.172 38.487 0.022 0.000 0.997 120 N HN 0.089 nan 8.380 nan 0.000 0.426 121 L N 0.821 121.915 121.223 -0.215 0.000 2.056 121 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 121 L C 1.822 178.461 176.870 -0.385 0.000 1.078 121 L CA 1.301 55.962 54.840 -0.299 0.000 0.749 121 L CB -0.409 41.360 42.059 -0.483 0.000 0.901 121 L HN 0.027 nan 8.230 nan 0.000 0.433 122 I N -0.055 120.198 120.570 -0.528 0.000 2.179 122 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 122 I C 2.077 177.869 176.117 -0.543 0.000 1.088 122 I CA 1.345 62.283 61.300 -0.604 0.000 1.357 122 I CB -1.457 36.225 38.000 -0.531 0.000 1.051 122 I HN 0.320 nan 8.210 nan 0.000 0.409 123 D N 0.349 120.578 120.400 -0.285 0.000 2.183 123 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 123 D C 2.243 178.516 176.300 -0.045 0.000 0.969 123 D CA 1.791 55.713 54.000 -0.130 0.000 0.842 123 D CB -0.197 40.569 40.800 -0.056 0.000 0.957 123 D HN 0.409 nan 8.370 nan 0.000 0.484 124 T N -1.430 113.099 114.554 -0.041 0.000 2.942 124 T HA 0.140 4.490 4.350 -0.000 0.000 0.265 124 T C 2.076 176.850 174.700 0.123 0.000 1.062 124 T CA 0.961 63.103 62.100 0.070 0.000 1.139 124 T CB -0.113 68.777 68.868 0.037 0.000 0.883 124 T HN 0.054 nan 8.240 nan 0.000 0.468 125 A N 1.892 124.710 122.820 -0.004 0.000 1.855 125 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 125 A C 2.291 179.971 177.584 0.160 0.000 1.191 125 A CA 1.565 53.624 52.037 0.038 0.000 0.613 125 A CB -1.107 17.861 19.000 -0.053 0.000 0.829 125 A HN 0.574 nan 8.150 nan 0.000 0.442 126 H N -0.086 118.989 119.070 0.009 0.000 2.387 126 H HA 0.030 4.586 4.556 -0.000 0.000 0.299 126 H C 2.374 177.695 175.328 -0.012 0.000 1.090 126 H CA 1.000 57.043 56.048 -0.008 0.000 1.332 126 H CB -0.688 29.060 29.762 -0.022 0.000 1.386 126 H HN 0.496 nan 8.280 nan 0.000 0.516 127 A N 0.319 123.212 122.820 0.122 0.000 2.067 127 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 127 A C 1.302 178.786 177.584 -0.166 0.000 1.158 127 A CA 1.094 53.117 52.037 -0.023 0.000 0.661 127 A CB -0.342 18.631 19.000 -0.044 0.000 0.801 127 A HN 0.491 nan 8.150 nan 0.000 0.452 128 H N -0.401 118.680 119.070 0.018 0.000 2.487 128 H HA 0.107 4.662 4.556 -0.000 0.000 0.290 128 H C -0.156 175.168 175.328 -0.007 0.000 1.081 128 H CA -0.077 55.972 56.048 0.003 0.000 1.116 128 H CB 0.109 29.873 29.762 0.003 0.000 1.560 128 H HN 0.465 nan 8.280 nan 0.000 0.548 129 N N 0.918 119.650 118.700 0.054 0.000 2.721 129 N HA -0.188 4.551 4.740 -0.000 0.000 0.249 129 N C -0.362 175.153 175.510 0.007 0.000 1.072 129 N CA 0.668 53.718 53.050 0.000 0.000 0.710 129 N CB -1.509 36.955 38.487 -0.038 0.000 0.993 129 N HN 0.478 nan 8.380 nan 0.000 0.547 130 I N 0.710 121.323 120.570 0.071 0.000 2.378 130 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 130 I C 0.675 176.876 176.117 0.140 0.000 0.992 130 I CA -0.576 60.767 61.300 0.072 0.000 1.154 130 I CB 1.421 39.465 38.000 0.074 0.000 1.315 130 I HN -0.191 nan 8.210 nan 0.000 0.448 131 K N 4.540 124.994 120.400 0.091 0.000 2.154 131 K HA 0.584 4.904 4.320 -0.000 0.000 0.264 131 K C -0.978 175.771 176.600 0.248 0.000 1.008 131 K CA -0.566 55.820 56.287 0.166 0.000 0.937 131 K CB 1.704 34.214 32.500 0.017 0.000 1.002 131 K HN 0.270 nan 8.250 nan 0.000 0.469 132 V N 3.927 124.007 119.914 0.276 0.000 2.483 132 V HA 0.368 4.488 4.120 -0.000 0.000 0.297 132 V C -0.460 175.785 176.094 0.251 0.000 1.027 132 V CA -0.742 61.673 62.300 0.193 0.000 0.855 132 V CB 1.261 33.091 31.823 0.012 0.000 0.995 132 V HN 0.597 nan 8.190 nan 0.000 0.424 133 I N 6.047 126.778 120.570 0.267 0.000 2.412 133 I HA 0.572 4.742 4.170 -0.000 0.000 0.296 133 I C -0.257 175.981 176.117 0.202 0.000 0.987 133 I CA -0.597 60.823 61.300 0.200 0.000 1.180 133 I CB 1.791 39.891 38.000 0.166 0.000 1.340 133 I HN 0.608 nan 8.210 nan 0.000 0.455 134 I N 1.278 121.922 120.570 0.124 0.000 2.530 134 I HA 0.555 4.725 4.170 -0.000 0.000 0.297 134 I C -0.667 175.502 176.117 0.087 0.000 1.011 134 I CA -0.911 60.469 61.300 0.134 0.000 1.107 134 I CB 1.429 39.470 38.000 0.070 0.000 1.285 134 I HN 0.290 nan 8.210 nan 0.000 0.436 135 D N 4.052 124.545 120.400 0.155 0.000 2.423 135 D HA 0.296 4.936 4.640 -0.000 0.000 0.238 135 D C -1.240 175.178 176.300 0.197 0.000 1.142 135 D CA 0.864 54.955 54.000 0.152 0.000 0.884 135 D CB 1.045 41.931 40.800 0.142 0.000 1.199 135 D HN 0.529 nan 8.370 nan 0.000 0.438 136 F N 0.245 120.217 119.950 0.037 0.000 2.588 136 F HA 0.456 4.983 4.527 -0.000 0.000 0.318 136 F C -1.092 174.790 175.800 0.136 0.000 1.155 136 F CA -0.657 57.397 58.000 0.091 0.000 0.967 136 F CB 1.448 40.514 39.000 0.110 0.000 1.236 136 F HN 0.299 nan 8.300 nan 0.000 0.455 137 A N 7.196 129.934 122.820 -0.137 0.000 2.938 137 A HA 0.454 4.774 4.320 -0.000 0.000 0.344 137 A C -2.390 175.074 177.584 -0.200 0.000 1.142 137 A CA -1.149 50.842 52.037 -0.078 0.000 0.841 137 A CB -0.220 18.796 19.000 0.026 0.000 1.083 137 A HN 0.459 nan 8.150 nan 0.000 0.479 138 P HA -0.025 nan 4.420 nan 0.000 0.249 138 P C 0.532 177.759 177.300 -0.122 0.000 1.241 138 P CA 0.472 63.407 63.100 -0.274 0.000 0.781 138 P CB 0.198 31.782 31.700 -0.193 0.000 1.088 139 N N 0.812 119.437 118.700 -0.124 0.000 2.354 139 N HA -0.084 4.656 4.740 -0.000 0.000 0.179 139 N C 0.669 176.191 175.510 0.020 0.000 1.021 139 N CA 0.504 53.565 53.050 0.017 0.000 0.887 139 N CB -0.030 38.511 38.487 0.090 0.000 0.974 139 N HN 0.324 nan 8.380 nan 0.000 0.437 140 H N -4.692 114.444 119.070 0.110 0.000 2.981 140 H HA 0.273 4.829 4.556 -0.000 0.000 0.327 140 H C -0.113 175.352 175.328 0.228 0.000 1.342 140 H CA -0.152 55.970 56.048 0.123 0.000 1.123 140 H CB 0.788 30.603 29.762 0.089 0.000 1.851 140 H HN 0.025 nan 8.280 nan 0.000 0.531 141 T N -0.684 114.101 114.554 0.384 0.000 3.555 141 T HA 0.332 4.682 4.350 -0.000 0.000 0.201 141 T C 0.700 175.576 174.700 0.292 0.000 0.850 141 T CA 0.821 63.125 62.100 0.339 0.000 1.646 141 T CB -0.506 68.555 68.868 0.321 0.000 1.774 141 T HN 0.828 nan 8.240 nan 0.000 0.447 142 S N 0.663 116.393 115.700 0.050 0.000 2.720 142 S HA 0.674 5.144 4.470 -0.000 0.000 0.287 142 S C -3.326 171.042 174.600 -0.388 0.000 1.168 142 S CA -1.616 56.478 58.200 -0.176 0.000 0.832 142 S CB 1.016 64.146 63.200 -0.117 0.000 1.166 142 S HN 0.252 nan 8.310 nan 0.000 0.493 143 P HA 0.404 nan 4.420 nan 0.000 0.262 143 P C -1.017 176.174 177.300 -0.182 0.000 1.182 143 P CA 0.533 63.411 63.100 -0.369 0.000 0.761 143 P CB 0.306 31.730 31.700 -0.460 0.000 0.795 144 A N 2.393 125.186 122.820 -0.045 0.000 2.594 144 A HA 0.672 4.992 4.320 -0.000 0.000 0.295 144 A C -1.007 176.613 177.584 0.060 0.000 1.071 144 A CA -0.453 51.567 52.037 -0.029 0.000 0.685 144 A CB 1.587 20.317 19.000 -0.451 0.000 1.285 144 A HN 0.324 nan 8.150 nan 0.000 0.405 145 S N 0.159 115.987 115.700 0.215 0.000 2.647 145 S HA 0.485 4.955 4.470 -0.000 0.000 0.300 145 S C 1.028 175.773 174.600 0.241 0.000 1.129 145 S CA 0.201 58.487 58.200 0.143 0.000 1.029 145 S CB 1.112 64.290 63.200 -0.036 0.000 1.007 145 S HN 1.690 nan 8.310 nan 0.000 0.484 146 S N 3.175 119.057 115.700 0.304 0.000 2.428 146 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 146 S C 1.055 175.660 174.600 0.009 0.000 1.014 146 S CA 0.761 59.009 58.200 0.080 0.000 0.957 146 S CB -0.285 62.786 63.200 -0.216 0.000 0.784 146 S HN 0.751 nan 8.310 nan 0.000 0.499 147 D N 1.812 122.218 120.400 0.011 0.000 2.144 147 D HA 0.000 4.640 4.640 -0.000 0.000 0.200 147 D C 0.040 176.337 176.300 -0.005 0.000 0.978 147 D CA 1.131 55.121 54.000 -0.016 0.000 0.833 147 D CB -0.180 40.603 40.800 -0.027 0.000 0.961 147 D HN 0.434 nan 8.370 nan 0.000 0.470 148 D N -0.174 120.235 120.400 0.016 0.000 2.464 148 D HA 0.113 4.753 4.640 -0.000 0.000 0.243 148 D C -1.832 174.519 176.300 0.086 0.000 1.104 148 D CA -2.165 51.857 54.000 0.036 0.000 0.883 148 D CB 1.688 42.501 40.800 0.021 0.000 1.050 148 D HN -0.088 nan 8.370 nan 0.000 0.524 149 P HA -0.114 nan 4.420 nan 0.000 0.228 149 P C 0.905 178.242 177.300 0.062 0.000 1.151 149 P CA 0.612 63.747 63.100 0.059 0.000 0.770 149 P CB 0.200 31.916 31.700 0.026 0.000 0.786 150 S N -1.673 114.071 115.700 0.072 0.000 2.528 150 S HA 0.014 4.484 4.470 -0.000 0.000 0.219 150 S C 0.519 175.164 174.600 0.074 0.000 0.985 150 S CA -0.648 57.586 58.200 0.056 0.000 0.914 150 S CB -1.261 61.967 63.200 0.046 0.000 0.776 150 S HN 0.063 nan 8.310 nan 0.000 0.526 151 F N 3.618 123.543 119.950 -0.043 0.000 2.541 151 F HA 0.457 4.983 4.527 -0.000 0.000 0.378 151 F C 1.073 176.825 175.800 -0.080 0.000 1.068 151 F CA 0.117 58.076 58.000 -0.068 0.000 1.199 151 F CB -0.022 38.933 39.000 -0.075 0.000 1.091 151 F HN 0.521 nan 8.300 nan 0.000 0.555 152 A N 4.748 127.081 122.820 -0.812 0.000 5.391 152 A HA -0.364 3.956 4.320 -0.000 0.000 0.315 152 A C 0.919 178.320 177.584 -0.305 0.000 1.874 152 A CA 1.554 53.180 52.037 -0.685 0.000 0.714 152 A CB -1.351 17.026 19.000 -1.037 0.000 1.335 152 A HN 0.829 nan 8.150 nan 0.000 0.382 153 E N 1.009 121.075 120.200 -0.224 0.000 2.685 153 E HA 0.251 4.601 4.350 -0.000 0.000 0.208 153 E C 0.314 176.879 176.600 -0.058 0.000 0.996 153 E CA 0.357 56.713 56.400 -0.073 0.000 1.054 153 E CB -0.021 29.684 29.700 0.008 0.000 1.075 153 E HN 0.662 nan 8.360 nan 0.000 0.460 154 N N 0.829 119.472 118.700 -0.094 0.000 2.721 154 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 154 N C 0.698 176.139 175.510 -0.116 0.000 1.072 154 N CA 0.448 53.471 53.050 -0.045 0.000 0.710 154 N CB -0.836 37.656 38.487 0.007 0.000 0.993 154 N HN 0.581 nan 8.380 nan 0.000 0.547 155 G N 0.041 108.735 108.800 -0.177 0.000 2.187 155 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.261 155 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.261 155 G C 0.201 175.057 174.900 -0.074 0.000 1.000 155 G CA 0.766 45.729 45.100 -0.228 0.000 0.718 155 G HN 0.650 nan 8.290 nan 0.000 0.519 156 R N -0.825 119.688 120.500 0.021 0.000 2.522 156 R HA 0.339 4.678 4.340 -0.000 0.000 0.284 156 R C 0.163 176.559 176.300 0.160 0.000 1.032 156 R CA -0.303 55.841 56.100 0.073 0.000 1.049 156 R CB 0.577 30.893 30.300 0.027 0.000 0.956 156 R HN 0.248 nan 8.270 nan 0.000 0.422 157 L N 4.532 125.820 121.223 0.109 0.000 2.296 157 L HA 0.364 4.704 4.340 -0.000 0.000 0.286 157 L C -1.365 175.430 176.870 -0.124 0.000 1.023 157 L CA -0.363 54.544 54.840 0.112 0.000 0.812 157 L CB 0.812 42.909 42.059 0.063 0.000 1.223 157 L HN 0.421 nan 8.230 nan 0.000 0.421 158 Y N 2.138 122.482 120.300 0.073 0.000 2.549 158 Y HA 0.512 5.062 4.550 -0.000 0.000 0.339 158 Y C -0.472 175.495 175.900 0.111 0.000 1.053 158 Y CA -0.790 57.351 58.100 0.069 0.000 1.105 158 Y CB 1.780 40.303 38.460 0.106 0.000 1.258 158 Y HN 0.551 nan 8.280 nan 0.000 0.478 159 D N 1.396 121.967 120.400 0.286 0.000 2.440 159 D HA 0.145 4.785 4.640 -0.000 0.000 0.252 159 D C -0.593 175.894 176.300 0.312 0.000 1.180 159 D CA -0.516 53.719 54.000 0.392 0.000 0.894 159 D CB 0.084 41.044 40.800 0.267 0.000 1.111 159 D HN 0.668 nan 8.370 nan 0.000 0.544 160 N N 3.195 122.078 118.700 0.304 0.000 2.716 160 N HA -0.272 4.468 4.740 -0.000 0.000 0.250 160 N C 0.974 176.582 175.510 0.163 0.000 1.033 160 N CA 1.432 54.598 53.050 0.194 0.000 0.727 160 N CB -0.806 37.768 38.487 0.145 0.000 0.950 160 N HN 0.794 nan 8.380 nan 0.000 0.541 161 G N -1.290 107.626 108.800 0.194 0.000 2.284 161 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.216 161 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.216 161 G C -0.048 175.019 174.900 0.279 0.000 1.009 161 G CA 0.086 45.283 45.100 0.162 0.000 0.625 161 G HN 0.629 nan 8.290 nan 0.000 0.501 162 N N 1.053 119.906 118.700 0.255 0.000 2.422 162 N HA 0.495 5.235 4.740 -0.000 0.000 0.264 162 N C 0.342 175.945 175.510 0.155 0.000 1.063 162 N CA -0.495 52.672 53.050 0.195 0.000 0.959 162 N CB 0.578 39.135 38.487 0.117 0.000 1.087 162 N HN 0.302 nan 8.380 nan 0.000 0.483 163 L N 5.219 126.463 121.223 0.036 0.000 2.477 163 L HA 0.035 4.375 4.340 -0.000 0.000 0.272 163 L C 0.952 177.697 176.870 -0.208 0.000 1.157 163 L CA 0.039 54.684 54.840 -0.325 0.000 0.889 163 L CB 0.423 42.292 42.059 -0.317 0.000 1.158 163 L HN 0.723 nan 8.230 nan 0.000 0.473 164 L N 4.648 125.719 121.223 -0.254 0.000 2.168 164 L HA 0.293 4.633 4.340 -0.000 0.000 0.203 164 L C 0.954 177.738 176.870 -0.143 0.000 1.078 164 L CA 0.618 55.348 54.840 -0.183 0.000 0.780 164 L CB -0.165 41.744 42.059 -0.249 0.000 0.939 164 L HN 0.788 nan 8.230 nan 0.000 0.451 165 G N -1.410 107.312 108.800 -0.130 0.000 2.316 165 G HA2 0.426 4.386 3.960 -0.000 0.000 0.296 165 G HA3 0.426 4.386 3.960 -0.000 0.000 0.296 165 G C -1.439 173.531 174.900 0.116 0.000 1.399 165 G CA -0.172 44.924 45.100 -0.006 0.000 0.833 165 G HN 0.147 nan 8.290 nan 0.000 0.565 166 G N -1.836 107.041 108.800 0.128 0.000 2.735 166 G HA2 0.512 4.471 3.960 -0.000 0.000 0.301 166 G HA3 0.512 4.471 3.960 -0.000 0.000 0.301 166 G C 0.150 175.085 174.900 0.058 0.000 1.279 166 G CA -0.324 44.819 45.100 0.072 0.000 1.019 166 G HN 0.645 nan 8.290 nan 0.000 0.497 167 Y N 0.085 120.191 120.300 -0.324 0.000 2.286 167 Y HA 0.151 4.701 4.550 -0.000 0.000 0.293 167 Y C 1.846 177.704 175.900 -0.071 0.000 1.124 167 Y CA 1.009 58.895 58.100 -0.356 0.000 1.178 167 Y CB 0.014 38.207 38.460 -0.446 0.000 1.010 167 Y HN 0.318 nan 8.280 nan 0.000 0.536 168 T N 1.649 116.192 114.554 -0.020 0.000 2.869 168 T HA 0.087 4.437 4.350 -0.000 0.000 0.295 168 T C -0.005 174.648 174.700 -0.078 0.000 0.987 168 T CA -0.110 61.943 62.100 -0.079 0.000 1.109 168 T CB 0.410 69.264 68.868 -0.024 0.000 0.932 168 T HN 0.360 nan 8.240 nan 0.000 0.518 169 N N 1.761 120.387 118.700 -0.124 0.000 2.714 169 N HA -0.169 4.571 4.740 -0.000 0.000 0.253 169 N C -0.964 174.501 175.510 -0.075 0.000 1.024 169 N CA 0.308 53.295 53.050 -0.105 0.000 0.726 169 N CB -0.598 37.849 38.487 -0.066 0.000 0.908 169 N HN 0.627 nan 8.380 nan 0.000 0.542 170 D N -0.615 119.726 120.400 -0.098 0.000 2.558 170 D HA 0.162 4.801 4.640 -0.000 0.000 0.221 170 D C 1.364 177.634 176.300 -0.051 0.000 1.143 170 D CA 0.333 54.334 54.000 0.003 0.000 1.010 170 D CB 0.043 40.943 40.800 0.166 0.000 1.068 170 D HN 0.387 nan 8.370 nan 0.000 0.511 171 T N -0.051 114.474 114.554 -0.048 0.000 2.995 171 T HA -0.147 4.202 4.350 -0.000 0.000 0.269 171 T C 1.511 176.187 174.700 -0.040 0.000 1.091 171 T CA 0.773 62.839 62.100 -0.057 0.000 1.128 171 T CB -0.101 68.737 68.868 -0.049 0.000 0.891 171 T HN 0.293 nan 8.240 nan 0.000 0.492 172 Q N 0.911 120.696 119.800 -0.025 0.000 2.432 172 Q HA 0.183 4.523 4.340 -0.000 0.000 0.205 172 Q C 0.255 176.236 176.000 -0.032 0.000 0.945 172 Q CA -0.115 55.669 55.803 -0.031 0.000 0.924 172 Q CB -0.012 28.700 28.738 -0.044 0.000 1.016 172 Q HN 0.385 nan 8.270 nan 0.000 0.503 173 N N 0.331 119.029 118.700 -0.003 0.000 2.738 173 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 173 N C 0.027 175.503 175.510 -0.058 0.000 1.047 173 N CA 0.406 53.471 53.050 0.025 0.000 0.707 173 N CB -0.954 37.537 38.487 0.006 0.000 0.937 173 N HN 0.354 nan 8.380 nan 0.000 0.545 174 L N -1.749 119.399 121.223 -0.126 0.000 2.291 174 L HA 0.048 4.388 4.340 -0.000 0.000 0.214 174 L C 0.710 177.151 176.870 -0.715 0.000 1.120 174 L CA 1.079 55.644 54.840 -0.458 0.000 0.799 174 L CB -0.107 41.548 42.059 -0.672 0.000 0.925 174 L HN 0.099 nan 8.230 nan 0.000 0.446 175 F N -2.473 117.420 119.950 -0.094 0.000 2.618 175 F HA 0.377 4.904 4.527 -0.000 0.000 0.332 175 F C 0.423 176.044 175.800 -0.298 0.000 1.061 175 F CA -0.959 56.920 58.000 -0.201 0.000 0.974 175 F CB 0.871 39.848 39.000 -0.038 0.000 1.310 175 F HN -0.224 nan 8.300 nan 0.000 0.491 176 H N -0.832 118.211 119.070 -0.045 0.000 2.525 176 H HA 0.307 4.863 4.556 -0.000 0.000 0.339 176 H C -1.020 174.024 175.328 -0.475 0.000 1.109 176 H CA -0.256 55.721 56.048 -0.120 0.000 1.352 176 H CB 0.588 30.448 29.762 0.163 0.000 1.461 176 H HN 0.517 nan 8.280 nan 0.000 0.533 177 H N 3.098 122.017 119.070 -0.252 0.000 2.535 177 H HA 0.117 4.673 4.556 -0.000 0.000 0.232 177 H C -0.833 174.241 175.328 -0.423 0.000 1.405 177 H CA -0.083 55.791 56.048 -0.290 0.000 1.224 177 H CB 0.006 29.548 29.762 -0.367 0.000 1.763 177 H HN 0.667 nan 8.280 nan 0.000 0.529 178 Y N 0.092 120.437 120.300 0.076 0.000 2.531 178 Y HA 0.389 4.939 4.550 -0.000 0.000 0.249 178 Y C 1.493 177.396 175.900 0.005 0.000 1.168 178 Y CA 0.210 58.313 58.100 0.007 0.000 1.226 178 Y CB 0.875 39.305 38.460 -0.050 0.000 1.177 178 Y HN 0.629 nan 8.280 nan 0.000 0.527 179 G N 0.009 108.887 108.800 0.130 0.000 2.685 179 G HA2 0.055 4.015 3.960 -0.000 0.000 0.387 179 G HA3 0.055 4.015 3.960 -0.000 0.000 0.387 179 G C 0.048 174.989 174.900 0.067 0.000 1.324 179 G CA -0.706 44.443 45.100 0.082 0.000 0.878 179 G HN 0.576 nan 8.290 nan 0.000 0.527 180 G N -0.997 107.815 108.800 0.020 0.000 2.400 180 G HA2 0.678 4.638 3.960 -0.000 0.000 0.301 180 G HA3 0.678 4.638 3.960 -0.000 0.000 0.301 180 G C 0.309 175.183 174.900 -0.044 0.000 1.154 180 G CA 0.962 46.050 45.100 -0.020 0.000 0.852 180 G HN 1.335 nan 8.290 nan 0.000 0.511 181 T N -0.574 113.929 114.554 -0.085 0.000 2.913 181 T HA 0.224 4.574 4.350 -0.000 0.000 0.297 181 T C 0.907 175.542 174.700 -0.108 0.000 1.029 181 T CA 0.087 62.127 62.100 -0.100 0.000 1.104 181 T CB 0.764 69.548 68.868 -0.140 0.000 0.964 181 T HN 0.602 nan 8.240 nan 0.000 0.532 182 D N 3.336 123.684 120.400 -0.087 0.000 2.395 182 D HA 0.073 4.713 4.640 -0.000 0.000 0.213 182 D C 1.423 177.675 176.300 -0.081 0.000 1.110 182 D CA -0.150 53.802 54.000 -0.080 0.000 0.835 182 D CB -0.598 40.166 40.800 -0.059 0.000 0.965 182 D HN 0.657 nan 8.370 nan 0.000 0.505 183 L N 0.655 121.825 121.223 -0.088 0.000 4.179 183 L HA -0.328 4.012 4.340 -0.000 0.000 0.418 183 L C 1.654 178.493 176.870 -0.052 0.000 1.168 183 L CA 0.663 55.461 54.840 -0.070 0.000 0.972 183 L CB -2.250 39.764 42.059 -0.075 0.000 2.005 183 L HN 0.227 nan 8.230 nan 0.000 0.935 184 S N -2.051 113.617 115.700 -0.053 0.000 2.383 184 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 184 S C 0.923 175.501 174.600 -0.036 0.000 1.026 184 S CA 1.170 59.345 58.200 -0.042 0.000 0.981 184 S CB -0.164 63.009 63.200 -0.045 0.000 0.818 184 S HN 0.674 nan 8.310 nan 0.000 0.472 185 T N -2.390 112.132 114.554 -0.054 0.000 2.883 185 T HA 0.652 5.002 4.350 -0.000 0.000 0.296 185 T C 0.849 175.502 174.700 -0.079 0.000 1.117 185 T CA -0.881 61.187 62.100 -0.052 0.000 1.006 185 T CB 0.942 69.764 68.868 -0.077 0.000 1.191 185 T HN 0.008 nan 8.240 nan 0.000 0.508 186 I N 0.467 121.001 120.570 -0.061 0.000 2.252 186 I HA -0.088 4.081 4.170 -0.000 0.000 0.245 186 I C 2.817 178.788 176.117 -0.244 0.000 1.102 186 I CA 1.445 62.689 61.300 -0.093 0.000 1.385 186 I CB -0.295 37.746 38.000 0.068 0.000 1.064 186 I HN 0.906 nan 8.210 nan 0.000 0.414 187 E N 1.487 121.436 120.200 -0.419 0.000 2.049 187 E HA -0.323 4.027 4.350 -0.000 0.000 0.198 187 E C 2.072 178.495 176.600 -0.295 0.000 1.007 187 E CA 1.714 57.689 56.400 -0.709 0.000 0.809 187 E CB -0.181 28.989 29.700 -0.883 0.000 0.749 187 E HN 0.400 nan 8.360 nan 0.000 0.450 188 N N -0.014 118.565 118.700 -0.202 0.000 2.104 188 N HA -0.129 4.610 4.740 -0.000 0.000 0.190 188 N C 1.908 177.356 175.510 -0.103 0.000 1.024 188 N CA 1.523 54.499 53.050 -0.122 0.000 0.853 188 N CB -0.345 38.081 38.487 -0.102 0.000 1.008 188 N HN 0.258 nan 8.380 nan 0.000 0.424 189 G N 0.416 109.161 108.800 -0.093 0.000 2.534 189 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.217 189 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.217 189 G C 1.712 176.610 174.900 -0.003 0.000 1.128 189 G CA 0.111 45.209 45.100 -0.004 0.000 0.784 189 G HN 0.317 nan 8.290 nan 0.000 0.542 190 I N -1.296 119.162 120.570 -0.187 0.000 2.339 190 I HA 0.031 4.201 4.170 -0.000 0.000 0.245 190 I C 1.856 177.705 176.117 -0.446 0.000 1.096 190 I CA 0.740 61.814 61.300 -0.377 0.000 1.408 190 I CB 0.065 37.642 38.000 -0.704 0.000 1.092 190 I HN 0.101 nan 8.210 nan 0.000 0.423 191 Y N 0.776 120.969 120.300 -0.177 0.000 2.478 191 Y HA 0.234 4.784 4.550 -0.000 0.000 0.261 191 Y C 0.848 176.632 175.900 -0.193 0.000 1.127 191 Y CA -0.113 57.769 58.100 -0.363 0.000 1.288 191 Y CB 0.080 38.219 38.460 -0.535 0.000 1.084 191 Y HN -0.110 nan 8.280 nan 0.000 0.530 192 K N 1.155 121.565 120.400 0.015 0.000 2.095 192 K HA 0.245 4.565 4.320 -0.000 0.000 0.252 192 K C -0.411 176.204 176.600 0.025 0.000 0.977 192 K CA -0.751 55.570 56.287 0.056 0.000 0.900 192 K CB 0.949 33.452 32.500 0.005 0.000 1.060 192 K HN 0.100 nan 8.250 nan 0.000 0.449 193 N N 1.525 120.247 118.700 0.037 0.000 2.530 193 N HA 0.108 4.848 4.740 -0.000 0.000 0.277 193 N C -0.767 174.681 175.510 -0.104 0.000 1.168 193 N CA -0.452 52.597 53.050 -0.002 0.000 0.979 193 N CB 0.807 39.302 38.487 0.014 0.000 1.141 193 N HN 0.171 nan 8.380 nan 0.000 0.459 194 L N 3.668 124.797 121.223 -0.157 0.000 2.282 194 L HA 0.264 4.604 4.340 -0.000 0.000 0.288 194 L C -0.570 176.191 176.870 -0.181 0.000 1.033 194 L CA 0.171 54.814 54.840 -0.328 0.000 0.807 194 L CB -0.395 41.408 42.059 -0.428 0.000 1.209 194 L HN 0.610 nan 8.230 nan 0.000 0.423 195 Y N 1.678 121.891 120.300 -0.146 0.000 2.877 195 Y HA -0.378 4.172 4.550 -0.000 0.000 0.467 195 Y C 0.997 176.823 175.900 -0.122 0.000 1.185 195 Y CA 1.507 59.528 58.100 -0.133 0.000 2.565 195 Y CB -1.213 37.160 38.460 -0.146 0.000 1.217 195 Y HN 0.768 nan 8.280 nan 0.000 0.629 196 D N 0.611 121.057 120.400 0.077 0.000 2.571 196 D HA 0.271 4.911 4.640 -0.000 0.000 0.239 196 D C -0.506 175.719 176.300 -0.126 0.000 1.267 196 D CA 0.042 54.027 54.000 -0.024 0.000 0.823 196 D CB -0.569 40.249 40.800 0.031 0.000 1.056 196 D HN 0.413 nan 8.370 nan 0.000 0.494 197 L N 1.102 122.245 121.223 -0.133 0.000 2.349 197 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 197 L C 0.718 177.434 176.870 -0.258 0.000 1.115 197 L CA -1.005 53.702 54.840 -0.221 0.000 0.820 197 L CB 1.113 43.017 42.059 -0.259 0.000 1.135 197 L HN 0.013 nan 8.230 nan 0.000 0.445 198 A N 2.590 125.185 122.820 -0.374 0.000 2.475 198 A HA 0.098 4.418 4.320 -0.000 0.000 0.293 198 A C -0.208 177.377 177.584 0.002 0.000 1.252 198 A CA -0.377 51.345 52.037 -0.524 0.000 0.920 198 A CB -0.498 18.017 19.000 -0.809 0.000 1.125 198 A HN 0.672 nan 8.150 nan 0.000 0.528 199 D N 2.119 122.554 120.400 0.059 0.000 2.417 199 D HA 0.310 4.950 4.640 -0.000 0.000 0.250 199 D C 0.218 176.547 176.300 0.049 0.000 1.166 199 D CA 0.495 54.572 54.000 0.127 0.000 0.881 199 D CB 0.506 41.423 40.800 0.194 0.000 1.164 199 D HN 0.480 nan 8.370 nan 0.000 0.467 200 L N 2.923 124.041 121.223 -0.174 0.000 2.417 200 L HA 0.172 4.511 4.340 -0.000 0.000 0.268 200 L C 0.716 176.987 176.870 -0.998 0.000 1.158 200 L CA -0.408 54.093 54.840 -0.565 0.000 0.819 200 L CB 0.470 42.160 42.059 -0.616 0.000 1.112 200 L HN 0.320 nan 8.230 nan 0.000 0.458 201 N N 0.567 118.713 118.700 -0.924 0.000 2.527 201 N HA 0.137 4.877 4.740 -0.000 0.000 0.236 201 N C 0.345 175.484 175.510 -0.620 0.000 0.999 201 N CA -0.248 52.324 53.050 -0.797 0.000 0.935 201 N CB 0.452 38.682 38.487 -0.428 0.000 1.132 201 N HN 0.435 nan 8.380 nan 0.000 0.511 202 H N 1.180 120.007 119.070 -0.404 0.000 2.555 202 H HA 0.062 4.618 4.556 -0.000 0.000 0.269 202 H C 0.968 176.179 175.328 -0.194 0.000 0.988 202 H CA 0.446 56.169 56.048 -0.541 0.000 1.178 202 H CB 0.283 29.344 29.762 -1.168 0.000 1.373 202 H HN 0.517 nan 8.280 nan 0.000 0.588 203 N N 0.676 119.399 118.700 0.039 0.000 2.398 203 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 203 N C -0.024 175.520 175.510 0.055 0.000 1.122 203 N CA -0.058 53.062 53.050 0.115 0.000 0.866 203 N CB 0.119 38.710 38.487 0.173 0.000 0.970 203 N HN 0.172 nan 8.380 nan 0.000 0.462 204 N N 0.190 118.876 118.700 -0.025 0.000 2.422 204 N HA 0.049 4.789 4.740 -0.000 0.000 0.264 204 N C 0.224 175.735 175.510 0.001 0.000 1.063 204 N CA 0.155 53.184 53.050 -0.034 0.000 0.959 204 N CB 1.182 39.600 38.487 -0.114 0.000 1.087 204 N HN -0.001 nan 8.380 nan 0.000 0.483 205 S N 2.235 117.957 115.700 0.036 0.000 2.387 205 S HA -0.137 4.333 4.470 -0.000 0.000 0.230 205 S C 1.749 176.385 174.600 0.059 0.000 1.035 205 S CA 1.425 59.664 58.200 0.065 0.000 1.014 205 S CB 0.025 63.262 63.200 0.062 0.000 0.836 205 S HN 0.685 nan 8.310 nan 0.000 0.466 206 S N 0.751 116.461 115.700 0.017 0.000 2.368 206 S HA -0.042 4.428 4.470 -0.000 0.000 0.224 206 S C 1.980 176.597 174.600 0.028 0.000 1.029 206 S CA 0.983 59.192 58.200 0.015 0.000 0.988 206 S CB -0.315 62.861 63.200 -0.040 0.000 0.838 206 S HN 0.341 nan 8.310 nan 0.000 0.462 207 V N 2.067 121.955 119.914 -0.045 0.000 2.358 207 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 207 V C 2.260 178.412 176.094 0.096 0.000 1.047 207 V CA 2.040 64.302 62.300 -0.064 0.000 1.035 207 V CB -0.731 30.927 31.823 -0.275 0.000 0.658 207 V HN 0.462 nan 8.190 nan 0.000 0.452 208 D N 0.174 120.654 120.400 0.133 0.000 2.103 208 D HA -0.186 4.454 4.640 -0.000 0.000 0.190 208 D C 2.008 178.506 176.300 0.330 0.000 0.997 208 D CA 1.987 56.190 54.000 0.338 0.000 0.833 208 D CB -0.167 40.834 40.800 0.335 0.000 0.961 208 D HN 0.176 nan 8.370 nan 0.000 0.447 209 V N -0.248 119.800 119.914 0.224 0.000 2.343 209 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 209 V C 2.116 178.326 176.094 0.193 0.000 1.051 209 V CA 1.862 64.269 62.300 0.180 0.000 1.036 209 V CB -0.877 31.024 31.823 0.131 0.000 0.654 209 V HN 0.356 nan 8.190 nan 0.000 0.451 210 Y N 0.550 120.903 120.300 0.087 0.000 2.128 210 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 210 Y C 2.184 178.160 175.900 0.126 0.000 1.154 210 Y CA 1.754 59.904 58.100 0.083 0.000 1.149 210 Y CB -0.280 38.203 38.460 0.039 0.000 0.976 210 Y HN 0.152 nan 8.280 nan 0.000 0.505 211 L N 0.012 121.319 121.223 0.141 0.000 2.093 211 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 211 L C 2.413 179.459 176.870 0.294 0.000 1.085 211 L CA 1.561 56.487 54.840 0.143 0.000 0.755 211 L CB -0.434 41.806 42.059 0.301 0.000 0.904 211 L HN 0.163 nan 8.230 nan 0.000 0.435 212 K N -0.363 120.203 120.400 0.277 0.000 2.103 212 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 212 K C 1.673 178.280 176.600 0.012 0.000 1.052 212 K CA 1.162 57.553 56.287 0.173 0.000 0.945 212 K CB -0.061 32.521 32.500 0.137 0.000 0.722 212 K HN 0.197 nan 8.250 nan 0.000 0.443 213 D N 0.758 121.151 120.400 -0.012 0.000 2.144 213 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 213 D C 1.779 178.028 176.300 -0.084 0.000 0.984 213 D CA 1.199 55.155 54.000 -0.073 0.000 0.834 213 D CB -0.095 40.677 40.800 -0.047 0.000 0.955 213 D HN 0.193 nan 8.370 nan 0.000 0.465 214 A N 0.509 123.282 122.820 -0.079 0.000 1.898 214 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 214 A C 2.192 179.898 177.584 0.203 0.000 1.181 214 A CA 0.693 52.759 52.037 0.049 0.000 0.620 214 A CB -0.541 18.521 19.000 0.103 0.000 0.819 214 A HN 0.176 nan 8.150 nan 0.000 0.442 215 I N 0.024 120.650 120.570 0.094 0.000 2.286 215 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 215 I C 2.114 178.206 176.117 -0.040 0.000 1.115 215 I CA 1.553 62.781 61.300 -0.120 0.000 1.392 215 I CB -0.244 37.554 38.000 -0.336 0.000 1.065 215 I HN 0.249 nan 8.210 nan 0.000 0.418 216 K N -0.501 119.846 120.400 -0.089 0.000 2.147 216 K HA -0.194 4.126 4.320 -0.000 0.000 0.205 216 K C 2.152 178.753 176.600 0.002 0.000 1.049 216 K CA 1.656 57.889 56.287 -0.089 0.000 0.936 216 K CB -0.292 31.969 32.500 -0.398 0.000 0.722 216 K HN 0.395 nan 8.250 nan 0.000 0.446 217 M N -0.292 119.261 119.600 -0.078 0.000 2.086 217 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 217 M C 1.460 177.630 176.300 -0.216 0.000 1.067 217 M CA 1.858 57.046 55.300 -0.186 0.000 1.116 217 M CB -0.160 32.235 32.600 -0.341 0.000 1.348 217 M HN 0.218 nan 8.290 nan 0.000 0.407 218 W N 0.540 121.845 121.300 0.008 0.000 2.388 218 W HA -0.124 4.536 4.660 -0.000 0.000 0.294 218 W C 2.069 178.630 176.519 0.069 0.000 1.212 218 W CA 0.655 58.013 57.345 0.020 0.000 1.271 218 W CB -0.423 29.025 29.460 -0.019 0.000 1.126 218 W HN 0.198 nan 8.180 nan 0.000 0.535 219 L N -0.092 121.269 121.223 0.230 0.000 2.046 219 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 219 L C 1.910 178.878 176.870 0.163 0.000 1.077 219 L CA 1.230 56.182 54.840 0.187 0.000 0.747 219 L CB -0.837 41.339 42.059 0.195 0.000 0.896 219 L HN -0.084 nan 8.230 nan 0.000 0.432 220 D N -0.083 120.409 120.400 0.154 0.000 2.218 220 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 220 D C 1.981 178.334 176.300 0.088 0.000 0.976 220 D CA 0.923 54.987 54.000 0.105 0.000 0.853 220 D CB 0.013 40.864 40.800 0.086 0.000 0.939 220 D HN 0.138 nan 8.370 nan 0.000 0.481 221 L N -0.573 120.720 121.223 0.116 0.000 2.552 221 L HA 0.172 4.511 4.340 -0.000 0.000 0.227 221 L C 1.690 178.677 176.870 0.196 0.000 1.146 221 L CA 0.824 55.765 54.840 0.168 0.000 0.858 221 L CB -0.553 41.658 42.059 0.254 0.000 0.969 221 L HN 0.198 nan 8.230 nan 0.000 0.451 222 G N -0.968 107.943 108.800 0.186 0.000 2.138 222 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.193 222 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.193 222 G C 0.342 175.370 174.900 0.214 0.000 0.998 222 G CA 0.084 45.290 45.100 0.176 0.000 0.668 222 G HN 0.336 nan 8.290 nan 0.000 0.516 223 V N -2.025 118.042 119.914 0.256 0.000 2.963 223 V HA 0.571 4.690 4.120 -0.000 0.000 0.306 223 V C 0.851 177.088 176.094 0.237 0.000 1.077 223 V CA 0.677 63.129 62.300 0.253 0.000 1.124 223 V CB 1.348 33.353 31.823 0.303 0.000 0.987 223 V HN 0.129 nan 8.190 nan 0.000 0.487 224 D N 2.177 122.742 120.400 0.276 0.000 2.417 224 D HA 0.329 4.969 4.640 -0.000 0.000 0.207 224 D C 0.668 177.186 176.300 0.363 0.000 1.075 224 D CA 1.168 55.367 54.000 0.333 0.000 0.851 224 D CB 1.336 42.378 40.800 0.403 0.000 0.976 224 D HN 0.942 nan 8.370 nan 0.000 0.505 225 G N 0.423 109.361 108.800 0.230 0.000 2.646 225 G HA2 0.595 4.555 3.960 -0.000 0.000 0.291 225 G HA3 0.595 4.555 3.960 -0.000 0.000 0.291 225 G C -1.768 173.115 174.900 -0.029 0.000 1.445 225 G CA -0.626 44.517 45.100 0.071 0.000 0.814 225 G HN -0.006 nan 8.290 nan 0.000 0.495 226 I N 0.460 120.916 120.570 -0.189 0.000 2.569 226 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 226 I C -0.457 175.298 176.117 -0.603 0.000 1.088 226 I CA -0.907 60.241 61.300 -0.254 0.000 1.047 226 I CB 2.490 40.393 38.000 -0.161 0.000 1.237 226 I HN 0.270 nan 8.210 nan 0.000 0.421 227 R N 5.824 125.917 120.500 -0.679 0.000 2.288 227 R HA 0.521 4.861 4.340 -0.000 0.000 0.326 227 R C -1.555 174.534 176.300 -0.353 0.000 0.959 227 R CA -0.513 54.941 56.100 -1.077 0.000 0.834 227 R CB 1.604 31.136 30.300 -1.280 0.000 1.157 227 R HN 0.514 nan 8.270 nan 0.000 0.470 228 V N 3.621 123.406 119.914 -0.214 0.000 2.427 228 V HA 0.332 4.452 4.120 -0.000 0.000 0.286 228 V C -0.342 175.800 176.094 0.079 0.000 1.034 228 V CA -0.697 61.634 62.300 0.053 0.000 0.893 228 V CB 1.559 33.495 31.823 0.187 0.000 0.982 228 V HN 0.804 nan 8.190 nan 0.000 0.452 229 D N 5.390 125.866 120.400 0.128 0.000 2.341 229 D HA 0.538 5.178 4.640 -0.000 0.000 0.245 229 D C 0.750 177.119 176.300 0.115 0.000 1.106 229 D CA 0.794 54.879 54.000 0.141 0.000 0.905 229 D CB 1.275 42.168 40.800 0.155 0.000 1.202 229 D HN 1.615 nan 8.370 nan 0.000 0.426 230 A N 2.337 125.227 122.820 0.118 0.000 2.687 230 A HA -0.184 4.136 4.320 -0.000 0.000 0.299 230 A C 1.487 179.080 177.584 0.015 0.000 1.497 230 A CA 0.969 53.080 52.037 0.123 0.000 0.751 230 A CB -2.415 16.710 19.000 0.209 0.000 1.048 230 A HN 1.085 nan 8.150 nan 0.000 0.464 231 V N -1.591 118.286 119.914 -0.061 0.000 2.720 231 V HA -0.201 3.919 4.120 -0.000 0.000 0.256 231 V C 1.936 177.815 176.094 -0.357 0.000 1.082 231 V CA 2.343 64.551 62.300 -0.153 0.000 1.101 231 V CB -0.816 30.851 31.823 -0.261 0.000 0.693 231 V HN 0.982 nan 8.190 nan 0.000 0.479 232 K N -0.996 119.003 120.400 -0.670 0.000 2.444 232 K HA 0.044 4.364 4.320 -0.000 0.000 0.193 232 K C 1.090 177.272 176.600 -0.698 0.000 1.024 232 K CA 0.590 56.305 56.287 -0.953 0.000 1.077 232 K CB -0.244 31.117 32.500 -1.898 0.000 0.833 232 K HN 0.567 nan 8.250 nan 0.000 0.517 233 H N 0.331 119.285 119.070 -0.194 0.000 2.528 233 H HA 0.375 4.931 4.556 -0.000 0.000 0.282 233 H C -0.344 174.906 175.328 -0.130 0.000 1.097 233 H CA -0.087 55.860 56.048 -0.168 0.000 1.121 233 H CB 0.213 29.896 29.762 -0.132 0.000 1.590 233 H HN 0.170 nan 8.280 nan 0.000 0.553 234 M N 0.713 120.302 119.600 -0.018 0.000 2.572 234 M HA 0.358 4.838 4.480 -0.000 0.000 0.299 234 M C -2.645 173.639 176.300 -0.025 0.000 1.205 234 M CA -1.878 53.407 55.300 -0.026 0.000 0.876 234 M CB 3.042 35.657 32.600 0.025 0.000 1.728 234 M HN -0.208 nan 8.290 nan 0.000 0.458 235 P HA 0.016 nan 4.420 nan 0.000 0.264 235 P C -0.094 177.335 177.300 0.215 0.000 1.193 235 P CA 0.033 63.097 63.100 -0.060 0.000 0.763 235 P CB 0.197 31.945 31.700 0.081 0.000 0.810 236 F N 2.188 122.238 119.950 0.167 0.000 2.186 236 F HA -0.040 4.487 4.527 -0.000 0.000 0.299 236 F C 2.470 178.369 175.800 0.165 0.000 1.090 236 F CA 1.514 59.669 58.000 0.259 0.000 1.307 236 F CB -2.109 37.077 39.000 0.309 0.000 1.019 236 F HN 0.366 nan 8.300 nan 0.000 0.489 237 G N -1.370 107.570 108.800 0.233 0.000 2.432 237 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 237 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 237 G C 1.581 176.599 174.900 0.196 0.000 1.135 237 G CA 0.573 45.779 45.100 0.176 0.000 0.767 237 G HN 0.479 nan 8.290 nan 0.000 0.550 238 W N 1.148 122.503 121.300 0.092 0.000 2.409 238 W HA 0.010 4.670 4.660 -0.000 0.000 0.299 238 W C 2.749 179.331 176.519 0.105 0.000 1.203 238 W CA 1.441 58.833 57.345 0.079 0.000 1.298 238 W CB -0.049 29.413 29.460 0.004 0.000 1.127 238 W HN 0.261 nan 8.180 nan 0.000 0.528 239 Q N 0.313 120.204 119.800 0.152 0.000 2.124 239 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 239 Q C 2.177 178.171 176.000 -0.010 0.000 0.977 239 Q CA 1.849 57.681 55.803 0.049 0.000 0.850 239 Q CB -0.433 28.513 28.738 0.347 0.000 0.901 239 Q HN 0.331 nan 8.270 nan 0.000 0.429 240 K N 0.687 121.096 120.400 0.015 0.000 2.097 240 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 240 K C 2.261 178.806 176.600 -0.092 0.000 1.049 240 K CA 1.595 57.858 56.287 -0.040 0.000 0.933 240 K CB -0.031 32.469 32.500 0.001 0.000 0.717 240 K HN 0.202 nan 8.250 nan 0.000 0.442 241 S N -0.176 115.444 115.700 -0.133 0.000 2.406 241 S HA -0.131 4.338 4.470 -0.000 0.000 0.228 241 S C 1.872 176.332 174.600 -0.234 0.000 1.020 241 S CA 0.490 58.596 58.200 -0.156 0.000 0.965 241 S CB -0.546 62.577 63.200 -0.127 0.000 0.798 241 S HN 0.411 nan 8.310 nan 0.000 0.488 242 F N 2.430 122.013 119.950 -0.612 0.000 2.102 242 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 242 F C 2.270 177.880 175.800 -0.317 0.000 1.105 242 F CA 1.411 59.046 58.000 -0.609 0.000 1.239 242 F CB -0.372 38.027 39.000 -1.002 0.000 0.991 242 F HN 0.093 nan 8.300 nan 0.000 0.474 243 M N 0.533 119.995 119.600 -0.231 0.000 2.159 243 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 243 M C 2.511 178.682 176.300 -0.216 0.000 1.063 243 M CA 1.600 56.752 55.300 -0.246 0.000 1.110 243 M CB -2.061 30.457 32.600 -0.138 0.000 1.374 243 M HN 0.320 nan 8.290 nan 0.000 0.411 244 A N -0.622 122.098 122.820 -0.167 0.000 1.972 244 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 244 A C 2.325 179.835 177.584 -0.123 0.000 1.169 244 A CA 2.064 54.029 52.037 -0.120 0.000 0.635 244 A CB -0.985 17.963 19.000 -0.087 0.000 0.810 244 A HN 0.479 nan 8.150 nan 0.000 0.446 245 T N 0.214 114.658 114.554 -0.183 0.000 2.777 245 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 245 T C 1.793 176.399 174.700 -0.157 0.000 1.040 245 T CA 1.469 63.466 62.100 -0.172 0.000 1.141 245 T CB -0.344 68.389 68.868 -0.225 0.000 0.868 245 T HN 0.441 nan 8.240 nan 0.000 0.444 246 I N 1.414 121.825 120.570 -0.265 0.000 2.163 246 I HA -0.167 4.003 4.170 -0.000 0.000 0.240 246 I C 2.250 178.329 176.117 -0.064 0.000 1.081 246 I CA 1.391 62.579 61.300 -0.188 0.000 1.353 246 I CB -0.417 37.383 38.000 -0.333 0.000 1.054 246 I HN 0.306 nan 8.210 nan 0.000 0.407 247 N N 0.691 119.341 118.700 -0.083 0.000 2.270 247 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 247 N C 1.169 176.677 175.510 -0.003 0.000 1.016 247 N CA 0.686 53.715 53.050 -0.035 0.000 0.870 247 N CB -0.029 38.431 38.487 -0.045 0.000 0.979 247 N HN 0.313 nan 8.380 nan 0.000 0.431 248 N N -0.387 118.315 118.700 0.004 0.000 2.398 248 N HA -0.046 4.694 4.740 -0.000 0.000 0.188 248 N C 0.512 176.075 175.510 0.089 0.000 1.122 248 N CA 0.341 53.409 53.050 0.030 0.000 0.866 248 N CB 0.173 38.670 38.487 0.018 0.000 0.970 248 N HN 0.455 nan 8.380 nan 0.000 0.462 249 Y N 0.604 120.868 120.300 -0.061 0.000 2.488 249 Y HA 0.278 4.828 4.550 -0.000 0.000 0.262 249 Y C -0.225 175.652 175.900 -0.039 0.000 1.108 249 Y CA 0.248 58.317 58.100 -0.052 0.000 1.299 249 Y CB 0.721 39.138 38.460 -0.072 0.000 1.231 249 Y HN -0.306 nan 8.280 nan 0.000 0.507 250 K N 2.313 122.607 120.400 -0.176 0.000 2.723 250 K HA 0.290 4.610 4.320 -0.000 0.000 0.229 250 K C -2.931 173.632 176.600 -0.061 0.000 1.022 250 K CA -2.110 54.036 56.287 -0.234 0.000 1.045 250 K CB 1.717 34.009 32.500 -0.348 0.000 1.227 250 K HN 0.082 nan 8.250 nan 0.000 0.516 251 P HA 0.024 nan 4.420 nan 0.000 0.271 251 P C -0.295 177.029 177.300 0.040 0.000 1.226 251 P CA -0.268 62.835 63.100 0.005 0.000 0.765 251 P CB 1.014 32.727 31.700 0.022 0.000 0.835 252 V N 1.237 121.182 119.914 0.052 0.000 3.040 252 V HA 0.516 4.636 4.120 -0.000 0.000 0.312 252 V C -0.359 175.821 176.094 0.143 0.000 1.115 252 V CA -1.561 60.813 62.300 0.124 0.000 0.998 252 V CB 1.796 33.686 31.823 0.112 0.000 1.042 252 V HN 0.381 nan 8.190 nan 0.000 0.433 253 F N 2.133 122.100 119.950 0.028 0.000 2.571 253 F HA 0.498 5.025 4.527 -0.000 0.000 0.384 253 F C 0.347 176.095 175.800 -0.086 0.000 1.058 253 F CA 0.920 58.883 58.000 -0.063 0.000 1.200 253 F CB 0.336 39.182 39.000 -0.256 0.000 1.077 253 F HN 0.767 nan 8.300 nan 0.000 0.558 254 T N 7.854 122.128 114.554 -0.466 0.000 2.861 254 T HA 0.573 4.922 4.350 -0.000 0.000 0.287 254 T C -1.080 173.343 174.700 -0.463 0.000 1.003 254 T CA -0.380 61.459 62.100 -0.435 0.000 0.977 254 T CB 1.170 69.903 68.868 -0.225 0.000 0.996 254 T HN 0.481 nan 8.240 nan 0.000 0.448 255 F N -0.557 119.041 119.950 -0.587 0.000 2.613 255 F HA 0.918 5.445 4.527 -0.000 0.000 0.310 255 F C 0.029 175.736 175.800 -0.157 0.000 1.085 255 F CA -1.253 56.499 58.000 -0.413 0.000 0.945 255 F CB 1.190 39.856 39.000 -0.556 0.000 1.298 255 F HN 0.753 nan 8.300 nan 0.000 0.455 256 G N -0.030 108.853 108.800 0.139 0.000 2.644 256 G HA2 0.539 4.499 3.960 -0.000 0.000 0.307 256 G HA3 0.539 4.499 3.960 -0.000 0.000 0.307 256 G C -2.086 172.971 174.900 0.261 0.000 1.250 256 G CA -0.888 44.298 45.100 0.143 0.000 0.996 256 G HN 0.906 nan 8.290 nan 0.000 0.489 257 E N -0.083 120.267 120.200 0.250 0.000 2.129 257 E HA 0.312 4.662 4.350 -0.000 0.000 0.268 257 E C -1.573 175.193 176.600 0.277 0.000 0.900 257 E CA -0.905 55.715 56.400 0.367 0.000 0.755 257 E CB 1.422 31.354 29.700 0.386 0.000 1.117 257 E HN 0.436 nan 8.360 nan 0.000 0.410 258 W N 7.832 129.184 121.300 0.086 0.000 2.587 258 W HA 0.335 4.995 4.660 0.000 0.000 0.324 258 W C -1.918 174.517 176.519 -0.140 0.000 1.008 258 W CA -1.115 56.204 57.345 -0.043 0.000 1.265 258 W CB 0.723 30.160 29.460 -0.037 0.000 1.328 258 W HN 0.510 nan 8.180 nan 0.000 0.432 259 L N 6.515 127.668 121.223 -0.116 0.000 2.397 259 L HA 0.405 4.745 4.340 -0.000 0.000 0.271 259 L C -0.561 176.138 176.870 -0.286 0.000 1.148 259 L CA 0.197 54.639 54.840 -0.664 0.000 0.825 259 L CB 0.613 42.402 42.059 -0.451 0.000 1.117 259 L HN 0.375 nan 8.230 nan 0.000 0.456 260 L N 4.156 125.141 121.223 -0.396 0.000 2.370 260 L HA 0.636 4.976 4.340 -0.000 0.000 0.266 260 L C 0.437 177.296 176.870 -0.018 0.000 1.002 260 L CA -0.772 53.995 54.840 -0.120 0.000 0.818 260 L CB 1.825 43.779 42.059 -0.176 0.000 1.325 260 L HN 0.688 nan 8.230 nan 0.000 0.418 261 G N 0.392 109.196 108.800 0.006 0.000 2.557 261 G HA2 0.394 4.354 3.960 -0.000 0.000 0.292 261 G HA3 0.394 4.354 3.960 -0.000 0.000 0.292 261 