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 1pam_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 TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL 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 0.000 177.564 177.584 -0.034 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 1 A CB 0.000 18.970 19.000 -0.049 0.000 0.831 2 P HA 0.199 nan 4.420 nan 0.000 0.274 2 P C -0.026 177.243 177.300 -0.051 0.000 1.246 2 P CA 0.258 63.334 63.100 -0.040 0.000 0.795 2 P CB 0.550 32.224 31.700 -0.043 0.000 1.006 3 D N -0.042 120.334 120.400 -0.041 0.000 2.182 3 D HA -0.156 4.483 4.640 -0.001 0.000 0.201 3 D C 1.125 177.382 176.300 -0.073 0.000 0.986 3 D CA 1.973 55.952 54.000 -0.035 0.000 0.847 3 D CB -1.441 39.374 40.800 0.024 0.000 0.942 3 D HN 0.449 nan 8.370 nan 0.000 0.467 4 T N -2.679 111.822 114.554 -0.088 0.000 3.148 4 T HA 0.058 4.407 4.350 -0.001 0.000 0.253 4 T C 1.046 175.663 174.700 -0.139 0.000 1.134 4 T CA -0.091 61.934 62.100 -0.126 0.000 1.051 4 T CB -0.210 68.590 68.868 -0.113 0.000 0.959 4 T HN 0.130 nan 8.240 nan 0.000 0.525 5 S N 0.495 116.121 115.700 -0.124 0.000 2.568 5 S HA 0.137 4.607 4.470 -0.001 0.000 0.282 5 S C 1.461 175.956 174.600 -0.176 0.000 1.338 5 S CA -0.331 57.792 58.200 -0.130 0.000 1.045 5 S CB 1.090 64.225 63.200 -0.108 0.000 0.873 5 S HN 0.230 nan 8.310 nan 0.000 0.516 6 V N 4.341 124.149 119.914 -0.177 0.000 2.720 6 V HA -0.071 4.048 4.120 -0.001 0.000 0.256 6 V C 2.103 178.043 176.094 -0.257 0.000 1.082 6 V CA 2.443 64.610 62.300 -0.221 0.000 1.101 6 V CB -0.760 30.952 31.823 -0.186 0.000 0.693 6 V HN 1.018 nan 8.190 nan 0.000 0.479 7 S N -0.739 114.836 115.700 -0.209 0.000 2.607 7 S HA -0.033 4.437 4.470 -0.001 0.000 0.224 7 S C 1.006 175.519 174.600 -0.144 0.000 0.969 7 S CA 0.476 58.563 58.200 -0.188 0.000 0.927 7 S CB -1.009 62.107 63.200 -0.140 0.000 0.772 7 S HN 0.783 nan 8.310 nan 0.000 0.533 8 N N 1.413 120.016 118.700 -0.162 0.000 2.605 8 N HA 0.164 4.904 4.740 -0.001 0.000 0.258 8 N C 0.651 176.089 175.510 -0.119 0.000 1.156 8 N CA -0.340 52.633 53.050 -0.128 0.000 1.008 8 N CB 0.183 38.582 38.487 -0.146 0.000 1.354 8 N HN 0.296 nan 8.380 nan 0.000 0.509 9 K N 1.488 121.885 120.400 -0.006 0.000 2.366 9 K HA -0.072 4.247 4.320 -0.001 0.000 0.198 9 K C 1.245 178.025 176.600 0.300 0.000 1.044 9 K CA 0.764 57.150 56.287 0.165 0.000 0.973 9 K CB 0.301 32.883 32.500 0.136 0.000 0.767 9 K HN 0.501 nan 8.250 nan 0.000 0.475 10 Q N 0.231 120.134 119.800 0.171 0.000 2.212 10 Q HA 0.075 4.415 4.340 -0.001 0.000 0.199 10 Q C -0.129 176.017 176.000 0.242 0.000 0.950 10 Q CA 0.791 56.715 55.803 0.201 0.000 0.863 10 Q CB 0.393 29.194 28.738 0.104 0.000 0.944 10 Q HN 0.144 nan 8.270 nan 0.000 0.465 11 N N -0.831 117.958 118.700 0.148 0.000 2.249 11 N HA 0.237 4.976 4.740 -0.001 0.000 0.296 11 N C -1.098 174.384 175.510 -0.047 0.000 1.051 11 N CA -0.341 52.730 53.050 0.036 0.000 0.815 11 N CB 1.262 39.755 38.487 0.008 0.000 1.487 11 N HN -0.039 nan 8.380 nan 0.000 0.475 12 F N 0.281 119.851 119.950 -0.633 0.000 2.683 12 F HA 0.203 4.729 4.527 -0.001 0.000 0.306 12 F C 1.756 177.281 175.800 -0.459 0.000 1.102 12 F CA -0.226 57.416 58.000 -0.597 0.000 1.244 12 F CB 0.231 38.672 39.000 -0.931 0.000 1.029 12 F HN 0.329 nan 8.300 nan 0.000 0.545 13 S N -0.851 114.703 115.700 -0.245 0.000 2.447 13 S HA -0.157 4.313 4.470 -0.001 0.000 0.233 13 S C 2.097 176.483 174.600 -0.357 0.000 1.006 13 S CA 1.644 59.675 58.200 -0.283 0.000 0.957 13 S CB -0.627 62.406 63.200 -0.279 0.000 0.773 13 S HN 0.520 nan 8.310 nan 0.000 0.507 14 T N -0.494 113.847 114.554 -0.354 0.000 3.129 14 T HA 0.135 4.485 4.350 -0.001 0.000 0.251 14 T C 0.046 174.593 174.700 -0.255 0.000 1.117 14 T CA -0.156 61.740 62.100 -0.341 0.000 1.034 14 T CB -0.076 68.608 68.868 -0.307 0.000 0.968 14 T HN 0.096 nan 8.240 nan 0.000 0.526 15 D N 0.811 121.073 120.400 -0.228 0.000 2.272 15 D HA 0.527 5.166 4.640 -0.001 0.000 0.247 15 D C -0.872 175.373 176.300 -0.092 0.000 0.990 15 D CA -0.472 53.428 54.000 -0.166 0.000 0.931 15 D CB 2.623 43.314 40.800 -0.181 0.000 1.195 15 D HN 0.024 nan 8.370 nan 0.000 0.477 16 V N 2.058 121.947 119.914 -0.043 0.000 2.444 16 V HA 0.347 4.466 4.120 -0.001 0.000 0.294 16 V C 0.233 176.386 176.094 0.098 0.000 1.022 16 V CA -0.704 61.600 62.300 0.007 0.000 0.850 16 V CB 1.547 33.358 31.823 -0.019 0.000 0.992 16 V HN 0.368 nan 8.190 nan 0.000 0.426 17 I N 4.748 125.417 120.570 0.165 0.000 2.365 17 I HA 0.317 4.487 4.170 -0.001 0.000 0.291 17 I C -0.849 175.469 176.117 0.335 0.000 1.004 17 I CA -0.459 61.011 61.300 0.283 0.000 1.311 17 I CB 0.897 39.099 38.000 0.337 0.000 1.401 17 I HN 0.599 nan 8.210 nan 0.000 0.491 18 Y N 6.419 126.834 120.300 0.191 0.000 2.334 18 Y HA 0.260 4.810 4.550 -0.001 0.000 0.336 18 Y C -0.042 175.961 175.900 0.173 0.000 0.960 18 Y CA -0.529 57.663 58.100 0.154 0.000 1.164 18 Y CB 1.012 39.521 38.460 0.082 0.000 1.155 18 Y HN 0.498 nan 8.280 nan 0.000 0.478 19 Q N 7.071 126.809 119.800 -0.102 0.000 2.314 19 Q HA 0.448 4.788 4.340 -0.001 0.000 0.257 19 Q C -1.375 174.462 176.000 -0.271 0.000 0.975 19 Q CA -0.298 55.381 55.803 -0.206 0.000 0.933 19 Q CB 0.571 29.109 28.738 -0.333 0.000 1.195 19 Q HN 0.792 nan 8.270 nan 0.000 0.426 20 I N 4.205 124.595 120.570 -0.300 0.000 2.362 20 I HA 0.232 4.401 4.170 -0.001 0.000 0.289 20 I C -0.765 175.144 176.117 -0.346 0.000 0.994 20 I CA -0.806 60.264 61.300 -0.383 0.000 1.158 20 I CB 1.015 38.772 38.000 -0.405 0.000 1.315 20 I HN 0.587 nan 8.210 nan 0.000 0.451 21 F N 5.108 124.668 119.950 -0.650 0.000 2.434 21 F HA 0.127 4.653 4.527 -0.001 0.000 0.358 21 F C 1.777 177.346 175.800 -0.385 0.000 1.136 21 F CA 0.125 57.874 58.000 -0.418 0.000 1.157 21 F CB 0.833 39.672 39.000 -0.268 0.000 1.167 21 F HN 0.513 nan 8.300 nan 0.000 0.539 22 T N 1.463 115.820 114.554 -0.330 0.000 2.721 22 T HA -0.302 4.048 4.350 -0.001 0.000 0.268 22 T C 1.700 176.328 174.700 -0.121 0.000 1.038 22 T CA 2.064 63.981 62.100 -0.305 0.000 1.145 22 T CB -0.216 68.208 68.868 -0.740 0.000 0.858 22 T HN 0.595 nan 8.240 nan 0.000 0.459 23 D N 0.324 120.710 120.400 -0.025 0.000 2.264 23 D HA -0.066 4.574 4.640 -0.001 0.000 0.208 23 D C 1.925 178.310 176.300 0.142 0.000 0.966 23 D CA 0.665 54.766 54.000 0.169 0.000 0.864 23 D CB 0.169 41.150 40.800 0.300 0.000 0.933 23 D HN 0.094 nan 8.370 nan 0.000 0.499 24 R N -0.705 119.851 120.500 0.093 0.000 2.393 24 R HA 0.129 4.469 4.340 -0.001 0.000 0.244 24 R C 0.660 177.016 176.300 0.093 0.000 0.920 24 R CA -0.139 56.000 56.100 0.065 0.000 1.076 24 R CB -0.248 30.084 30.300 0.053 0.000 1.119 24 R HN 0.281 nan 8.270 nan 0.000 0.524 25 F N 0.172 120.091 119.950 -0.052 0.000 2.403 25 F HA 0.320 4.847 4.527 -0.001 0.000 0.263 25 F C 0.245 176.170 175.800 0.209 0.000 1.020 25 F CA 0.152 58.188 58.000 0.061 0.000 1.091 25 F CB 0.294 39.309 39.000 0.024 0.000 1.141 25 F HN -0.213 nan 8.300 nan 0.000 0.633 26 S N 0.069 115.857 115.700 0.147 0.000 2.614 26 S HA 0.246 4.716 4.470 -0.001 0.000 0.275 26 S C -1.799 172.859 174.600 0.098 0.000 1.161 26 S CA -0.761 57.461 58.200 0.037 0.000 0.969 26 S CB 0.864 63.978 63.200 -0.143 0.000 1.059 26 S HN 0.275 nan 8.310 nan 0.000 0.482 27 D N 3.577 124.026 120.400 0.082 0.000 2.435 27 D HA 0.358 4.997 4.640 -0.001 0.000 0.230 27 D C 1.206 177.539 176.300 0.054 0.000 1.215 27 D CA 0.025 54.078 54.000 0.089 0.000 0.947 27 D CB 0.444 41.311 40.800 0.112 0.000 1.048 27 D HN 0.695 nan 8.370 nan 0.000 0.512 28 G N 3.168 112.002 108.800 0.057 0.000 2.777 28 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.211 28 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.211 28 G C 0.652 175.574 174.900 0.037 0.000 1.149 28 G CA -0.235 44.889 45.100 0.039 0.000 0.785 28 G HN 0.458 nan 8.290 nan 0.000 0.536 29 N N -0.370 118.353 118.700 0.039 0.000 2.607 29 N HA 0.326 5.066 4.740 -0.001 0.000 0.271 29 N C -2.324 173.185 175.510 -0.002 0.000 1.142 29 N CA -1.856 51.207 53.050 0.021 0.000 0.810 29 N CB 2.291 40.796 38.487 0.030 0.000 1.306 29 N HN -0.233 nan 8.380 nan 0.000 0.536 30 P HA 0.011 nan 4.420 nan 0.000 0.221 30 P C 0.880 178.121 177.300 -0.098 0.000 1.150 30 P CA 0.799 63.869 63.100 -0.049 0.000 0.800 30 P CB 0.331 32.013 31.700 -0.031 0.000 0.787 31 A N 0.821 123.598 122.820 -0.072 0.000 2.121 31 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 31 A C 1.674 179.194 177.584 -0.107 0.000 1.154 31 A CA 1.594 53.580 52.037 -0.086 0.000 0.679 31 A CB -1.356 17.612 19.000 -0.053 0.000 0.795 31 A HN 0.305 nan 8.150 nan 0.000 0.458 32 N N -0.190 118.451 118.700 -0.099 0.000 2.314 32 N HA 0.018 4.758 4.740 -0.001 0.000 0.200 32 N C -0.687 174.715 175.510 -0.180 0.000 1.135 32 N CA -0.318 52.662 53.050 -0.116 0.000 0.835 32 N CB -0.558 37.885 38.487 -0.073 0.000 0.989 32 N HN 0.155 nan 8.380 nan 0.000 0.478 33 N N 2.223 120.774 118.700 -0.247 0.000 2.513 33 N HA 0.251 4.991 4.740 -0.001 0.000 0.268 33 N C -2.283 172.963 175.510 -0.439 0.000 1.180 33 N CA -1.231 51.590 53.050 -0.383 0.000 0.948 33 N CB 0.282 38.354 38.487 -0.692 0.000 1.083 33 N HN 0.180 nan 8.380 nan 0.000 0.455 34 P HA -0.033 nan 4.420 nan 0.000 0.269 34 P C -0.046 177.095 177.300 -0.265 0.000 1.205 34 P CA 0.240 63.161 63.100 -0.298 0.000 0.780 34 P CB 0.414 31.914 31.700 -0.333 0.000 0.858 35 T N -2.256 112.224 114.554 -0.124 0.000 2.910 35 T HA 0.692 5.042 4.350 -0.001 0.000 0.287 35 T C 0.528 175.256 174.700 0.046 0.000 1.050 35 T CA -0.122 61.938 62.100 -0.067 0.000 1.011 35 T CB 1.426 70.235 68.868 -0.099 0.000 1.195 35 T HN 0.744 nan 8.240 nan 0.000 0.540 36 G N 0.888 109.728 108.800 0.068 0.000 2.550 36 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.277 36 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.277 36 G C 1.140 176.105 174.900 0.109 0.000 1.190 36 G CA 0.655 45.798 45.100 0.072 0.000 0.971 36 G HN 1.817 nan 8.290 nan 0.000 0.559 37 A N -0.294 122.577 