G C -0.575 174.359 174.900 0.056 0.000 1.237 261 G CA -0.508 44.619 45.100 0.044 0.000 0.978 261 G HN 0.362 nan 8.290 nan 0.000 0.498 262 V N 1.647 121.596 119.914 0.059 0.000 2.617 262 V HA 0.058 4.177 4.120 -0.000 0.000 0.304 262 V C 1.169 177.277 176.094 0.025 0.000 1.040 262 V CA 0.580 62.908 62.300 0.047 0.000 1.149 262 V CB -0.160 31.686 31.823 0.038 0.000 0.914 262 V HN 1.100 nan 8.190 nan 0.000 0.487 263 N N 3.304 122.016 118.700 0.020 0.000 2.707 263 N HA -0.258 4.482 4.740 -0.000 0.000 0.253 263 N C -0.077 175.434 175.510 0.002 0.000 0.998 263 N CA 1.138 54.193 53.050 0.010 0.000 0.751 263 N CB -0.886 37.604 38.487 0.005 0.000 0.920 263 N HN 0.957 nan 8.380 nan 0.000 0.539 264 E N 0.689 120.885 120.200 -0.007 0.000 2.156 264 E HA 0.541 4.891 4.350 -0.000 0.000 0.279 264 E C -0.671 175.895 176.600 -0.058 0.000 0.965 264 E CA -0.716 55.671 56.400 -0.023 0.000 0.789 264 E CB 0.969 30.653 29.700 -0.026 0.000 1.098 264 E HN 0.367 nan 8.360 nan 0.000 0.397 265 I N 3.494 124.043 120.570 -0.036 0.000 2.447 265 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 265 I C -0.506 175.608 176.117 -0.005 0.000 1.023 265 I CA -0.701 60.582 61.300 -0.030 0.000 1.083 265 I CB 2.006 40.017 38.000 0.020 0.000 1.245 265 I HN 0.359 nan 8.210 nan 0.000 0.434 266 S N 7.917 123.591 115.700 -0.042 0.000 2.449 266 S HA 0.499 4.969 4.470 -0.000 0.000 0.310 266 S C -1.685 172.977 174.600 0.104 0.000 1.096 266 S CA -1.676 56.536 58.200 0.020 0.000 1.095 266 S CB 1.525 64.718 63.200 -0.012 0.000 1.007 266 S HN 0.411 nan 8.310 nan 0.000 0.474 267 P HA -0.049 nan 4.420 nan 0.000 0.217 267 P C 0.702 178.053 177.300 0.084 0.000 1.151 267 P CA 1.070 64.245 63.100 0.126 0.000 0.828 267 P CB 0.208 31.967 31.700 0.097 0.000 0.788 268 E N -0.622 119.624 120.200 0.076 0.000 2.077 268 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 268 E C 2.141 178.512 176.600 -0.382 0.000 0.989 268 E CA 1.022 57.448 56.400 0.042 0.000 0.800 268 E CB -1.389 28.507 29.700 0.326 0.000 0.746 268 E HN 0.334 nan 8.360 nan 0.000 0.452 269 Y N 0.964 120.745 120.300 -0.864 0.000 2.097 269 Y HA -0.311 4.238 4.550 -0.000 0.000 0.282 269 Y C 2.284 177.766 175.900 -0.697 0.000 1.152 269 Y CA 2.063 59.331 58.100 -1.387 0.000 1.136 269 Y CB -0.225 37.538 38.460 -1.162 0.000 0.975 269 Y HN 0.176 nan 8.280 nan 0.000 0.498 270 H N -0.042 118.945 119.070 -0.138 0.000 2.387 270 H HA -0.175 4.381 4.556 0.000 0.000 0.299 270 H C 2.246 177.493 175.328 -0.135 0.000 1.090 270 H CA 1.827 57.786 56.048 -0.148 0.000 1.332 270 H CB -0.380 29.321 29.762 -0.101 0.000 1.386 270 H HN 0.560 nan 8.280 nan 0.000 0.516 271 Q N -0.038 119.756 119.800 -0.011 0.000 2.084 271 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 271 Q C 2.193 178.148 176.000 -0.075 0.000 0.978 271 Q CA 1.330 57.123 55.803 -0.016 0.000 0.844 271 Q CB -0.179 28.574 28.738 0.026 0.000 0.898 271 Q HN 0.329 nan 8.270 nan 0.000 0.426 272 F N 0.444 120.212 119.950 -0.304 0.000 2.102 272 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 272 F C 2.092 177.763 175.800 -0.215 0.000 1.105 272 F CA 1.583 59.398 58.000 -0.309 0.000 1.239 272 F CB -0.385 38.351 39.000 -0.439 0.000 0.991 272 F HN 0.168 nan 8.300 nan 0.000 0.474 273 A N 0.078 122.826 122.820 -0.120 0.000 1.972 273 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 273 A C 1.862 179.400 177.584 -0.076 0.000 1.169 273 A CA 1.920 53.908 52.037 -0.081 0.000 0.635 273 A CB -0.741 18.280 19.000 0.034 0.000 0.810 273 A HN 0.507 nan 8.150 nan 0.000 0.446 274 N N -0.554 118.113 118.700 -0.055 0.000 2.376 274 N HA -0.005 4.735 4.740 -0.000 0.000 0.177 274 N C 1.160 176.619 175.510 -0.085 0.000 1.024 274 N CA 1.175 54.207 53.050 -0.029 0.000 0.893 274 N CB 0.001 38.493 38.487 0.008 0.000 0.980 274 N HN 0.690 nan 8.380 nan 0.000 0.439 275 E N -0.906 119.200 120.200 -0.157 0.000 2.572 275 E HA 0.102 4.452 4.350 -0.000 0.000 0.220 275 E C 1.237 177.689 176.600 -0.247 0.000 0.945 275 E CA -0.028 56.277 56.400 -0.158 0.000 1.070 275 E CB 0.448 30.092 29.700 -0.093 0.000 1.090 275 E HN 0.234 nan 8.360 nan 0.000 0.506 276 S N -0.496 114.928 115.700 -0.459 0.000 2.436 276 S HA 0.074 4.544 4.470 -0.000 0.000 0.228 276 S C 1.796 176.209 174.600 -0.311 0.000 1.014 276 S CA 0.732 58.614 58.200 -0.530 0.000 0.950 276 S CB 0.241 62.695 63.200 -1.243 0.000 0.784 276 S HN 0.321 nan 8.310 nan 0.000 0.504 277 G N 1.255 109.900 108.800 -0.258 0.000 2.179 277 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 277 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 277 G C -0.064 174.746 174.900 -0.150 0.000 0.990 277 G CA 0.132 45.128 45.100 -0.174 0.000 0.646 277 G HN 0.893 nan 8.290 nan 0.000 0.517 278 M N 0.167 119.653 119.600 -0.190 0.000 2.716 278 M HA 0.856 5.336 4.480 -0.000 0.000 0.307 278 M C 0.426 176.669 176.300 -0.094 0.000 1.223 278 M CA -0.233 54.994 55.300 -0.121 0.000 0.871 278 M CB 2.040 34.612 32.600 -0.047 0.000 1.739 278 M HN 0.562 nan 8.290 nan 0.000 0.475 279 S N 0.983 116.646 115.700 -0.062 0.000 2.647 279 S HA 0.863 5.333 4.470 -0.000 0.000 0.284 279 S C -0.679 173.960 174.600 0.064 0.000 1.134 279 S CA -0.697 57.492 58.200 -0.020 0.000 1.027 279 S CB 1.143 64.330 63.200 -0.021 0.000 1.180 279 S HN 0.666 nan 8.310 nan 0.000 0.521 280 L N -0.058 121.195 121.223 0.050 0.000 2.350 280 L HA 0.581 4.921 4.340 -0.000 0.000 0.260 280 L C -1.168 175.814 176.870 0.186 0.000 1.015 280 L CA -0.918 54.010 54.840 0.147 0.000 0.821 280 L CB 1.707 43.770 42.059 0.006 0.000 1.370 280 L HN 0.691 nan 8.230 nan 0.000 0.416 281 L N 2.306 123.754 121.223 0.375 0.000 2.418 281 L HA 0.161 4.501 4.340 -0.000 0.000 0.274 281 L C 0.107 177.327 176.870 0.583 0.000 1.135 281 L CA 0.267 55.369 54.840 0.437 0.000 0.870 281 L CB -0.105 42.266 42.059 0.520 0.000 1.154 281 L HN 0.471 nan 8.230 nan 0.000 0.462 282 D N 3.879 124.543 120.400 0.441 0.000 2.551 282 D HA -0.037 4.603 4.640 -0.000 0.000 0.223 282 D C 1.169 177.685 176.300 0.360 0.000 1.144 282 D CA 0.148 54.387 54.000 0.399 0.000 1.025 282 D CB -0.108 40.754 40.800 0.104 0.000 1.085 282 D HN 0.407 nan 8.370 nan 0.000 0.506 283 F N 1.077 121.327 119.950 0.500 0.000 2.269 283 F HA -0.109 4.418 4.527 -0.000 0.000 0.301 283 F C 2.476 178.376 175.800 0.167 0.000 1.082 283 F CA 0.700 58.892 58.000 0.320 0.000 1.360 283 F CB 0.043 39.246 39.000 0.338 0.000 1.041 283 F HN 0.262 nan 8.300 nan 0.000 0.512 284 R N -0.071 120.655 120.500 0.378 0.000 2.081 284 R HA -0.212 4.128 4.340 -0.000 0.000 0.235 284 R C 2.182 178.631 176.300 0.248 0.000 1.131 284 R CA 1.634 57.884 56.100 0.249 0.000 0.960 284 R CB -0.794 29.675 30.300 0.281 0.000 0.856 284 R HN 0.305 nan 8.270 nan 0.000 0.436 285 F N 0.696 120.722 119.950 0.125 0.000 2.084 285 F HA -0.049 4.478 4.527 -0.000 0.000 0.296 285 F C 2.144 177.927 175.800 -0.028 0.000 1.111 285 F CA 1.712 59.752 58.000 0.067 0.000 1.224 285 F CB -0.554 38.461 39.000 0.024 0.000 0.991 285 F HN 0.145 nan 8.300 nan 0.000 0.471 286 A N 0.113 122.950 122.820 0.028 0.000 1.908 286 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 286 A C 2.138 179.686 177.584 -0.061 0.000 1.181 286 A CA 1.761 53.651 52.037 -0.245 0.000 0.627 286 A CB -0.818 17.541 19.000 -1.069 0.000 0.818 286 A HN 0.539 nan 8.150 nan 0.000 0.445 287 Q N -0.575 119.239 119.800 0.023 0.000 2.079 287 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 287 Q C 2.099 178.115 176.000 0.027 0.000 0.974 287 Q CA 1.854 57.702 55.803 0.075 0.000 0.840 287 Q CB -0.372 28.439 28.738 0.123 0.000 0.898 287 Q HN 0.624 nan 8.270 nan 0.000 0.430 288 K N 1.065 121.460 120.400 -0.008 0.000 2.097 288 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 288 K C 1.877 178.418 176.600 -0.099 0.000 1.050 288 K CA 1.265 57.519 56.287 -0.056 0.000 0.938 288 K CB -0.500 31.964 32.500 -0.061 0.000 0.718 288 K HN 0.121 nan 8.250 nan 0.000 0.442 289 A N 0.851 123.606 122.820 -0.108 0.000 1.908 289 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 289 A C 2.142 179.856 177.584 0.217 0.000 1.181 289 A CA 1.794 53.848 52.037 0.029 0.000 0.627 289 A CB -0.477 18.553 19.000 0.050 0.000 0.818 289 A HN 0.361 nan 8.150 nan 0.000 0.445 290 R N -0.786 119.827 120.500 0.190 0.000 2.092 290 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 290 R C 2.478 178.803 176.300 0.041 0.000 1.119 290 R CA 1.515 57.730 56.100 0.193 0.000 0.970 290 R CB -0.293 30.087 30.300 0.134 0.000 0.864 290 R HN 0.689 nan 8.270 nan 0.000 0.440 291 Q N -0.094 119.698 119.800 -0.013 0.000 2.084 291 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 291 Q C 2.140 178.069 176.000 -0.119 0.000 0.978 291 Q CA 1.537 57.305 55.803 -0.060 0.000 0.844 291 Q CB 0.076 28.777 28.738 -0.061 0.000 0.898 291 Q HN 0.183 nan 8.270 nan 0.000 0.426 292 V N -0.462 119.321 119.914 -0.218 0.000 2.302 292 V HA -0.155 3.965 4.120 -0.000 0.000 0.243 292 V C 1.600 177.432 176.094 -0.437 0.000 1.036 292 V CA 1.606 63.654 62.300 -0.420 0.000 1.020 292 V CB -0.366 31.038 31.823 -0.699 0.000 0.657 292 V HN 0.266 nan 8.190 nan 0.000 0.453 293 F N -0.694 119.269 119.950 0.021 0.000 2.698 293 F HA 0.195 4.722 4.527 -0.000 0.000 0.295 293 F C 2.398 178.293 175.800 0.157 0.000 1.124 293 F CA 0.708 58.786 58.000 0.130 0.000 1.426 293 F CB 0.089 39.242 39.000 0.256 0.000 1.120 293 F HN -0.066 nan 8.300 nan 0.000 0.583 294 R N 0.089 120.659 120.500 0.117 0.000 2.125 294 R HA 0.037 4.377 4.340 -0.000 0.000 0.195 294 R C 1.048 177.260 176.300 -0.145 0.000 1.138 294 R CA 0.749 56.718 56.100 -0.219 0.000 1.123 294 R CB 0.069 29.945 30.300 -0.707 0.000 1.049 294 R HN -0.000 nan 8.270 nan 0.000 0.503 295 D N 0.458 120.791 120.400 -0.111 0.000 2.354 295 D HA -0.039 4.601 4.640 -0.000 0.000 0.209 295 D C -0.117 176.147 176.300 -0.060 0.000 1.015 295 D CA 0.309 54.258 54.000 -0.085 0.000 0.867 295 D CB -0.126 40.631 40.800 -0.072 0.000 0.933 295 D HN 0.216 nan 8.370 nan 0.000 0.520 296 N N 0.806 119.469 118.700 -0.062 0.000 2.725 296 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 296 N C 0.226 175.704 175.510 -0.054 0.000 1.031 296 N CA 1.127 54.141 53.050 -0.060 0.000 0.720 296 N CB -1.505 36.959 38.487 -0.039 0.000 0.930 296 N HN 0.229 nan 8.380 nan 0.000 0.543 297 T N -4.273 110.246 114.554 -0.058 0.000 3.054 297 T HA 0.305 4.655 4.350 -0.000 0.000 0.255 297 T C 0.125 174.797 174.700 -0.047 0.000 1.035 297 T CA -0.021 62.052 62.100 -0.044 0.000 0.941 297 T CB 0.671 69.518 68.868 -0.035 0.000 1.026 297 T HN 0.282 nan 8.240 nan 0.000 0.533 298 D N 0.899 121.258 120.400 -0.068 0.000 2.639 298 D HA 0.390 5.030 4.640 -0.000 0.000 0.271 298 D C -1.366 174.875 176.300 -0.100 0.000 1.254 298 D CA -0.504 53.456 54.000 -0.067 0.000 0.810 298 D CB 1.982 42.739 40.800 -0.071 0.000 1.351 298 D HN 0.270 nan 8.370 nan 0.000 0.427 299 N N -0.286 118.368 118.700 -0.077 0.000 3.100 299 N HA 0.268 5.008 4.740 -0.000 0.000 0.344 299 N C 0.830 176.253 175.510 -0.145 0.000 1.413 299 N CA -0.470 52.520 53.050 -0.100 0.000 0.752 299 N CB 0.203 38.680 38.487 -0.017 0.000 1.519 299 N HN 0.187 nan 8.380 nan 0.000 0.620 300 M N -0.861 118.627 119.600 -0.188 0.000 2.374 300 M HA -0.005 4.475 4.480 -0.000 0.000 0.264 300 M C 1.071 177.219 176.300 -0.254 0.000 1.067 300 M CA 1.262 56.407 55.300 -0.260 0.000 1.103 300 M CB -1.281 31.153 32.600 -0.277 0.000 1.402 300 M HN 0.532 nan 8.290 nan 0.000 0.444 301 Y N -0.033 120.227 120.300 -0.066 0.000 2.314 301 Y HA -0.066 4.484 4.550 -0.000 0.000 0.293 301 Y C 2.569 178.440 175.900 -0.048 0.000 1.129 301 Y CA 1.147 59.219 58.100 -0.047 0.000 1.201 301 Y CB -0.749 37.684 38.460 -0.046 0.000 0.999 301 Y HN 0.310 nan 8.280 nan 0.000 0.541 302 G N -0.132 108.708 108.800 0.067 0.000 2.418 302 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 302 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 302 G C 1.578 176.460 174.900 -0.031 0.000 1.158 302 G CA 0.907 46.012 45.100 0.008 0.000 0.771 302 G HN 0.292 nan 8.290 nan 0.000 0.545 303 L N 0.864 122.026 121.223 -0.101 0.000 2.012 303 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 303 L C 2.760 179.614 176.870 -0.027 0.000 1.073 303 L CA 2.521 57.286 54.840 -0.125 0.000 0.748 303 L CB -0.456 41.447 42.059 -0.261 0.000 0.891 303 L HN 0.295 nan 8.230 nan 0.000 0.431 304 K N -0.755 119.637 120.400 -0.014 0.000 2.032 304 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 304 K C 1.944 178.585 176.600 0.068 0.000 1.048 304 K CA 1.600 57.911 56.287 0.040 0.000 0.927 304 K CB -0.297 32.226 32.500 0.038 0.000 0.712 304 K HN 0.400 nan 8.250 nan 0.000 0.441 305 A N 1.540 124.401 122.820 0.068 0.000 1.969 305 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 305 A C 2.129 179.749 177.584 0.061 0.000 1.169 305 A CA 1.468 53.544 52.037 0.065 0.000 0.635 305 A CB -0.524 18.510 19.000 0.057 0.000 0.810 305 A HN 0.507 nan 8.150 nan 0.000 0.445 306 M N -0.216 119.419 119.600 0.059 0.000 2.132 306 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 306 M C 1.868 178.246 176.300 0.130 0.000 1.065 306 M CA 1.640 56.991 55.300 0.085 0.000 1.122 306 M CB -0.834 31.807 32.600 0.068 0.000 1.365 306 M HN 0.402 nan 8.290 nan 0.000 0.411 307 L N 0.048 121.347 121.223 0.128 0.000 2.093 307 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 307 L C 2.291 179.238 176.870 0.129 0.000 1.085 307 L CA 1.303 56.233 54.840 0.151 0.000 0.755 307 L CB -0.564 41.567 42.059 0.120 0.000 0.904 307 L HN 0.338 nan 8.230 nan 0.000 0.435 308 E N -0.190 120.071 120.200 0.102 0.000 2.072 308 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 308 E C 2.244 178.886 176.600 0.069 0.000 0.982 308 E CA 0.938 57.390 56.400 0.087 0.000 0.803 308 E CB -0.262 29.486 29.700 0.080 0.000 0.755 308 E HN 0.521 nan 8.360 nan 0.000 0.453 309 G N 1.174 110.009 108.800 0.059 0.000 2.402 309 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.216 309 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.216 309 G C 1.738 176.648 174.900 0.018 0.000 1.162 309 G CA 1.145 46.258 45.100 0.022 0.000 0.777 309 G HN 0.378 nan 8.290 nan 0.000 0.539 310 S N 0.104 115.862 115.700 0.096 0.000 2.453 310 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 310 S C 1.931 176.671 174.600 0.234 0.000 1.005 310 S CA 1.440 59.739 58.200 0.166 0.000 0.949 310 S CB -0.075 63.353 63.200 0.380 0.000 0.774 310 S HN 0.540 nan 8.310 nan 0.000 0.510 311 E N 0.497 120.797 120.200 0.167 0.000 2.204 311 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 311 E C 1.557 178.216 176.600 0.099 0.000 0.989 311 E CA 0.949 57.437 56.400 0.146 0.000 0.824 311 E CB 0.033 29.799 29.700 0.110 0.000 0.756 311 E HN 0.478 nan 8.360 nan 0.000 0.477 312 V N 0.845 120.789 119.914 0.049 0.000 2.492 312 V HA -0.128 3.992 4.120 -0.000 0.000 0.241 312 V C 1.457 177.525 176.094 -0.043 0.000 1.041 312 V CA 1.501 63.801 62.300 0.001 0.000 1.057 312 V CB -0.129 31.683 31.823 -0.018 0.000 0.711 312 V HN 0.191 nan 8.190 nan 0.000 0.468 313 D N -0.997 119.323 120.400 -0.132 0.000 2.178 313 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 313 D C 0.363 176.534 176.300 -0.216 0.000 0.980 313 D CA 1.031 54.840 54.000 -0.320 0.000 0.842 313 D CB -0.183 40.193 40.800 -0.708 0.000 0.948 313 D HN 0.422 nan 8.370 nan 0.000 0.472 314 Y N -0.063 120.259 120.300 0.037 0.000 2.327 314 Y HA 0.406 4.956 4.550 -0.000 0.000 0.336 314 Y C 1.244 177.159 175.900 0.025 0.000 1.035 314 Y CA -0.762 57.392 58.100 0.090 0.000 1.165 314 Y CB 1.446 39.974 38.460 0.114 0.000 1.181 314 Y HN -0.177 nan 8.280 nan 0.000 0.494 315 A N 2.662 125.583 122.820 0.168 0.000 1.969 315 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 315 A C 0.606 178.213 177.584 0.038 0.000 1.169 315 A CA 1.052 53.126 52.037 0.061 0.000 0.635 315 A CB -0.149 18.870 19.000 0.031 0.000 0.810 315 A HN 0.754 nan 8.150 nan 0.000 0.445 316 Q N -1.133 118.724 119.800 0.095 0.000 2.798 316 Q HA 0.391 4.731 4.340 -0.000 0.000 0.250 316 Q C 0.287 176.334 176.000 0.078 0.000 1.006 316 Q CA -0.131 55.721 55.803 0.083 0.000 0.759 316 Q CB 1.282 30.116 28.738 0.161 0.000 1.201 316 Q HN 0.090 nan 8.270 nan 0.000 0.486 317 V N 1.536 121.497 119.914 0.077 0.000 2.759 317 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 317 V C 0.856 176.924 176.094 -0.043 0.000 1.080 317 V CA 1.581 63.880 62.300 -0.002 0.000 1.101 317 V CB 0.068 31.957 31.823 0.110 0.000 0.698 317 V HN 0.698 nan 8.190 nan 0.000 0.477 318 N N 0.515 119.242 118.700 0.046 0.000 2.571 318 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 318 N C 0.935 176.447 175.510 0.003 0.000 1.154 318 N CA 0.895 53.968 53.050 0.038 0.000 0.907 318 N CB -0.086 38.492 38.487 0.153 0.000 0.977 318 N HN 0.538 nan 8.380 nan 0.000 0.449 319 D N -0.228 120.187 120.400 0.025 0.000 2.398 319 D HA 0.043 4.683 4.640 -0.000 0.000 0.210 319 D C 0.037 176.361 176.300 0.041 0.000 1.094 319 D CA 0.185 54.247 54.000 0.104 0.000 0.839 319 D CB 0.433 41.359 40.800 0.210 0.000 0.963 319 D HN 0.089 nan 8.370 nan 0.000 0.506 320 Q N 0.701 120.409 119.800 -0.153 0.000 2.288 320 Q HA 0.262 4.602 4.340 -0.000 0.000 0.254 320 Q C -0.007 175.868 176.000 -0.208 0.000 0.932 320 Q CA -0.363 55.292 55.803 -0.248 0.000 0.902 320 Q CB 2.064 30.482 28.738 -0.534 0.000 1.203 320 Q HN -0.117 nan 8.270 nan 0.000 0.415 321 V N 3.113 122.913 119.914 -0.190 0.000 2.406 321 V HA 0.288 4.407 4.120 -0.000 0.000 0.272 321 V C 0.580 176.648 176.094 -0.044 0.000 1.043 321 V CA -0.418 61.754 62.300 -0.213 0.000 0.915 321 V CB 0.865 32.365 31.823 -0.539 0.000 0.988 321 V HN 0.905 nan 8.190 nan 0.000 0.466 322 T N 2.631 117.094 114.554 -0.152 0.000 2.936 322 T HA 0.913 5.263 4.350 -0.000 0.000 0.282 322 T C -0.640 174.150 174.700 0.150 0.000 1.003 322 T CA -0.574 61.359 62.100 -0.277 0.000 1.005 322 T CB 1.841 70.043 68.868 -1.109 0.000 1.097 322 T HN 0.720 nan 8.240 nan 0.000 0.532 323 F N -1.619 118.341 119.950 0.016 0.000 2.842 323 F HA 0.491 5.018 4.527 0.000 0.000 0.319 323 F C -0.080 175.847 175.800 0.212 0.000 1.159 323 F CA -1.380 56.681 58.000 0.101 0.000 0.902 323 F CB 0.693 39.735 39.000 0.071 0.000 1.311 323 F HN 0.558 nan 8.300 nan 0.000 0.453 324 I N -1.651 119.077 120.570 0.264 0.000 4.181 324 I HA 0.451 4.621 4.170 -0.000 0.000 0.331 324 I C -0.889 175.450 176.117 0.370 0.000 1.312 324 I CA 0.042 61.472 61.300 0.215 0.000 1.146 324 I CB 0.445 38.469 38.000 0.040 0.000 1.074 324 I HN 0.630 nan 8.210 nan 0.000 0.402 325 D N 0.594 121.269 120.400 0.458 0.000 2.710 325 D HA 0.422 5.061 4.640 -0.000 0.000 0.276 325 D C -1.044 175.327 176.300 0.117 0.000 1.267 325 D CA -0.655 53.552 54.000 0.345 0.000 0.772 325 D CB 0.800 41.775 40.800 0.292 0.000 1.299 325 D HN 0.248 nan 8.370 nan 0.000 0.421 326 N N -2.562 115.975 118.700 -0.272 0.000 3.441 326 N HA 0.116 4.856 4.740 -0.000 0.000 0.313 326 N C 0.748 175.706 175.510 -0.920 0.000 1.526 326 N CA -0.453 52.082 53.050 -0.859 0.000 0.871 326 N CB -0.222 37.941 38.487 -0.539 0.000 1.779 326 N HN 0.565 nan 8.380 nan 0.000 0.529 327 H N -1.763 116.830 119.070 -0.795 0.000 2.541 327 H HA 0.053 4.609 4.556 -0.000 0.000 0.289 327 H C -0.690 174.604 175.328 -0.056 0.000 1.054 327 H CA 1.235 57.106 56.048 -0.294 0.000 1.250 327 H CB -0.266 29.538 29.762 0.069 0.000 1.369 327 H HN 0.509 nan 8.280 nan 0.000 0.578 328 D N 0.236 120.344 120.400 -0.487 0.000 2.462 328 D HA 0.299 4.939 4.640 -0.000 0.000 0.221 328 D C 0.058 176.354 176.300 -0.007 0.000 1.173 328 D CA 0.024 53.907 54.000 -0.195 0.000 0.831 328 D CB 0.452 41.139 40.800 -0.188 0.000 1.001 328 D HN 0.347 nan 8.370 nan 0.000 0.499 329 M N -0.028 119.567 119.600 -0.007 0.000 2.575 329 M HA 0.261 4.740 4.480 -0.000 0.000 0.284 329 M C -0.430 175.907 176.300 0.062 0.000 1.253 329 M CA -0.785 54.560 55.300 0.074 0.000 0.861 329 M CB 2.994 35.680 32.600 0.143 0.000 1.733 329 M HN -0.288 nan 8.290 nan 0.000 0.462 330 E N 1.632 121.876 120.200 0.073 0.000 2.413 330 E HA 0.117 4.467 4.350 -0.000 0.000 0.263 330 E C -0.595 176.068 176.600 0.105 0.000 1.015 330 E CA 0.047 56.487 56.400 0.068 0.000 0.916 330 E CB 0.589 30.314 29.700 0.042 0.000 0.947 330 E HN 0.371 nan 8.360 nan 0.000 0.440 331 R N 1.686 122.260 120.500 0.123 0.000 2.679 331 R HA -0.056 4.284 4.340 -0.000 0.000 0.268 331 R C 0.935 177.358 176.300 0.205 0.000 1.044 331 R CA -0.050 56.164 56.100 0.191 0.000 1.105 331 R CB 0.236 30.639 30.300 0.171 0.000 0.989 331 R HN 0.619 nan 8.270 nan 0.000 0.447 332 F N 2.089 122.125 119.950 0.143 0.000 2.102 332 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 332 F C 1.441 177.333 175.800 0.155 0.000 1.105 332 F CA 1.406 59.492 58.000 0.144 0.000 1.239 332 F CB -0.048 39.047 39.000 0.159 0.000 0.991 332 F HN 0.482 nan 8.300 nan 0.000 0.474 333 H N 1.315 120.590 119.070 0.342 0.000 2.848 333 H HA 0.163 4.719 4.556 -0.000 0.000 0.317 333 H C -0.213 175.181 175.328 0.109 0.000 1.046 333 H CA 0.383 56.580 56.048 0.248 0.000 1.470 333 H CB 0.595 30.525 29.762 0.281 0.000 1.483 333 H HN 0.239 nan 8.280 nan 0.000 0.548 334 T N 0.912 115.176 114.554 -0.484 0.000 2.937 334 T HA 0.151 4.501 4.350 -0.000 0.000 0.283 334 T C 1.502 175.950 174.700 -0.420 0.000 1.012 334 T CA -0.321 61.580 62.100 -0.332 0.000 0.997 334 T CB 1.210 69.956 68.868 -0.203 0.000 1.136 334 T HN 0.576 nan 8.240 nan 0.000 0.551 335 S N 1.027 116.609 115.700 -0.196 0.000 2.402 335 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 335 S C 1.291 175.835 174.600 -0.092 0.000 1.021 335 S CA 0.983 59.114 58.200 -0.116 0.000 0.974 335 S CB -0.784 62.384 63.200 -0.054 0.000 0.800 335 S HN 0.900 nan 8.310 nan 0.000 0.484 336 N N 1.475 120.119 118.700 -0.093 0.000 2.238 336 N HA 0.285 5.024 4.740 -0.000 0.000 0.222 336 N C 0.165 175.649 175.510 -0.044 0.000 1.133 336 N CA -0.012 53.008 53.050 -0.049 0.000 0.854 336 N CB -0.161 38.305 38.487 -0.035 0.000 1.041 336 N HN 0.371 nan 8.380 nan 0.000 0.510 337 G N -0.477 108.268 108.800 -0.092 0.000 2.356 337 G HA2 0.163 4.123 3.960 -0.000 0.000 0.298 337 G HA3 0.163 4.123 3.960 -0.000 0.000 0.298 337 G C -0.722 174.250 174.900 0.121 0.000 1.145 337 G CA -0.460 44.626 45.100 -0.024 0.000 0.850 337 G HN 0.160 nan 8.290 nan 0.000 0.487 338 D N 1.233 121.713 120.400 0.134 0.000 2.450 338 D HA 0.009 4.649 4.640 -0.000 0.000 0.247 338 D C 1.495 177.947 176.300 0.252 0.000 1.162 338 D CA -0.035 54.060 54.000 0.159 0.000 0.879 338 D CB 0.913 41.784 40.800 0.118 0.000 1.163 338 D HN 0.369 nan 8.370 nan 0.000 0.472 339 R N 2.419 123.042 120.500 0.205 0.000 2.193 339 R HA -0.168 4.172 4.340 -0.000 0.000 0.229 339 R C 1.925 178.358 176.300 0.222 0.000 1.110 339 R CA 0.811 57.023 56.100 0.186 0.000 0.988 339 R CB 0.010 30.249 30.300 -0.102 0.000 0.871 339 R HN 0.250 nan 8.270 nan 0.000 0.458 340 R N 1.597 122.193 120.500 0.160 0.000 2.120 340 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 340 R C 1.322 177.724 176.300 0.170 0.000 1.123 340 R CA 1.626 57.809 56.100 0.138 0.000 0.975 340 R CB -0.095 30.268 30.300 0.105 0.000 0.866 340 R HN 0.126 nan 8.270 nan 0.000 0.446 341 K N -0.314 120.235 120.400 0.248 0.000 2.057 341 K HA -0.147 4.172 4.320 -0.000 0.000 0.207 341 K C 1.892 178.704 176.600 0.353 0.000 1.049 341 K CA 1.497 57.991 56.287 0.346 0.000 0.931 341 K CB -0.326 32.427 32.500 0.422 0.000 0.714 341 K HN 0.124 nan 8.250 nan 0.000 0.440 342 L N 1.903 123.340 121.223 0.357 0.000 2.056 342 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 342 L C 1.768 178.580 176.870 -0.097 0.000 1.078 342 L CA 1.778 56.664 54.840 0.077 0.000 0.749 342 L CB -0.258 41.929 42.059 0.215 0.000 0.901 342 L HN 0.102 nan 8.230 nan 0.000 0.433 343 E N -0.782 119.431 120.200 0.022 0.000 2.085 343 E HA -0.271 4.078 4.350 -0.000 0.000 0.194 343 E C 2.160 178.706 176.600 -0.090 0.000 0.994 343 E CA 1.692 58.080 56.400 -0.021 0.000 0.801 343 E CB -0.170 29.562 29.700 0.054 0.000 0.743 343 E HN 0.661 nan 8.360 nan 0.000 0.453 344 Q N 0.082 119.818 119.800 -0.107 0.000 2.079 344 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 344 Q C 2.317 178.058 176.000 -0.432 0.000 0.974 344 Q CA 1.144 56.819 55.803 -0.213 0.000 0.840 344 Q CB -0.147 28.471 28.738 -0.200 0.000 0.898 344 Q HN 0.246 nan 8.270 nan 0.000 0.430 345 A N 1.114 123.601 122.820 -0.554 0.000 1.933 345 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 345 A C 2.092 179.498 177.584 -0.296 0.000 1.175 345 A CA 1.098 52.763 52.037 -0.621 0.000 0.628 345 A CB -0.641 17.879 19.000 -0.801 0.000 0.814 345 A HN 0.265 nan 8.150 nan 0.000 0.444 346 L N -0.973 120.093 121.223 -0.262 0.000 2.056 346 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 346 L C 3.108 179.925 176.870 -0.089 0.000 1.078 346 L CA 1.018 55.771 54.840 -0.145 0.000 0.749 346 L CB -0.535 41.441 42.059 -0.139 0.000 0.901 346 L HN 0.435 nan 8.230 nan 0.000 0.433 347 A N -0.216 122.550 122.820 -0.091 0.000 1.933 347 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 347 A C 2.157 179.757 177.584 0.026 0.000 1.175 347 A CA 1.447 53.454 52.037 -0.050 0.000 0.628 347 A CB -0.782 18.181 19.000 -0.062 0.000 0.814 347 A HN 0.395 nan 8.150 nan 0.000 0.444 348 F N 1.532 121.413 119.950 -0.115 0.000 2.075 348 F HA -0.156 4.371 4.527 -0.000 0.000 0.297 348 F C 2.446 178.317 175.800 0.119 0.000 1.113 348 F CA 2.339 60.347 58.000 0.015 0.000 1.218 348 F CB -0.870 38.023 39.000 -0.178 0.000 0.984 348 F HN 0.206 nan 8.300 nan 0.000 0.472 349 T N 1.186 115.712 114.554 -0.047 0.000 2.746 349 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 349 T C 1.902 176.522 174.700 -0.134 0.000 1.039 349 T CA 1.321 63.387 62.100 -0.056 0.000 1.142 349 T CB -0.456 68.454 68.868 0.071 0.000 0.866 349 T HN 0.079 nan 8.240 nan 0.000 0.444 350 L N 1.732 122.902 121.223 -0.088 0.000 2.201 350 L HA 0.002 4.342 4.340 -0.000 0.000 0.212 350 L C 2.582 179.395 176.870 -0.094 0.000 1.105 350 L CA 1.653 56.438 54.840 -0.091 0.000 0.775 350 L CB -1.256 40.758 42.059 -0.075 0.000 0.913 350 L HN 0.470 nan 8.230 nan 0.000 0.440 351 T N -5.941 108.574 114.554 -0.064 0.000 3.069 351 T HA 0.203 4.553 4.350 -0.000 0.000 0.252 351 T C 0.947 175.652 174.700 0.009 0.000 1.053 351 T CA -0.157 61.941 62.100 -0.003 0.000 0.964 351 T CB 0.090 69.001 68.868 0.071 0.000 1.005 351 T HN 0.033 nan 8.240 nan 0.000 0.532 352 S N 2.378 117.988 115.700 -0.150 0.000 2.693 352 S HA 0.578 5.048 4.470 -0.000 0.000 0.276 352 S C 0.442 174.924 174.600 -0.197 0.000 1.192 352 S CA -1.056 57.010 58.200 -0.223 0.000 0.994 352 S CB 0.842 63.810 63.200 -0.386 0.000 1.012 352 S HN 0.607 nan 8.310 nan 0.000 0.550 353 R N 0.747 121.152 120.500 -0.158 0.000 2.738 353 R HA 0.583 4.923 4.340 -0.000 0.000 0.268 353 R C 0.612 176.776 176.300 -0.228 0.000 1.062 353 R CA 0.473 56.491 56.100 -0.137 0.000 1.158 353 R CB -1.316 28.954 30.300 -0.050 0.000 1.046 353 R HN 0.943 nan 8.270 nan 0.000 0.493 354 G N -0.146 108.537 108.800 -0.195 0.000 2.416 354 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.203 354 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.203 354 G C -1.523 173.240 174.900 -0.229 0.000 1.227 354 G CA -0.331 44.633 45.100 -0.227 0.000 1.041 354 G HN 0.702 nan 8.290 nan 0.000 0.546 355 V N 3.023 122.798 119.914 -0.231 0.000 2.380 355 V HA 0.534 4.654 4.120 -0.000 0.000 0.286 355 V C -1.940 174.055 176.094 -0.166 0.000 1.015 355 V CA -0.836 61.347 62.300 -0.195 0.000 0.834 355 V CB 1.883 33.579 31.823 -0.212 0.000 1.009 355 V HN 0.707 nan 8.190 nan 0.000 0.428 356 P HA 0.357 nan 4.420 nan 0.000 0.276 356 P C -0.708 176.616 177.300 0.040 0.000 1.230 356 P CA 0.031 63.084 63.100 -0.078 0.000 0.776 356 P CB 1.656 33.301 31.700 -0.090 0.000 0.888 357 A N 4.720 127.618 122.820 0.130 0.000 2.343 357 A HA 0.674 4.994 4.320 -0.000 0.000 0.316 357 A C -0.371 177.356 177.584 0.238 0.000 1.104 357 A CA -0.878 51.307 52.037 0.246 0.000 0.768 357 A CB 0.695 19.923 19.000 0.380 0.000 1.213 357 A HN 0.483 nan 8.150 nan 0.000 0.456 358 I N 2.360 123.060 120.570 0.216 0.000 2.378 358 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 358 I C -0.879 175.306 176.117 0.113 0.000 0.992 358 I CA -0.674 60.731 61.300 0.175 0.000 1.154 358 I CB 1.407 39.521 38.000 0.191 0.000 1.315 358 I HN 0.711 nan 8.210 nan 0.000 0.448 359 Y N 8.328 128.597 120.300 -0.051 0.000 2.377 359 Y HA 0.120 4.670 4.550 -0.000 0.000 0.330 359 Y C 0.026 175.766 175.900 -0.267 0.000 1.108 359 Y CA -1.115 56.903 58.100 -0.137 0.000 1.308 359 Y CB 0.194 38.617 38.460 -0.061 0.000 1.216 359 Y HN 0.450 nan 8.280 nan 0.000 0.518 360 Y N 3.784 123.655 120.300 -0.715 0.000 2.904 360 Y HA 0.301 4.851 4.550 -0.000 0.000 0.336 360 Y C 1.106 176.832 175.900 -0.291 0.000 1.263 360 Y CA -0.267 57.439 58.100 -0.657 0.000 1.547 360 Y CB -0.076 38.103 38.460 -0.469 0.000 1.272 360 Y HN 0.912 nan 8.280 nan 0.000 0.596 361 G N 1.646 110.367 108.800 -0.132 0.000 2.225 361 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.254 361 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.254 361 G C 1.181 175.976 174.900 -0.175 0.000 0.988 361 G CA 0.510 45.470 45.100 -0.233 0.000 0.625 361 G HN 0.795 nan 8.290 nan 0.000 0.527 362 S N 1.209 116.826 115.700 -0.137 0.000 2.359 362 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 362 S C 2.087 176.562 174.600 -0.209 0.000 1.035 362 S CA 1.850 59.986 58.200 -0.107 0.000 1.018 362 S CB -0.274 62.904 63.200 -0.037 0.000 0.876 362 S HN 0.884 nan 8.310 nan 0.000 0.448 363 E N 0.908 121.048 120.200 -0.100 0.000 2.472 363 E HA -0.137 4.213 4.350 -0.000 0.000 0.200 363 E C 0.683 177.181 176.600 -0.170 0.000 1.046 363 E CA 0.779 57.097 56.400 -0.137 0.000 0.871 363 E CB -0.191 29.560 29.700 0.085 0.000 0.806 363 E HN 0.429 nan 8.360 nan 0.000 0.533 364 Q N -0.201 119.529 119.800 -0.118 0.000 2.179 364 Q HA 0.086 4.426 4.340 -0.000 0.000 0.213 364 Q C -0.588 175.460 176.000 0.080 0.000 0.833 364 Q CA -0.495 55.314 55.803 0.011 0.000 0.990 364 Q CB -0.193 28.558 28.738 0.021 0.000 1.132 364 Q HN 0.333 nan 8.270 nan 0.000 0.493 365 Y N -0.863 119.408 120.300 -0.048 0.000 3.389 365 Y HA -0.281 4.269 4.550 -0.000 0.000 0.213 365 Y C 0.327 176.236 175.900 0.014 0.000 1.272 365 Y CA 0.165 58.192 58.100 -0.121 0.000 1.444 365 Y CB -2.447 35.836 38.460 -0.296 0.000 1.445 365 Y HN 0.224 nan 8.280 nan 0.000 0.583 366 M N 0.840 120.490 119.600 0.084 0.000 2.239 366 M HA 0.210 4.690 4.480 -0.000 0.000 0.348 366 M C 0.649 177.045 176.300 0.160 0.000 1.239 366 M CA 0.674 56.015 55.300 0.069 0.000 1.114 366 M CB 0.573 33.123 32.600 -0.084 0.000 1.641 366 M HN 0.373 nan 8.290 nan 0.000 0.453 367 S N 1.334 117.125 115.700 0.151 0.000 2.704 367 S HA 1.007 5.477 4.470 -0.000 0.000 0.305 367 S C -0.164 174.470 174.600 0.056 0.000 1.107 367 S CA -0.695 57.576 58.200 0.117 0.000 0.993 367 S CB 2.127 65.372 63.200 0.074 0.000 1.110 367 S HN 1.022 nan 8.310 nan 0.000 0.534 368 G N -0.946 107.880 108.800 0.043 0.000 2.386 368 G HA2 0.503 4.462 3.960 -0.000 0.000 0.302 368 G HA3 0.503 4.462 3.960 -0.000 0.000 0.302 368 G C -0.275 174.646 174.900 0.034 0.000 1.629 368 G CA -0.372 44.746 45.100 0.030 0.000 0.917 368 G HN 0.940 nan 8.290 nan 0.000 0.676 369 G N 0.035 108.850 108.800 0.024 0.000 2.504 369 G HA2 0.458 4.418 3.960 -0.000 0.000 0.257 369 G HA3 0.458 4.418 3.960 -0.000 0.000 0.257 369 G C 0.365 175.286 174.900 0.036 0.000 1.451 369 G CA -0.562 44.554 45.100 0.025 0.000 1.059 369 G HN 0.701 nan 8.290 nan 0.000 0.550 370 N N 0.364 119.085 118.700 0.034 0.000 2.326 370 N HA 0.044 4.784 4.740 -0.000 0.000 0.239 370 N C 0.009 175.542 175.510 0.039 0.000 1.301 370 N CA -0.251 52.822 53.050 0.038 0.000 0.909 370 N CB 0.353 38.861 38.487 0.036 0.000 1.156 370 N HN 0.482 nan 8.380 nan 0.000 0.462 371 D N 0.865 121.292 120.400 0.046 0.000 2.772 371 D HA -0.086 4.554 4.640 -0.000 0.000 0.227 371 D C -1.496 174.837 176.300 0.055 0.000 1.114 371 D CA -0.422 53.615 54.000 0.061 0.000 0.832 371 D CB 0.517 41.358 40.800 0.068 0.000 1.154 371 D HN 0.328 nan 8.370 nan 0.000 0.514 372 P HA 0.128 nan 4.420 nan 0.000 0.268 372 P C 0.014 177.328 177.300 0.023 0.000 1.329 372 P CA -0.132 63.007 63.100 0.065 0.000 0.899 372 P CB 0.562 32.299 31.700 0.061 0.000 1.378 373 D N 1.270 121.683 120.400 0.021 0.000 2.348 373 D HA -0.081 4.559 4.640 -0.000 0.000 0.216 373 D C 1.169 177.480 176.300 0.019 0.000 0.970 373 D CA 0.793 54.800 54.000 0.011 0.000 0.889 373 D CB -0.291 40.516 40.800 0.013 0.000 0.912 373 D HN 0.367 nan 8.370 nan 0.000 0.524 374 N N 0.141 118.865 118.700 0.040 0.000 2.383 374 N HA -0.029 4.711 4.740 -0.000 0.000 0.192 374 N C 0.435 175.986 175.510 0.068 0.000 1.141 374 N CA 0.076 53.173 53.050 0.079 0.000 0.851 374 N CB 0.034 38.593 38.487 0.120 0.000 0.976 374 N HN -0.048 nan 8.380 nan 0.000 0.465 375 R N 0.072 120.577 120.500 0.008 0.000 2.748 375 R HA 0.460 4.800 4.340 -0.000 0.000 0.395 375 R C -0.225 176.098 176.300 0.038 0.000 1.128 375 R CA -0.248 55.848 56.100 -0.006 0.000 1.042 375 R CB 0.714 30.947 30.300 -0.112 0.000 1.392 375 R HN 0.207 nan 8.270 nan 0.000 0.582 376 A N 0.820 123.648 122.820 0.014 0.000 2.346 376 A HA 0.272 4.592 4.320 -0.000 0.000 0.252 376 A C 0.038 177.664 177.584 0.071 0.000 1.089 376 A CA -0.383 51.655 52.037 0.002 0.000 0.797 376 A CB 0.293 19.277 19.000 -0.026 0.000 1.047 376 A HN 0.439 nan 8.150 nan 0.000 0.494 377 R N 0.595 121.116 120.500 0.034 0.000 2.590 377 R HA 0.279 4.619 4.340 -0.000 0.000 0.274 377 R C -0.080 176.239 176.300 0.033 0.000 1.061 377 R CA -0.308 55.830 56.100 0.063 0.000 1.081 377 R CB 0.053 30.355 30.300 0.003 0.000 0.984 377 R HN 0.739 nan 8.270 nan 0.000 0.448 378 L N 6.006 127.269 121.223 0.067 0.000 2.416 378 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 378 L C -1.754 174.962 176.870 -0.258 0.000 1.161 378 L CA -1.124 53.661 54.840 -0.091 0.000 0.845 378 L CB 1.166 43.210 42.059 -0.024 0.000 1.119 378 L HN 0.628 nan 8.230 nan 0.000 0.464 379 P HA 0.028 nan 4.420 nan 0.000 0.231 379 P C 0.057 177.223 177.300 -0.224 0.000 1.168 379 P CA 0.358 63.356 63.100 -0.171 0.000 0.779 379 P CB 0.431 32.076 31.700 -0.092 0.000 0.844 380 S N -1.337 114.146 115.700 -0.362 0.000 2.552 380 S HA 0.496 4.966 4.470 -0.000 0.000 0.272 380 S C -1.537 172.744 174.600 -0.532 0.000 1.150 380 S CA -0.585 57.433 58.200 -0.304 0.000 0.849 380 S CB 0.116 63.250 63.200 -0.110 0.000 1.113 380 S HN -0.184 nan 8.310 nan 0.000 0.458 381 F N 2.249 122.096 119.950 -0.171 0.000 2.908 381 F HA 0.418 4.945 4.527 -0.000 0.000 0.328 381 F C 1.096 176.892 175.800 -0.006 0.000 1.211 381 F CA -0.376 57.433 58.000 -0.318 0.000 1.291 381 F CB 0.829 39.473 39.000 -0.592 0.000 0.962 381 F HN 0.521 nan 8.300 nan 0.000 0.505 382 S N 0.050 115.832 115.700 0.136 0.000 2.537 382 S HA -0.007 4.463 4.470 -0.000 0.000 0.286 382 S C 1.365 175.959 174.600 -0.009 0.000 1.299 382 S CA 0.273 58.516 58.200 0.072 0.000 1.067 382 S CB 0.712 63.938 63.200 0.043 0.000 0.864 382 S HN 0.334 nan 8.310 nan 0.000 0.494 383 T N 3.029 117.462 114.554 -0.202 0.000 3.122 383 T HA 0.122 4.472 4.350 -0.000 0.000 0.250 383 T C 1.247 175.618 174.700 -0.548 0.000 1.067 383 T CA 0.763 62.425 62.100 -0.730 0.000 0.966 383 T CB -0.237 68.393 68.868 -0.397 0.000 1.002 383 T HN 0.841 nan 8.240 nan 0.000 0.542 384 T N -0.679 113.751 114.554 -0.207 0.000 3.145 384 T HA 0.191 4.541 4.350 -0.000 0.000 0.281 384 T C 0.838 175.554 174.700 0.027 0.000 1.003 384 T CA -0.374 61.682 62.100 -0.073 0.000 0.901 384 T CB -0.171 68.673 68.868 -0.040 0.000 1.112 384 T HN 0.352 nan 8.240 nan 0.000 0.535 385 T N -0.330 114.274 114.554 0.083 0.000 2.898 385 T HA 0.220 4.570 4.350 -0.000 0.000 0.301 385 T C 1.437 176.259 174.700 0.203 0.000 1.049 385 T CA -0.074 62.142 62.100 0.193 0.000 1.095 385 T CB 0.996 70.046 68.868 0.303 0.000 0.976 385 T HN 0.057 nan 8.240 nan 0.000 0.539 386 T N 2.066 116.753 114.554 0.222 0.000 2.720 386 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 386 T C 2.405 177.194 174.700 0.149 0.000 1.037 386 T CA 1.516 63.719 62.100 0.172 0.000 1.144 386 T CB -0.841 68.128 68.868 0.168 0.000 0.864 386 T HN 0.836 nan 8.240 nan 0.000 0.444 387 A N 0.318 123.227 122.820 0.148 0.000 1.940 387 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 387 A C 2.080 179.662 177.584 -0.004 0.000 1.176 387 A CA 1.597 53.606 52.037 -0.046 0.000 0.631 387 A CB -1.045 17.705 19.000 -0.417 0.000 0.814 387 A HN 0.640 nan 8.150 nan 0.000 0.446 388 Y N 0.336 120.603 120.300 -0.055 0.000 2.181 388 Y HA -0.241 4.308 4.550 -0.000 0.000 0.288 388 Y C 2.591 178.460 175.900 -0.052 0.000 1.146 388 Y CA 2.256 60.322 58.100 -0.056 0.000 1.164 388 Y CB -0.177 38.266 38.460 -0.029 0.000 0.982 388 Y HN 0.422 nan 8.280 nan 0.000 0.515 389 Q N -0.943 118.985 119.800 0.214 0.000 2.167 389 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 389 Q C 2.291 178.299 176.000 0.014 0.000 0.970 389 Q CA 1.633 57.508 55.803 0.121 0.000 0.855 389 Q CB -0.157 28.646 28.738 0.107 0.000 0.911 389 Q HN 0.380 nan 8.270 nan 0.000 0.438 390 V N 0.981 120.891 119.914 -0.007 0.000 2.343 390 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 390 V C 2.075 178.119 176.094 -0.084 0.000 1.051 390 V CA 1.624 63.898 62.300 -0.044 0.000 1.036 390 V CB -0.374 31.424 31.823 -0.042 0.000 0.654 390 V HN 0.341 nan 8.190 nan 0.000 0.451 391 I N -0.329 120.166 120.570 -0.125 0.000 2.252 391 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 391 I C 2.628 178.636 176.117 -0.183 0.000 1.102 391 I CA 1.664 62.866 61.300 -0.164 0.000 1.385 391 I CB -0.417 37.452 38.000 -0.218 0.000 1.064 391 I HN 0.373 nan 8.210 nan 0.000 0.414 392 Q N 1.278 120.951 119.800 -0.212 0.000 2.135 392 Q HA -0.229 4.110 4.340 -0.000 0.000 0.204 392 Q C 1.990 177.935 176.000 -0.092 0.000 0.981 392 Q CA 1.495 57.201 55.803 -0.162 0.000 0.856 392 Q CB 0.177 28.858 28.738 -0.095 0.000 0.902 392 Q HN 0.327 nan 8.270 nan 0.000 0.425 393 K N 0.029 120.387 120.400 -0.071 0.000 2.167 393 K HA 0.005 4.325 4.320 -0.000 0.000 0.203 393 K C 2.038 178.595 176.600 -0.072 0.000 1.052 393 K CA 0.699 56.952 56.287 -0.058 0.000 0.956 393 K CB 0.059 32.529 32.500 -0.049 0.000 0.735 393 K HN 0.324 nan 8.250 nan 0.000 0.451 394 L N 0.119 121.292 121.223 -0.084 0.000 2.298 394 L HA 0.122 4.462 4.340 -0.000 0.000 0.209 394 L C 2.425 179.240 176.870 -0.092 0.000 1.084 394 L CA 0.457 55.245 54.840 -0.087 0.000 0.816 394 L CB -0.431 41.577 42.059 -0.086 0.000 0.967 394 L HN -0.008 nan 8.230 nan 0.000 0.460 395 A N 1.139 123.898 122.820 -0.101 0.000 1.940 395 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 395 A C -0.177 177.344 177.584 -0.103 0.000 1.176 395 A CA 1.520 53.495 52.037 -0.103 0.000 0.631 395 A CB -1.688 17.244 19.000 -0.112 0.000 0.814 395 A HN 0.257 nan 8.150 nan 0.000 0.446 396 P HA -0.126 nan 4.420 nan 0.000 0.219 396 P C 1.170 178.413 177.300 -0.095 0.000 1.146 396 P CA 0.748 63.793 63.100 -0.090 0.000 0.808 396 P CB -0.157 31.498 31.700 -0.074 0.000 0.779 397 L N -1.248 119.919 121.223 -0.093 0.000 2.362 397 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 397 L C 2.414 179.209 176.870 -0.125 0.000 1.134 397 L CA 1.075 55.859 54.840 -0.094 0.000 0.807 397 L CB -0.607 41.404 42.059 -0.080 0.000 0.927 397 L HN -0.010 nan 8.230 nan 0.000 0.447 398 R N -0.007 120.405 120.500 -0.146 0.000 2.148 398 R HA -0.070 4.270 4.340 -0.000 0.000 0.223 398 R C 2.088 178.254 176.300 -0.222 0.000 1.088 398 R CA 0.648 56.628 56.100 -0.201 0.000 0.985 398 R CB -0.023 30.159 30.300 -0.198 0.000 0.880 398 R HN 0.262 nan 8.270 nan 0.000 0.451 399 K N 0.236 120.533 120.400 -0.172 0.000 2.137 399 K HA 0.008 4.328 4.320 -0.000 0.000 0.202 399 K C 2.091 178.610 176.600 -0.134 0.000 1.052 399 K CA 1.423 57.615 56.287 -0.159 0.000 0.961 399 K CB 0.063 32.485 32.500 -0.130 0.000 0.741 399 K HN 0.157 nan 8.250 nan 0.000 0.452 400 S N 0.280 115.912 115.700 -0.114 0.000 2.486 400 S HA 0.044 4.514 4.470 -0.000 0.000 0.220 400 S C 0.764 175.312 174.600 -0.086 0.000 1.011 400 S CA -0.114 58.032 58.200 -0.089 0.000 0.921 400 S CB -0.038 63.118 63.200 -0.073 0.000 0.785 400 S HN 0.048 nan 8.310 nan 0.000 0.517 401 N N 2.468 121.107 118.700 -0.102 0.000 2.564 401 N HA 0.369 5.109 4.740 -0.000 0.000 0.248 401 N C -2.229 173.210 175.510 -0.119 0.000 0.986 401 N CA -2.301 50.700 53.050 -0.080 0.000 0.921 401 N CB 1.917 40.368 38.487 -0.059 