122.820 0.084 0.000 2.172 37 A HA 0.468 4.788 4.320 -0.001 0.000 0.216 37 A C 2.680 180.336 177.584 0.120 0.000 1.154 37 A CA 2.526 54.615 52.037 0.087 0.000 0.701 37 A CB -0.627 18.412 19.000 0.064 0.000 0.789 37 A HN 2.219 nan 8.150 nan 0.000 0.465 38 A N -1.853 121.062 122.820 0.158 0.000 2.169 38 A HA 0.431 4.751 4.320 -0.001 0.000 0.212 38 A C 0.402 178.179 177.584 0.321 0.000 1.153 38 A CA 0.168 52.343 52.037 0.230 0.000 0.756 38 A CB -0.208 18.919 19.000 0.213 0.000 0.813 38 A HN 0.482 nan 8.150 nan 0.000 0.471 39 F N -0.173 119.828 119.950 0.085 0.000 2.508 39 F HA 0.588 5.114 4.527 -0.001 0.000 0.325 39 F C -1.329 174.503 175.800 0.053 0.000 1.090 39 F CA -1.627 56.420 58.000 0.079 0.000 0.945 39 F CB 1.806 40.823 39.000 0.030 0.000 1.156 39 F HN -0.012 nan 8.300 nan 0.000 0.463 40 D N 3.318 123.201 120.400 -0.861 0.000 2.346 40 D HA 0.272 4.912 4.640 -0.001 0.000 0.255 40 D C 0.872 176.596 176.300 -0.960 0.000 1.276 40 D CA -0.080 53.515 54.000 -0.676 0.000 0.941 40 D CB 1.122 41.731 40.800 -0.320 0.000 1.199 40 D HN 0.697 nan 8.370 nan 0.000 0.537 41 G N 1.472 109.665 108.800 -1.011 0.000 2.448 41 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 41 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 41 G C 1.331 176.111 174.900 -0.200 0.000 1.127 41 G CA 1.088 45.914 45.100 -0.455 0.000 0.766 41 G HN 0.520 nan 8.290 nan 0.000 0.552 42 S N -1.517 114.077 115.700 -0.175 0.000 2.561 42 S HA -0.006 4.464 4.470 -0.001 0.000 0.225 42 S C 1.336 175.868 174.600 -0.113 0.000 0.977 42 S CA 0.537 58.675 58.200 -0.103 0.000 0.926 42 S CB -0.662 62.493 63.200 -0.075 0.000 0.769 42 S HN 0.751 nan 8.310 nan 0.000 0.533 43 c N 2.452 120.950 118.600 -0.169 0.000 4.114 43 c HA -0.178 4.391 4.570 -0.001 0.000 0.300 43 c C 1.697 175.715 174.090 -0.119 0.000 1.423 43 c CA 1.107 57.343 56.329 -0.154 0.000 2.034 43 c CB -2.857 39.585 42.510 -0.112 0.000 1.299 43 c HN 0.888 nan 8.230 nan 0.000 0.727 44 T N -3.093 111.395 114.554 -0.110 0.000 3.037 44 T HA 0.076 4.426 4.350 -0.001 0.000 0.251 44 T C 0.479 175.128 174.700 -0.085 0.000 1.079 44 T CA 0.790 62.841 62.100 -0.083 0.000 1.067 44 T CB -0.107 68.723 68.868 -0.062 0.000 0.948 44 T HN 0.662 nan 8.240 nan 0.000 0.496 45 N N 1.569 120.206 118.700 -0.104 0.000 2.527 45 N HA 0.188 4.928 4.740 -0.001 0.000 0.236 45 N C 0.194 175.614 175.510 -0.150 0.000 0.999 45 N CA -0.710 52.284 53.050 -0.094 0.000 0.935 45 N CB 0.882 39.325 38.487 -0.074 0.000 1.132 45 N HN -0.004 nan 8.380 nan 0.000 0.511 46 L N 3.310 124.440 121.223 -0.155 0.000 2.622 46 L HA 0.127 4.466 4.340 -0.001 0.000 0.233 46 L C 1.623 178.254 176.870 -0.400 0.000 1.156 46 L CA 0.759 55.449 54.840 -0.250 0.000 0.866 46 L CB -0.440 41.522 42.059 -0.161 0.000 0.980 46 L HN 0.495 nan 8.230 nan 0.000 0.448 47 R N -2.003 118.346 120.500 -0.252 0.000 2.397 47 R HA 0.208 4.547 4.340 -0.001 0.000 0.241 47 R C -0.234 175.975 176.300 -0.152 0.000 0.914 47 R CA -0.344 55.656 56.100 -0.167 0.000 1.071 47 R CB 0.553 30.890 30.300 0.061 0.000 1.116 47 R HN 0.068 nan 8.270 nan 0.000 0.524 48 L N -0.365 120.730 121.223 -0.214 0.000 2.365 48 L HA 0.310 4.649 4.340 -0.001 0.000 0.267 48 L C -0.158 176.637 176.870 -0.125 0.000 1.033 48 L CA -1.077 53.712 54.840 -0.084 0.000 0.802 48 L CB 0.254 42.283 42.059 -0.051 0.000 1.267 48 L HN -0.079 nan 8.230 nan 0.000 0.457 49 Y N -0.336 119.966 120.300 0.004 0.000 2.442 49 Y HA 0.041 4.590 4.550 -0.001 0.000 0.330 49 Y C 1.130 176.986 175.900 -0.073 0.000 1.129 49 Y CA 0.143 58.288 58.100 0.074 0.000 1.365 49 Y CB 0.617 39.213 38.460 0.226 0.000 1.233 49 Y HN 0.530 nan 8.280 nan 0.000 0.529 50 c N 0.855 119.504 118.600 0.081 0.000 2.780 50 c HA 0.317 4.887 4.570 -0.001 0.000 0.267 50 c C 1.795 176.022 174.090 0.229 0.000 1.266 50 c CA 0.496 56.791 56.329 -0.057 0.000 1.709 50 c CB -0.583 41.892 42.510 -0.058 0.000 1.975 50 c HN 1.223 nan 8.230 nan 0.000 0.582 51 G N 0.092 109.144 108.800 0.420 0.000 2.229 51 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.189 51 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.189 51 G C 0.380 175.427 174.900 0.244 0.000 1.000 51 G CA -0.151 45.199 45.100 0.417 0.000 0.663 51 G HN 0.763 nan 8.290 nan 0.000 0.493 52 G N 0.701 109.631 108.800 0.216 0.000 2.414 52 G HA2 0.533 4.492 3.960 -0.001 0.000 0.236 52 G HA3 0.533 4.492 3.960 -0.001 0.000 0.236 52 G C -0.006 174.969 174.900 0.125 0.000 1.293 52 G CA 1.144 46.341 45.100 0.162 0.000 0.869 52 G HN 1.045 nan 8.290 nan 0.000 0.556 53 D N -0.760 119.694 120.400 0.090 0.000 2.759 53 D HA 0.211 4.851 4.640 -0.001 0.000 0.321 53 D C 0.419 176.779 176.300 0.099 0.000 1.267 53 D CA -0.881 53.118 54.000 -0.001 0.000 0.933 53 D CB 0.200 41.014 40.800 0.023 0.000 1.431 53 D HN 0.311 nan 8.370 nan 0.000 0.504 54 W N -0.551 120.820 121.300 0.118 0.000 2.467 54 W HA 0.012 4.672 4.660 -0.001 0.000 0.275 54 W C 1.963 178.533 176.519 0.085 0.000 1.239 54 W CA 0.735 58.138 57.345 0.096 0.000 1.266 54 W CB -0.829 28.716 29.460 0.141 0.000 1.112 54 W HN 0.531 nan 8.180 nan 0.000 0.576 55 Q N 0.453 120.416 119.800 0.271 0.000 2.167 55 Q HA -0.051 4.288 4.340 -0.001 0.000 0.202 55 Q C 2.363 178.443 176.000 0.134 0.000 0.970 55 Q CA 2.194 58.099 55.803 0.170 0.000 0.855 55 Q CB -0.880 27.932 28.738 0.124 0.000 0.911 55 Q HN 0.159 nan 8.270 nan 0.000 0.438 56 G N 0.227 109.117 108.800 0.151 0.000 2.402 56 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.216 56 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.216 56 G C 1.401 176.435 174.900 0.223 0.000 1.162 56 G CA 0.877 46.056 45.100 0.133 0.000 0.777 56 G HN 0.420 nan 8.290 nan 0.000 0.539 57 I N 0.529 121.288 120.570 0.315 0.000 2.252 57 I HA -0.093 4.077 4.170 -0.001 0.000 0.245 57 I C 2.628 178.848 176.117 0.173 0.000 1.102 57 I CA 0.648 62.139 61.300 0.318 0.000 1.385 57 I CB -0.242 37.881 38.000 0.205 0.000 1.064 57 I HN 0.115 nan 8.210 nan 0.000 0.414 58 I N 1.183 121.825 120.570 0.120 0.000 2.194 58 I HA -0.337 3.832 4.170 -0.001 0.000 0.246 58 I C 2.200 178.329 176.117 0.020 0.000 1.093 58 I CA 1.462 62.793 61.300 0.051 0.000 1.355 58 I CB -0.583 37.453 38.000 0.060 0.000 1.046 58 I HN 0.338 nan 8.210 nan 0.000 0.413 59 N N 0.807 119.524 118.700 0.028 0.000 2.166 59 N HA -0.141 4.599 4.740 -0.001 0.000 0.186 59 N C 1.692 177.174 175.510 -0.046 0.000 1.019 59 N CA 1.092 54.128 53.050 -0.023 0.000 0.856 59 N CB -0.202 38.255 38.487 -0.050 0.000 0.993 59 N HN 0.269 nan 8.380 nan 0.000 0.426 60 K N 0.575 120.978 120.400 0.005 0.000 2.366 60 K HA 0.143 4.462 4.320 -0.001 0.000 0.198 60 K C 1.957 178.608 176.600 0.085 0.000 1.044 60 K CA 0.130 56.446 56.287 0.048 0.000 0.973 60 K CB 0.082 32.713 32.500 0.217 0.000 0.767 60 K HN 0.288 nan 8.250 nan 0.000 0.475 61 I N 0.850 121.424 120.570 0.007 0.000 2.235 61 I HA -0.240 3.929 4.170 -0.001 0.000 0.241 61 I C 1.757 177.723 176.117 -0.252 0.000 1.085 61 I CA 1.068 62.291 61.300 -0.128 0.000 1.378 61 I CB -0.318 37.573 38.000 -0.182 0.000 1.076 61 I HN 0.199 nan 8.210 nan 0.000 0.415 62 N N 0.911 119.480 118.700 -0.218 0.000 2.104 62 N HA -0.236 4.504 4.740 -0.001 0.000 0.190 62 N C 1.082 176.552 175.510 -0.067 0.000 1.024 62 N CA 1.601 54.553 53.050 -0.163 0.000 0.853 62 N CB -0.133 38.317 38.487 -0.061 0.000 1.008 62 N HN 0.459 nan 8.380 nan 0.000 0.424 63 D N -0.630 119.744 120.400 -0.043 0.000 2.336 63 D HA 0.063 4.703 4.640 -0.001 0.000 0.229 63 D C 1.101 177.414 176.300 0.021 0.000 1.061 63 D CA 0.526 54.518 54.000 -0.013 0.000 0.875 63 D CB -0.216 40.563 40.800 -0.035 0.000 0.904 63 D HN 0.287 nan 8.370 nan 0.000 0.525 64 G N -0.172 108.640 108.800 0.019 0.000 2.159 64 G HA2 -0.429 3.530 3.960 -0.001 0.000 0.256 64 G HA3 -0.429 3.530 3.960 -0.001 0.000 0.256 64 G C 0.581 175.545 174.900 0.106 0.000 0.977 64 G CA 0.397 45.526 45.100 0.048 0.000 0.652 64 G HN 0.403 nan 8.290 nan 0.000 0.531 65 Y N 0.293 120.617 120.300 0.040 0.000 2.163 65 Y HA 0.155 4.705 4.550 -0.001 0.000 0.288 65 Y C 2.486 178.480 175.900 0.158 0.000 1.136 65 Y CA 2.296 60.479 58.100 0.139 0.000 1.147 65 Y CB -0.176 38.353 38.460 0.114 0.000 0.987 65 Y HN 0.237 nan 8.280 nan 0.000 0.509 66 L N -0.258 120.985 121.223 0.034 0.000 2.068 66 L HA -0.105 4.235 4.340 -0.001 0.000 0.204 66 L C 2.736 179.506 176.870 -0.166 0.000 1.076 66 L CA 2.381 57.135 54.840 -0.144 0.000 0.753 66 L CB -1.608 40.434 42.059 -0.030 0.000 0.910 66 L HN 0.481 nan 8.230 nan 0.000 0.439 67 T N -4.008 110.501 114.554 -0.075 0.000 2.915 67 T HA -0.068 4.281 4.350 -0.001 0.000 0.269 67 T C 1.907 176.570 174.700 -0.063 0.000 1.071 67 T CA 0.891 62.959 62.100 -0.053 0.000 1.132 67 T CB -0.889 67.984 68.868 0.008 0.000 0.878 67 T HN 0.298 nan 8.240 nan 0.000 0.479 68 G N 0.839 109.618 108.800 -0.036 0.000 2.471 68 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.219 68 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.219 68 G C 1.404 176.247 174.900 -0.095 0.000 1.125 68 G CA 0.592 45.702 45.100 0.016 0.000 0.775 68 G HN 0.566 nan 8.290 nan 0.000 0.548 69 M N 0.154 119.555 119.600 -0.332 0.000 2.556 69 M HA 0.292 4.772 4.480 -0.001 0.000 0.245 69 M C 1.625 177.717 176.300 -0.346 0.000 1.128 69 M CA 1.067 55.987 55.300 -0.633 0.000 1.069 69 M CB 0.384 32.418 32.600 -0.945 0.000 1.469 69 M HN 0.300 nan 8.290 nan 0.000 0.494 70 G N 1.454 110.127 108.800 -0.212 0.000 2.141 70 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.242 70 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.242 70 G C -0.060 174.764 174.900 -0.126 0.000 0.982 70 G CA -0.091 44.922 45.100 -0.145 0.000 0.662 70 G HN 0.403 nan 8.290 nan 0.000 0.527 71 I N 1.913 122.398 120.570 -0.141 0.000 2.648 71 I HA 0.262 4.432 4.170 -0.001 0.000 0.284 71 I C 1.764 177.856 176.117 -0.043 0.000 1.153 71 I CA 1.465 62.717 61.300 -0.080 0.000 1.426 71 I CB 0.883 38.813 38.000 -0.115 0.000 1.381 71 I HN 0.386 nan 8.210 nan 0.000 0.571 72 T N 1.719 116.263 