0.000 1.136 401 N HN -0.011 nan 8.380 nan 0.000 0.509 402 P HA -0.117 nan 4.420 nan 0.000 0.221 402 P C 0.887 178.097 177.300 -0.150 0.000 1.145 402 P CA 0.741 63.746 63.100 -0.158 0.000 0.795 402 P CB 0.362 32.085 31.700 0.038 0.000 0.775 403 A N 0.090 122.935 122.820 0.042 0.000 1.930 403 A HA -0.124 4.195 4.320 -0.000 0.000 0.217 403 A C 2.335 179.919 177.584 0.000 0.000 1.175 403 A CA 1.161 53.268 52.037 0.115 0.000 0.627 403 A CB -1.336 17.750 19.000 0.144 0.000 0.815 403 A HN 0.138 nan 8.150 nan 0.000 0.443 404 I N -0.626 119.899 120.570 -0.076 0.000 2.286 404 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 404 I C 2.930 178.904 176.117 -0.238 0.000 1.104 404 I CA 0.960 62.194 61.300 -0.111 0.000 1.397 404 I CB -0.332 37.604 38.000 -0.107 0.000 1.072 404 I HN 0.347 nan 8.210 nan 0.000 0.417 405 A N 0.054 122.613 122.820 -0.435 0.000 1.930 405 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 405 A C 1.744 178.873 177.584 -0.759 0.000 1.175 405 A CA 1.565 53.166 52.037 -0.726 0.000 0.627 405 A CB -0.526 17.769 19.000 -1.176 0.000 0.815 405 A HN 0.551 nan 8.150 nan 0.000 0.443 406 Y N -1.427 118.672 120.300 -0.336 0.000 2.448 406 Y HA 0.337 4.887 4.550 -0.000 0.000 0.257 406 Y C 1.616 177.460 175.900 -0.094 0.000 1.089 406 Y CA -0.551 57.346 58.100 -0.339 0.000 1.245 406 Y CB 0.028 37.992 38.460 -0.826 0.000 1.282 406 Y HN 0.289 nan 8.280 nan 0.000 0.529 407 G N 1.111 109.982 108.800 0.119 0.000 2.606 407 G HA2 0.319 4.279 3.960 -0.000 0.000 0.252 407 G HA3 0.319 4.279 3.960 -0.000 0.000 0.252 407 G C 0.199 175.224 174.900 0.208 0.000 1.206 407 G CA -0.191 45.076 45.100 0.278 0.000 0.861 407 G HN 0.215 nan 8.290 nan 0.000 0.561 408 S N -0.788 115.045 115.700 0.221 0.000 2.596 408 S HA 0.495 4.965 4.470 -0.000 0.000 0.260 408 S C 0.056 174.761 174.600 0.176 0.000 1.336 408 S CA -0.287 58.014 58.200 0.169 0.000 0.993 408 S CB 1.193 64.478 63.200 0.143 0.000 0.923 408 S HN 0.582 nan 8.310 nan 0.000 0.567 409 T N 1.194 115.848 114.554 0.167 0.000 2.812 409 T HA 0.417 4.767 4.350 -0.000 0.000 0.282 409 T C -0.902 173.952 174.700 0.256 0.000 0.990 409 T CA -0.410 61.809 62.100 0.198 0.000 0.960 409 T CB 0.638 69.571 68.868 0.108 0.000 0.948 409 T HN 0.815 nan 8.240 nan 0.000 0.438 410 H N 2.167 121.349 119.070 0.187 0.000 2.823 410 H HA 0.283 4.839 4.556 -0.001 0.000 0.332 410 H C -0.694 174.761 175.328 0.212 0.000 0.980 410 H CA -0.623 55.525 56.048 0.168 0.000 1.286 410 H CB 1.125 30.975 29.762 0.147 0.000 1.541 410 H HN 0.507 nan 8.280 nan 0.000 0.521 411 E N 4.839 125.202 120.200 0.272 0.000 2.257 411 E HA 0.025 4.375 4.350 -0.000 0.000 0.278 411 E C 0.065 176.661 176.600 -0.006 0.000 1.049 411 E CA -0.267 56.235 56.400 0.170 0.000 0.876 411 E CB 0.633 30.429 29.700 0.160 0.000 1.035 411 E HN 0.715 nan 8.360 nan 0.000 0.419 412 R N 3.350 123.847 120.500 -0.006 0.000 2.225 412 R HA 0.118 4.458 4.340 -0.000 0.000 0.194 412 R C -0.066 176.330 176.300 0.161 0.000 0.957 412 R CA 0.317 56.398 56.100 -0.031 0.000 1.042 412 R CB 0.254 30.541 30.300 -0.022 0.000 1.004 412 R HN 0.559 nan 8.270 nan 0.000 0.509 413 W N -0.236 121.068 121.300 0.006 0.000 3.296 413 W HA 0.611 5.271 4.660 0.000 0.000 0.314 413 W C -1.536 174.977 176.519 -0.010 0.000 1.238 413 W CA -0.613 56.733 57.345 0.002 0.000 1.193 413 W CB 1.352 30.814 29.460 0.003 0.000 1.383 413 W HN -0.175 nan 8.180 nan 0.000 0.545 414 I N 5.094 125.496 120.570 -0.280 0.000 2.882 414 I HA 0.430 4.600 4.170 -0.000 0.000 0.298 414 I C -1.549 174.264 176.117 -0.508 0.000 1.462 414 I CA -0.548 60.611 61.300 -0.234 0.000 1.000 414 I CB 1.703 39.510 38.000 -0.321 0.000 1.340 414 I HN 0.672 nan 8.210 nan 0.000 0.462 415 N N 2.792 121.321 118.700 -0.285 0.000 3.364 415 N HA 0.323 5.062 4.740 -0.000 0.000 0.294 415 N C -0.483 174.930 175.510 -0.162 0.000 1.562 415 N CA -0.668 52.267 53.050 -0.192 0.000 0.862 415 N CB 0.004 38.465 38.487 -0.042 0.000 1.691 415 N HN 0.420 nan 8.380 nan 0.000 0.572 416 N N -0.428 118.268 118.700 -0.006 0.000 2.192 416 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 416 N C -0.316 175.169 175.510 -0.042 0.000 1.013 416 N CA 1.496 54.546 53.050 0.001 0.000 0.863 416 N CB -0.208 38.312 38.487 0.054 0.000 0.990 416 N HN 0.529 nan 8.380 nan 0.000 0.430 417 D N -1.012 119.386 120.400 -0.004 0.000 2.469 417 D HA 0.173 4.813 4.640 -0.000 0.000 0.213 417 D C -0.371 175.953 176.300 0.039 0.000 1.135 417 D CA 0.121 54.123 54.000 0.004 0.000 0.834 417 D CB 1.361 42.182 40.800 0.034 0.000 1.009 417 D HN -0.107 nan 8.370 nan 0.000 0.507 418 V N 1.710 121.672 119.914 0.080 0.000 2.656 418 V HA 0.494 4.614 4.120 -0.000 0.000 0.307 418 V C -0.494 175.695 176.094 0.159 0.000 1.051 418 V CA -0.870 61.524 62.300 0.157 0.000 0.893 418 V CB 3.080 35.063 31.823 0.266 0.000 0.999 418 V HN -0.064 nan 8.190 nan 0.000 0.426 419 I N 4.777 125.457 120.570 0.183 0.000 2.686 419 I HA 0.610 4.780 4.170 -0.000 0.000 0.295 419 I C -1.471 174.809 176.117 0.272 0.000 1.114 419 I CA -0.702 60.730 61.300 0.219 0.000 1.038 419 I CB 1.982 40.095 38.000 0.189 0.000 1.238 419 I HN 0.552 nan 8.210 nan 0.000 0.420 420 I N 7.990 128.736 120.570 0.293 0.000 2.439 420 I HA 0.339 4.509 4.170 -0.000 0.000 0.285 420 I C -1.253 175.003 176.117 0.231 0.000 1.021 420 I CA -0.653 60.772 61.300 0.209 0.000 1.091 420 I CB 1.441 39.590 38.000 0.248 0.000 1.242 420 I HN 0.475 nan 8.210 nan 0.000 0.439 421 Y N 3.145 123.551 120.300 0.177 0.000 2.598 421 Y HA 0.770 5.320 4.550 -0.000 0.000 0.340 421 Y C -0.657 175.326 175.900 0.137 0.000 1.038 421 Y CA -1.258 56.931 58.100 0.149 0.000 1.100 421 Y CB 1.135 39.706 38.460 0.185 0.000 1.281 421 Y HN 0.488 nan 8.280 nan 0.000 0.488 422 E N 1.705 122.098 120.200 0.321 0.000 2.238 422 E HA 0.492 4.842 4.350 -0.000 0.000 0.267 422 E C -1.205 175.585 176.600 0.316 0.000 0.887 422 E CA -1.154 55.386 56.400 0.234 0.000 0.769 422 E CB 1.138 30.939 29.700 0.167 0.000 1.187 422 E HN 0.612 nan 8.360 nan 0.000 0.416 423 R N 2.895 123.547 120.500 0.253 0.000 2.514 423 R HA 0.447 4.787 4.340 -0.000 0.000 0.301 423 R C -0.909 175.512 176.300 0.202 0.000 0.962 423 R CA -0.963 55.274 56.100 0.229 0.000 0.882 423 R CB 1.423 31.835 30.300 0.187 0.000 1.143 423 R HN 0.371 nan 8.270 nan 0.000 0.452 424 K N 2.095 122.626 120.400 0.218 0.000 2.535 424 K HA 0.421 4.741 4.320 -0.000 0.000 0.250 424 K C -1.976 174.797 176.600 0.288 0.000 0.948 424 K CA -0.536 55.881 56.287 0.218 0.000 0.796 424 K CB 0.961 33.574 32.500 0.188 0.000 1.216 424 K HN 0.422 nan 8.250 nan 0.000 0.432 425 F N 4.836 124.841 119.950 0.092 0.000 2.828 425 F HA 0.515 5.042 4.527 -0.000 0.000 0.355 425 F C 0.627 176.463 175.800 0.061 0.000 1.200 425 F CA 0.570 58.621 58.000 0.085 0.000 1.062 425 F CB 1.116 40.184 39.000 0.113 0.000 1.351 425 F HN 0.808 nan 8.300 nan 0.000 0.504 426 G N 5.129 113.778 108.800 -0.253 0.000 2.565 426 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.295 426 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.295 426 G C 0.609 175.506 174.900 -0.005 0.000 1.165 426 G CA 0.470 45.461 45.100 -0.182 0.000 0.977 426 G HN 0.589 nan 8.290 nan 0.000 0.546 427 N N 2.391 121.121 118.700 0.051 0.000 2.214 427 N HA 0.100 4.840 4.740 -0.000 0.000 0.214 427 N C -0.036 175.596 175.510 0.203 0.000 1.132 427 N CA -0.050 53.079 53.050 0.131 0.000 0.856 427 N CB 0.094 38.674 38.487 0.156 0.000 1.020 427 N HN 0.476 nan 8.380 nan 0.000 0.509 428 N N 1.134 119.933 118.700 0.166 0.000 2.518 428 N HA 0.218 4.958 4.740 -0.000 0.000 0.283 428 N C -0.613 175.009 175.510 0.186 0.000 1.119 428 N CA -0.005 53.140 53.050 0.159 0.000 0.983 428 N CB 2.781 41.358 38.487 0.150 0.000 1.139 428 N HN -0.133 nan 8.380 nan 0.000 0.465 429 V N -0.106 119.913 119.914 0.176 0.000 3.012 429 V HA 0.838 4.957 4.120 -0.000 0.000 0.307 429 V C -1.590 174.567 176.094 0.105 0.000 1.166 429 V CA -0.579 61.809 62.300 0.147 0.000 0.974 429 V CB 1.863 33.768 31.823 0.136 0.000 1.040 429 V HN 0.772 nan 8.190 nan 0.000 0.428 430 A N 4.701 127.575 122.820 0.091 0.000 2.393 430 A HA 0.909 5.229 4.320 -0.000 0.000 0.306 430 A C -1.417 176.199 177.584 0.054 0.000 1.050 430 A CA -0.556 51.516 52.037 0.057 0.000 0.724 430 A CB 2.095 21.118 19.000 0.038 0.000 1.248 430 A HN 1.376 nan 8.150 nan 0.000 0.424 431 V N 2.105 122.047 119.914 0.046 0.000 2.540 431 V HA 0.625 4.744 4.120 -0.000 0.000 0.302 431 V C -0.587 175.458 176.094 -0.081 0.000 1.035 431 V CA -0.519 61.813 62.300 0.052 0.000 0.873 431 V CB 1.708 33.653 31.823 0.203 0.000 0.992 431 V HN 0.721 nan 8.190 nan 0.000 0.428 432 V N 3.143 122.853 119.914 -0.339 0.000 2.588 432 V HA 0.877 4.996 4.120 -0.000 0.000 0.304 432 V C 0.025 175.902 176.094 -0.361 0.000 1.042 432 V CA -0.573 61.426 62.300 -0.503 0.000 0.877 432 V CB 1.864 33.213 31.823 -0.790 0.000 0.996 432 V HN 1.015 nan 8.190 nan 0.000 0.425 433 A N 5.936 128.615 122.820 -0.235 0.000 2.343 433 A HA 0.948 5.268 4.320 -0.000 0.000 0.316 433 A C -0.943 176.643 177.584 0.003 0.000 1.104 433 A CA -0.482 51.551 52.037 -0.007 0.000 0.768 433 A CB 0.895 20.007 19.000 0.187 0.000 1.213 433 A HN 0.768 nan 8.150 nan 0.000 0.456 434 I N 2.142 122.769 120.570 0.096 0.000 2.499 434 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 434 I C -0.357 175.847 176.117 0.144 0.000 1.048 434 I CA -0.372 61.004 61.300 0.127 0.000 1.062 434 I CB 2.308 40.439 38.000 0.218 0.000 1.238 434 I HN 0.814 nan 8.210 nan 0.000 0.426 435 N N 5.843 124.617 118.700 0.122 0.000 2.511 435 N HA 0.261 5.001 4.740 -0.000 0.000 0.249 435 N C 0.943 176.529 175.510 0.127 0.000 0.971 435 N CA -0.638 52.477 53.050 0.109 0.000 0.938 435 N CB 0.876 39.412 38.487 0.081 0.000 1.131 435 N HN 0.682 nan 8.380 nan 0.000 0.505 436 R N 2.136 122.718 120.500 0.137 0.000 2.307 436 R HA 0.043 4.383 4.340 -0.000 0.000 0.199 436 R C 0.118 176.480 176.300 0.104 0.000 1.000 436 R CA 0.012 56.207 56.100 0.159 0.000 1.023 436 R CB -0.126 30.251 30.300 0.128 0.000 0.908 436 R HN 0.341 nan 8.270 nan 0.000 0.473 437 N N 1.199 119.944 118.700 0.076 0.000 2.458 437 N HA 0.021 4.761 4.740 -0.000 0.000 0.270 437 N C 0.403 175.950 175.510 0.063 0.000 1.102 437 N CA -0.087 52.999 53.050 0.059 0.000 0.967 437 N CB 1.001 39.518 38.487 0.049 0.000 1.078 437 N HN 0.116 nan 8.380 nan 0.000 0.471 438 M N 2.796 122.431 119.600 0.060 0.000 2.556 438 M HA -0.003 4.477 4.480 -0.000 0.000 0.245 438 M C 0.267 176.594 176.300 0.046 0.000 1.128 438 M CA 0.674 56.009 55.300 0.058 0.000 1.069 438 M CB -0.929 31.707 32.600 0.061 0.000 1.469 438 M HN 0.565 nan 8.290 nan 0.000 0.494 439 N N -1.348 117.376 118.700 0.040 0.000 2.145 439 N HA 0.048 4.788 4.740 -0.000 0.000 0.219 439 N C -0.374 175.155 175.510 0.031 0.000 1.266 439 N CA -0.059 53.011 53.050 0.033 0.000 0.902 439 N CB 0.222 38.726 38.487 0.028 0.000 1.078 439 N HN -0.112 nan 8.380 nan 0.000 0.513 440 T N 3.148 117.722 114.554 0.034 0.000 2.772 440 T HA 0.414 4.764 4.350 -0.000 0.000 0.288 440 T C -2.807 171.912 174.700 0.032 0.000 0.994 440 T CA -1.442 60.677 62.100 0.032 0.000 0.951 440 T CB 2.185 71.073 68.868 0.033 0.000 0.933 440 T HN 0.016 nan 8.240 nan 0.000 0.447 441 P HA 0.331 nan 4.420 nan 0.000 0.269 441 P C -1.110 176.193 177.300 0.005 0.000 1.215 441 P CA -0.450 62.661 63.100 0.019 0.000 0.780 441 P CB 0.605 32.316 31.700 0.018 0.000 0.898 442 A N 1.605 124.411 122.820 -0.024 0.000 2.331 442 A HA 0.454 4.774 4.320 -0.000 0.000 0.320 442 A C 0.147 177.629 177.584 -0.171 0.000 1.138 442 A CA -0.605 51.394 52.037 -0.064 0.000 0.790 442 A CB 0.708 19.666 19.000 -0.070 0.000 1.206 442 A HN 0.460 nan 8.150 nan 0.000 0.470 443 S N 3.196 118.808 115.700 -0.147 0.000 2.416 443 S HA 0.451 4.921 4.470 -0.000 0.000 0.287 443 S C -0.134 174.224 174.600 -0.402 0.000 1.139 443 S CA -0.518 57.553 58.200 -0.213 0.000 1.058 443 S CB -0.458 62.693 63.200 -0.081 0.000 0.967 443 S HN 0.446 nan 8.310 nan 0.000 0.495 444 I N 5.996 126.129 120.570 -0.727 0.000 2.304 444 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 444 I C 0.687 176.456 176.117 -0.580 0.000 1.018 444 I CA -0.200 60.448 61.300 -1.087 0.000 1.260 444 I CB 0.460 37.451 38.000 -1.683 0.000 1.390 444 I HN 0.723 nan 8.210 nan 0.000 0.475 445 T N 0.561 114.975 114.554 -0.232 0.000 2.893 445 T HA 0.672 5.022 4.350 -0.000 0.000 0.293 445 T C 0.560 175.335 174.700 0.125 0.000 1.027 445 T CA -0.213 61.866 62.100 -0.035 0.000 0.988 445 T CB 2.036 70.927 68.868 0.038 0.000 1.043 445 T HN 1.024 nan 8.240 nan 0.000 0.461 446 G N 0.836 109.689 108.800 0.088 0.000 2.136 446 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.242 446 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.242 446 G C -0.174 174.832 174.900 0.176 0.000 0.989 446 G CA -0.036 45.148 45.100 0.141 0.000 0.682 446 G HN 1.120 nan 8.290 nan 0.000 0.522 447 L N 1.231 122.525 121.223 0.119 0.000 2.410 447 L HA 0.644 4.984 4.340 -0.000 0.000 0.273 447 L C 0.250 177.172 176.870 0.088 0.000 1.144 447 L CA -0.350 54.570 54.840 0.133 0.000 0.863 447 L CB 1.369 43.467 42.059 0.066 0.000 1.140 447 L HN 0.099 nan 8.230 nan 0.000 0.463 448 V N 4.630 124.594 119.914 0.085 0.000 2.555 448 V HA 0.751 4.871 4.120 -0.000 0.000 0.302 448 V C 0.214 176.328 176.094 0.032 0.000 1.038 448 V CA -0.080 62.251 62.300 0.050 0.000 0.887 448 V CB 1.882 33.740 31.823 0.058 0.000 0.991 448 V HN 0.980 nan 8.190 nan 0.000 0.434 449 T N 0.182 114.744 114.554 0.013 0.000 2.831 449 T HA 0.391 4.740 4.350 -0.000 0.000 0.287 449 T C 0.349 175.056 174.700 0.012 0.000 1.070 449 T CA -0.483 61.620 62.100 0.005 0.000 1.010 449 T CB 1.895 70.740 68.868 -0.037 0.000 1.264 449 T HN 0.313 nan 8.240 nan 0.000 0.532 450 S N 0.077 115.791 115.700 0.023 0.000 2.597 450 S HA 0.310 4.780 4.470 -0.000 0.000 0.224 450 S C 0.512 175.092 174.600 -0.033 0.000 0.955 450 S CA -0.486 57.729 58.200 0.024 0.000 0.933 450 S CB -0.695 62.549 63.200 0.073 0.000 0.788 450 S HN 0.456 nan 8.310 nan 0.000 0.488 451 L N 3.788 124.954 121.223 -0.096 0.000 2.416 451 L HA 0.250 4.589 4.340 -0.000 0.000 0.272 451 L C -1.865 174.917 176.870 -0.147 0.000 1.161 451 L CA -1.858 52.862 54.840 -0.200 0.000 0.845 451 L CB 0.217 42.046 42.059 -0.383 0.000 1.119 451 L HN 0.022 nan 8.230 nan 0.000 0.464 452 P HA 0.019 nan 4.420 nan 0.000 0.271 452 P C -0.895 176.404 177.300 -0.002 0.000 1.233 452 P CA -0.542 62.459 63.100 -0.165 0.000 0.789 452 P CB 0.385 31.868 31.700 -0.362 0.000 0.951 453 R N 0.147 120.634 120.500 -0.022 0.000 2.590 453 R HA 0.539 4.879 4.340 -0.000 0.000 0.274 453 R C 0.151 176.420 176.300 -0.052 0.000 1.061 453 R CA 0.114 56.212 56.100 -0.004 0.000 1.081 453 R CB -0.272 30.009 30.300 -0.031 0.000 0.984 453 R HN 0.736 nan 8.270 nan 0.000 0.448 454 G N 0.387 109.123 108.800 -0.107 0.000 2.320 454 G HA2 0.179 4.139 3.960 -0.000 0.000 0.297 454 G HA3 0.179 4.139 3.960 -0.000 0.000 0.297 454 G C -1.591 173.079 174.900 -0.383 0.000 1.344 454 G CA -0.883 44.012 45.100 -0.342 0.000 0.851 454 G HN 0.458 nan 8.290 nan 0.000 0.567 455 S N 0.478 115.928 115.700 -0.416 0.000 2.505 455 S HA 0.479 4.949 4.470 -0.000 0.000 0.280 455 S C -0.883 173.540 174.600 -0.296 0.000 1.197 455 S CA -0.296 57.744 58.200 -0.267 0.000 1.138 455 S CB -0.022 63.081 63.200 -0.162 0.000 1.010 455 S HN 0.382 nan 8.310 nan 0.000 0.480 456 Y N 2.507 122.743 120.300 -0.108 0.000 2.402 456 Y HA 0.183 4.733 4.550 -0.000 0.000 0.333 456 Y C 0.902 176.863 175.900 0.102 0.000 1.076 456 Y CA -0.418 57.679 58.100 -0.005 0.000 1.299 456 Y CB 0.273 38.715 38.460 -0.030 0.000 1.197 456 Y HN 0.490 nan 8.280 nan 0.000 0.517 457 N N 1.947 120.808 118.700 0.268 0.000 2.499 457 N HA 0.070 4.810 4.740 -0.000 0.000 0.281 457 N C -1.075 174.621 175.510 0.309 0.000 1.098 457 N CA -0.754 52.437 53.050 0.235 0.000 0.979 457 N CB 0.504 39.058 38.487 0.112 0.000 1.121 457 N HN 0.527 nan 8.380 nan 0.000 0.466 458 D N 1.610 122.144 120.400 0.224 0.000 2.451 458 D HA -0.052 4.588 4.640 -0.000 0.000 0.254 458 D C 0.898 177.166 176.300 -0.053 0.000 1.204 458 D CA 0.025 53.990 54.000 -0.058 0.000 0.896 458 D CB 0.688 41.439 40.800 -0.082 0.000 1.136 458 D HN 0.224 nan 8.370 nan 0.000 0.499 459 V N 4.616 124.471 119.914 -0.097 0.000 2.568 459 V HA -0.226 3.894 4.120 -0.000 0.000 0.253 459 V C 2.219 178.268 176.094 -0.075 0.000 1.072 459 V CA 1.272 63.535 62.300 -0.062 0.000 1.084 459 V CB -0.499 31.279 31.823 -0.075 0.000 0.676 459 V HN 0.639 nan 8.190 nan 0.000 0.469 460 L N 0.585 121.740 121.223 -0.112 0.000 2.610 460 L HA 0.194 4.534 4.340 -0.000 0.000 0.232 460 L C 1.780 178.621 176.870 -0.048 0.000 1.149 460 L CA 0.757 55.547 54.840 -0.083 0.000 0.872 460 L CB -0.847 41.148 42.059 -0.106 0.000 0.992 460 L HN 0.536 nan 8.230 nan 0.000 0.447 461 G N 0.192 108.971 108.800 -0.035 0.000 2.258 461 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.274 461 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.274 461 G C 1.019 175.916 174.900 -0.005 0.000 1.021 461 G CA 0.415 45.509 45.100 -0.010 0.000 0.798 461 G HN 0.688 nan 8.290 nan 0.000 0.507 462 G N -0.806 107.985 108.800 -0.015 0.000 2.168 462 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 462 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 462 G C 1.294 176.193 174.900 -0.002 0.000 0.977 462 G CA 1.166 46.264 45.100 -0.004 0.000 0.659 462 G HN 1.995 nan 8.290 nan 0.000 0.533 463 I N -2.911 117.655 120.570 -0.007 0.000 2.830 463 I HA 0.281 4.451 4.170 -0.000 0.000 0.263 463 I C 1.383 177.504 176.117 0.007 0.000 1.230 463 I CA 0.841 62.145 61.300 0.005 0.000 1.480 463 I CB -0.100 37.907 38.000 0.011 0.000 1.095 463 I HN 0.074 nan 8.210 nan 0.000 0.455 464 L N 1.966 123.184 121.223 -0.008 0.000 3.094 464 L HA 0.323 4.663 4.340 -0.000 0.000 0.254 464 L C -0.015 176.855 176.870 0.000 0.000 1.298 464 L CA -0.258 54.581 54.840 -0.002 0.000 1.050 464 L CB -1.423 40.624 42.059 -0.019 0.000 1.420 464 L HN 0.321 nan 8.230 nan 0.000 0.548 465 N N -1.192 117.513 118.700 0.008 0.000 2.735 465 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 465 N C 0.830 176.354 175.510 0.024 0.000 1.083 465 N CA 0.706 53.769 53.050 0.021 0.000 0.703 465 N CB -0.935 37.571 38.487 0.033 0.000 1.005 465 N HN 0.563 nan 8.380 nan 0.000 0.550 466 G N 0.019 108.816 108.800 -0.005 0.000 2.563 466 G HA2 0.523 4.483 3.960 -0.000 0.000 0.283 466 G HA3 0.523 4.483 3.960 -0.000 0.000 0.283 466 G C 0.059 174.988 174.900 0.048 0.000 1.309 466 G CA -0.133 44.959 45.100 -0.014 0.000 1.022 466 G HN 0.420 nan 8.290 nan 0.000 0.501 467 N N -2.019 116.754 118.700 0.121 0.000 2.853 467 N HA 0.266 5.005 4.740 -0.000 0.000 0.258 467 N C -1.099 174.552 175.510 0.235 0.000 1.444 467 N CA -0.611 52.516 53.050 0.127 0.000 0.837 467 N CB 1.148 39.685 38.487 0.083 0.000 1.489 467 N HN 0.333 nan 8.380 nan 0.000 0.529 468 T N 0.936 115.552 114.554 0.104 0.000 2.907 468 T HA 0.270 4.620 4.350 -0.000 0.000 0.298 468 T C -0.050 174.511 174.700 -0.232 0.000 1.017 468 T CA -0.226 61.910 62.100 0.061 0.000 1.118 468 T CB 0.358 69.225 68.868 -0.001 0.000 0.948 468 T HN 0.358 nan 8.240 nan 0.000 0.531 469 L N 3.412 124.317 121.223 -0.529 0.000 2.287 469 L HA 0.428 4.768 4.340 -0.000 0.000 0.287 469 L C -0.046 176.588 176.870 -0.393 0.000 1.022 469 L CA -0.020 54.299 54.840 -0.869 0.000 0.814 469 L CB 1.300 42.304 42.059 -1.759 0.000 1.217 469 L HN 0.598 nan 8.230 nan 0.000 0.420 470 T N 4.673 119.057 114.554 -0.283 0.000 2.744 470 T HA 0.536 4.886 4.350 -0.000 0.000 0.291 470 T C -0.429 174.206 174.700 -0.109 0.000 0.957 470 T CA -0.323 61.690 62.100 -0.146 0.000 1.002 470 T CB 0.986 69.791 68.868 -0.105 0.000 0.919 470 T HN 0.323 nan 8.240 nan 0.000 0.468 471 V N 3.284 123.174 119.914 -0.040 0.000 2.459 471 V HA 0.744 4.864 4.120 -0.000 0.000 0.295 471 V C 0.809 176.896 176.094 -0.011 0.000 1.029 471 V CA -0.518 61.775 62.300 -0.013 0.000 0.874 471 V CB 1.709 33.569 31.823 0.062 0.000 0.985 471 V HN 1.005 nan 8.190 nan 0.000 0.438 472 G N 2.516 111.306 108.800 -0.017 0.000 2.890 472 G HA2 0.704 4.664 3.960 -0.000 0.000 0.189 472 G HA3 0.704 4.664 3.960 -0.000 0.000 0.189 472 G C -0.063 174.830 174.900 -0.012 0.000 1.342 472 G