114.554 -0.017 0.000 3.043 72 T HA 0.627 4.977 4.350 -0.001 0.000 0.272 72 T C 0.164 174.871 174.700 0.012 0.000 0.990 72 T CA -0.081 62.002 62.100 -0.028 0.000 0.897 72 T CB 0.334 69.151 68.868 -0.084 0.000 1.111 72 T HN 0.688 nan 8.240 nan 0.000 0.529 73 A N 1.666 124.544 122.820 0.097 0.000 2.547 73 A HA 0.785 5.104 4.320 -0.001 0.000 0.297 73 A C -0.979 176.759 177.584 0.257 0.000 1.056 73 A CA -1.205 50.951 52.037 0.199 0.000 0.688 73 A CB 1.193 20.391 19.000 0.329 0.000 1.282 73 A HN 0.717 nan 8.150 nan 0.000 0.400 74 I N -1.894 118.837 120.570 0.267 0.000 2.603 74 I HA 0.857 5.026 4.170 -0.001 0.000 0.300 74 I C -1.023 175.314 176.117 0.367 0.000 1.017 74 I CA -0.773 60.695 61.300 0.280 0.000 1.098 74 I CB 2.000 40.097 38.000 0.162 0.000 1.279 74 I HN 0.736 nan 8.210 nan 0.000 0.437 75 W N 8.529 129.913 121.300 0.139 0.000 2.475 75 W HA 0.748 5.407 4.660 -0.001 0.000 0.320 75 W C -1.421 175.120 176.519 0.037 0.000 1.022 75 W CA -1.917 55.502 57.345 0.124 0.000 1.240 75 W CB 0.931 30.505 29.460 0.190 0.000 1.328 75 W HN 0.658 nan 8.180 nan 0.000 0.439 76 I N 2.414 123.143 120.570 0.265 0.000 2.863 76 I HA 0.673 4.843 4.170 -0.001 0.000 0.311 76 I C 0.454 176.552 176.117 -0.031 0.000 1.026 76 I CA -0.961 60.350 61.300 0.018 0.000 1.077 76 I CB 1.683 39.730 38.000 0.079 0.000 1.262 76 I HN 0.176 nan 8.210 nan 0.000 0.461 77 S N 1.606 117.152 115.700 -0.257 0.000 2.569 77 S HA -0.033 4.436 4.470 -0.001 0.000 0.274 77 S C -0.010 174.538 174.600 -0.086 0.000 1.353 77 S CA -0.328 57.658 58.200 -0.358 0.000 1.023 77 S CB 0.262 63.132 63.200 -0.550 0.000 0.876 77 S HN 0.721 nan 8.310 nan 0.000 0.540 78 Q N 2.685 122.425 119.800 -0.100 0.000 2.263 78 Q HA 0.022 4.362 4.340 -0.001 0.000 0.289 78 Q C -1.523 174.509 176.000 0.052 0.000 1.061 78 Q CA -1.217 54.568 55.803 -0.030 0.000 0.927 78 Q CB 0.602 29.304 28.738 -0.059 0.000 1.154 78 Q HN 0.335 nan 8.270 nan 0.000 0.378 79 P HA -0.017 nan 4.420 nan 0.000 0.240 79 P C 0.075 177.439 177.300 0.107 0.000 1.190 79 P CA 0.156 63.362 63.100 0.176 0.000 0.781 79 P CB 0.313 31.830 31.700 -0.304 0.000 0.931 80 V N 1.749 121.606 119.914 -0.096 0.000 2.843 80 V HA -0.021 4.098 4.120 -0.001 0.000 0.305 80 V C 1.067 177.112 176.094 -0.082 0.000 1.065 80 V CA -0.208 62.079 62.300 -0.022 0.000 1.116 80 V CB 0.113 31.824 31.823 -0.188 0.000 0.968 80 V HN 0.146 nan 8.190 nan 0.000 0.487 81 E N 3.583 123.763 120.200 -0.033 0.000 2.465 81 E HA -0.009 4.340 4.350 -0.001 0.000 0.260 81 E C -0.355 176.106 176.600 -0.233 0.000 0.980 81 E CA -0.038 56.286 56.400 -0.127 0.000 0.927 81 E CB 0.342 30.016 29.700 -0.042 0.000 0.934 81 E HN 0.674 nan 8.360 nan 0.000 0.459 82 N N 2.443 120.941 118.700 -0.337 0.000 2.483 82 N HA 0.340 5.079 4.740 -0.001 0.000 0.285 82 N C -0.576 174.672 175.510 -0.436 0.000 1.210 82 N CA -0.654 52.217 53.050 -0.298 0.000 0.931 82 N CB 0.823 39.160 38.487 -0.250 0.000 1.220 82 N HN 0.453 nan 8.380 nan 0.000 0.542 83 I N -1.195 119.254 120.570 -0.202 0.000 2.813 83 I HA 0.048 4.218 4.170 -0.001 0.000 0.287 83 I C 0.003 175.944 176.117 -0.293 0.000 1.196 83 I CA 0.109 61.295 61.300 -0.191 0.000 1.421 83 I CB 0.332 38.322 38.000 -0.017 0.000 1.365 83 I HN 0.556 nan 8.210 nan 0.000 0.591 84 Y N 2.344 122.657 120.300 0.021 0.000 2.500 84 Y HA 0.125 4.675 4.550 -0.001 0.000 0.270 84 Y C 1.498 177.419 175.900 0.035 0.000 1.134 84 Y CA -0.050 58.058 58.100 0.013 0.000 1.293 84 Y CB -0.324 38.112 38.460 -0.038 0.000 1.063 84 Y HN 0.585 nan 8.280 nan 0.000 0.534 85 S N 0.675 116.446 115.700 0.118 0.000 2.558 85 S HA 0.144 4.614 4.470 -0.001 0.000 0.288 85 S C -0.018 174.638 174.600 0.093 0.000 1.318 85 S CA -0.461 57.768 58.200 0.049 0.000 1.056 85 S CB 1.024 64.170 63.200 -0.090 0.000 0.853 85 S HN -0.046 nan 8.310 nan 0.000 0.505 86 V N 4.649 124.602 119.914 0.065 0.000 2.364 86 V HA 0.326 4.445 4.120 -0.001 0.000 0.272 86 V C 0.085 176.184 176.094 0.007 0.000 1.036 86 V CA -0.341 62.012 62.300 0.088 0.000 0.880 86 V CB 0.331 32.204 31.823 0.083 0.000 0.991 86 V HN 0.710 nan 8.190 nan 0.000 0.460 87 I N 4.824 125.396 120.570 0.003 0.000 2.377 87 I HA 0.361 4.530 4.170 -0.001 0.000 0.293 87 I C 0.266 176.280 176.117 -0.172 0.000 0.987 87 I CA -0.331 60.857 61.300 -0.186 0.000 1.185 87 I CB 1.392 39.188 38.000 -0.340 0.000 1.341 87 I HN 0.535 nan 8.210 nan 0.000 0.455 88 N N 6.292 124.888 118.700 -0.174 0.000 2.426 88 N HA 0.185 4.924 4.740 -0.001 0.000 0.257 88 N C -1.651 173.779 175.510 -0.133 0.000 1.002 88 N CA -0.259 52.745 53.050 -0.076 0.000 0.942 88 N CB 0.700 39.180 38.487 -0.011 0.000 1.112 88 N HN 0.361 nan 8.380 nan 0.000 0.499 89 Y N 1.943 122.316 120.300 0.121 0.000 2.587 89 Y HA 0.168 4.718 4.550 -0.001 0.000 0.328 89 Y C 0.596 176.533 175.900 0.061 0.000 0.980 89 Y CA -0.571 57.587 58.100 0.095 0.000 1.272 89 Y CB 0.719 39.241 38.460 0.103 0.000 1.094 89 Y HN 0.476 nan 8.280 nan 0.000 0.503 90 S N 2.546 118.356 115.700 0.183 0.000 3.436 90 S HA -0.160 4.309 4.470 -0.001 0.000 0.393 90 S C 1.318 175.971 174.600 0.088 0.000 0.914 90 S CA 1.121 59.387 58.200 0.110 0.000 1.317 90 S CB -1.333 61.926 63.200 0.097 0.000 0.920 90 S HN 1.454 nan 8.310 nan 0.000 0.564 91 G N -0.962 107.883 108.800 0.074 0.000 2.498 91 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.229 91 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.229 91 G C 0.350 175.293 174.900 0.071 0.000 1.156 91 G CA 0.098 45.234 45.100 0.059 0.000 0.680 91 G HN 1.610 nan 8.290 nan 0.000 0.512 92 V N 2.527 122.502 119.914 0.101 0.000 2.498 92 V HA 0.593 4.712 4.120 -0.001 0.000 0.279 92 V C 0.157 176.329 176.094 0.130 0.000 1.048 92 V CA -0.883 61.481 62.300 0.106 0.000 0.967 92 V CB 1.117 33.008 31.823 0.112 0.000 0.988 92 V HN 0.418 nan 8.190 nan 0.000 0.473 93 N N 5.483 124.242 118.700 0.098 0.000 2.530 93 N HA 0.340 5.079 4.740 -0.001 0.000 0.273 93 N C -0.531 175.071 175.510 0.154 0.000 1.173 93 N CA 0.170 53.281 53.050 0.102 0.000 0.967 93 N CB 0.439 38.971 38.487 0.074 0.000 1.109 93 N HN 0.758 nan 8.380 nan 0.000 0.453 94 N N -0.219 118.604 118.700 0.204 0.000 2.260 94 N HA 0.370 5.110 4.740 -0.001 0.000 0.293 94 N C -0.776 174.911 175.510 0.296 0.000 1.058 94 N CA -0.406 52.826 53.050 0.303 0.000 0.824 94 N CB 2.173 40.992 38.487 0.553 0.000 1.551 94 N HN 0.550 nan 8.380 nan 0.000 0.475 95 T N -2.491 112.170 114.554 0.179 0.000 2.910 95 T HA 0.592 4.941 4.350 -0.001 0.000 0.287 95 T C 0.403 174.871 174.700 -0.386 0.000 1.050 95 T CA -0.756 61.404 62.100 0.100 0.000 1.011 95 T CB 1.642 70.597 68.868 0.145 0.000 1.195 95 T HN 0.349 nan 8.240 nan 0.000 0.540 96 A N 0.557 123.104 122.820 -0.454 0.000 2.648 96 A HA 0.302 4.621 4.320 -0.001 0.000 0.269 96 A C 1.201 178.011 177.584 -1.291 0.000 1.392 96 A CA -0.369 51.054 52.037 -1.023 0.000 1.019 96 A CB -1.696 17.121 19.000 -0.304 0.000 1.009 96 A HN 0.934 nan 8.150 nan 0.000 0.565 97 Y N -0.210 119.258 120.300 -1.388 0.000 2.256 97 Y HA -0.301 4.248 4.550 -0.001 0.000 0.288 97 Y C 1.812 177.358 175.900 -0.589 0.000 1.155 97 Y CA 1.708 59.064 58.100 -1.240 0.000 1.203 97 Y CB -1.118 36.831 38.460 -0.851 0.000 0.980 97 Y HN 0.652 nan 8.280 nan 0.000 0.530 98 H N -1.258 116.943 119.070 -1.448 0.000 2.547 98 H HA 0.328 4.884 4.556 -0.001 0.000 0.272 98 H C 1.991 176.686 175.328 -1.055 0.000 0.989 98 H CA -0.090 55.241 56.048 -1.195 0.000 1.214 98 H CB -0.610 28.437 29.762 -1.191 0.000 1.389 98 H HN 0.454 nan 8.280 nan 0.000 0.577 99 G N -0.064 108.364 108.800 -0.620 0.000 2.179 99 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.260 99 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.260 99 G C 0.407 175.182 174.900 -0.208 0.000 0.977 99 G CA 0.523 45.410 45.100 -0.355 0.000 0.641 99 G HN 0.513 nan 8.290 nan 0.000 0.533 100 Y N -1.246 119.095 120.300 0.068 0.000 2.529 100 Y HA 0.376 4.925 4.550 -0.001 0.000 0.290 100 Y C 0.890 177.023 175.900 0.388 0.000 1.177 100 Y CA -0.749 57.432 58.100 0.136 0.000 1.305 100 Y CB 0.141 38.625 38.460 0.039 0.000 1.047 100 Y HN 0.377 nan 8.280 nan 0.000 0.522 101 W N 1.177 122.590 121.300 0.190 0.000 1.993 101 W HA 0.696 5.356 4.660 -0.001 0.000 0.288 101 W C 0.034 176.529 176.519 -0.040 0.000 0.844 101 W CA -2.119 55.302 57.345 0.126 0.000 2.039 101 W CB -0.323 29.194 29.460 0.096 0.000 2.270 101 W HN -0.163 nan 8.180 nan 0.000 0.389 102 A N 1.920 124.784 122.820 0.074 0.000 2.445 102 A HA 0.464 4.784 4.320 -0.001 0.000 0.242 102 A C 1.340 178.851 177.584 -0.121 0.000 1.075 102 A CA 0.112 52.002 52.037 -0.245 0.000 0.777 102 A CB 0.601 19.082 19.000 -0.864 0.000 1.013 102 A HN 0.640 nan 8.150 nan 0.000 0.493 103 R N -0.015 120.413 120.500 -0.120 0.000 2.507 103 R HA 0.282 4.621 4.340 -0.001 0.000 0.230 103 R C -0.835 175.576 176.300 0.185 0.000 0.897 103 R CA 0.110 56.265 56.100 0.092 0.000 1.006 103 R CB 0.631 31.005 30.300 0.124 0.000 1.341 103 R HN 0.514 nan 8.270 nan 0.000 0.604 104 D N 0.071 120.506 120.400 0.058 0.000 2.616 104 D HA 0.180 4.820 4.640 -0.001 0.000 0.238 104 D C -0.626 175.802 176.300 0.213 0.000 1.354 104 D CA -0.693 53.461 54.000 0.257 0.000 0.970 104 D CB 1.045 41.969 40.800 0.208 0.000 1.369 104 D HN -0.012 nan 8.370 nan 0.000 0.585 105 F N 1.722 121.897 119.950 0.374 0.000 2.802 105 F HA 0.091 4.618 4.527 -0.001 0.000 0.300 105 F C 2.142 178.210 175.800 0.446 0.000 1.168 105 F CA 0.364 58.572 58.000 0.347 0.000 1.433 105 F CB 0.390 39.538 39.000 0.248 0.000 1.115 105 F HN 0.108 nan 8.300 nan 0.000 0.582 106 K N 0.169 120.842 120.400 0.455 0.000 2.353 106 K HA 0.199 4.519 4.320 -0.001 0.000 0.195 106 K C 0.332 177.037 176.600 0.176 0.000 1.031 106 K CA 0.286 56.721 56.287 0.246 0.000 1.079 106 K CB 0.513 33.126 32.500 0.188 0.000 0.857 106 K HN 0.228 nan 8.250 nan 0.000 0.535 107 K N 0.018 120.575 120.400 0.262 0.000 2.352 107 K HA 0.319 4.638 4.320 -0.001 0.000 0.240 107 K C -0.365 176.422 176.600 0.311 0.000 1.017 107 K CA -0.546 55.864 