CA -0.179 44.912 45.100 -0.016 0.000 1.026 472 G HN 1.015 nan 8.290 nan 0.000 0.579 473 A N -1.724 121.090 122.820 -0.010 0.000 2.425 473 A HA 0.528 4.847 4.320 -0.000 0.000 0.249 473 A C 1.415 178.997 177.584 -0.003 0.000 1.084 473 A CA 1.035 53.067 52.037 -0.008 0.000 0.781 473 A CB -0.280 18.717 19.000 -0.006 0.000 1.019 473 A HN 2.497 nan 8.150 nan 0.000 0.490 474 G N 0.429 109.227 108.800 -0.003 0.000 2.153 474 G HA2 0.149 4.109 3.960 -0.000 0.000 0.252 474 G HA3 0.149 4.109 3.960 -0.000 0.000 0.252 474 G C 1.604 176.507 174.900 0.004 0.000 0.994 474 G CA 1.026 46.128 45.100 0.004 0.000 0.698 474 G HN 2.795 nan 8.290 nan 0.000 0.521 475 G N -1.536 107.260 108.800 -0.007 0.000 2.155 475 G HA2 0.144 4.104 3.960 -0.000 0.000 0.257 475 G HA3 0.144 4.104 3.960 -0.000 0.000 0.257 475 G C 0.766 175.661 174.900 -0.009 0.000 0.983 475 G CA 1.250 46.342 45.100 -0.013 0.000 0.676 475 G HN 2.348 nan 8.290 nan 0.000 0.528 476 A N -0.052 122.767 122.820 -0.001 0.000 2.409 476 A HA 0.818 5.137 4.320 -0.000 0.000 0.267 476 A C 0.799 178.378 177.584 -0.008 0.000 1.127 476 A CA 0.895 52.935 52.037 0.006 0.000 0.795 476 A CB 0.597 19.604 19.000 0.012 0.000 1.061 476 A HN 2.025 nan 8.150 nan 0.000 0.502 477 A N 2.831 125.646 122.820 -0.007 0.000 2.327 477 A HA 0.607 4.927 4.320 -0.000 0.000 0.283 477 A C 0.821 178.411 177.584 0.010 0.000 1.127 477 A CA 0.127 52.148 52.037 -0.026 0.000 0.810 477 A CB 0.115 19.096 19.000 -0.031 0.000 1.066 477 A HN 1.798 nan 8.150 nan 0.000 0.492 478 S N 2.924 118.623 115.700 -0.002 0.000 2.576 478 S HA 0.184 4.654 4.470 -0.000 0.000 0.276 478 S C 0.095 174.756 174.600 0.101 0.000 1.339 478 S CA -0.801 57.415 58.200 0.025 0.000 1.039 478 S CB 0.121 63.322 63.200 0.001 0.000 0.902 478 S HN 0.645 nan 8.310 nan 0.000 0.516 479 N N 1.812 120.553 118.700 0.068 0.000 2.395 479 N HA 0.437 5.177 4.740 -0.000 0.000 0.246 479 N C -0.360 175.235 175.510 0.141 0.000 1.246 479 N CA 0.111 53.185 53.050 0.040 0.000 0.879 479 N CB -0.250 38.220 38.487 -0.029 0.000 1.098 479 N HN 0.763 nan 8.380 nan 0.000 0.444 480 F N -2.866 117.020 119.950 -0.107 0.000 2.711 480 F HA 0.583 5.110 4.527 0.000 0.000 0.313 480 F C -0.735 175.012 175.800 -0.088 0.000 1.141 480 F CA -1.095 56.855 58.000 -0.083 0.000 0.941 480 F CB 1.066 40.018 39.000 -0.081 0.000 1.349 480 F HN 0.063 nan 8.300 nan 0.000 0.464 481 T N 2.957 117.570 114.554 0.099 0.000 2.770 481 T HA 0.496 4.846 4.350 -0.000 0.000 0.283 481 T C -1.199 173.577 174.700 0.127 0.000 0.988 481 T CA -0.354 61.737 62.100 -0.015 0.000 0.957 481 T CB 1.301 70.177 68.868 0.013 0.000 0.930 481 T HN 0.668 nan 8.240 nan 0.000 0.443 482 L N 4.390 125.630 121.223 0.027 0.000 2.278 482 L HA 0.655 4.995 4.340 -0.000 0.000 0.287 482 L C 0.592 177.508 176.870 0.078 0.000 1.072 482 L CA -0.408 54.514 54.840 0.136 0.000 0.819 482 L CB -0.231 41.870 42.059 0.070 0.000 1.176 482 L HN 0.800 nan 8.230 nan 0.000 0.435 483 A N 7.039 129.916 122.820 0.095 0.000 2.547 483 A HA 0.357 4.677 4.320 -0.000 0.000 0.233 483 A C -2.229 175.388 177.584 0.057 0.000 1.067 483 A CA -0.760 51.317 52.037 0.066 0.000 0.763 483 A CB -0.918 18.120 19.000 0.063 0.000 1.007 483 A HN 0.702 nan 8.150 nan 0.000 0.506 484 P HA 0.225 nan 4.420 nan 0.000 0.263 484 P C 0.978 178.312 177.300 0.056 0.000 1.195 484 P CA 1.810 64.940 63.100 0.050 0.000 0.762 484 P CB 0.447 32.173 31.700 0.043 0.000 0.799 485 G N 2.309 111.150 108.800 0.067 0.000 2.189 485 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.267 485 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.267 485 G C 0.656 175.593 174.900 0.062 0.000 0.975 485 G CA -0.102 45.042 45.100 0.073 0.000 0.644 485 G HN 0.891 nan 8.290 nan 0.000 0.537 486 G N -0.378 108.458 108.800 0.060 0.000 2.380 486 G HA2 0.535 4.495 3.960 -0.000 0.000 0.242 486 G HA3 0.535 4.495 3.960 -0.000 0.000 0.242 486 G C -0.064 174.855 174.900 0.032 0.000 1.298 486 G CA 1.032 46.161 45.100 0.049 0.000 0.878 486 G HN 0.805 nan 8.290 nan 0.000 0.542 487 T N 0.399 114.944 114.554 -0.016 0.000 2.991 487 T HA 0.658 5.008 4.350 -0.000 0.000 0.303 487 T C -0.283 174.312 174.700 -0.175 0.000 1.015 487 T CA -0.051 62.005 62.100 -0.075 0.000 1.007 487 T CB 1.770 70.601 68.868 -0.061 0.000 1.034 487 T HN 1.089 nan 8.240 nan 0.000 0.446 488 A N 2.370 124.985 122.820 -0.342 0.000 2.475 488 A HA 0.924 5.244 4.320 -0.000 0.000 0.301 488 A C -1.268 175.764 177.584 -0.921 0.000 1.059 488 A CA -0.747 50.892 52.037 -0.663 0.000 0.710 488 A CB 1.652 20.123 19.000 -0.881 0.000 1.288 488 A HN 0.673 nan 8.150 nan 0.000 0.408 489 V N 1.967 121.321 119.914 -0.933 0.000 2.577 489 V HA 0.577 4.697 4.120 -0.000 0.000 0.303 489 V C -1.149 174.543 176.094 -0.669 0.000 1.042 489 V CA -0.514 61.381 62.300 -0.675 0.000 0.872 489 V CB 1.526 33.151 31.823 -0.330 0.000 0.998 489 V HN 0.848 nan 8.190 nan 0.000 0.423 490 W N 3.595 124.846 121.300 -0.082 0.000 2.844 490 W HA 0.778 5.438 4.660 -0.000 0.000 0.340 490 W C -0.325 176.137 176.519 -0.095 0.000 1.093 490 W CA -0.617 56.685 57.345 -0.072 0.000 1.212 490 W CB 2.215 31.598 29.460 -0.129 0.000 1.422 490 W HN 0.733 nan 8.180 nan 0.000 0.515 491 Q N 1.018 120.912 119.800 0.158 0.000 2.575 491 Q HA 0.652 4.992 4.340 -0.000 0.000 0.290 491 Q C -2.305 173.809 176.000 0.189 0.000 0.963 491 Q CA -1.090 54.771 55.803 0.097 0.000 0.783 491 Q CB 3.389 32.170 28.738 0.071 0.000 1.467 491 Q HN 0.379 nan 8.270 nan 0.000 0.402 492 Y N 0.644 120.963 120.300 0.032 0.000 2.401 492 Y HA 0.567 5.117 4.550 0.000 0.000 0.330 492 Y C -1.701 174.243 175.900 0.074 0.000 1.071 492 Y CA -0.085 58.075 58.100 0.100 0.000 1.049 492 Y CB 2.355 40.870 38.460 0.092 0.000 1.239 492 Y HN 0.933 nan 8.280 nan 0.000 0.437 493 T N 1.934 116.144 114.554 -0.574 0.000 2.887 493 T HA 0.818 5.168 4.350 -0.000 0.000 0.288 493 T C -0.577 173.754 174.700 -0.615 0.000 1.021 493 T CA -0.599 61.244 62.100 -0.428 0.000 1.000 493 T CB 2.082 70.833 68.868 -0.196 0.000 1.034 493 T HN 0.763 nan 8.240 nan 0.000 0.467 494 T N 0.154 114.523 114.554 -0.309 0.000 2.711 494 T HA 0.391 4.741 4.350 -0.000 0.000 0.302 494 T C -1.695 172.973 174.700 -0.053 0.000 1.373 494 T CA -0.703 61.293 62.100 -0.173 0.000 1.000 494 T CB 1.536 70.360 68.868 -0.074 0.000 1.483 494 T HN 0.736 nan 8.240 nan 0.000 0.499 495 D N 1.373 121.762 120.400 -0.019 0.000 2.313 495 D HA 0.537 5.177 4.640 -0.000 0.000 0.247 495 D C -0.251 176.048 176.300 -0.002 0.000 1.094 495 D CA -0.138 53.856 54.000 -0.009 0.000 0.925 495 D CB 1.411 42.210 40.800 -0.003 0.000 1.188 495 D HN 0.680 nan 8.370 nan 0.000 0.430 496 A N 0.652 123.460 122.820 -0.019 0.000 2.290 496 A HA 0.416 4.736 4.320 -0.000 0.000 0.310 496 A C 1.008 178.577 177.584 -0.024 0.000 1.202 496 A CA -0.530 51.483 52.037 -0.039 0.000 0.837 496 A CB 0.519 19.462 19.000 -0.094 0.000 1.139 496 A HN 0.541 nan 8.150 nan 0.000 0.509 497 T N -0.380 114.167 114.554 -0.011 0.000 3.044 497 T HA 0.108 4.458 4.350 -0.000 0.000 0.255 497 T C 0.866 175.575 174.700 0.016 0.000 1.073 497 T CA 1.088 63.193 62.100 0.008 0.000 1.125 497 T CB -0.447 68.430 68.868 0.014 0.000 0.908 497 T HN 0.856 nan 8.240 nan 0.000 0.480 498 T N 0.503 115.054 114.554 -0.005 0.000 2.888 498 T HA 0.580 4.930 4.350 -0.000 0.000 0.284 498 T C -3.327 171.374 174.700 0.002 0.000 1.017 498 T CA -2.630 59.478 62.100 0.012 0.000 1.022 498 T CB 1.681 70.547 68.868 -0.004 0.000 1.013 498 T HN -0.184 nan 8.240 nan 0.000 0.465 499 P HA 0.392 nan 4.420 nan 0.000 0.267 499 P C -0.915 176.413 177.300 0.047 0.000 1.205 499 P CA -0.116 63.076 63.100 0.154 0.000 0.765 499 P CB 0.107 32.000 31.700 0.321 0.000 0.828 500 I N 3.700 124.238 120.570 -0.054 0.000 2.534 500 I HA 0.377 4.547 4.170 -0.000 0.000 0.288 500 I C -0.102 176.063 176.117 0.081 0.000 1.077 500 I CA -0.718 60.511 61.300 -0.120 0.000 1.051 500 I CB 1.959 39.609 38.000 -0.584 0.000 1.234 500 I HN 0.117 nan 8.210 nan 0.000 0.425 501 I N 4.614 125.295 120.570 0.184 0.000 2.315 501 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 501 I C 1.162 177.402 176.117 0.206 0.000 1.006 501 I CA 0.124 61.540 61.300 0.193 0.000 1.265 501 I CB 1.593 39.660 38.000 0.113 0.000 1.387 501 I HN 0.862 nan 8.210 nan 0.000 0.475 502 G N 4.802 113.547 108.800 -0.091 0.000 2.673 502 G HA2 0.038 3.998 3.960 -0.000 0.000 0.208 502 G HA3 0.038 3.998 3.960 -0.000 0.000 0.208 502 G C 0.380 175.154 174.900 -0.209 0.000 1.128 502 G CA 0.284 45.170 45.100 -0.356 0.000 0.805 502 G HN 0.531 nan 8.290 nan 0.000 0.526 503 N N -1.218 117.246 118.700 -0.393 0.000 2.745 503 N HA 0.423 5.163 4.740 -0.000 0.000 0.256 503 N C -1.928 173.273 175.510 -0.515 0.000 1.268 503 N CA -0.278 52.585 53.050 -0.312 0.000 0.887 503 N CB 2.110 40.591 38.487 -0.010 0.000 1.575 503 N HN -0.135 nan 8.380 nan 0.000 0.496 504 V N 0.275 119.878 119.914 -0.519 0.000 2.709 504 V HA 0.946 5.066 4.120 -0.000 0.000 0.308 504 V C 0.123 176.197 176.094 -0.032 0.000 1.062 504 V CA -0.596 61.510 62.300 -0.323 0.000 0.901 504 V CB 1.812 33.396 31.823 -0.399 0.000 1.003 504 V HN 0.803 nan 8.190 nan 0.000 0.425 505 G N 4.215 113.037 108.800 0.037 0.000 2.753 505 G HA2 0.709 4.669 3.960 -0.000 0.000 0.295 505 G HA3 0.709 4.669 3.960 -0.000 0.000 0.295 505 G C -3.318 171.659 174.900 0.127 0.000 1.437 505 G CA -1.157 44.015 45.100 0.119 0.000 1.094 505 G HN 0.487 nan 8.290 nan 0.000 0.540 506 P HA 0.220 nan 4.420 nan 0.000 0.274 506 P C 0.291 177.715 177.300 0.206 0.000 1.256 506 P CA -0.414 62.773 63.100 0.146 0.000 0.795 506 P CB 1.372 33.124 31.700 0.087 0.000 1.038 507 M N -0.002 119.636 119.600 0.064 0.000 2.383 507 M HA 0.280 4.760 4.480 -0.000 0.000 0.247 507 M C 0.514 176.465 176.300 -0.581 0.000 1.117 507 M CA 0.341 55.590 55.300 -0.084 0.000 0.995 507 M CB -0.569 32.047 32.600 0.028 0.000 1.480 507 M HN 0.452 nan 8.290 nan 0.000 0.485 508 M N 0.883 120.231 119.600 -0.419 0.000 2.234 508 M HA 0.605 5.085 4.480 -0.000 0.000 0.267 508 M C -2.117 174.066 176.300 -0.195 0.000 1.022 508 M CA -0.196 54.862 55.300 -0.404 0.000 0.993 508 M CB 2.095 34.553 32.600 -0.236 0.000 1.836 508 M HN 0.042 nan 8.290 nan 0.000 0.479 509 A N 3.750 126.499 122.820 -0.119 0.000 2.586 509 A HA 0.617 4.937 4.320 -0.000 0.000 0.291 509 A C -1.770 175.837 177.584 0.039 0.000 1.062 509 A CA -0.986 51.056 52.037 0.009 0.000 0.666 509 A CB 1.593 20.648 19.000 0.091 0.000 1.281 509 A HN 0.875 nan 8.150 nan 0.000 0.421 510 K N 0.243 120.655 120.400 0.021 0.000 2.107 510 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 510 K C -2.638 173.958 176.600 -0.005 0.000 1.012 510 K CA -1.460 54.832 56.287 0.010 0.000 0.920 510 K CB 0.026 32.526 32.500 0.000 0.000 1.033 510 K HN 0.250 nan 8.250 nan 0.000 0.478 511 P HA -0.098 nan 4.420 nan 0.000 0.263 511 P C 0.482 177.741 177.300 -0.069 0.000 1.175 511 P CA 1.703 64.749 63.100 -0.090 0.000 0.761 511 P CB 0.403 32.048 31.700 -0.092 0.000 0.794 512 G N 0.982 109.726 108.800 -0.093 0.000 2.234 512 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.235 512 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.235 512 G C 0.161 175.035 174.900 -0.044 0.000 0.997 512 G CA -0.145 44.915 45.100 -0.066 0.000 0.623 512 G HN 0.547 nan 8.290 nan 0.000 0.514 513 V N 2.430 122.329 119.914 -0.026 0.000 2.637 513 V HA 0.415 4.535 4.120 -0.000 0.000 0.296 513 V C 1.058 177.151 176.094 -0.001 0.000 1.046 513 V CA 0.742 63.041 62.300 -0.002 0.000 1.066 513 V CB 1.347 33.189 31.823 0.030 0.000 0.968 513 V HN 0.341 nan 8.190 nan 0.000 0.483 514 T N 6.953 121.504 114.554 -0.004 0.000 2.737 514 T HA 0.463 4.813 4.350 -0.000 0.000 0.296 514 T C 0.019 174.730 174.700 0.019 0.000 0.922 514 T CA 0.035 62.133 62.100 -0.004 0.000 1.079 514 T CB -0.058 68.799 68.868 -0.019 0.000 0.892 514 T HN 0.578 nan 8.240 nan 0.000 0.514 515 I N 0.254 120.841 120.570 0.029 0.000 2.793 515 I HA 0.726 4.896 4.170 -0.000 0.000 0.313 515 I C -0.127 175.974 176.117 -0.026 0.000 0.998 515 I CA -0.752 60.573 61.300 0.041 0.000 1.140 515 I CB 1.678 39.728 38.000 0.084 0.000 1.327 515 I HN 0.263 nan 8.210 nan 0.000 0.491 516 T N 4.865 119.399 114.554 -0.034 0.000 2.786 516 T HA 0.598 4.948 4.350 -0.000 0.000 0.283 516 T C -0.315 174.307 174.700 -0.130 0.000 0.992 516 T CA -0.200 61.854 62.100 -0.077 0.000 0.954 516 T CB 0.784 69.629 68.868 -0.039 0.000 0.934 516 T HN 0.372 nan 8.240 nan 0.000 0.440 517 I N 3.521 123.969 120.570 -0.203 0.000 2.362 517 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 517 I C -0.519 175.507 176.117 -0.150 0.000 0.994 517 I CA -0.810 60.328 61.300 -0.269 0.000 1.158 517 I CB 1.480 39.221 38.000 -0.431 0.000 1.315 517 I HN 0.439 nan 8.210 nan 0.000 0.451 518 D N 4.581 124.908 120.400 -0.121 0.000 2.252 518 D HA 0.780 5.420 4.640 -0.000 0.000 0.245 518 D C 0.213 176.397 176.300 -0.194 0.000 1.009 518 D CA -0.051 53.906 54.000 -0.073 0.000 0.870 518 D CB 2.550 43.277 40.800 -0.121 0.000 1.251 518 D HN 0.776 nan 8.370 nan 0.000 0.460 519 G N 0.617 109.244 108.800 -0.289 0.000 2.485 519 G HA2 0.353 4.313 3.960 -0.000 0.000 0.182 519 G HA3 0.353 4.313 3.960 -0.000 0.000 0.182 519 G C -1.293 173.289 174.900 -0.531 0.000 1.172 519 G CA -0.555 44.279 45.100 -0.444 0.000 0.996 519 G HN 0.288 nan 8.290 nan 0.000 0.496 520 R N -1.022 119.106 120.500 -0.621 0.000 2.739 520 R HA 0.615 4.955 4.340 -0.000 0.000 0.271 520 R C 0.472 176.423 176.300 -0.582 0.000 1.010 520 R CA -0.031 55.799 56.100 -0.451 0.000 0.897 520 R CB 1.197 31.491 30.300 -0.010 0.000 1.236 520 R HN 2.196 nan 8.270 nan 0.000 0.466 521 G N 0.742 109.337 108.800 -0.341 0.000 2.143 521 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 521 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 521 G C 0.629 175.543 174.900 0.024 0.000 0.991 521 G CA 0.552 45.569 45.100 -0.138 0.000 0.689 521 G HN 0.569 nan 8.290 nan 0.000 0.522 522 F N 0.920 120.885 119.950 0.026 0.000 2.325 522 F HA 0.303 4.829 4.527 -0.000 0.000 0.299 522 F C 2.052 178.084 175.800 0.387 0.000 1.090 522 F CA 0.793 58.848 58.000 0.093 0.000 1.392 522 F CB 0.078 38.900 39.000 -0.297 0.000 1.053 522 F HN 0.858 nan 8.300 nan 0.000 0.521 523 G N 0.205 109.251 108.800 0.410 0.000 2.756 523 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.678 523 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.678 523 G C 0.378 175.530 174.900 0.420 0.000 1.349 523 G CA -0.336 44.965 45.100 0.335 0.000 0.847 523 G HN 0.084 nan 8.290 nan 0.000 0.548 524 S N -0.046 115.794 115.700 0.233 0.000 2.414 524 S HA 0.294 4.764 4.470 -0.000 0.000 0.227 524 S C 1.532 176.201 174.600 0.116 0.000 1.022 524 S CA 1.290 59.606 58.200 0.193 0.000 0.958 524 S CB 0.032 63.288 63.200 0.094 0.000 0.797 524 S HN 1.564 nan 8.310 nan 0.000 0.493 525 G N 1.509 110.282 108.800 -0.045 0.000 2.377 525 G HA2 0.413 4.373 3.960 -0.000 0.000 0.299 525 G HA3 0.413 4.373 3.960 -0.000 0.000 0.299 525 G C -0.669 173.778 174.900 -0.755 0.000 1.150 525 G CA -0.700 44.251 45.100 -0.248 0.000 0.847 525 G HN 0.156 nan 8.290 nan 0.000 0.501 526 K N 0.939 120.876 120.400 -0.771 0.000 2.484 526 K HA 0.199 4.519 4.320 -0.000 0.000 0.280 526 K C 0.882 176.717 176.600 -1.275 0.000 1.013 526 K CA 0.480 56.035 56.287 -1.219 0.000 1.029 526 K CB 0.989 33.186 32.500 -0.504 0.000 0.902 526 K HN 0.543 nan 8.250 nan 0.000 0.481 527 G N 1.777 109.360 108.800 -2.029 0.000 3.194 527 G HA2 0.328 4.288 3.960 -0.000 0.000 0.160 527 G HA3 0.328 4.288 3.960 -0.000 0.000 0.160 527 G C -0.790 173.829 174.900 -0.467 0.000 1.267 527 G CA -0.237 44.307 45.100 -0.927 0.000 0.962 527 G HN 0.486 nan 8.290 nan 0.000 0.612 528 T N -0.196 114.286 114.554 -0.120 0.000 2.876 528 T HA 0.571 4.921 4.350 -0.000 0.000 0.289 528 T C -0.965 173.667 174.700 -0.113 0.000 1.014 528 T CA -0.264 61.736 62.100 -0.167 0.000 0.986 528 T CB 2.104 70.780 68.868 -0.321 0.000 1.021 528 T HN 0.308 nan 8.240 nan 0.000 0.458 529 V N 2.965 122.751 119.914 -0.213 0.000 2.459 529 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 529 V C -1.245 174.629 176.094 -0.366 0.000 1.029 529 V CA -0.920 61.248 62.300 -0.221 0.000 0.874 529 V CB 0.977 32.714 31.823 -0.142 0.000 0.985 529 V HN 0.825 nan 8.190 nan 0.000 0.438 530 Y N 3.771 124.013 120.300 -0.096 0.000 2.330 530 Y HA 0.594 5.144 4.550 0.000 0.000 0.336 530 Y C -0.367 175.447 175.900 -0.143 0.000 1.036 530 Y CA -0.466 57.616 58.100 -0.030 0.000 1.125 530 Y CB 1.578 40.031 38.460 -0.011 0.000 1.194 530 Y HN 0.525 nan 8.280 nan 0.000 0.469 531 F N 2.487 122.482 119.950 0.076 0.000 2.347 531 F HA 0.519 5.046 4.527 -0.000 0.000 0.366 531 F C 0.903 176.817 175.800 0.189 0.000 1.107 531 F CA -0.281 57.729 58.000 0.016 0.000 1.058 531 F CB 0.977 39.837 39.000 -0.233 0.000 1.236 531 F HN 0.800 nan 8.300 nan 0.000 0.456 532 G N 2.475 111.532 108.800 0.429 0.000 2.591 532 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.298 532 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.298 532 G C 1.050 176.111 174.900 0.268 0.000 1.195 532 G CA 0.520 45.844 45.100 0.373 0.000 0.989 532 G HN 0.808 nan 8.290 nan 0.000 0.551 533 T N -1.860 112.839 114.554 0.242 0.000 3.086 533 T HA 0.426 4.776 4.350 -0.000 0.000 0.250 533 T C 0.961 175.841 174.700 0.300 0.000 1.074 533 T CA 1.346 63.571 62.100 0.207 0.000 0.988 533 T CB 0.098 69.039 68.868 0.122 0.000 0.988 533 T HN 0.737 nan 8.240 nan 0.000 0.530 534 T N 3.314 118.039 114.554 0.286 0.000 2.761 534 T HA 0.607 4.956 4.350 -0.000 0.000 0.296 534 T C 0.200 175.013 174.700 0.189 0.000 0.934 534 T CA -0.452 61.769 62.100 0.202 0.000 1.091 534 T CB 0.764 69.703 68.868 0.118 0.000 0.896 534 T HN 0.512 nan 8.240 nan 0.000 0.515 535 A N 3.232 126.096 122.820 0.072 0.000 2.301 535 A HA 0.700 5.020 4.320 -0.000 0.000 0.312 535 A C -0.031 177.477 177.584 -0.127 0.000 1.182 535 A CA -0.726 51.196 52.037 -0.191 0.000 0.826 535 A CB 0.750 19.633 19.000 -0.194 0.000 1.134 535 A HN 0.807 nan 8.150 nan 0.000 0.501 536 V N 2.809 122.631 119.914 -0.153 0.000 2.588 536 V HA 0.892 5.012 4.120 -0.000 0.000 0.304 536 V C -0.210 175.823 176.094 -0.101 0.000 1.042 536 V CA 0.568 62.821 62.300 -0.078 0.000 0.877 536 V CB 1.596 33.418 31.823 -0.001 0.000 0.996 536 V HN 1.428 nan 8.190 nan 0.000 0.425 537 T N 2.400 116.903 114.554 -0.085 0.000 2.804 537 T HA 0.909 5.258 4.350 -0.000 0.000 0.290 537 T C 0.791 175.450 174.700 -0.069 0.000 1.099 537 T CA 0.159 62.203 62.100 -0.094 0.000 1.011 537 T CB 1.039 69.841 68.868 -0.110 0.000 1.291 537 T HN 2.364 nan 8.240 nan 0.000 0.523 538 G N 1.076 109.826 108.800 -0.082 0.000 2.622 538 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.307 538 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.307 538 G C 1.272 176.146 174.900 -0.042 0.000 1.226 538 G CA 1.178 46.239 45.100 -0.066 0.000 0.997 538 G HN 1.874 nan 8.290 nan 0.000 0.551 539 A N -0.811 121.987 122.820 -0.036 0.000 2.067 539 A HA 0.137 4.456 4.320 -0.000 0.000 0.219 539 A C 1.911 179.482 177.584 -0.021 0.000 1.158 539 A CA 2.226 54.248 52.037 -0.026 0.000 0.661 539 A CB -0.361 18.624 19.000 -0.026 0.000 0.801 539 A HN 0.598 nan 8.150 nan 0.000 0.452 540 D N -0.158 120.226 120.400 -0.026 0.000 2.312 540 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 540 D C 0.429 176.724 176.300 -0.008 0.000 0.964 540 D CA 0.612 54.595 54.000 -0.027 0.000 0.877 540 D CB -0.058 40.717 40.800 -0.041 0.000 0.924 540 D HN 0.444 nan 8.370 nan 0.000 0.515 541 I N 1.463 122.040 120.570 0.011 0.000 2.308 541 I HA -0.020 4.150 4.170 -0.000 0.000 0.293 541 I C 1.452 177.594 176.117 0.041 0.000 1.078 541 I CA -0.437 60.895 61.300 0.053 0.000 1.292 541 I CB 1.772 39.844 38.000 0.120 0.000 1.423 541 I HN -0.277 nan 8.210 nan 0.000 0.493 542 V N 6.113 126.042 119.914 0.024 0.000 2.379 542 V HA -0.015 4.105 4.120 -0.000 0.000 0.245 542 V C 0.968 177.080 176.094 0.029 0.000 1.044 542 V CA 1.377 63.685 62.300 0.012 0.000 1.036 542 V CB -0.264 31.555 31.823 -0.006 0.000 0.664 542 V HN 0.836 nan 8.190 nan 0.000 0.453 543 A N -1.461 121.386 122.820 0.045 0.000 2.520 543 A HA 0.620 4.940 4.320 -0.000 0.000 0.298 543 A C -1.908 175.752 177.584 0.128 0.000 1.051 543 A CA -0.391 51.685 52.037 0.065 0.000 