56.287 0.203 0.000 0.851 107 K CB 1.779 34.363 32.500 0.140 0.000 1.261 107 K HN -0.290 nan 8.250 nan 0.000 0.451 108 T N 0.958 115.681 114.554 0.280 0.000 2.913 108 T HA 0.111 4.461 4.350 -0.001 0.000 0.287 108 T C -0.345 174.435 174.700 0.133 0.000 1.008 108 T CA -0.471 61.838 62.100 0.349 0.000 1.067 108 T CB 0.432 69.553 68.868 0.421 0.000 0.996 108 T HN 0.409 nan 8.240 nan 0.000 0.513 109 N N 3.576 122.279 118.700 0.006 0.000 2.401 109 N HA 0.150 4.890 4.740 -0.001 0.000 0.255 109 N C -1.429 173.918 175.510 -0.272 0.000 1.110 109 N CA -2.105 50.788 53.050 -0.261 0.000 0.949 109 N CB 1.377 39.489 38.487 -0.625 0.000 1.110 109 N HN 0.305 nan 8.380 nan 0.000 0.490 110 P HA -0.088 nan 4.420 nan 0.000 0.225 110 P C 0.741 177.929 177.300 -0.187 0.000 1.148 110 P CA 0.654 63.691 63.100 -0.104 0.000 0.779 110 P CB 0.246 31.934 31.700 -0.021 0.000 0.780 111 A N -0.951 121.689 122.820 -0.299 0.000 2.015 111 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 111 A C 1.911 179.410 177.584 -0.142 0.000 1.163 111 A CA 1.076 52.943 52.037 -0.283 0.000 0.646 111 A CB -1.312 17.412 19.000 -0.459 0.000 0.806 111 A HN 0.082 nan 8.150 nan 0.000 0.448 112 Y N -0.867 119.156 120.300 -0.461 0.000 2.347 112 Y HA 0.392 4.941 4.550 -0.001 0.000 0.294 112 Y C 1.540 176.897 175.900 -0.904 0.000 1.117 112 Y CA 0.079 57.642 58.100 -0.896 0.000 1.184 112 Y CB -0.626 36.949 38.460 -1.476 0.000 1.047 112 Y HN 0.398 nan 8.280 nan 0.000 0.546 113 G N -1.055 107.469 108.800 -0.459 0.000 2.320 113 G HA2 0.315 4.275 3.960 -0.001 0.000 0.297 113 G HA3 0.315 4.275 3.960 -0.001 0.000 0.297 113 G C -0.699 174.342 174.900 0.236 0.000 1.344 113 G CA -0.489 44.633 45.100 0.037 0.000 0.851 113 G HN 0.153 nan 8.290 nan 0.000 0.567 114 T N -2.155 112.591 114.554 0.319 0.000 2.824 114 T HA 0.450 4.799 4.350 -0.001 0.000 0.277 114 T C 1.656 176.620 174.700 0.439 0.000 0.975 114 T CA 0.524 62.801 62.100 0.295 0.000 0.966 114 T CB 1.181 70.161 68.868 0.187 0.000 1.054 114 T HN 0.663 nan 8.240 nan 0.000 0.533 115 M N 0.359 120.145 119.600 0.311 0.000 2.213 115 M HA -0.027 4.453 4.480 -0.001 0.000 0.263 115 M C 2.338 178.790 176.300 0.253 0.000 1.062 115 M CA 1.636 57.102 55.300 0.277 0.000 1.105 115 M CB -1.003 31.683 32.600 0.143 0.000 1.385 115 M HN 0.839 nan 8.290 nan 0.000 0.417 116 Q N 0.193 120.112 119.800 0.198 0.000 2.119 116 Q HA -0.162 4.177 4.340 -0.001 0.000 0.201 116 Q C 1.439 177.551 176.000 0.186 0.000 0.972 116 Q CA 2.043 57.939 55.803 0.155 0.000 0.847 116 Q CB -0.368 28.440 28.738 0.116 0.000 0.903 116 Q HN 0.518 nan 8.270 nan 0.000 0.433 117 D N -0.641 119.925 120.400 0.276 0.000 2.144 117 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 117 D C 1.458 177.933 176.300 0.292 0.000 0.984 117 D CA 0.799 54.996 54.000 0.328 0.000 0.834 117 D CB -0.274 40.821 40.800 0.490 0.000 0.955 117 D HN 0.284 nan 8.370 nan 0.000 0.465 118 F N 1.949 121.966 119.950 0.111 0.000 2.102 118 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 118 F C 2.149 177.859 175.800 -0.150 0.000 1.105 118 F CA 1.351 59.174 58.000 -0.295 0.000 1.239 118 F CB 0.058 38.892 39.000 -0.278 0.000 0.991 118 F HN -0.201 nan 8.300 nan 0.000 0.474 119 K N -0.073 120.348 120.400 0.036 0.000 2.057 119 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 119 K C 1.736 178.271 176.600 -0.108 0.000 1.049 119 K CA 1.505 57.762 56.287 -0.049 0.000 0.931 119 K CB -0.321 32.202 32.500 0.039 0.000 0.714 119 K HN 0.230 nan 8.250 nan 0.000 0.440 120 N N 1.107 119.780 118.700 -0.044 0.000 2.223 120 N HA -0.152 4.587 4.740 -0.001 0.000 0.185 120 N C 1.690 177.137 175.510 -0.105 0.000 1.016 120 N CA 0.782 53.810 53.050 -0.037 0.000 0.863 120 N CB -0.203 38.302 38.487 0.030 0.000 0.983 120 N HN 0.084 nan 8.380 nan 0.000 0.429 121 L N 0.830 121.932 121.223 -0.202 0.000 2.056 121 L HA 0.002 4.342 4.340 -0.001 0.000 0.207 121 L C 1.823 178.477 176.870 -0.360 0.000 1.078 121 L CA 1.235 55.914 54.840 -0.269 0.000 0.749 121 L CB -0.391 41.414 42.059 -0.424 0.000 0.901 121 L HN -0.005 nan 8.230 nan 0.000 0.433 122 I N 0.043 120.303 120.570 -0.517 0.000 2.179 122 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 122 I C 2.122 177.924 176.117 -0.524 0.000 1.088 122 I CA 1.408 62.352 61.300 -0.593 0.000 1.357 122 I CB -1.446 36.224 38.000 -0.551 0.000 1.051 122 I HN 0.320 nan 8.210 nan 0.000 0.409 123 D N 0.406 120.638 120.400 -0.279 0.000 2.144 123 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 123 D C 2.190 178.461 176.300 -0.047 0.000 0.978 123 D CA 1.357 55.280 54.000 -0.128 0.000 0.833 123 D CB -0.244 40.523 40.800 -0.055 0.000 0.961 123 D HN 0.269 nan 8.370 nan 0.000 0.470 124 T N 0.575 115.107 114.554 -0.037 0.000 2.777 124 T HA -0.053 4.297 4.350 -0.001 0.000 0.266 124 T C 2.009 176.789 174.700 0.132 0.000 1.040 124 T CA 1.301 63.444 62.100 0.072 0.000 1.141 124 T CB -0.175 68.711 68.868 0.030 0.000 0.868 124 T HN 0.176 nan 8.240 nan 0.000 0.444 125 A N 1.530 124.351 122.820 0.002 0.000 1.858 125 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 125 A C 2.084 179.762 177.584 0.156 0.000 1.190 125 A CA 1.554 53.618 52.037 0.045 0.000 0.617 125 A CB -0.884 18.090 19.000 -0.044 0.000 0.827 125 A HN 0.471 nan 8.150 nan 0.000 0.443 126 H N -0.109 118.967 119.070 0.012 0.000 2.387 126 H HA 0.038 4.594 4.556 -0.001 0.000 0.299 126 H C 2.381 177.699 175.328 -0.017 0.000 1.090 126 H CA 0.971 57.014 56.048 -0.009 0.000 1.332 126 H CB -0.744 29.004 29.762 -0.024 0.000 1.386 126 H HN 0.499 nan 8.280 nan 0.000 0.516 127 A N 0.452 123.336 122.820 0.107 0.000 2.070 127 A HA -0.149 4.171 4.320 -0.001 0.000 0.220 127 A C 1.324 178.776 177.584 -0.219 0.000 1.159 127 A CA 1.176 53.182 52.037 -0.051 0.000 0.656 127 A CB -0.373 18.578 19.000 -0.081 0.000 0.800 127 A HN 0.494 nan 8.150 nan 0.000 0.453 128 H N -0.605 118.476 119.070 0.019 0.000 2.505 128 H HA 0.111 4.666 4.556 -0.001 0.000 0.286 128 H C -0.168 175.156 175.328 -0.005 0.000 1.072 128 H CA -0.029 56.022 56.048 0.004 0.000 1.141 128 H CB 0.152 29.918 29.762 0.006 0.000 1.550 128 H HN 0.467 nan 8.280 nan 0.000 0.547 129 N N 0.919 119.651 118.700 0.053 0.000 2.735 129 N HA -0.181 4.559 4.740 -0.001 0.000 0.248 129 N C -0.429 175.088 175.510 0.012 0.000 1.083 129 N CA 0.637 53.688 53.050 0.002 0.000 0.703 129 N CB -1.528 36.937 38.487 -0.035 0.000 1.005 129 N HN 0.462 nan 8.380 nan 0.000 0.550 130 I N 0.674 121.288 120.570 0.074 0.000 2.406 130 I HA 0.204 4.374 4.170 -0.001 0.000 0.290 130 I C 0.560 176.757 176.117 0.133 0.000 0.999 130 I CA -0.607 60.737 61.300 0.073 0.000 1.124 130 I CB 1.588 39.635 38.000 0.079 0.000 1.289 130 I HN -0.188 nan 8.210 nan 0.000 0.441 131 K N 4.556 125.011 120.400 0.092 0.000 2.118 131 K HA 0.580 4.899 4.320 -0.001 0.000 0.264 131 K C -0.988 175.760 176.600 0.246 0.000 1.000 131 K CA -0.596 55.789 56.287 0.163 0.000 0.929 131 K CB 1.833 34.339 32.500 0.010 0.000 1.021 131 K HN 0.262 nan 8.250 nan 0.000 0.463 132 V N 4.170 124.246 119.914 0.270 0.000 2.407 132 V HA 0.354 4.474 4.120 -0.001 0.000 0.291 132 V C -0.365 175.884 176.094 0.258 0.000 1.018 132 V CA -0.730 61.687 62.300 0.195 0.000 0.842 132 V CB 1.120 32.954 31.823 0.019 0.000 0.996 132 V HN 0.599 nan 8.190 nan 0.000 0.426 133 I N 6.144 126.879 120.570 0.275 0.000 2.412 133 I HA 0.554 4.724 4.170 -0.001 0.000 0.296 133 I C -0.153 176.085 176.117 0.202 0.000 0.987 133 I CA -0.547 60.879 61.300 0.210 0.000 1.180 133 I CB 1.723 39.832 38.000 0.182 0.000 1.340 133 I HN 0.613 nan 8.210 nan 0.000 0.455 134 I N 1.377 122.026 120.570 0.131 0.000 2.562 134 I HA 0.555 4.724 4.170 -0.001 0.000 0.301 134 I C -0.607 175.569 176.117 0.098 0.000 1.003 134 I CA -0.903 60.484 61.300 0.145 0.000 1.127 134 I CB 1.368 39.419 38.000 0.086 0.000 1.304 134 I HN 0.293 nan 8.210 nan 0.000 0.446 135 D N 3.747 124.250 120.400 0.172 0.000 2.423 135 D HA 0.272 4.911 4.640 -0.001 0.000 0.238 135 D C -1.201 175.222 176.300 0.206 0.000 1.142 135 D CA 0.919 55.022 54.000 0.172 0.000 0.884 135 D CB 0.882 41.800 40.800 0.197 0.000 1.199 135 D HN 0.478 nan 8.370 nan 0.000 0.438 136 F N 0.392 120.365 119.950 0.038 0.000 2.588 136 F HA 0.463 4.990 4.527 -0.001 0.000 0.318 136 F C -1.070 174.801 175.800 0.117 0.000 1.155 136 F CA -0.829 57.221 58.000 0.084 0.000 0.967 136 F CB 1.502 40.560 39.000 0.097 0.000 1.236 136 F HN 0.274 nan 8.300 nan 0.000 0.455 137 A N 7.398 130.129 122.820 -0.148 0.000 3.064 137 A HA 0.479 4.799 4.320 -0.001 0.000 0.339 137 A C -2.359 175.104 177.584 -0.201 0.000 1.078 137 A CA -1.095 50.886 52.037 -0.092 0.000 0.869 137 A CB -0.251 18.740 19.000 -0.015 0.000 1.067 137 A HN 0.455 nan 8.150 nan 0.000 0.480 138 P HA -0.027 nan 4.420 nan 0.000 0.253 138 P C 0.592 177.813 177.300 -0.130 0.000 1.260 138 P CA 0.490 63.432 63.100 -0.263 0.000 0.800 138 P CB 0.167 31.758 31.700 -0.182 0.000 1.162 139 N N 0.833 119.458 118.700 -0.126 0.000 2.409 139 N HA -0.091 4.648 4.740 -0.001 0.000 0.179 139 N C 0.670 176.182 175.510 0.003 0.000 1.032 139 N CA 0.452 53.507 53.050 0.009 0.000 0.898 139 N CB -0.048 38.493 38.487 0.089 0.000 0.971 139 N HN 0.311 nan 8.380 nan 0.000 0.441 140 H N -4.850 114.269 119.070 0.081 0.000 2.948 140 H HA 0.251 4.806 4.556 -0.001 0.000 0.315 140 H C -0.155 175.301 175.328 0.212 0.000 1.360 140 H CA -0.140 55.965 56.048 0.096 0.000 1.125 140 H CB 0.731 30.526 29.762 0.056 0.000 1.844 140 H HN 0.022 nan 8.280 nan 0.000 0.529 141 T N -0.688 114.091 114.554 0.376 0.000 3.608 141 T HA 0.326 4.676 4.350 -0.001 0.000 0.213 141 T C 0.693 175.575 174.700 0.303 0.000 0.897 141 T CA 0.853 63.151 62.100 0.330 0.000 1.533 141 T CB -0.510 68.551 68.868 0.322 0.000 1.504 141 T HN 0.849 nan 8.240 nan 0.000 0.446 142 S N 0.568 116.308 115.700 0.068 0.000 2.656 142 S HA 0.649 5.118 4.470 -0.001 0.000 0.273 142 S C -3.374 171.015 174.600 -0.351 0.000 1.168 142 S CA -1.571 56.527 58.200 -0.171 0.000 0.817 142 S CB 1.021 64.147 63.200 -0.124 0.000 1.146 142 S HN 0.219 nan 8.310 nan 0.000 0.475 143 P HA 0.437 nan 4.420 nan 0.000 0.262 143 P C -0.957 176.256 177.300 -0.145 0.000 1.182 143 P CA 0.468 63.388 63.100 -0.301 0.000 0.761 143 P CB 0.358 31.856 31.700 -0.337 0.000 0.795 144 A N 2.293 125.091 122.820 -0.036 0.000 2.594 144 A HA 0.685 5.005 4.320 -0.001 0.000 0.295 144 A C -1.050 176.556 177.584 0.037 0.000 1.071 144 A CA -0.457 51.566 52.037 -0.024 0.000 0.685 144 A CB 1.561 20.322 19.000 -0.398 0.000 1.285 144 A HN 0.334 nan 8.150 nan 0.000 0.405 145 S N 0.027 115.832 115.700 0.176 0.000 2.647 145 S HA 0.487 4.956 4.470 -0.001 0.000 0.300 145 S C 0.978 175.707 174.600 0.215 0.000 1.129 145 S CA 0.216 58.484 58.200 0.113 0.000 1.029 145 S CB 1.116 64.299 63.200 -0.029 0.000 1.007 145 S HN 1.693 nan 8.310 nan 0.000 0.484 146 S N 3.237 119.108 115.700 0.284 0.000 2.428 146 S HA -0.064 4.405 4.470 -0.001 0.000 0.230 146 S C 1.065 175.674 174.600 0.015 0.000 1.014 146 S CA 0.773 59.028 58.200 0.092 0.000 0.957 146 S CB -0.297 62.820 63.200 -0.138 0.000 0.784 146 S HN 0.750 nan 8.310 nan 0.000 0.499 147 D N 1.888 122.298 120.400 0.017 0.000 2.144 147 D HA -0.004 4.635 4.640 -0.001 0.000 0.200 147 D C 0.128 176.427 176.300 -0.001 0.000 0.978 147 D CA 1.172 55.165 54.000 -0.011 0.000 0.833 147 D CB -0.216 40.571 40.800 -0.022 0.000 0.961 147 D HN 0.432 nan 8.370 nan 0.000 0.470 148 D N -0.517 119.894 120.400 0.018 0.000 2.464 148 D HA 0.156 4.796 4.640 -0.001 0.000 0.243 148 D C -2.047 174.301 176.300 0.080 0.000 1.104 148 D CA -2.247 51.775 54.000 0.037 0.000 0.883 148 D CB 1.725 42.540 40.800 0.025 0.000 1.050 148 D HN -0.148 nan 8.370 nan 0.000 0.524 149 P HA -0.073 nan 4.420 nan 0.000 0.225 149 P C 0.992 178.326 177.300 0.057 0.000 1.148 149 P CA 0.667 63.798 63.100 0.051 0.000 0.779 149 P CB 0.179 31.891 31.700 0.021 0.000 0.780 150 S N -2.180 113.561 115.700 0.068 0.000 2.558 150 S HA 0.045 4.515 4.470 -0.001 0.000 0.217 150 S C 0.437 175.082 174.600 0.075 0.000 0.975 150 S CA -0.524 57.708 58.200 0.054 0.000 0.912 150 S CB -1.114 62.112 63.200 0.043 0.000 0.776 150 S HN -0.008 nan 8.310 nan 0.000 0.526 151 F N 3.557 123.483 119.950 -0.041 0.000 2.495 151 F HA 0.554 5.080 4.527 -0.001 0.000 0.365 151 F C 0.995 176.749 175.800 -0.078 0.000 1.090 151 F CA -0.217 57.744 58.000 -0.065 0.000 1.235 151 F CB 0.197 39.155 39.000 -0.071 0.000 1.119 151 F HN 0.476 nan 8.300 nan 0.000 0.562 152 A N 4.680 126.942 122.820 -0.929 0.000 5.481 152 A HA -0.355 3.965 4.320 -0.001 0.000 0.318 152 A C 0.972 178.366 177.584 -0.317 0.000 1.837 152 A CA 1.583 53.174 52.037 -0.743 0.000 0.717 152 A CB -1.516 16.838 19.000 -1.076 0.000 1.349 152 A HN 0.832 nan 8.150 nan 0.000 0.388 153 E N 1.022 121.091 120.200 -0.218 0.000 2.585 153 E HA 0.241 4.591 4.350 -0.001 0.000 0.206 153 E C 0.339 176.913 176.600 -0.044 0.000 1.007 153 E CA 0.360 56.721 56.400 -0.065 0.000 1.028 153 E CB -0.106 29.604 29.700 0.018 0.000 1.087 153 E HN 0.647 nan 8.360 nan 0.000 0.455 154 N N 0.712 119.365 118.700 -0.079 0.000 2.721 154 N HA -0.250 4.489 4.740 -0.001 0.000 0.249 154 N C 0.705 176.161 175.510 -0.089 0.000 1.072 154 N CA 0.420 53.450 53.050 -0.034 0.000 0.710 154 N CB -0.825 37.667 38.487 0.009 0.000 0.993 154 N HN 0.583 nan 8.380 nan 0.000 0.547 155 G N -0.048 108.668 108.800 -0.141 0.000 2.187 155 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.261 155 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.261 155 G C 0.240 175.131 174.900 -0.015 0.000 1.000 155 G CA 0.826 45.819 45.100 -0.177 0.000 0.718 155 G HN 0.658 nan 8.290 nan 0.000 0.519 156 R N -0.916 119.615 120.500 0.051 0.000 2.623 156 R HA 0.373 4.712 4.340 -0.001 0.000 0.271 156 R C 0.104 176.510 176.300 0.177 0.000 1.043 156 R CA -0.236 55.920 56.100 0.092 0.000 1.083 156 R CB 0.540 30.848 30.300 0.014 0.000 0.974 156 R HN 0.247 nan 8.270 nan 0.000 0.436 157 L N 3.849 125.133 121.223 0.101 0.000 2.322 157 L HA 0.397 4.736 4.340 -0.001 0.000 0.281 157 L C -1.470 175.339 176.870 -0.102 0.000 1.014 157 L CA -0.492 54.413 54.840 0.110 0.000 0.815 157 L CB 1.017 43.103 42.059 0.045 0.000 1.247 157 L HN 0.397 nan 8.230 nan 0.000 0.421 158 Y N 1.886 122.226 120.300 0.066 0.000 2.549 158 Y HA 0.520 5.069 4.550 -0.001 0.000 0.339 158 Y C -0.482 175.481 175.900 0.104 0.000 1.053 158 Y CA -0.914 57.224 58.100 0.064 0.000 1.105 158 Y CB 1.605 40.127 38.460 0.102 0.000 1.258 158 Y HN 0.564 nan 8.280 nan 0.000 0.478 159 D N 1.598 122.164 120.400 0.277 0.000 2.454 159 D HA 0.150 4.790 4.640 -0.001 0.000 0.247 159 D C -0.408 176.079 176.300 0.311 0.000 1.129 159 D CA -0.443 53.787 54.000 0.383 0.000 0.877 159 D CB 0.032 40.993 40.800 0.269 0.000 1.082 159 D HN 0.587 nan 8.370 nan 0.000 0.537 160 N N 3.471 122.356 118.700 0.309 0.000 2.716 160 N HA -0.243 4.497 4.740 -0.001 0.000 0.250 160 N C 0.972 176.579 175.510 0.163 0.000 1.033 160 N CA 2.068 55.238 53.050 0.198 0.000 0.727 160 N CB -1.021 37.557 38.487 0.152 0.000 0.950 160 N HN 0.855 nan 8.380 nan 0.000 0.541 161 G N -1.500 107.414 108.800 0.190 0.000 2.254 161 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.225 161 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.225 161 G C -0.029 175.036 174.900 0.276 0.000 1.003 161 G CA 0.134 45.327 45.100 0.155 0.000 0.622 161 G HN 0.784 nan 8.290 nan 0.000 0.507 162 N N 1.042 119.896 118.700 0.257 0.000 2.422 162 N HA 0.491 5.230 4.740 -0.001 0.000 0.264 162 N C 0.343 175.955 175.510 0.170 0.000 1.063 162 N CA -0.502 52.670 53.050 0.204 0.000 0.959 162 N CB 0.577 39.137 38.487 0.122 0.000 1.087 162 N HN 0.310 nan 8.380 nan 0.000 0.483 163 L N 5.195 126.447 121.223 0.049 0.000 2.477 163 L HA 0.045 4.384 4.340 -0.001 0.000 0.272 163 L C 0.868 177.611 176.870 -0.211 0.000 1.157 163 L CA 0.056 54.696 54.840 -0.332 0.000 0.889 163 L CB 0.445 42.296 42.059 -0.347 0.000 1.158 163 L HN 0.732 nan 8.230 nan 0.000 0.473 164 L N 4.729 125.800 121.223 -0.252 0.000 2.221 164 L HA 0.305 4.645 4.340 -0.001 0.000 0.202 164 L C 0.926 177.710 176.870 -0.143 0.000 1.074 164 L CA 0.593 55.324 54.840 -0.181 0.000 0.795 164 L CB -0.092 41.821 42.059 -0.244 0.000 0.960 164 L HN 0.791 nan 8.230 nan 0.000 0.458 165 G N -1.381 107.339 108.800 -0.133 0.000 2.325 165 G HA2 0.430 4.389 3.960 -0.001 0.000 0.297 165 G HA3 0.430 4.389 3.960 -0.001 0.000 0.297 165 G C -1.450 173.522 174.900 0.120 0.000 1.448 165 G CA -0.158 44.938 45.100 -0.006 0.000 0.838 165 G HN 0.130 nan 8.290 nan 0.000 0.579 166 G N -1.708 107.169 108.800 0.128 0.000 2.644 166 G HA2 0.514 4.473 3.960 -0.001 0.000 0.307 166 G HA3 0.514 4.473 3.960 -0.001 0.000 0.307 166 G C 0.164 175.078 174.900 0.023 0.000 1.250 166 G CA -0.353 44.790 45.100 0.071 0.000 0.996 166 G HN 0.663 nan 8.290 nan 0.000 0.489 167 Y N 0.140 120.226 120.300 -0.357 0.000 2.286 167 Y HA 0.139 4.688 4.550 -0.001 0.000 0.293 167 Y C 1.884 177.727 175.900 -0.094 0.000 1.124 167 Y CA 1.066 58.914 58.100 -0.421 0.000 1.178 167 Y CB 0.014 38.157 38.460 -0.528 0.000 1.010 167 Y HN 0.324 nan 8.280 nan 0.000 0.536 168 T N 1.923 116.441 114.554 -0.060 0.000 2.851 168 T HA 0.074 4.423 4.350 -0.001 0.000 0.298 168 T C 0.065 174.703 174.700 -0.102 0.000 0.977 168 T CA 0.176 62.216 62.100 -0.099 0.000 1.126 168 T CB 0.265 69.113 68.868 -0.034 0.000 0.916 168 T HN 0.426 nan 8.240 nan 0.000 0.529 169 N N 1.837 120.449 118.700 -0.147 0.000 2.756 169 N HA -0.166 4.574 4.740 -0.001 0.000 0.248 169 N C -0.856 174.601 175.510 -0.089 0.000 1.062 169 N CA 0.317 53.297 53.050 -0.118 0.000 0.696 169 N CB -0.723 37.720 38.487 -0.074 0.000 0.946 169 N HN 0.632 nan 8.380 nan 0.000 0.548 170 D N -0.463 119.864 120.400 -0.122 0.000 2.551 170 D HA 0.146 4.786 4.640 -0.001 0.000 0.223 170 D C 1.428 177.692 176.300 -0.059 0.000 1.144 170 D CA 0.553 54.545 54.000 -0.014 0.000 1.025 170 D CB -0.101 40.778 40.800 0.132 0.000 1.085 170 D HN 0.418 nan 8.370 nan 0.000 0.506 171 T N -0.358 114.163 114.554 -0.055 0.000 2.951 171 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 171 T C 1.518 176.194 174.700 -0.041 0.000 1.073 171 T CA 0.810 62.873 62.100 -0.061 0.000 1.134 171 T CB -0.134 68.702 68.868 -0.053 0.000 0.884 171 T HN 0.322 nan 8.240 nan 0.000 0.479 172 Q N 0.872 120.656 119.800 -0.026 0.000 2.451 172 Q HA 0.161 4.500 4.340 -0.001 0.000 0.206 172 Q C 0.178 176.161 176.000 -0.028 0.000 0.947 172 Q CA -0.259 55.526 55.803 -0.030 0.000 0.937 172 Q CB -0.065 28.648 28.738 -0.042 0.000 1.025 172 Q HN 0.433 nan 8.270 nan 0.000 0.511 173 N N 0.647 119.347 118.700 -0.000 0.000 2.714 173 N HA -0.195 4.545 4.740 -0.001 0.000 0.253 173 N C 0.102 175.583 175.510 -0.049 0.000 1.024 173 N CA 0.294 53.362 53.050 0.031 0.000 0.726 173 N CB -0.809 37.688 38.487 0.017 0.000 0.908 173 N HN 0.375 nan 8.380 nan 0.000 0.542 174 L N -1.474 119.680 121.223 -0.116 0.000 2.376 174 L HA 0.066 4.405 4.340 -0.001 0.000 0.219 174 L C 0.602 177.050 176.870 -0.703 0.000 1.133 174 L CA 0.986 55.556 54.840 -0.451 0.000 0.816 174 L CB -0.090 41.568 42.059 -0.669 0.000 0.933 174 L HN 0.108 nan 8.230 nan 0.000 0.449 175 F N -2.564 117.319 119.950 -0.112 0.000 2.611 175 F HA 0.385 4.911 4.527 -0.001 0.000 0.324 175 F C 0.386 176.012 175.800 -0.291 0.000 1.061 175 F CA -1.000 56.873 58.000 -0.212 0.000 0.954 175 F CB 0.856 39.820 39.000 -0.061 0.000 1.301 175 F HN -0.225 nan 8.300 nan 0.000 0.482 176 H N -0.833 118.212 119.070 -0.043 0.000 2.582 176 H HA 0.314 4.870 4.556 -0.001 0.000 0.345 176 H C -0.984 174.038 175.328 -0.510 0.000 1.104 176 H CA -0.268 55.687 56.048 -0.156 0.000 1.390 176 H CB 0.653 30.481 29.762 0.109 0.000 1.461 176 H HN 0.535 nan 8.280 nan 0.000 0.551 177 H N 2.970 121.860 119.070 -0.301 0.000 2.535 177 H HA 0.117 4.672 4.556 -0.001 0.000 0.232 177 H C -0.827 174.228 175.328 -0.456 0.000 1.405 177 H CA -0.061 55.797 56.048 -0.318 0.000 1.224 177 H CB 0.040 29.574 29.762 -0.380 0.000 1.763 177 H HN 