0.690 543 A CB 1.627 20.637 19.000 0.017 0.000 1.281 543 A HN 0.263 nan 8.150 nan 0.000 0.402 544 W N 3.161 124.442 121.300 -0.032 0.000 2.900 544 W HA 0.564 5.224 4.660 -0.000 0.000 0.336 544 W C -0.883 175.647 176.519 0.019 0.000 1.064 544 W CA -0.245 57.086 57.345 -0.024 0.000 1.237 544 W CB 1.833 31.270 29.460 -0.039 0.000 1.391 544 W HN 1.042 nan 8.180 nan 0.000 0.468 545 E N 1.308 121.553 120.200 0.074 0.000 2.442 545 E HA 0.210 4.560 4.350 -0.000 0.000 0.271 545 E C -0.564 176.111 176.600 0.125 0.000 1.002 545 E CA -0.564 55.944 56.400 0.179 0.000 0.864 545 E CB 1.448 31.207 29.700 0.098 0.000 1.573 545 E HN 0.174 nan 8.360 nan 0.000 0.456 546 D N -0.407 120.063 120.400 0.117 0.000 2.219 546 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 546 D C 1.551 177.763 176.300 -0.147 0.000 0.970 546 D CA 2.294 56.324 54.000 0.049 0.000 0.851 546 D CB 0.217 41.023 40.800 0.011 0.000 0.943 546 D HN 0.535 nan 8.370 nan 0.000 0.488 547 T N -3.498 111.009 114.554 -0.079 0.000 3.023 547 T HA 0.136 4.486 4.350 -0.000 0.000 0.253 547 T C 0.545 175.257 174.700 0.020 0.000 1.038 547 T CA -0.500 61.507 62.100 -0.156 0.000 0.962 547 T CB 0.477 69.295 68.868 -0.083 0.000 1.018 547 T HN 0.096 nan 8.240 nan 0.000 0.521 548 Q N 0.055 119.941 119.800 0.142 0.000 2.352 548 Q HA 0.601 4.941 4.340 -0.000 0.000 0.270 548 Q C -2.205 173.708 176.000 -0.145 0.000 1.006 548 Q CA -0.801 55.040 55.803 0.062 0.000 0.880 548 Q CB 1.957 30.684 28.738 -0.017 0.000 1.392 548 Q HN 0.417 nan 8.270 nan 0.000 0.401 549 I N 2.474 122.838 120.570 -0.343 0.000 2.509 549 I HA 0.375 4.545 4.170 -0.000 0.000 0.293 549 I C -0.676 175.288 176.117 -0.254 0.000 1.020 549 I CA -0.600 60.422 61.300 -0.464 0.000 1.088 549 I CB 2.236 39.695 38.000 -0.902 0.000 1.267 549 I HN 0.518 nan 8.210 nan 0.000 0.430 550 Q N 4.807 124.522 119.800 -0.142 0.000 2.331 550 Q HA 0.692 5.031 4.340 -0.000 0.000 0.267 550 Q C -1.401 174.567 176.000 -0.053 0.000 1.006 550 Q CA -0.580 55.171 55.803 -0.086 0.000 0.818 550 Q CB 3.294 32.001 28.738 -0.051 0.000 1.276 550 Q HN 0.486 nan 8.270 nan 0.000 0.450 551 V N 2.698 122.585 119.914 -0.045 0.000 2.888 551 V HA 0.416 4.536 4.120 -0.000 0.000 0.309 551 V C -1.433 174.662 176.094 0.003 0.000 1.114 551 V CA -0.808 61.489 62.300 -0.006 0.000 0.940 551 V CB 2.195 34.018 31.823 0.001 0.000 1.021 551 V HN 0.629 nan 8.190 nan 0.000 0.426 552 K N 5.884 126.273 120.400 -0.019 0.000 2.249 552 K HA 0.461 4.781 4.320 -0.000 0.000 0.280 552 K C -0.364 176.144 176.600 -0.153 0.000 1.033 552 K CA -0.273 55.977 56.287 -0.062 0.000 0.946 552 K CB 1.402 33.860 32.500 -0.070 0.000 1.005 552 K HN 0.625 nan 8.250 nan 0.000 0.469 553 I N 5.783 126.214 120.570 -0.232 0.000 2.598 553 I HA -0.017 4.153 4.170 -0.000 0.000 0.284 553 I C -1.437 174.373 176.117 -0.510 0.000 1.140 553 I CA -1.451 59.503 61.300 -0.577 0.000 1.420 553 I CB 0.251 38.040 38.000 -0.352 0.000 1.387 553 I HN 0.356 nan 8.210 nan 0.000 0.553 554 P HA 0.041 nan 4.420 nan 0.000 0.273 554 P C -0.734 176.380 177.300 -0.311 0.000 1.250 554 P CA -0.532 62.332 63.100 -0.392 0.000 0.793 554 P CB 0.721 32.199 31.700 -0.370 0.000 1.011 555 A N 1.546 124.254 122.820 -0.187 0.000 3.056 555 A HA 0.407 4.727 4.320 -0.000 0.000 0.274 555 A C 0.603 178.124 177.584 -0.105 0.000 1.661 555 A CA -0.447 51.515 52.037 -0.125 0.000 1.363 555 A CB -1.400 17.554 19.000 -0.077 0.000 1.139 555 A HN 0.378 nan 8.150 nan 0.000 0.598 556 V N -0.736 119.088 119.914 -0.149 0.000 2.834 556 V HA 0.687 4.807 4.120 -0.000 0.000 0.313 556 V C -2.269 173.836 176.094 0.018 0.000 1.060 556 V CA -2.443 59.808 62.300 -0.082 0.000 0.989 556 V CB 0.943 32.618 31.823 -0.247 0.000 1.041 556 V HN 0.525 nan 8.190 nan 0.000 0.459 557 P HA 0.190 nan 4.420 nan 0.000 0.268 557 P C 0.341 177.767 177.300 0.211 0.000 1.208 557 P CA 0.382 63.566 63.100 0.140 0.000 0.777 557 P CB 0.301 32.085 31.700 0.139 0.000 0.875 558 G N 0.088 108.976 108.800 0.147 0.000 2.491 558 G HA2 0.461 4.421 3.960 -0.000 0.000 0.238 558 G HA3 0.461 4.421 3.960 -0.000 0.000 0.238 558 G C 0.242 175.253 174.900 0.186 0.000 1.277 558 G CA 0.412 45.608 45.100 0.160 0.000 0.851 558 G HN 0.848 nan 8.290 nan 0.000 0.573 559 G N 0.219 109.149 108.800 0.217 0.000 2.356 559 G HA2 0.452 4.412 3.960 -0.000 0.000 0.288 559 G HA3 0.452 4.412 3.960 -0.000 0.000 0.288 559 G C -0.935 174.019 174.900 0.089 0.000 1.302 559 G CA -0.346 44.799 45.100 0.075 0.000 0.887 559 G HN 1.515 nan 8.290 nan 0.000 0.521 560 I N -1.866 118.653 120.570 -0.085 0.000 2.441 560 I HA 0.876 5.045 4.170 -0.000 0.000 0.295 560 I C -1.293 174.736 176.117 -0.148 0.000 0.994 560 I CA -1.196 60.126 61.300 0.036 0.000 1.144 560 I CB 1.707 39.730 38.000 0.038 0.000 1.314 560 I HN 0.494 nan 8.210 nan 0.000 0.445 561 Y N 3.082 123.531 120.300 0.248 0.000 2.524 561 Y HA 0.497 5.047 4.550 -0.000 0.000 0.344 561 Y C -0.381 175.650 175.900 0.219 0.000 1.012 561 Y CA -0.761 57.490 58.100 0.252 0.000 1.068 561 Y CB 1.447 40.125 38.460 0.364 0.000 1.249 561 Y HN 0.525 nan 8.280 nan 0.000 0.468 562 D N 2.338 122.913 120.400 0.290 0.000 2.210 562 D HA 0.399 5.039 4.640 -0.000 0.000 0.249 562 D C -0.425 175.946 176.300 0.119 0.000 1.078 562 D CA 0.047 54.154 54.000 0.178 0.000 0.875 562 D CB 1.620 42.486 40.800 0.110 0.000 1.175 562 D HN 0.370 nan 8.370 nan 0.000 0.440 563 I N 1.588 122.182 120.570 0.039 0.000 2.525 563 I HA 0.446 4.615 4.170 -0.000 0.000 0.301 563 I C 0.342 176.432 176.117 -0.045 0.000 0.992 563 I CA -0.654 60.548 61.300 -0.162 0.000 1.162 563 I CB 1.690 39.502 38.000 -0.314 0.000 1.332 563 I HN 0.036 nan 8.210 nan 0.000 0.458 564 R N 3.763 124.231 120.500 -0.053 0.000 2.604 564 R HA 0.664 5.004 4.340 -0.000 0.000 0.270 564 R C -2.076 174.262 176.300 0.063 0.000 1.052 564 R CA -0.546 55.577 56.100 0.039 0.000 0.902 564 R CB 2.368 32.715 30.300 0.079 0.000 1.233 564 R HN 0.403 nan 8.270 nan 0.000 0.455 565 V N 2.351 122.291 119.914 0.043 0.000 2.581 565 V HA 0.791 4.911 4.120 -0.000 0.000 0.303 565 V C -0.473 175.733 176.094 0.188 0.000 1.041 565 V CA -0.615 61.703 62.300 0.031 0.000 0.907 565 V CB 1.697 33.387 31.823 -0.221 0.000 0.994 565 V HN 0.893 nan 8.190 nan 0.000 0.442 566 A N 3.802 126.779 122.820 0.262 0.000 2.343 566 A HA 0.768 5.088 4.320 -0.000 0.000 0.316 566 A C -0.149 177.600 177.584 0.275 0.000 1.104 566 A CA -0.781 51.409 52.037 0.255 0.000 0.768 566 A CB 0.855 20.020 19.000 0.276 0.000 1.213 566 A HN 0.944 nan 8.150 nan 0.000 0.456 567 N N 1.617 120.472 118.700 0.258 0.000 2.327 567 N HA 0.359 5.099 4.740 -0.000 0.000 0.257 567 N C 1.049 176.582 175.510 0.038 0.000 1.281 567 N CA 0.089 53.295 53.050 0.260 0.000 0.942 567 N CB 0.387 39.038 38.487 0.273 0.000 1.199 567 N HN 0.592 nan 8.380 nan 0.000 0.532 568 A N -1.014 121.760 122.820 -0.076 0.000 2.131 568 A HA 0.034 4.353 4.320 -0.000 0.000 0.220 568 A C 1.822 179.374 177.584 -0.053 0.000 1.158 568 A CA 1.725 53.681 52.037 -0.135 0.000 0.665 568 A CB -1.233 17.668 19.000 -0.165 0.000 0.795 568 A HN 0.869 nan 8.150 nan 0.000 0.460 569 A N -2.240 120.578 122.820 -0.002 0.000 2.308 569 A HA 0.448 4.768 4.320 -0.000 0.000 0.217 569 A C 1.736 179.334 177.584 0.024 0.000 1.216 569 A CA 1.053 53.096 52.037 0.010 0.000 0.864 569 A CB -0.636 18.378 19.000 0.024 0.000 0.902 569 A HN 1.786 nan 8.150 nan 0.000 0.499 570 G N -1.604 107.218 108.800 0.037 0.000 2.176 570 G HA2 0.048 4.008 3.960 -0.000 0.000 0.253 570 G HA3 0.048 4.008 3.960 -0.000 0.000 0.253 570 G C 0.467 175.409 174.900 0.071 0.000 0.979 570 G CA 0.224 45.358 45.100 0.056 0.000 0.641 570 G HN 1.627 nan 8.290 nan 0.000 0.530 571 A N 0.227 123.092 122.820 0.074 0.000 2.454 571 A HA 0.805 5.125 4.320 -0.000 0.000 0.260 571 A C 0.816 178.460 177.584 0.100 0.000 1.106 571 A CA 1.111 53.191 52.037 0.073 0.000 0.780 571 A CB 0.456 19.496 19.000 0.068 0.000 1.044 571 A HN 2.041 nan 8.150 nan 0.000 0.498 572 A N 2.785 125.653 122.820 0.080 0.000 2.295 572 A HA 0.695 5.015 4.320 -0.000 0.000 0.318 572 A C 0.852 178.481 177.584 0.075 0.000 1.134 572 A CA 0.117 52.208 52.037 0.091 0.000 0.827 572 A CB 0.339 19.368 19.000 0.048 0.000 1.136 572 A HN 1.685 nan 8.150 nan 0.000 0.493 573 S N 1.601 117.356 115.700 0.091 0.000 2.671 573 S HA 0.325 4.795 4.470 -0.000 0.000 0.272 573 S C 0.329 174.959 174.600 0.050 0.000 1.174 573 S CA -0.524 57.722 58.200 0.078 0.000 1.004 573 S CB 0.117 63.387 63.200 0.117 0.000 1.077 573 S HN 0.930 nan 8.310 nan 0.000 0.553 574 N N 0.119 118.847 118.700 0.047 0.000 2.371 574 N HA 0.082 4.821 4.740 -0.000 0.000 0.243 574 N C -0.385 175.169 175.510 0.073 0.000 1.287 574 N CA -0.365 52.714 53.050 0.048 0.000 0.911 574 N CB -0.105 38.413 38.487 0.052 0.000 1.142 574 N HN 0.564 nan 8.380 nan 0.000 0.451 575 I N 0.777 121.384 120.570 0.061 0.000 2.395 575 I HA 0.072 4.242 4.170 -0.000 0.000 0.289 575 I C -0.440 175.747 176.117 0.117 0.000 1.023 575 I CA -0.391 60.950 61.300 0.069 0.000 1.350 575 I CB -0.157 37.863 38.000 0.034 0.000 1.409 575 I HN 0.548 nan 8.210 nan 0.000 0.507 576 Y N 6.628 126.935 120.300 0.012 0.000 2.402 576 Y HA 0.195 4.745 4.550 -0.000 0.000 0.332 576 Y C 0.404 176.339 175.900 0.058 0.000 0.960 576 Y CA -0.822 57.298 58.100 0.033 0.000 1.228 576 Y CB 0.456 38.925 38.460 0.015 0.000 1.120 576 Y HN 0.631 nan 8.280 nan 0.000 0.491 577 D N 2.204 122.595 120.400 -0.016 0.000 2.478 577 D HA 0.113 4.753 4.640 -0.000 0.000 0.269 577 D C 0.062 176.430 176.300 0.114 0.000 1.232 577 D CA -0.413 53.623 54.000 0.060 0.000 1.059 577 D CB 0.536 41.335 40.800 -0.002 0.000 1.104 577 D HN 0.575 nan 8.370 nan 0.000 0.566 578 N N -2.550 116.224 118.700 0.123 0.000 2.776 578 N HA -0.230 4.510 4.740 -0.000 0.000 0.250 578 N C -1.217 174.405 175.510 0.187 0.000 1.112 578 N CA 0.191 53.310 53.050 0.115 0.000 0.733 578 N CB -1.897 36.620 38.487 0.049 0.000 1.097 578 N HN 0.424 nan 8.380 nan 0.000 0.558 579 F N 1.520 121.577 119.950 0.179 0.000 2.427 579 F HA 0.344 4.871 4.527 -0.000 0.000 0.352 579 F C 0.723 176.663 175.800 0.233 0.000 1.100 579 F CA -0.382 57.750 58.000 0.219 0.000 1.191 579 F CB 0.721 39.884 39.000 0.272 0.000 1.128 579 F HN 0.118 nan 8.300 nan 0.000 0.533 580 E N 5.571 125.467 120.200 -0.507 0.000 2.113 580 E HA 0.386 4.736 4.350 -0.000 0.000 0.273 580 E C -1.473 175.021 176.600 -0.178 0.000 0.924 580 E CA -0.738 55.555 56.400 -0.177 0.000 0.764 580 E CB 1.236 30.837 29.700 -0.165 0.000 1.104 580 E HN 0.500 nan 8.360 nan 0.000 0.406 581 V N 6.363 126.402 119.914 0.207 0.000 2.461 581 V HA 0.195 4.315 4.120 -0.000 0.000 0.275 581 V C 0.489 176.645 176.094 0.103 0.000 1.047 581 V CA -0.412 62.008 62.300 0.200 0.000 0.955 581 V CB 0.821 32.774 31.823 0.218 0.000 0.988 581 V HN 0.685 nan 8.190 nan 0.000 0.471 582 L N 3.819 125.066 121.223 0.040 0.000 2.439 582 L HA 0.274 4.614 4.340 -0.000 0.000 0.261 582 L C 1.661 178.550 176.870 0.032 0.000 1.153 582 L CA -0.238 54.615 54.840 0.021 0.000 0.808 582 L CB 0.898 42.955 42.059 -0.004 0.000 1.126 582 L HN 0.656 nan 8.230 nan 0.000 0.460 583 T N 0.118 114.688 114.554 0.028 0.000 2.995 583 T HA 0.138 4.488 4.350 -0.000 0.000 0.269 583 T C 0.626 175.336 174.700 0.016 0.000 1.091 583 T CA 0.886 63.002 62.100 0.026 0.000 1.128 583 T CB 0.079 68.962 68.868 0.025 0.000 0.891 583 T HN 0.905 nan 8.240 nan 0.000 0.492 584 G N 0.083 108.889 108.800 0.011 0.000 2.399 584 G HA2 0.234 4.194 3.960 -0.000 0.000 0.256 584 G HA3 0.234 4.194 3.960 -0.000 0.000 0.256 584 G C -2.082 172.820 174.900 0.003 0.000 1.236 584 G CA -0.829 44.275 45.100 0.006 0.000 0.914 584 G HN 0.039 nan 8.290 nan 0.000 0.482 585 D N 0.781 121.183 120.400 0.003 0.000 2.368 585 D HA 0.391 5.031 4.640 -0.000 0.000 0.240 585 D C -0.076 176.227 176.300 0.004 0.000 1.169 585 D CA 0.409 54.409 54.000 -0.000 0.000 0.906 585 D CB 0.941 41.742 40.800 0.001 0.000 1.187 585 D HN 0.192 nan 8.370 nan 0.000 0.435 586 Q N 0.211 120.010 119.800 -0.002 0.000 2.301 586 Q HA 0.564 4.904 4.340 -0.000 0.000 0.267 586 Q C -0.353 175.662 176.000 0.025 0.000 1.035 586 Q CA -0.956 54.853 55.803 0.010 0.000 0.856 586 Q CB 2.252 30.984 28.738 -0.009 0.000 1.337 586 Q HN 0.318 nan 8.270 nan 0.000 0.450 587 V N -2.243 117.703 119.914 0.053 0.000 3.007 587 V HA 0.723 4.843 4.120 -0.000 0.000 0.311 587 V C -0.370 175.793 176.094 0.115 0.000 1.120 587 V CA -0.896 61.454 62.300 0.083 0.000 0.980 587 V CB 1.870 33.747 31.823 0.090 0.000 1.033 587 V HN 0.725 nan 8.190 nan 0.000 0.429 588 T N 2.099 116.749 114.554 0.158 0.000 2.749 588 T HA 0.656 5.006 4.350 -0.000 0.000 0.287 588 T C -0.766 174.038 174.700 0.173 0.000 0.970 588 T CA -0.206 62.012 62.100 0.196 0.000 0.980 588 T CB 0.851 69.894 68.868 0.292 0.000 0.924 588 T HN 0.794 nan 8.240 nan 0.000 0.456 589 V N 6.182 126.177 119.914 0.135 0.000 2.459 589 V HA 0.532 4.652 4.120 -0.000 0.000 0.295 589 V C 0.271 176.348 176.094 -0.028 0.000 1.029 589 V CA -1.086 61.195 62.300 -0.031 0.000 0.874 589 V CB 1.585 33.280 31.823 -0.214 0.000 0.985 589 V HN 0.885 nan 8.190 nan 0.000 0.438 590 R N 4.219 124.692 120.500 -0.044 0.000 2.267 590 R HA 0.388 4.727 4.340 -0.000 0.000 0.319 590 R C -1.362 174.897 176.300 -0.068 0.000 1.067 590 R CA 0.196 56.347 56.100 0.086 0.000 0.936 590 R CB 0.142 30.523 30.300 0.134 0.000 1.006 590 R HN 0.461 nan 8.270 nan 0.000 0.452 591 F N 4.121 124.155 119.950 0.139 0.000 2.436 591 F HA 0.454 4.981 4.527 -0.000 0.000 0.340 591 F C -0.335 175.568 175.800 0.173 0.000 1.113 591 F CA -0.797 57.293 58.000 0.150 0.000 1.022 591 F CB 1.936 41.087 39.000 0.252 0.000 1.128 591 F HN 0.131 nan 8.300 nan 0.000 0.466 592 V N 5.335 125.364 119.914 0.191 0.000 2.531 592 V HA 0.477 4.597 4.120 -0.000 0.000 0.301 592 V C -0.748 175.293 176.094 -0.089 0.000 1.034 592 V CA -0.808 61.467 62.300 -0.041 0.000 0.865 592 V CB 2.097 33.699 31.823 -0.369 0.000 0.995 592 V HN 0.653 nan 8.190 nan 0.000 0.424 593 I N 4.472 124.956 120.570 -0.144 0.000 2.466 593 I HA 0.568 4.738 4.170 -0.000 0.000 0.289 593 I C -0.424 175.646 176.117 -0.078 0.000 1.026 593 I CA -0.140 61.004 61.300 -0.260 0.000 1.078 593 I CB 1.806 39.369 38.000 -0.729 0.000 1.249 593 I HN 0.686 nan 8.210 nan 0.000 0.429 594 N N 5.438 124.106 118.700 -0.054 0.000 2.489 594 N HA 0.451 5.191 4.740 -0.000 0.000 0.284 594 N C -0.526 175.000 175.510 0.027 0.000 1.158 594 N CA -0.612 52.433 53.050 -0.008 0.000 0.965 594 N CB 0.513 38.990 38.487 -0.016 0.000 1.195 594 N HN 0.595 nan 8.380 nan 0.000 0.506 595 N N -0.808 117.889 118.700 -0.005 0.000 2.758 595 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 595 N C -1.315 174.156 175.510 -0.065 0.000 1.076 595 N CA 0.684 53.717 53.050 -0.027 0.000 0.696 595 N CB -1.229 37.275 38.487 0.028 0.000 0.979 595 N HN 0.638 nan 8.380 nan 0.000 0.550 596 A N 0.331 123.090 122.820 -0.102 0.000 2.838 596 A HA 0.458 4.778 4.320 -0.000 0.000 0.337 596 A C 0.835 178.304 177.584 -0.191 0.000 1.383 596 A CA -0.182 51.677 52.037 -0.297 0.000 0.985 596 A CB 0.043 18.871 19.000 -0.286 0.000 1.157 596 A HN 0.273 nan 8.150 nan 0.000 0.497 597 T N 0.214 114.635 114.554 -0.222 0.000 2.913 597 T HA 0.579 4.929 4.350 -0.000 0.000 0.297 597 T C 0.369 175.115 174.700 0.077 0.000 1.029 597 T CA 0.265 62.359 62.100 -0.010 0.000 1.104 597 T CB 0.994 69.853 68.868 -0.015 0.000 0.964 597 T HN 0.842 nan 8.240 nan 0.000 0.532 598 T N -1.039 113.718 114.554 0.338 0.000 2.901 598 T HA 0.785 5.135 4.350 -0.000 0.000 0.293 598 T C -0.065 174.708 174.700 0.123 0.000 1.084 598 T CA -0.870 61.324 62.100 0.157 0.000 1.008 598 T CB 1.414 70.414 68.868 0.220 0.000 1.170 598 T HN 1.043 nan 8.240 nan 0.000 0.509 599 A N 0.903 123.755 122.820 0.054 0.000 2.257 599 A HA 0.700 5.020 4.320 -0.000 0.000 0.289 599 A C 0.095 177.698 177.584 0.031 0.000 1.095 599 A CA -0.791 51.266 52.037 0.034 0.000 0.836 599 A CB 0.024 19.035 19.000 0.019 0.000 1.111 599 A HN 1.045 nan 8.150 nan 0.000 0.497 600 L N 0.868 122.099 121.223 0.013 0.000 2.499 600 L HA 0.438 4.778 4.340 -0.000 0.000 0.273 600 L C 1.307 178.193 176.870 0.026 0.000 1.195 600 L CA 2.070 56.916 54.840 0.009 0.000 0.882 600 L CB 0.072 42.131 42.059 -0.000 0.000 1.133 600 L HN 1.613 nan 8.230 nan 0.000 0.483 601 G N 2.592 111.416 108.800 0.040 0.000 2.179 601 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 601 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 601 G C 0.293 175.237 174.900 0.073 0.000 0.977 601 G CA 0.470 45.603 45.100 0.055 0.000 0.641 601 G HN 0.822 nan 8.290 nan 0.000 0.533 602 Q N 0.215 120.060 119.800 0.074 0.000 2.271 602 Q HA 0.614 4.954 4.340 -0.000 0.000 0.258 602 Q C -0.228 175.825 176.000 0.088 0.000 0.936 602 Q CA -0.548 55.294 55.803 0.065 0.000 0.909 602 Q CB 0.525 29.277 28.738 0.023 0.000 1.253 602 Q HN 0.486 nan 8.270 nan 0.000 0.440 603 N N 0.893 119.632 118.700 0.066 0.000 2.405 603 N HA 0.497 5.237 4.740 -0.000 0.000 0.285 603 N C -1.641 173.642 175.510 -0.379 0.000 1.262 603 N CA -0.632 52.352 53.050 -0.111 0.000 0.773 603 N CB 2.170 40.650 38.487 -0.012 0.000 1.490 603 N HN 0.234 nan 8.380 nan 0.000 0.486 604 V N 1.714 121.022 119.914 -1.011 0.000 2.539 604 V HA 0.553 4.673 4.120 -0.000 0.000 0.292 604 V C -0.851 174.887 176.094 -0.592 0.000 1.045 604 V CA -0.131 61.733 62.300 -0.727 0.000 0.945 604 V CB 0.301 31.416 31.823 -1.180 0.000 0.993 604 V HN 0.492 nan 8.190 nan 0.000 0.464 605 F N 3.019 122.860 119.950 -0.182 0.000 2.640 605 F HA 0.664 5.190 4.527 -0.000 0.000 0.324 605 F C -0.331 175.419 175.800 -0.083 0.000 1.077 605 F CA -0.895 57.007 58.000 -0.164 0.000 0.965 605 F CB 1.732 40.617 39.000 -0.192 0.000 1.351 605 F HN 0.226 nan 8.300 nan 0.000 0.487 606 L N 1.304 122.529 121.223 0.002 0.000 2.386 606 L HA 0.739 5.079 4.340 -0.000 0.000 0.271 606 L C -1.139 175.603 176.870 -0.214 0.000 0.993 606 L CA 0.018 54.705 54.840 -0.256 0.000 0.819 606 L CB 1.856 43.635 42.059 -0.467 0.000 1.294 606 L HN 0.768 nan 8.230 nan 0.000 0.414 607 T N 2.517 116.952 114.554 -0.197 0.000 2.816 607 T HA 0.902 5.252 4.350 -0.000 0.000 0.299 607 T C -0.530 173.982 174.700 -0.314 0.000 1.230 607 T CA 0.194 62.198 62.100 -0.159 0.000 1.007 607 T CB 1.998 70.880 68.868 0.025 0.000 1.289 607 T HN 1.028 nan 8.240 nan 0.000 0.508 608 G N 1.153 109.571 108.800 -0.637 0.000 2.561 608 G HA2 0.329 4.289 3.960 -0.000 0.000 0.310 608 G HA3 0.329 4.289 3.960 -0.000 0.000 0.310 608 G C -0.370 173.674 174.900 -1.426 0.000 1.292 608 G CA -0.155 44.215 45.100 -1.217 0.000 0.811 608 G HN 0.730 nan 8.290 nan 0.000 0.482 609 N N -0.647 117.422 118.700 -1.052 0.000 2.370 609 N HA 0.083 4.823 4.740 -0.000 0.000 0.198 609 N C 0.447 175.822 175.510 -0.226 0.000 1.156 609 N CA 0.590 53.278 53.050 -0.604 0.000 0.839 609 N CB 0.222 38.687 38.487 -0.037 0.000 0.989 609 N HN 0.803 nan 8.380 nan 0.000 0.468 610 V N -3.176 116.615 119.914 -0.206 0.000 3.046 610 V HA 0.492 4.612 4.120 -0.000 0.000 0.316 610 V C 1.351 177.396 176.094 -0.081 0.000 1.104 610 V CA -0.465 61.785 62.300 -0.083 0.000 1.006 610 V CB 1.181 32.979 31.823 -0.041 0.000 1.058 610 V HN 0.074 nan 8.190 nan 0.000 0.440 611 S N -0.090 115.593 115.700 -0.027 0.000 2.419 611 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 611 S C 1.324 175.908 174.600 -0.026 0.000 1.016 611 S CA 1.421 59.610 58.200 -0.017 0.000 0.974 611 S CB -0.565 62.646 63.200 0.019 0.000 0.786 611 S HN 0.880 nan 8.310 nan 0.000 0.492 612 E N 0.813 120.999 120.200 -0.024 0.000 2.265 612 E HA 0.079 4.429 4.350 -0.000 0.000 0.196 612 E C 0.974 177.549 176.600 -0.042 0.000 0.996 612 E CA 0.493 56.882 56.400 -0.018 0.000 0.832 612 E CB -0.196 29.504 29.700 -0.001 0.000 0.756 612 E HN 0.325 nan 8.360 nan 0.000 0.491 613 L N -0.937 120.231 121.223 -0.092 0.000 2.741 613 L HA 0.337 4.677 4.340 -0.000 0.000 0.237 613 L C 1.136 177.927 176.870 -0.132 0.000 1.178 613 L CA 0.700 55.452 54.840 -0.147 0.000 0.973 613 L CB 0.098 42.015 42.059 -0.236 0.000 1.255 613 L HN 0.214 nan 8.230 nan 0.000 0.498 614 G N 0.045 108.798 108.800 -0.079 0.000 2.143 614 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.249 614 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.249 614 G C 0.701 175.584 