0.651 nan 8.280 nan 0.000 0.529 178 Y N 0.003 120.342 120.300 0.065 0.000 2.557 178 Y HA 0.384 4.934 4.550 -0.001 0.000 0.247 178 Y C 1.505 177.394 175.900 -0.018 0.000 1.164 178 Y CA 0.216 58.312 58.100 -0.007 0.000 1.218 178 Y CB 0.846 39.269 38.460 -0.061 0.000 1.210 178 Y HN 0.625 nan 8.280 nan 0.000 0.529 179 G N 0.013 108.874 108.800 0.101 0.000 2.660 179 G HA2 0.055 4.015 3.960 -0.001 0.000 0.247 179 G HA3 0.055 4.015 3.960 -0.001 0.000 0.247 179 G C 0.052 174.951 174.900 -0.001 0.000 1.328 179 G CA -0.679 44.447 45.100 0.043 0.000 0.884 179 G HN 0.584 nan 8.290 nan 0.000 0.531 180 G N -1.021 107.741 108.800 -0.063 0.000 2.389 180 G HA2 0.687 4.647 3.960 -0.001 0.000 0.317 180 G HA3 0.687 4.647 3.960 -0.001 0.000 0.317 180 G C 0.256 175.018 174.900 -0.230 0.000 1.137 180 G CA 0.980 45.988 45.100 -0.153 0.000 0.870 180 G HN 1.328 nan 8.290 nan 0.000 0.496 181 T N -0.637 113.675 114.554 -0.402 0.000 2.918 181 T HA 0.230 4.580 4.350 -0.001 0.000 0.302 181 T C 0.873 175.212 174.700 -0.601 0.000 1.045 181 T CA 0.115 61.891 62.100 -0.540 0.000 1.114 181 T CB 0.764 69.147 68.868 -0.808 0.000 0.965 181 T HN 0.595 nan 8.240 nan 0.000 0.540 182 D N 2.324 122.481 120.400 -0.404 0.000 2.395 182 D HA 0.065 4.704 4.640 -0.001 0.000 0.213 182 D C 0.559 176.825 176.300 -0.057 0.000 1.110 182 D CA -0.355 53.522 54.000 -0.205 0.000 0.835 182 D CB -0.621 40.131 40.800 -0.079 0.000 0.965 182 D HN 0.590 nan 8.370 nan 0.000 0.505 183 F N 0.538 120.444 119.950 -0.074 0.000 3.069 183 F HA -0.312 4.214 4.527 -0.001 0.000 0.285 183 F C 1.845 177.623 175.800 -0.037 0.000 0.827 183 F CA 0.729 58.698 58.000 -0.052 0.000 1.108 183 F CB -2.637 36.334 39.000 -0.049 0.000 1.252 183 F HN 0.166 nan 8.300 nan 0.000 0.483 184 S N -2.867 112.870 115.700 0.062 0.000 2.423 184 S HA 0.079 4.548 4.470 -0.001 0.000 0.231 184 S C 0.958 175.575 174.600 0.029 0.000 1.014 184 S CA 1.282 59.506 58.200 0.041 0.000 0.965 184 S CB 0.396 63.597 63.200 0.001 0.000 0.785 184 S HN 0.557 nan 8.310 nan 0.000 0.495 185 T N -0.863 113.695 114.554 0.006 0.000 2.843 185 T HA 0.581 4.931 4.350 -0.001 0.000 0.302 185 T C 0.699 175.382 174.700 -0.028 0.000 1.232 185 T CA -0.732 61.363 62.100 -0.007 0.000 1.009 185 T CB 1.068 69.912 68.868 -0.041 0.000 1.254 185 T HN 0.085 nan 8.240 nan 0.000 0.504 186 I N 1.273 121.830 120.570 -0.022 0.000 2.226 186 I HA -0.077 4.093 4.170 -0.001 0.000 0.245 186 I C 2.554 178.576 176.117 -0.159 0.000 1.100 186 I CA 1.412 62.679 61.300 -0.054 0.000 1.374 186 I CB -0.156 37.877 38.000 0.054 0.000 1.057 186 I HN 0.813 nan 8.210 nan 0.000 0.413 187 E N 1.384 121.390 120.200 -0.324 0.000 2.085 187 E HA -0.304 4.045 4.350 -0.001 0.000 0.194 187 E C 2.066 178.539 176.600 -0.213 0.000 0.994 187 E CA 1.512 57.564 56.400 -0.580 0.000 0.801 187 E CB -0.150 29.049 29.700 -0.835 0.000 0.743 187 E HN 0.408 nan 8.360 nan 0.000 0.453 188 N N 0.164 118.766 118.700 -0.163 0.000 2.084 188 N HA -0.126 4.614 4.740 -0.001 0.000 0.190 188 N C 1.942 177.370 175.510 -0.137 0.000 1.030 188 N CA 1.586 54.561 53.050 -0.126 0.000 0.849 188 N CB -0.409 38.006 38.487 -0.120 0.000 1.012 188 N HN 0.247 nan 8.380 nan 0.000 0.423 189 G N 0.472 109.209 108.800 -0.104 0.000 2.559 189 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.216 189 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.216 189 G C 1.698 176.613 174.900 0.025 0.000 1.126 189 G CA 0.127 45.214 45.100 -0.022 0.000 0.778 189 G HN 0.334 nan 8.290 nan 0.000 0.543 190 I N -1.325 119.167 120.570 -0.130 0.000 2.429 190 I HA 0.037 4.206 4.170 -0.001 0.000 0.247 190 I C 1.832 177.739 176.117 -0.350 0.000 1.099 190 I CA 0.682 61.812 61.300 -0.284 0.000 1.422 190 I CB 0.062 37.743 38.000 -0.531 0.000 1.112 190 I HN 0.098 nan 8.210 nan 0.000 0.430 191 Y N 0.921 121.180 120.300 -0.068 0.000 2.478 191 Y HA 0.218 4.768 4.550 -0.001 0.000 0.261 191 Y C 0.880 176.719 175.900 -0.102 0.000 1.127 191 Y CA -0.060 57.908 58.100 -0.220 0.000 1.288 191 Y CB -0.031 38.191 38.460 -0.396 0.000 1.084 191 Y HN -0.086 nan 8.280 nan 0.000 0.530 192 K N 0.838 121.253 120.400 0.025 0.000 2.095 192 K HA 0.225 4.545 4.320 -0.001 0.000 0.252 192 K C -0.509 176.054 176.600 -0.062 0.000 0.977 192 K CA -1.004 55.290 56.287 0.012 0.000 0.900 192 K CB 0.636 33.083 32.500 -0.088 0.000 1.060 192 K HN -0.071 nan 8.250 nan 0.000 0.449 193 N N 1.457 120.111 118.700 -0.077 0.000 2.518 193 N HA 0.091 4.831 4.740 -0.001 0.000 0.266 193 N C -0.465 174.847 175.510 -0.329 0.000 1.196 193 N CA -0.009 52.953 53.050 -0.147 0.000 0.947 193 N CB 0.319 38.725 38.487 -0.135 0.000 1.098 193 N HN 0.316 nan 8.380 nan 0.000 0.450 194 L N 4.195 125.181 121.223 -0.395 0.000 2.325 194 L HA 0.158 4.497 4.340 -0.001 0.000 0.284 194 L C 0.255 176.769 176.870 -0.594 0.000 1.089 194 L CA -0.260 54.159 54.840 -0.700 0.000 0.836 194 L CB -0.450 41.221 42.059 -0.646 0.000 1.184 194 L HN 0.555 nan 8.230 nan 0.000 0.444 195 Y N 1.531 121.734 120.300 -0.162 0.000 2.851 195 Y HA -0.438 4.112 4.550 -0.001 0.000 0.469 195 Y C 1.365 177.176 175.900 -0.149 0.000 1.167 195 Y CA 1.358 59.380 58.100 -0.130 0.000 2.635 195 Y CB -1.130 37.261 38.460 -0.115 0.000 1.196 195 Y HN 0.831 nan 8.280 nan 0.000 0.625 196 D N 0.798 121.228 120.400 0.050 0.000 2.440 196 D HA 0.256 4.895 4.640 -0.001 0.000 0.216 196 D C -0.275 175.930 176.300 -0.158 0.000 1.150 196 D CA 0.024 53.988 54.000 -0.059 0.000 0.832 196 D CB -0.544 40.260 40.800 0.006 0.000 0.992 196 D HN 0.423 nan 8.370 nan 0.000 0.502 197 L N 1.238 122.357 121.223 -0.174 0.000 2.367 197 L HA 0.423 4.762 4.340 -0.001 0.000 0.275 197 L C 0.711 177.410 176.870 -0.284 0.000 1.129 197 L CA -0.911 53.779 54.840 -0.249 0.000 0.839 197 L CB 0.967 42.827 42.059 -0.332 0.000 1.133 197 L HN 0.001 nan 8.230 nan 0.000 0.453 198 A N 2.770 125.369 122.820 -0.369 0.000 2.473 198 A HA 0.048 4.367 4.320 -0.001 0.000 0.282 198 A C -0.080 177.485 177.584 -0.032 0.000 1.163 198 A CA -0.299 51.418 52.037 -0.533 0.000 0.827 198 A CB -0.397 18.149 19.000 -0.756 0.000 1.098 198 A HN 0.721 nan 8.150 nan 0.000 0.515 199 D N 2.368 122.769 120.400 0.002 0.000 2.371 199 D HA 0.314 4.954 4.640 -0.001 0.000 0.256 199 D C 0.094 176.392 176.300 -0.003 0.000 1.193 199 D CA 0.414 54.454 54.000 0.067 0.000 0.881 199 D CB 0.342 41.214 40.800 0.120 0.000 1.143 199 D HN 0.484 nan 8.370 nan 0.000 0.473 200 L N 3.357 124.459 121.223 -0.201 0.000 2.417 200 L HA 0.171 4.511 4.340 -0.001 0.000 0.268 200 L C 0.638 176.930 176.870 -0.964 0.000 1.158 200 L CA -0.400 54.102 54.840 -0.562 0.000 0.819 200 L CB 0.544 42.229 42.059 -0.623 0.000 1.112 200 L HN 0.393 nan 8.230 nan 0.000 0.458 201 N N 0.782 118.948 118.700 -0.890 0.000 2.558 201 N HA 0.117 4.856 4.740 -0.001 0.000 0.233 201 N C 0.435 175.593 175.510 -0.586 0.000 1.038 201 N CA -0.158 52.441 53.050 -0.751 0.000 0.934 201 N CB 0.378 38.632 38.487 -0.388 0.000 1.175 201 N HN 0.435 nan 8.380 nan 0.000 0.512 202 H N 1.138 119.973 119.070 -0.391 0.000 2.547 202 H HA 0.035 4.591 4.556 -0.001 0.000 0.272 202 H C 1.129 176.351 175.328 -0.178 0.000 0.989 202 H CA 0.523 56.250 56.048 -0.535 0.000 1.214 202 H CB 0.299 29.355 29.762 -1.176 0.000 1.389 202 H HN 0.515 nan 8.280 nan 0.000 0.577 203 N N 0.690 119.434 118.700 0.073 0.000 2.494 203 N HA -0.114 4.626 4.740 -0.001 0.000 0.182 203 N C 0.139 175.696 175.510 0.078 0.000 1.076 203 N CA 0.007 53.141 53.050 0.140 0.000 0.908 203 N CB 0.065 38.670 38.487 0.198 0.000 0.967 203 N HN 0.169 nan 8.380 nan 0.000 0.449 204 N N 0.221 118.920 118.700 -0.001 0.000 2.430 204 N HA 0.034 4.773 4.740 -0.001 0.000 0.265 204 N C 0.214 175.733 175.510 0.014 0.000 1.100 204 N CA 0.187 53.227 53.050 -0.016 0.000 0.961 204 N CB 1.078 39.508 38.487 -0.097 0.000 1.075 204 N HN 0.025 nan 8.380 nan 0.000 0.478 205 S N 2.183 117.910 115.700 0.046 0.000 2.400 205 S HA -0.124 4.345 4.470 -0.001 0.000 0.232 205 S C 1.793 176.433 174.600 0.066 0.000 1.025 205 S CA 1.186 59.430 58.200 0.074 0.000 0.993 205 S CB 0.029 63.270 63.200 0.069 0.000 0.808 205 S HN 0.660 nan 8.310 nan 0.000 0.478 206 S N 0.817 116.532 115.700 0.024 0.000 2.368 206 S HA -0.048 4.421 4.470 -0.001 0.000 0.225 206 S C 1.981 176.600 174.600 0.031 0.000 1.030 206 S CA 1.009 59.220 58.200 0.018 0.000 0.999 206 S CB -0.287 62.891 63.200 -0.037 0.000 0.844 206 S HN 0.342 nan 8.310 nan 0.000 0.459 207 V N 1.909 121.800 119.914 -0.039 0.000 2.379 207 V HA -0.157 3.962 4.120 -0.001 0.000 0.245 207 V C 2.231 178.384 176.094 0.098 0.000 1.044 207 V CA 1.968 64.232 62.300 -0.059 0.000 1.036 207 V CB -0.719 30.945 31.823 -0.265 0.000 0.664 207 V HN 0.455 nan 8.190 nan 0.000 0.453 208 D N 0.315 120.797 120.400 0.136 0.000 2.103 208 D HA -0.190 4.449 4.640 -0.001 0.000 0.190 208 D C 1.998 178.493 176.300 0.326 0.000 0.997 208 D CA 2.038 56.242 54.000 0.341 0.000 0.833 208 D CB -0.189 40.815 40.800 0.340 0.000 0.961 208 D HN 0.180 nan 8.370 nan 0.000 0.447 209 V N -0.247 119.800 119.914 0.221 0.000 2.407 209 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 209 V C 2.134 178.340 176.094 0.187 0.000 1.055 209 V CA 1.873 64.279 62.300 0.176 0.000 1.049 209 V CB -0.895 31.006 31.823 0.129 0.000 0.662 209 V HN 0.355 nan 8.190 nan 0.000 0.455 210 Y N 0.566 120.916 120.300 0.083 0.000 2.145 210 Y HA -0.217 4.332 4.550 -0.001 0.000 0.286 210 Y C 2.176 178.146 175.900 0.117 0.000 1.145 210 Y CA 1.732 59.878 58.100 0.077 0.000 1.148 210 Y CB -0.271 38.209 38.460 0.033 0.000 0.981 210 Y HN 0.152 nan 8.280 nan 0.000 0.507 211 L N -0.006 121.280 121.223 0.106 0.000 2.141 211 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 211 L C 2.388 179.418 176.870 0.267 0.000 1.094 211 L CA 1.499 56.400 54.840 0.103 0.000 0.763 211 L CB -0.415 41.790 42.059 0.243 0.000 0.908 211 L HN 0.157 nan 8.230 nan 0.000 0.437 212 K N -0.337 120.218 120.400 0.258 0.000 2.062 212 K HA -0.127 4.192 4.320 -0.001 0.000 0.205 212 K C 1.659 178.264 176.600 0.009 0.000 1.051 212 K CA 1.165 57.550 56.287 0.163 0.000 0.941 212 K CB -0.038 32.536 32.500 0.124 0.000 0.719 212 K HN 0.175 nan 8.250 nan 0.000 0.440 213 D N 0.691 121.080 120.400 -0.018 0.000 2.178 213 D HA -0.108 4.531 4.640 -0.001 0.000 0.202 213 D C 1.747 178.001 176.300 -0.078 0.000 0.974 213 D CA 1.095 55.051 54.000 -0.074 0.000 0.841 213 D CB -0.085 40.686 40.800 -0.048 0.000 0.953 213 D HN 0.196 nan 8.370 nan 0.000 0.478 214 A N 0.564 123.341 122.820 -0.072 0.000 1.898 214 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 214 A C 2.181 179.897 177.584 0.220 0.000 1.181 214 A CA 0.765 52.840 52.037 0.063 0.000 0.620 214 A CB -0.561 18.505 19.000 0.110 0.000 0.819 214 A HN 0.187 nan 8.150 nan 0.000 0.442 215 I N -0.063 120.572 120.570 0.109 0.000 2.394 215 I HA -0.160 4.010 4.170 -0.001 0.000 0.251 215 I C 2.084 178.193 176.117 -0.014 0.000 1.136 215 I CA 1.462 62.712 61.300 -0.084 0.000 1.425 215 I CB -0.267 37.536 38.000 -0.327 0.000 1.079 215 I HN 0.246 nan 8.210 nan 0.000 0.425 216 K N -0.466 119.896 120.400 -0.064 0.000 2.097 216 K HA -0.192 4.127 4.320 -0.001 0.000 0.206 216 K C 2.149 178.764 176.600 0.024 0.000 1.049 216 K CA 1.680 57.931 56.287 -0.060 0.000 0.933 216 K CB -0.293 31.990 32.500 -0.363 0.000 0.717 216 K HN 0.388 nan 8.250 nan 0.000 0.442 217 M N -0.313 119.251 119.600 -0.060 0.000 2.086 217 M HA -0.188 4.291 4.480 -0.001 0.000 0.261 217 M C 1.418 177.606 176.300 -0.186 0.000 1.067 217 M CA 1.845 57.047 55.300 -0.163 0.000 1.116 217 M CB -0.147 32.262 32.600 -0.319 0.000 1.348 217 M HN 0.215 nan 8.290 nan 0.000 0.407 218 W N 0.452 121.773 121.300 0.035 0.000 2.402 218 W HA -0.086 4.574 4.660 -0.001 0.000 0.286 218 W C 2.011 178.584 176.519 0.091 0.000 1.221 218 W CA 0.595 57.973 57.345 0.055 0.000 1.257 218 W CB -0.343 29.131 29.460 0.023 0.000 1.120 218 W HN 0.202 nan 8.180 nan 0.000 0.551 219 L N -0.205 121.162 121.223 0.239 0.000 2.093 219 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 219 L C 1.892 178.858 176.870 0.160 0.000 1.085 219 L CA 1.110 56.063 54.840 0.188 0.000 0.755 219 L CB -0.751 41.419 42.059 0.185 0.000 0.904 219 L HN -0.119 nan 8.230 nan 0.000 0.435 220 D N 0.213 120.707 120.400 0.157 0.000 2.218 220 D HA -0.130 4.509 4.640 -0.001 0.000 0.204 220 D C 2.184 178.536 176.300 0.088 0.000 0.976 220 D CA 1.100 55.165 54.000 0.108 0.000 0.853 220 D CB -0.048 40.807 40.800 0.092 0.000 0.939 220 D HN 0.288 nan 8.370 nan 0.000 0.481 221 L N -0.709 120.582 121.223 0.114 0.000 2.610 221 L HA 0.121 4.460 4.340 -0.001 0.000 0.232 221 L C 1.381 178.360 176.870 0.183 0.000 1.149 221 L CA 0.498 55.432 54.840 0.157 0.000 0.872 221 L CB 0.027 42.230 42.059 0.239 0.000 0.992 221 L HN 0.154 nan 8.230 nan 0.000 0.447 222 G N 0.096 109.004 108.800 0.180 0.000 2.134 222 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.209 222 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.209 222 G C 0.281 175.308 174.900 0.212 0.000 0.993 222 G CA -0.014 45.191 45.100 0.174 0.000 0.669 222 G HN 0.179 nan 8.290 nan 0.000 0.519 223 V N -2.092 117.973 119.914 0.252 0.000 2.963 223 V HA 0.560 4.679 4.120 -0.001 0.000 0.306 223 V C 0.883 177.121 176.094 0.238 0.000 1.077 223 V CA 0.630 63.081 62.300 0.253 0.000 1.124 223 V CB 1.329 33.339 31.823 0.312 0.000 0.987 223 V HN 0.122 nan 8.190 nan 0.000 0.487 224 D N 2.179 122.746 120.400 0.279 0.000 2.417 224 D HA 0.325 4.965 4.640 -0.001 0.000 0.207 224 D C 0.681 177.213 176.300 0.385 0.000 1.075 224 D CA 1.215 55.419 54.000 0.340 0.000 0.851 224 D CB 1.304 42.348 40.800 0.408 0.000 0.976 224 D HN 0.937 nan 8.370 nan 0.000 0.505 225 G N 0.348 109.293 108.800 0.243 0.000 2.623 225 G HA2 0.597 4.557 3.960 -0.001 0.000 0.290 225 G HA3 0.597 4.557 3.960 -0.001 0.000 0.290 225 G C -1.745 173.145 174.900 -0.017 0.000 1.437 225 G CA -0.647 44.501 45.100 0.080 0.000 0.798 225 G HN -0.006 nan 8.290 nan 0.000 0.488 226 I N 0.509 120.978 120.570 -0.168 0.000 2.569 226 I HA 0.478 4.648 4.170 -0.001 0.000 0.290 226 I C -0.447 175.336 176.117 -0.558 0.000 1.088 226 I CA -0.928 60.230 61.300 -0.235 0.000 1.047 226 I CB 2.434 40.335 38.000 -0.166 0.000 1.237 226 I HN 0.252 nan 8.210 nan 0.000 0.421 227 R N 5.989 126.103 120.500 -0.643 0.000 2.265 227 R HA 0.509 4.848 4.340 -0.001 0.000 0.328 227 R C -1.559 174.535 176.300 -0.342 0.000 0.969 227 R CA -0.583 54.895 56.100 -1.035 0.000 0.832 227 R CB 1.428 30.957 30.300 -1.285 0.000 1.139 227 R HN 0.430 nan 8.270 nan 0.000 0.457 228 V N 4.555 124.334 119.914 -0.224 0.000 2.432 228 V HA 0.069 4.189 4.120 -0.001 0.000 0.271 228 V C 0.516 176.643 176.094 0.055 0.000 1.046 228 V CA -0.643 61.679 62.300 0.037 0.000 0.945 228 V CB 1.214 33.115 31.823 0.131 0.000 0.992 228 V HN 0.666 nan 8.190 nan 0.000 0.471 229 D N 4.217 124.675 120.400 0.097 0.000 2.341 229 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 229 D C 0.744 177.096 176.300 0.087 0.000 1.106 229 D CA 0.641 54.700 54.000 0.099 0.000 0.905 229 D CB 0.987 41.834 40.800 0.079 0.000 1.202 229 D HN 1.091 nan 8.370 nan 0.000 0.426 230 A N 2.255 125.135 122.820 0.099 0.000 2.791 230 A HA -0.174 4.146 4.320 -0.001 0.000 0.292 230 A C 1.452 179.040 177.584 0.007 0.000 1.487 230 A CA 0.933 53.038 52.037 0.113 0.000 0.760 230 A CB -2.473 16.630 19.000 0.171 0.000 1.031 230 A HN 1.120 nan 8.150 nan 0.000 0.503 231 V N -2.207 117.669 119.914 -0.064 0.000 2.759 231 V HA -0.114 4.006 4.120 -0.001 0.000 0.256 231 V C 1.867 177.706 176.094 -0.425 0.000 1.080 231 V CA 2.470 64.662 62.300 -0.181 0.000 1.101 231 V CB -0.623 31.050 31.823 -0.249 0.000 0.698 231 V HN 0.643 nan 8.190 nan 0.000 0.477 232 K N -0.799 119.198 120.400 -0.673 0.000 2.439 232 K HA -0.071 4.248 4.320 -0.001 0.000 0.197 232 K C 1.352 177.434 176.600 -0.862 0.000 1.041 232 K CA 0.882 56.475 56.287 -1.156 0.000 0.970 232 K CB -0.072 31.427 32.500 -1.668 0.000 0.773 232 K HN 0.664 nan 8.250 nan 0.000 0.479 233 H N -0.884 118.035 119.070 -0.252 0.000 2.528 233 H HA 0.261 4.817 4.556 -0.001 0.000 0.282 233 H C -0.286 174.968 175.328 -0.124 0.000 1.097 233 H CA 0.043 55.989 56.048 -0.169 0.000 1.121 233 H CB 0.294 29.987 29.762 -0.116 0.000 1.590 233 H HN 0.106 nan 8.280 nan 0.000 0.553 234 M N 0.724 120.300 119.600 -0.040 0.000 2.591 234 M HA 0.364 4.844 4.480 -0.001 0.000 0.306 234 M C -2.598 173.720 176.300 0.030 0.000 1.190 234 M CA -1.890 53.400 55.300 -0.017 0.000 0.889 234 M CB 2.845 35.436 32.600 -0.015 0.000 1.728 234 M HN -0.201 nan 8.290 nan 0.000 0.458 235 P HA -0.003 nan 4.420 nan 0.000 0.264 235 P C 0.011 177.472 177.300 0.269 0.000 1.193 235 P CA 0.065 63.268 63.100 0.171 0.000 0.763 235 P CB 0.240 32.078 31.700 0.231 0.000 0.810 236 F N 4.305 124.365 119.950 0.184 0.000 2.095 236 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 236 F C 2.169 178.070 175.800 0.169 0.000 1.104 236 F CA 2.553 60.711 58.000 0.264 0.000 1.232 236 F CB -0.884 38.288 39.000 0.287 0.000 0.987 236 F HN 0.379 nan 8.300 nan 0.000 0.475 237 G N -0.955 108.044 108.800 0.333 0.000 2.442 237 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.219 237 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.219 237 G C 1.445 176.423 174.900 0.130 0.000 1.141 237 G CA 0.766 46.005 45.100 0.231 0.000 0.763 237 G HN 0.626 nan 8.290 nan 0.000 0.554 238 W N 1.137 122.456 121.300 0.032 0.000 2.409 238 W HA 0.026 4.686 4.660 -0.001 0.000 0.299 238 W C 2.786 179.280 176.519 -0.043 0.000 1.203 238 W CA 1.399 58.745 57.345 0.000 0.000 1.298 238 W CB -0.009 29.424 29.460 -0.046 0.000 1.127 238 W HN 0.265 nan 8.180 nan 0.000 0.528 239 Q N 0.270 120.045 119.800 -0.042 0.000 2.124 239 Q HA -0.250 4.090 4.340 -0.001 0.000 0.202 239 Q C 2.173 177.990 176.000 -0.306 0.000 0.977 239 Q CA 1.789 57.484 55.803 -0.180 0.000 0.850 239 Q CB -0.401 28.362 28.738 0.042 0.000 0.901 239 Q HN 0.321 nan 8.270 nan 0.000 0.429 240 K N 0.702 120.860 120.400 -0.403 0.000 2.097 240 K HA -0.161 4.158 4.320 -0.001 0.000 0.206 240 K C 2.266 178.709 176.600 -0.262 0.000 1.049 240 K CA 1.595 57.662 56.287 -0.368 0.000 0.933 240 K CB -0.046 32.245 32.500 -0.348 0.000 0.717 240 K HN 0.197 nan 8.250 nan 0.000 0.442 241 S N -0.043 115.497 115.700 -0.266 0.000 2.402 241 S HA -0.153 4.317 4.470 -0.001 0.000 0.229 241 S C 1.894 176.302 174.600 -0.320 0.000 1.021 241 S CA 0.643 58.695 58.200 -0.247 0.000 0.974 241 S CB -0.615 62.461 63.200 -0.207 0.000 0.800 241 S HN 0.407 nan 8.310 nan 0.000 0.484 242 F N 2.407 121.923 119.950 -0.725 0.000 2.102 242 F HA 0.007 4.533 4.527 -0.001 0.000 0.298 242 F C 2.310 177.877 175.800 -0.388 0.000 1.105 242 F CA 1.495 59.084 58.000 -0.686 0.000 1.239 242 F CB -0.398 37.978 39.000 -1.041 0.000 0.991 242 F HN 0.109 nan 8.300 nan 0.000 0.474 243 M N 0.350 119.755 119.600 -0.326 0.000 2.159 243 M HA -0.114 4.365 4.480 -0.001 0.000 0.263 243 M C 2.504 178.638 176.300 -0.278 0.000 1.063 243 M CA 1.591 56.693 55.300 -0.330 0.000 1.110 243 M CB -2.030 30.425 32.600 -0.242 0.000 1.374 243 M HN 0.304 nan 8.290 nan 0.000 0.411 244 A N -0.649 122.034 122.820 -0.228 0.000 2.019 244 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 244 A C 2.317 179.808 177.584 -0.156 0.000 1.164 244 A CA 2.030 53.970 52.037 -0.162 0.000 0.644 244 A CB -0.963 17.962 19.000 -0.125 0.000 0.805 244 A HN 0.474 nan 8.150 nan 0.000 0.449 245 T N 0.175 114.597 114.554 -0.219 0.000 2.737 245 T HA -0.053 4.296 4.350 -0.001 0.000 0.265 245 T C 1.795 176.390 174.700 -0.175 0.000 1.038 245 T CA 1.460 63.443 62.100 -0.196 0.000 1.144 245 T CB -0.337 68.385 68.868 -0.245 0.000 0.866 245 T HN 0.433 nan 8.240 nan 0.000 0.434 246 I N 1.442 121.836 120.570 -0.293 0.000 2.142 246 I HA -0.178 3.991 4.170 -0.001 0.000 0.240 246 I C 2.271 178.336 176.117 -0.086 0.000 1.078 246 I CA 1.401 62.572 61.300 -0.216 0.000 1.343 246 I CB -0.404 37.372 38.000 -0.374 0.000 1.046 246 I HN 0.310 nan 8.210 nan 0.000 0.405 247 N N 0.657 119.292 