174.900 -0.027 0.000 0.981 614 G CA 0.194 45.269 45.100 -0.041 0.000 0.665 614 G HN 0.459 nan 8.290 nan 0.000 0.528 615 N N -1.441 117.208 118.700 -0.086 0.000 2.699 615 N HA -0.239 4.501 4.740 -0.000 0.000 0.256 615 N C 0.912 176.502 175.510 0.134 0.000 0.993 615 N CA 1.367 54.383 53.050 -0.057 0.000 0.759 615 N CB -1.148 37.358 38.487 0.031 0.000 0.906 615 N HN 1.001 nan 8.380 nan 0.000 0.541 616 W N -3.178 118.178 121.300 0.092 0.000 2.869 616 W HA -0.268 4.392 4.660 -0.000 0.000 0.285 616 W C 0.314 176.951 176.519 0.197 0.000 1.098 616 W CA 0.216 57.659 57.345 0.164 0.000 0.571 616 W CB -1.167 28.354 29.460 0.101 0.000 2.131 616 W HN 0.336 nan 8.180 nan 0.000 1.367 617 D N -0.043 120.526 120.400 0.283 0.000 2.359 617 D HA 0.214 4.854 4.640 -0.000 0.000 0.230 617 D C -1.044 175.319 176.300 0.105 0.000 1.118 617 D CA -2.199 51.915 54.000 0.189 0.000 0.844 617 D CB 1.363 42.224 40.800 0.103 0.000 1.059 617 D HN -0.215 nan 8.370 nan 0.000 0.493 618 P HA -0.106 nan 4.420 nan 0.000 0.217 618 P C 0.890 178.084 177.300 -0.177 0.000 1.148 618 P CA 0.810 63.838 63.100 -0.120 0.000 0.828 618 P CB 0.320 31.939 31.700 -0.133 0.000 0.783 619 N N -1.165 117.481 118.700 -0.090 0.000 2.396 619 N HA -0.039 4.701 4.740 -0.000 0.000 0.180 619 N C 0.695 176.163 175.510 -0.069 0.000 1.028 619 N CA 0.825 53.819 53.050 -0.093 0.000 0.893 619 N CB -0.363 38.098 38.487 -0.044 0.000 0.967 619 N HN 0.186 nan 8.380 nan 0.000 0.440 620 N N 0.428 119.103 118.700 -0.042 0.000 2.275 620 N HA 0.156 4.896 4.740 -0.000 0.000 0.236 620 N C -0.292 175.207 175.510 -0.018 0.000 1.154 620 N CA -0.113 52.927 53.050 -0.018 0.000 0.866 620 N CB 0.848 39.334 38.487 -0.001 0.000 1.093 620 N HN 0.082 nan 8.380 nan 0.000 0.515 621 A N 0.709 123.497 122.820 -0.054 0.000 2.366 621 A HA 0.339 4.659 4.320 -0.000 0.000 0.249 621 A C 0.403 178.046 177.584 0.097 0.000 1.084 621 A CA -0.171 51.853 52.037 -0.021 0.000 0.794 621 A CB 0.423 19.366 19.000 -0.095 0.000 1.034 621 A HN 0.084 nan 8.150 nan 0.000 0.491 622 I N 1.506 122.108 120.570 0.054 0.000 2.416 622 I HA 0.528 4.698 4.170 -0.000 0.000 0.288 622 I C 1.016 177.076 176.117 -0.095 0.000 1.051 622 I CA 1.311 62.619 61.300 0.014 0.000 1.375 622 I CB -0.517 37.450 38.000 -0.055 0.000 1.407 622 I HN 1.024 nan 8.210 nan 0.000 0.516 623 G N 8.097 116.748 108.800 -0.248 0.000 2.320 623 G HA2 0.091 4.051 3.960 -0.000 0.000 0.274 623 G HA3 0.091 4.051 3.960 -0.000 0.000 0.274 623 G C -3.200 171.416 174.900 -0.473 0.000 1.324 623 G CA -0.954 43.671 45.100 -0.792 0.000 0.957 623 G HN 0.365 nan 8.290 nan 0.000 0.481 624 P HA 0.367 nan 4.420 nan 0.000 0.265 624 P C 0.473 177.302 177.300 -0.786 0.000 1.193 624 P CA 0.132 62.634 63.100 -0.996 0.000 0.765 624 P CB 0.298 31.739 31.700 -0.430 0.000 0.823 625 M N 1.927 121.121 119.600 -0.677 0.000 2.207 625 M HA 0.135 4.615 4.480 -0.000 0.000 0.311 625 M C 0.140 176.477 176.300 0.062 0.000 1.127 625 M CA 0.427 55.474 55.300 -0.422 0.000 1.181 625 M CB 0.053 32.617 32.600 -0.060 0.000 1.409 625 M HN 0.280 nan 8.290 nan 0.000 0.461 626 Y N 1.177 121.437 120.300 -0.066 0.000 2.374 626 Y HA 0.267 4.816 4.550 -0.000 0.000 0.322 626 Y C 0.636 176.312 175.900 -0.375 0.000 1.275 626 Y CA -1.362 56.547 58.100 -0.318 0.000 1.307 626 Y CB 0.551 38.602 38.460 -0.682 0.000 1.282 626 Y HN 0.710 nan 8.280 nan 0.000 0.509 627 N N -1.348 117.266 118.700 -0.144 0.000 2.393 627 N HA 0.058 4.798 4.740 -0.000 0.000 0.256 627 N C -0.325 175.151 175.510 -0.056 0.000 1.449 627 N CA -0.095 52.843 53.050 -0.187 0.000 0.887 627 N CB 0.099 38.030 38.487 -0.927 0.000 1.374 627 N HN 0.482 nan 8.380 nan 0.000 0.503 628 Q N -0.478 119.359 119.800 0.061 0.000 2.563 628 Q HA 0.329 4.669 4.340 -0.000 0.000 0.236 628 Q C 1.289 177.254 176.000 -0.059 0.000 0.792 628 Q CA 0.748 56.536 55.803 -0.025 0.000 0.960 628 Q CB 0.835 29.523 28.738 -0.084 0.000 1.304 628 Q HN 0.173 nan 8.270 nan 0.000 0.566 629 V N 0.346 120.204 119.914 -0.093 0.000 2.391 629 V HA -0.038 4.081 4.120 -0.000 0.000 0.237 629 V C 2.262 177.982 176.094 -0.624 0.000 1.046 629 V CA 1.132 63.239 62.300 -0.321 0.000 1.053 629 V CB -0.447 31.158 31.823 -0.362 0.000 0.704 629 V HN -0.011 nan 8.190 nan 0.000 0.475 630 V N -1.584 117.759 119.914 -0.953 0.000 2.453 630 V HA -0.047 4.073 4.120 -0.000 0.000 0.247 630 V C 0.566 176.007 176.094 -1.089 0.000 1.048 630 V CA 1.398 62.938 62.300 -1.267 0.000 1.049 630 V CB -0.507 30.300 31.823 -1.694 0.000 0.672 630 V HN 0.503 nan 8.190 nan 0.000 0.457 631 Y N -1.513 118.428 120.300 -0.599 0.000 2.553 631 Y HA 0.680 5.230 4.550 -0.000 0.000 0.347 631 Y C -0.323 175.537 175.900 -0.066 0.000 1.019 631 Y CA -1.288 56.671 58.100 -0.235 0.000 1.032 631 Y CB 1.709 40.087 38.460 -0.137 0.000 1.284 631 Y HN -0.026 nan 8.280 nan 0.000 0.466 632 Q N 0.598 120.461 119.800 0.105 0.000 2.345 632 Q HA 0.323 4.663 4.340 -0.000 0.000 0.268 632 Q C -1.370 174.640 176.000 0.017 0.000 1.054 632 Q CA -1.052 54.777 55.803 0.043 0.000 0.835 632 Q CB 1.503 30.252 28.738 0.019 0.000 1.339 632 Q HN 0.580 nan 8.270 nan 0.000 0.447 633 Y N 4.109 124.294 120.300 -0.192 0.000 2.987 633 Y HA -0.052 4.498 4.550 -0.000 0.000 0.339 633 Y C -1.197 174.658 175.900 -0.075 0.000 1.272 633 Y CA -0.420 57.531 58.100 -0.248 0.000 1.562 633 Y CB 0.679 38.954 38.460 -0.309 0.000 1.253 633 Y HN 0.567 nan 8.280 nan 0.000 0.604 634 P HA 0.037 nan 4.420 nan 0.000 0.255 634 P C -0.679 176.509 177.300 -0.187 0.000 1.427 634 P CA 0.158 62.733 63.100 -0.875 0.000 0.863 634 P CB -0.112 31.119 31.700 -0.781 0.000 1.444 635 T N 0.776 115.270 114.554 -0.100 0.000 2.806 635 T HA 0.299 4.649 4.350 -0.000 0.000 0.290 635 T C -0.648 174.114 174.700 0.105 0.000 0.966 635 T CA 0.052 62.185 62.100 0.056 0.000 1.060 635 T CB 0.622 69.512 68.868 0.037 0.000 0.927 635 T HN 0.036 nan 8.240 nan 0.000 0.485 636 W N 3.129 124.444 121.300 0.024 0.000 2.689 636 W HA 0.628 5.288 4.660 -0.000 0.000 0.340 636 W C -0.643 175.976 176.519 0.166 0.000 1.060 636 W CA -0.976 56.431 57.345 0.104 0.000 1.218 636 W CB 0.901 30.369 29.460 0.013 0.000 1.410 636 W HN 0.697 nan 8.180 nan 0.000 0.528 637 Y N -0.230 120.258 120.300 0.313 0.000 2.588 637 Y HA 0.809 5.359 4.550 -0.000 0.000 0.343 637 Y C -1.925 174.232 175.900 0.428 0.000 1.065 637 Y CA -2.778 55.489 58.100 0.279 0.000 1.038 637 Y CB 1.640 40.252 38.460 0.254 0.000 1.297 637 Y HN 0.538 nan 8.280 nan 0.000 0.467 638 Y N 0.631 121.086 120.300 0.258 0.000 2.521 638 Y HA 0.308 4.857 4.550 -0.000 0.000 0.328 638 Y C -1.708 174.370 175.900 0.297 0.000 1.151 638 Y CA -1.112 57.058 58.100 0.118 0.000 1.054 638 Y CB 1.806 40.248 38.460 -0.028 0.000 1.338 638 Y HN 0.764 nan 8.280 nan 0.000 0.453 639 D N 4.186 124.574 120.400 -0.019 0.000 2.317 639 D HA 0.470 5.110 4.640 -0.000 0.000 0.234 639 D C -1.073 175.287 176.300 0.100 0.000 1.112 639 D CA 0.105 54.187 54.000 0.136 0.000 0.840 639 D CB 1.954 42.865 40.800 0.186 0.000 1.078 639 D HN 0.176 nan 8.370 nan 0.000 0.486 640 V N 1.454 121.529 119.914 0.268 0.000 2.588 640 V HA 0.264 4.384 4.120 -0.000 0.000 0.304 640 V C 0.337 176.569 176.094 0.230 0.000 1.042 640 V CA -0.885 61.574 62.300 0.265 0.000 0.877 640 V CB 2.065 34.085 31.823 0.329 0.000 0.996 640 V HN 0.449 nan 8.190 nan 0.000 0.425 641 S N 3.229 119.025 115.700 0.159 0.000 2.528 641 S HA 0.620 5.090 4.470 -0.000 0.000 0.277 641 S C -0.598 174.065 174.600 0.106 0.000 1.297 641 S CA -0.128 58.140 58.200 0.114 0.000 1.052 641 S CB 0.793 64.031 63.200 0.063 0.000 0.917 641 S HN 0.614 nan 8.310 nan 0.000 0.492 642 V N 7.006 126.984 119.914 0.106 0.000 3.049 642 V HA 0.602 4.722 4.120 -0.000 0.000 0.309 642 V C -2.357 173.780 176.094 0.071 0.000 1.148 642 V CA -2.076 60.284 62.300 0.100 0.000 0.990 642 V CB 2.779 34.709 31.823 0.178 0.000 1.039 642 V HN 0.788 nan 8.190 nan 0.000 0.430 643 P HA 0.206 nan 4.420 nan 0.000 0.268 643 P C -0.744 176.578 177.300 0.037 0.000 1.204 643 P CA 0.083 63.204 63.100 0.035 0.000 0.768 643 P CB 0.877 32.593 31.700 0.027 0.000 0.842 644 A N 2.894 125.731 122.820 0.027 0.000 2.388 644 A HA 0.515 4.835 4.320 -0.000 0.000 0.257 644 A C 1.339 178.926 177.584 0.004 0.000 1.095 644 A CA 0.318 52.367 52.037 0.020 0.000 0.791 644 A CB -0.919 18.092 19.000 0.019 0.000 1.029 644 A HN 0.843 nan 8.150 nan 0.000 0.489 645 G N 0.895 109.688 108.800 -0.012 0.000 2.198 645 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.257 645 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.257 645 G C -0.104 174.778 174.900 -0.030 0.000 1.042 645 G CA 0.680 45.765 45.100 -0.026 0.000 0.791 645 G HN 1.709 nan 8.290 nan 0.000 0.502 646 Q N -1.747 118.032 119.800 -0.035 0.000 2.565 646 Q HA 0.716 5.056 4.340 -0.000 0.000 0.294 646 Q C -0.853 175.130 176.000 -0.027 0.000 1.005 646 Q CA -0.870 54.921 55.803 -0.021 0.000 0.771 646 Q CB 0.918 29.659 28.738 0.006 0.000 1.486 646 Q HN 0.121 nan 8.270 nan 0.000 0.422 647 T N 2.557 117.112 114.554 0.002 0.000 2.728 647 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 647 T C 0.224 174.982 174.700 0.097 0.000 0.940 647 T CA -0.555 61.566 62.100 0.035 0.000 1.013 647 T CB -0.236 68.656 68.868 0.041 0.000 0.912 647 T HN 0.478 nan 8.240 nan 0.000 0.484 648 I N 0.249 120.917 120.570 0.163 0.000 2.676 648 I HA 0.691 4.861 4.170 -0.000 0.000 0.309 648 I C -0.146 176.166 176.117 0.325 0.000 0.990 648 I CA -0.954 60.463 61.300 0.195 0.000 1.168 648 I CB 1.508 39.610 38.000 0.170 0.000 1.343 648 I HN 0.389 nan 8.210 nan 0.000 0.482 649 E N 3.637 124.002 120.200 0.274 0.000 2.212 649 E HA 0.652 5.001 4.350 -0.000 0.000 0.268 649 E C -1.496 175.264 176.600 0.267 0.000 0.902 649 E CA -0.600 56.001 56.400 0.334 0.000 0.779 649 E CB 2.505 32.429 29.700 0.373 0.000 1.172 649 E HN 0.606 nan 8.360 nan 0.000 0.409 650 F N -0.523 119.481 119.950 0.091 0.000 2.741 650 F HA 0.675 5.202 4.527 -0.000 0.000 0.313 650 F C -1.323 174.576 175.800 0.165 0.000 1.153 650 F CA -1.091 56.861 58.000 -0.079 0.000 0.931 650 F CB 1.607 40.471 39.000 -0.226 0.000 1.335 650 F HN 0.092 nan 8.300 nan 0.000 0.460 651 K N 0.847 121.346 120.400 0.164 0.000 2.551 651 K HA 0.518 4.838 4.320 -0.000 0.000 0.269 651 K C -2.037 174.558 176.600 -0.008 0.000 0.949 651 K CA -0.706 55.661 56.287 0.133 0.000 0.849 651 K CB 2.919 35.678 32.500 0.432 0.000 1.411 651 K HN 0.587 nan 8.250 nan 0.000 0.432 652 F N 2.007 122.019 119.950 0.102 0.000 2.408 652 F HA 0.604 5.131 4.527 -0.000 0.000 0.325 652 F C 0.316 176.150 175.800 0.057 0.000 1.082 652 F CA -0.821 57.235 58.000 0.095 0.000 1.032 652 F CB 1.016 40.106 39.000 0.150 0.000 1.259 652 F HN 0.269 nan 8.300 nan 0.000 0.503 653 L N -0.976 120.412 121.223 0.274 0.000 2.540 653 L HA 0.694 5.034 4.340 -0.000 0.000 0.256 653 L C -1.694 175.282 176.870 0.177 0.000 1.001 653 L CA -1.251 53.657 54.840 0.114 0.000 0.843 653 L CB 2.326 44.076 42.059 -0.514 0.000 1.436 653 L HN 0.450 nan 8.230 nan 0.000 0.410 654 K N 1.363 121.824 120.400 0.101 0.000 2.164 654 K HA 0.655 4.975 4.320 -0.000 0.000 0.258 654 K C -1.179 175.396 176.600 -0.041 0.000 0.951 654 K CA -0.769 55.505 56.287 -0.021 0.000 0.844 654 K CB 2.279 34.687 32.500 -0.153 0.000 1.099 654 K HN 0.492 nan 8.250 nan 0.000 0.435 655 K N 1.882 122.291 120.400 0.015 0.000 2.427 655 K HA 0.207 4.527 4.320 -0.000 0.000 0.252 655 K C -1.465 175.141 176.600 0.010 0.000 0.931 655 K CA -0.653 55.581 56.287 -0.089 0.000 0.793 655 K CB 2.174 34.444 32.500 -0.383 0.000 1.211 655 K HN 0.456 nan 8.250 nan 0.000 0.426 656 Q N 2.331 122.119 119.800 -0.020 0.000 2.350 656 Q HA 0.337 4.677 4.340 -0.000 0.000 0.255 656 Q C 0.135 176.130 176.000 -0.010 0.000 0.951 656 Q CA 0.056 55.865 55.803 0.009 0.000 0.751 656 Q CB 1.355 30.099 28.738 0.010 0.000 1.296 656 Q HN 0.845 nan 8.270 nan 0.000 0.453 657 G N 2.315 111.112 108.800 -0.006 0.000 2.602 657 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.310 657 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.310 657 G C 0.538 175.415 174.900 -0.037 0.000 1.183 657 G CA 0.554 45.646 45.100 -0.013 0.000 0.979 657 G HN 0.671 nan 8.290 nan 0.000 0.545 658 S N 0.657 116.341 115.700 -0.028 0.000 2.548 658 S HA 0.325 4.795 4.470 -0.000 0.000 0.215 658 S C 0.766 175.345 174.600 -0.034 0.000 0.976 658 S CA 1.221 59.401 58.200 -0.032 0.000 0.908 658 S CB 0.413 63.604 63.200 -0.015 0.000 0.781 658 S HN 0.829 nan 8.310 nan 0.000 0.519 659 T N 2.686 117.220 114.554 -0.033 0.000 2.767 659 T HA 0.480 4.830 4.350 -0.000 0.000 0.288 659 T C -0.311 174.357 174.700 -0.053 0.000 0.963 659 T CA -0.310 61.776 62.100 -0.022 0.000 1.019 659 T CB 1.612 70.477 68.868 -0.005 0.000 0.923 659 T HN -0.101 nan 8.240 nan 0.000 0.468 660 V N 4.064 123.949 119.914 -0.048 0.000 2.435 660 V HA 0.440 4.560 4.120 -0.000 0.000 0.290 660 V C 0.269 176.339 176.094 -0.039 0.000 1.030 660 V CA -0.644 61.583 62.300 -0.122 0.000 0.881 660 V CB 1.795 33.518 31.823 -0.167 0.000 0.983 660 V HN 0.970 nan 8.190 nan 0.000 0.445 661 T N 4.494 119.027 114.554 -0.035 0.000 2.809 661 T HA 0.375 4.725 4.350 -0.000 0.000 0.296 661 T C -0.659 174.150 174.700 0.182 0.000 1.015 661 T CA -0.281 61.894 62.100 0.124 0.000 0.954 661 T CB 0.346 69.297 68.868 0.138 0.000 0.950 661 T HN 0.540 nan 8.240 nan 0.000 0.450 662 W N 2.072 123.468 121.300 0.160 0.000 2.251 662 W HA 0.339 4.999 4.660 -0.000 0.000 0.329 662 W C 0.855 177.389 176.519 0.025 0.000 1.234 662 W CA -0.892 56.515 57.345 0.103 0.000 1.228 662 W CB 0.357 29.825 29.460 0.013 0.000 1.135 662 W HN 0.559 nan 8.180 nan 0.000 0.576 663 E N 1.010 121.189 120.200 -0.034 0.000 2.442 663 E HA 0.158 4.508 4.350 -0.000 0.000 0.262 663 E C 0.704 177.208 176.600 -0.161 0.000 1.004 663 E CA 0.116 56.192 56.400 -0.540 0.000 0.928 663 E CB 0.561 29.852 29.700 -0.681 0.000 0.937 663 E HN 0.617 nan 8.360 nan 0.000 0.446 664 G N 1.073 109.771 108.800 -0.169 0.000 2.525 664 G HA2 0.520 4.480 3.960 -0.000 0.000 0.287 664 G HA3 0.520 4.480 3.960 -0.000 0.000 0.287 664 G C 0.325 175.157 174.900 -0.114 0.000 1.350 664 G CA 0.006 45.055 45.100 -0.085 0.000 1.039 664 G HN 0.775 nan 8.290 nan 0.000 0.513 665 G N -1.593 107.155 108.800 -0.086 0.000 2.698 665 G HA2 0.356 4.316 3.960 -0.000 0.000 0.233 665 G HA3 0.356 4.316 3.960 -0.000 0.000 0.233 665 G C 0.395 175.239 174.900 -0.093 0.000 1.352 665 G CA 0.152 45.203 45.100 -0.082 0.000 0.879 665 G HN 1.992 nan 8.290 nan 0.000 0.567 666 A N -0.173 122.599 122.820 -0.080 0.000 2.332 666 A HA 0.611 4.931 4.320 -0.000 0.000 0.258 666 A C 0.742 178.273 177.584 -0.088 0.000 1.087 666 A CA 0.181 52.169 52.037 -0.081 0.000 0.802 666 A CB 0.136 19.102 19.000 -0.056 0.000 1.042 666 A HN 1.001 nan 8.150 nan 0.000 0.489 667 N N 0.915 119.566 118.700 -0.080 0.000 2.454 667 N HA 0.100 4.840 4.740 -0.000 0.000 0.254 667 N C 0.059 175.511 175.510 -0.097 0.000 1.228 667 N CA 0.420 53.442 53.050 -0.047 0.000 0.900 667 N CB 0.303 38.815 38.487 0.041 0.000 1.089 667 N HN 0.553 nan 8.380 nan 0.000 0.449 668 R N 0.207 120.546 120.500 -0.269 0.000 2.531 668 R HA 0.422 4.762 4.340 -0.000 0.000 0.273 668 R C 0.252 176.369 176.300 -0.306 0.000 1.070 668 R CA -0.448 55.386 56.100 -0.442 0.000 1.112 668 R CB 0.433 30.127 30.300 -1.010 0.000 1.049 668 R HN 0.590 nan 8.270 nan 0.000 0.508 669 T N -1.297 113.269 114.554 0.020 0.000 2.916 669 T HA 0.695 5.045 4.350 -0.000 0.000 0.292 669 T C -0.937 174.106 174.700 0.570 0.000 1.055 669 T CA -0.800 61.472 62.100 0.285 0.000 1.009 669 T CB 1.576 70.550 68.868 0.178 0.000 1.118 669 T HN 0.489 nan 8.240 nan 0.000 0.497 670 F N 0.473 120.651 119.950 0.380 0.000 2.635 670 F HA 0.531 5.058 4.527 -0.000 0.000 0.314 670 F C -1.182 174.711 175.800 0.155 0.000 1.119 670 F CA -0.569 57.595 58.000 0.273 0.000 1.000 670 F CB 1.879 41.054 39.000 0.291 0.000 1.278 670 F HN 0.746 nan 8.300 nan 0.000 0.446 671 T N 3.986 118.136 114.554 -0.673 0.000 2.733 671 T HA 0.422 4.771 4.350 -0.000 0.000 0.294 671 T C 0.033 174.183 174.700 -0.916 0.000 0.956 671 T CA -0.333 61.432 62.100 -0.559 0.000 0.987 671 T CB 0.569 69.247 68.868 -0.317 0.000 0.920 671 T HN 0.722 nan 8.240 nan 0.000 0.470 672 T N 2.838 117.110 114.554 -0.470 0.000 2.899 672 T HA 0.385 4.735 4.350 -0.000 0.000 0.295 672 T C -2.323 172.279 174.700 -0.162 0.000 1.033 672 T CA -1.744 60.195 62.100 -0.268 0.000 1.084 672 T CB 0.385 69.245 68.868 -0.013 0.000 0.979 672 T HN 0.254 nan 8.240 nan 0.000 0.532 673 P HA 0.128 nan 4.420 nan 0.000 0.269 673 P C 0.394 177.693 177.300 -0.001 0.000 1.215 673 P CA -0.259 62.832 63.100 -0.015 0.000 0.780 673 P CB 0.219 31.942 31.700 0.038 0.000 0.898 674 T N -1.400 113.154 114.554 0.000 0.000 2.868 674 T HA 0.143 4.493 4.350 -0.000 0.000 0.292 674 T C 0.395 175.108 174.700 0.022 0.000 1.028 674 T CA -0.645 61.459 62.100 0.007 0.000 1.059 674 T CB -0.415 68.455 68.868 0.003 0.000 0.991 674 T HN 0.293 nan 8.240 nan 0.000 0.531 675 S N 1.757 117.472 115.700 0.025 0.000 3.225 675 S HA 0.423 4.893 4.470 -0.000 0.000 0.378 675 S C 0.812 175.444 174.600 0.053 0.000 1.190 675 S CA 0.263 58.486 58.200 0.039 0.000 1.104 675 S CB -0.990 62.225 63.200 0.025 0.000 0.795 675 S HN 1.196 nan 8.310 nan 0.000 0.517 676 G N 2.317 111.162 108.800 0.075 0.000 2.428 676 G HA2 0.537 4.497 3.960 -0.000 0.000 0.305 676 G HA3 0.537 4.497 3.960 -0.000 0.000 0.305 676 G C -1.066 173.905 174.900 0.118 0.000 1.260 676 G CA -0.541 44.614 45.100 0.093 0.000 0.853 676 G HN 0.530 nan 8.290 nan 0.000 0.480 677 T N -0.600 114.027 114.554 0.122 0.000 2.942 677 T HA 0.838 5.188 4.350 -0.000 0.000 0.289 677 T C -0.402 174.368 174.700 0.116 0.000 1.044 677 T CA 0.540 62.722 62.100 0.135 0.000 1.023 677 T CB 1.463 70.421 68.868 0.149 0.000 1.123 677 T HN 1.729 nan 8.240 nan 0.000 0.512 678 A N 1.076 123.960 122.820 0.106 0.000 2.612 678 A HA 0.729 5.049 4.320 -0.000 0.000 0.293 678 A C -0.915 176.662 177.584 -0.012 0.000 1.075 678 A CA -0.717 51.377 52.037 0.096 0.000 0.680 678 A CB 1.606 20.741 19.000 0.224 0.000 1.279 678 A HN 0.659 nan 8.150 nan 0.000 0.411 679 T N 0.834 115.359 114.554 -0.049 0.000 2.824 679 T HA 0.575 4.925 4.350 -0.000 0.000 0.282 679 T C -0.883 173.648 174.700 -0.281 0.000 0.993 679 T CA -0.381 61.636 62.100 -0.138 0.000 0.967 679 T CB 1.460 70.320 68.868 -0.013 0.000 0.960 679 T HN 0.627 nan 8.240 nan 0.000 0.441 680 V N 4.255 123.906 119.914 -0.438 0.000 2.370 680 V HA 0.519 4.639 4.120 -0.000 0.000 0.283 680 V C -0.195 175.819 176.094 -0.132 0.000 1.023 680 V CA -0.809 61.232 62.300 -0.432 0.000 0.857 680 V CB 1.466 32.873 31.823 -0.695 0.000 0.985 680 V HN 0.775 nan 8.190 nan 0.000 0.443 681 N N 4.437 123.105 118.700 -0.052 0.000 2.491 681 N HA 0.619 5.359 4.740 -0.000 0.000 0.274 681 N C -0.906 174.615 175.510 0.018 0.000 1.023 681 N CA -0.129 52.903 53.050 -0.030 0.000 0.902 681 N CB 2.052 40.519 38.487 -0.034 0.000 1.267 681 N HN 0.544 nan 8.380 nan 0.000 0.503 682 V N 0.934 120.861 119.914 0.022 0.000 3.156 682 V HA 0.739 4.859 4.120 -0.000 0.000 0.310 682 V C -0.799 175.288 176.094 -0.011 0.000 1.234 682 V CA -1.011 61.315 62.300 0.044 0.000 1.065 682 V CB 2.222 34.134 31.823 0.148 0.000 1.088 682 V HN 0.494 nan 8.190 nan 0.000 0.451 683 N N 0.691 119.395 118.700 0.007 0.000 2.258 683 N HA 0.242 4.982 4.740 -0.000 0.000 0.299 683 N C -1.062 174.479 175.510 0.051 0.000 1.047 683 N CA -0.258 52.808 53.050 0.026 0.000 0.814 683 N CB 2.327 40.837 38.487 0.039 0.000 1.413 683 N HN 1.043 nan 8.380 nan 0.000 0.478 684 W N 2.771 124.021 121.300 -0.084 0.000 2.385 684 W HA -0.029 4.630 4.660 -0.000 0.000 0.336 684 W C -0.590 175.927 176.519 -0.002 0.000 1.351 684 W CA 0.481 57.793 57.345 -0.054 0.000 1.295 684 W CB 0.287 29.706 29.460 -0.068 0.000 1.239 684 W HN 0.429 nan 8.180 nan 0.000 0.565 685 Q N 8.664 128.174 119.800 -0.484 0.000 2.349 685 Q HA 0.190 4.530 4.340 -0.000 0.000 0.254 685 Q C -1.667 174.081 176.000 -0.421 0.000 0.980 685 Q CA -1.673 53.942 55.803 -0.313 0.000 0.924 685 Q CB 1.206 29.791 28.738 -0.255 0.000 1.209 685 Q HN 0.227 nan 8.270 nan 0.000 0.445 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.182 63.100 0.136 0.000 0.800 686 P CB 0.000 31.832 31.700 0.220 0.000 0.726