118.700 -0.108 0.000 2.244 247 N HA -0.131 4.609 4.740 -0.001 0.000 0.183 247 N C 1.214 176.714 175.510 -0.016 0.000 1.016 247 N CA 0.786 53.803 53.050 -0.053 0.000 0.866 247 N CB -0.057 38.392 38.487 -0.063 0.000 0.980 247 N HN 0.318 nan 8.380 nan 0.000 0.430 248 N N -0.409 118.285 118.700 -0.010 0.000 2.467 248 N HA -0.065 4.674 4.740 -0.001 0.000 0.184 248 N C 0.644 176.202 175.510 0.079 0.000 1.106 248 N CA 0.409 53.471 53.050 0.020 0.000 0.892 248 N CB 0.143 38.634 38.487 0.007 0.000 0.969 248 N HN 0.388 nan 8.380 nan 0.000 0.454 249 Y N 0.840 121.098 120.300 -0.071 0.000 2.488 249 Y HA 0.328 4.877 4.550 -0.001 0.000 0.262 249 Y C -0.193 175.680 175.900 -0.045 0.000 1.108 249 Y CA 0.731 58.795 58.100 -0.059 0.000 1.299 249 Y CB 0.527 38.940 38.460 -0.078 0.000 1.231 249 Y HN -0.314 nan 8.280 nan 0.000 0.507 250 K N 2.320 122.608 120.400 -0.187 0.000 2.752 250 K HA 0.291 4.610 4.320 -0.001 0.000 0.199 250 K C -2.881 173.673 176.600 -0.077 0.000 1.069 250 K CA -2.108 54.027 56.287 -0.254 0.000 1.033 250 K CB 1.508 33.782 32.500 -0.378 0.000 1.229 250 K HN 0.089 nan 8.250 nan 0.000 0.572 251 P HA -0.009 nan 4.420 nan 0.000 0.267 251 P C -0.297 177.020 177.300 0.029 0.000 1.209 251 P CA -0.165 62.930 63.100 -0.008 0.000 0.763 251 P CB 0.939 32.646 31.700 0.012 0.000 0.816 252 V N 1.338 121.276 119.914 0.040 0.000 3.040 252 V HA 0.501 4.621 4.120 -0.001 0.000 0.312 252 V C -0.323 175.852 176.094 0.135 0.000 1.115 252 V CA -1.490 60.882 62.300 0.119 0.000 0.998 252 V CB 1.726 33.615 31.823 0.111 0.000 1.042 252 V HN 0.298 nan 8.190 nan 0.000 0.433 253 F N 2.599 122.568 119.950 0.031 0.000 2.569 253 F HA 0.479 5.005 4.527 -0.001 0.000 0.395 253 F C 0.419 176.163 175.800 -0.092 0.000 1.028 253 F CA 0.863 58.818 58.000 -0.074 0.000 1.158 253 F CB -0.161 38.640 39.000 -0.330 0.000 1.023 253 F HN 0.769 nan 8.300 nan 0.000 0.547 254 T N 8.315 122.595 114.554 -0.457 0.000 2.841 254 T HA 0.623 4.973 4.350 -0.001 0.000 0.283 254 T C -1.033 173.388 174.700 -0.465 0.000 1.000 254 T CA -0.299 61.548 62.100 -0.421 0.000 0.977 254 T CB 1.029 69.754 68.868 -0.238 0.000 0.979 254 T HN 0.403 nan 8.240 nan 0.000 0.446 255 F N -0.372 119.206 119.950 -0.620 0.000 2.613 255 F HA 0.934 5.461 4.527 -0.001 0.000 0.314 255 F C -0.040 175.662 175.800 -0.164 0.000 1.075 255 F CA -1.490 56.253 58.000 -0.430 0.000 0.945 255 F CB 0.987 39.648 39.000 -0.565 0.000 1.310 255 F HN 0.725 nan 8.300 nan 0.000 0.467 256 G N -0.144 108.731 108.800 0.125 0.000 2.568 256 G HA2 0.530 4.490 3.960 -0.001 0.000 0.313 256 G HA3 0.530 4.490 3.960 -0.001 0.000 0.313 256 G C -2.029 173.026 174.900 0.257 0.000 1.227 256 G CA -0.918 44.262 45.100 0.133 0.000 0.979 256 G HN 0.927 nan 8.290 nan 0.000 0.486 257 E N 0.069 120.424 120.200 0.258 0.000 2.133 257 E HA 0.306 4.655 4.350 -0.001 0.000 0.274 257 E C -1.447 175.376 176.600 0.370 0.000 0.930 257 E CA -0.922 55.724 56.400 0.411 0.000 0.770 257 E CB 1.258 31.211 29.700 0.422 0.000 1.104 257 E HN 0.441 nan 8.360 nan 0.000 0.403 258 W N 8.136 129.570 121.300 0.222 0.000 2.543 258 W HA 0.279 4.939 4.660 -0.000 0.000 0.318 258 W C -1.897 174.627 176.519 0.009 0.000 1.002 258 W CA -1.466 55.939 57.345 0.101 0.000 1.302 258 W CB 0.522 30.050 29.460 0.114 0.000 1.299 258 W HN 0.509 nan 8.180 nan 0.000 0.424 259 F N 6.050 125.928 119.950 -0.120 0.000 2.471 259 F HA 0.475 5.001 4.527 -0.001 0.000 0.353 259 F C -0.681 174.902 175.800 -0.362 0.000 1.113 259 F CA 0.415 57.977 58.000 -0.729 0.000 1.262 259 F CB 0.693 39.395 39.000 -0.495 0.000 1.146 259 F HN 0.180 nan 8.300 nan 0.000 0.578 260 L N 5.084 125.612 121.223 -1.158 0.000 2.401 260 L HA 0.553 4.893 4.340 -0.001 0.000 0.266 260 L C 0.353 176.803 176.870 -0.701 0.000 0.991 260 L CA -0.919 53.593 54.840 -0.547 0.000 0.818 260 L CB 1.818 43.616 42.059 -0.435 0.000 1.321 260 L HN 0.791 nan 8.230 nan 0.000 0.413 261 G N 1.102 109.779 108.800 -0.204 0.000 2.543 261 G HA2 0.459 4.419 3.960 -0.001 0.000 0.290 261 G HA3 0.459 4.419 3.960 -0.001 0.000 0.290 261 G C -0.266 174.607 174.900 -0.045 0.000 1.310 261 G CA -0.584 44.497 45.100 -0.031 0.000 1.025 261 G HN 0.279 nan 8.290 nan 0.000 0.502 262 V N 1.071 120.995 119.914 0.016 0.000 2.617 262 V HA -0.009 4.111 4.120 -0.001 0.000 0.304 262 V C 1.056 177.147 176.094 -0.005 0.000 1.040 262 V CA 1.321 63.626 62.300 0.007 0.000 1.149 262 V CB 0.020 31.858 31.823 0.024 0.000 0.914 262 V HN 1.018 nan 8.190 nan 0.000 0.487 263 N N 0.961 119.652 118.700 -0.016 0.000 2.863 263 N HA -0.214 4.526 4.740 -0.001 0.000 0.245 263 N C 0.346 175.842 175.510 -0.023 0.000 1.001 263 N CA 1.201 54.241 53.050 -0.017 0.000 0.901 263 N CB -0.507 37.975 38.487 -0.009 0.000 1.124 263 N HN 0.903 nan 8.380 nan 0.000 0.582 264 E N 1.213 121.389 120.200 -0.040 0.000 2.229 264 E HA 0.451 4.801 4.350 -0.001 0.000 0.283 264 E C -0.715 175.829 176.600 -0.094 0.000 1.030 264 E CA -0.268 56.102 56.400 -0.050 0.000 0.836 264 E CB 0.661 30.331 29.700 -0.050 0.000 1.068 264 E HN 0.191 nan 8.360 nan 0.000 0.401 265 I N 3.319 123.853 120.570 -0.060 0.000 2.499 265 I HA 0.192 4.361 4.170 -0.001 0.000 0.288 265 I C -0.552 175.554 176.117 -0.018 0.000 1.048 265 I CA -0.739 60.526 61.300 -0.058 0.000 1.062 265 I CB 2.115 40.121 38.000 0.010 0.000 1.238 265 I HN 0.354 nan 8.210 nan 0.000 0.426 266 S N 6.740 122.411 115.700 -0.048 0.000 2.519 266 S HA 0.520 4.990 4.470 -0.001 0.000 0.309 266 S C -2.155 172.504 174.600 0.100 0.000 1.100 266 S CA -1.567 56.645 58.200 0.021 0.000 1.059 266 S CB 1.819 65.019 63.200 0.000 0.000 1.008 266 S HN 0.295 nan 8.310 nan 0.000 0.478 267 P HA -0.038 nan 4.420 nan 0.000 0.216 267 P C 0.843 178.205 177.300 0.103 0.000 1.153 267 P CA 1.070 64.251 63.100 0.136 0.000 0.848 267 P CB 0.166 31.922 31.700 0.094 0.000 0.787 268 E N -1.410 118.844 120.200 0.090 0.000 2.077 268 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 268 E C 1.979 178.422 176.600 -0.262 0.000 0.989 268 E CA 1.088 57.533 56.400 0.075 0.000 0.800 268 E CB -1.330 28.556 29.700 0.310 0.000 0.746 268 E HN 0.364 nan 8.360 nan 0.000 0.452 269 Y N 0.815 120.657 120.300 -0.764 0.000 2.128 269 Y HA -0.280 4.269 4.550 -0.001 0.000 0.284 269 Y C 2.211 177.771 175.900 -0.567 0.000 1.154 269 Y CA 1.937 59.287 58.100 -1.250 0.000 1.149 269 Y CB -0.180 37.593 38.460 -1.144 0.000 0.976 269 Y HN 0.170 nan 8.280 nan 0.000 0.505 270 H N -0.101 118.946 119.070 -0.039 0.000 2.389 270 H HA -0.158 4.398 4.556 -0.001 0.000 0.299 270 H C 2.200 177.512 175.328 -0.027 0.000 1.081 270 H CA 1.797 57.812 56.048 -0.055 0.000 1.345 270 H CB -0.334 29.397 29.762 -0.051 0.000 1.393 270 H HN 0.542 nan 8.280 nan 0.000 0.520 271 Q N -0.100 119.754 119.800 0.091 0.000 2.124 271 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 271 Q C 2.140 178.229 176.000 0.148 0.000 0.977 271 Q CA 1.206 57.062 55.803 0.088 0.000 0.850 271 Q CB -0.138 28.637 28.738 0.061 0.000 0.901 271 Q HN 0.301 nan 8.270 nan 0.000 0.429 272 F N 0.398 120.363 119.950 0.024 0.000 2.102 272 F HA -0.116 4.411 4.527 -0.001 0.000 0.298 272 F C 2.047 177.908 175.800 0.101 0.000 1.105 272 F CA 1.519 59.635 58.000 0.193 0.000 1.239 272 F CB -0.477 38.591 39.000 0.113 0.000 0.991 272 F HN 0.150 nan 8.300 nan 0.000 0.474 273 A N 0.128 123.002 122.820 0.091 0.000 1.972 273 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 273 A C 1.878 179.488 177.584 0.042 0.000 1.169 273 A CA 1.922 53.989 52.037 0.049 0.000 0.635 273 A CB -0.762 18.307 19.000 0.114 0.000 0.810 273 A HN 0.508 nan 8.150 nan 0.000 0.446 274 N N -0.576 118.168 118.700 0.074 0.000 2.416 274 N HA -0.001 4.739 4.740 -0.001 0.000 0.177 274 N C 1.033 176.566 175.510 0.039 0.000 1.036 274 N CA 1.147 54.239 53.050 0.071 0.000 0.901 274 N CB 0.050 38.587 38.487 0.084 0.000 0.976 274 N HN 0.697 nan 8.380 nan 0.000 0.444 275 E N -1.135 119.093 120.200 0.047 0.000 2.606 275 E HA 0.107 4.456 4.350 -0.001 0.000 0.224 275 E C 1.104 177.756 176.600 0.086 0.000 0.930 275 E CA -0.040 56.423 56.400 0.105 0.000 1.125 275 E CB 0.495 30.308 29.700 0.189 0.000 1.123 275 E HN 0.211 nan 8.360 nan 0.000 0.522 276 S N -0.524 115.044 115.700 -0.221 0.000 2.436 276 S HA 0.105 4.575 4.470 -0.001 0.000 0.228 276 S C 1.799 176.136 174.600 -0.439 0.000 1.014 276 S CA 0.731 58.545 58.200 -0.643 0.000 0.950 276 S CB 0.296 62.651 63.200 -1.408 0.000 0.784 276 S HN 0.321 nan 8.310 nan 0.000 0.504 277 G N 1.319 109.949 108.800 -0.284 0.000 2.195 277 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.224 277 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.224 277 G C -0.035 174.757 174.900 -0.180 0.000 0.990 277 G CA 0.122 45.099 45.100 -0.204 0.000 0.639 277 G HN 0.876 nan 8.290 nan 0.000 0.514 278 M N 0.349 119.817 119.600 -0.219 0.000 2.662 278 M HA 0.850 5.330 4.480 -0.001 0.000 0.310 278 M C 0.450 176.702 176.300 -0.080 0.000 1.204 278 M CA -0.248 54.971 55.300 -0.136 0.000 0.891 278 M CB 2.050 34.606 32.600 -0.074 0.000 1.732 278 M HN 0.510 nan 8.290 nan 0.000 0.467 279 S N 1.094 116.761 115.700 -0.055 0.000 2.647 279 S HA 0.853 5.323 4.470 -0.001 0.000 0.284 279 S C -0.637 174.016 174.600 0.087 0.000 1.134 279 S CA -0.737 57.462 58.200 -0.002 0.000 1.027 279 S CB 1.085 64.276 63.200 -0.016 0.000 1.180 279 S HN 0.653 nan 8.310 nan 0.000 0.521 280 L N -0.131 121.137 121.223 0.075 0.000 2.350 280 L HA 0.533 4.873 4.340 -0.001 0.000 0.260 280 L C -0.840 176.153 176.870 0.206 0.000 1.015 280 L CA -0.835 54.110 54.840 0.175 0.000 0.821 280 L CB 1.624 43.712 42.059 0.047 0.000 1.370 280 L HN 0.757 nan 8.230 nan 0.000 0.416 281 L N 2.359 123.812 121.223 0.384 0.000 2.462 281 L HA 0.081 4.421 4.340 -0.001 0.000 0.272 281 L C 0.056 177.233 176.870 0.512 0.000 1.166 281 L CA 0.015 55.096 54.840 0.401 0.000 0.880 281 L CB 0.178 42.484 42.059 0.412 0.000 1.142 281 L HN 0.524 nan 8.230 nan 0.000 0.473 282 D N 3.385 124.022 120.400 0.395 0.000 2.551 282 D HA 0.017 4.657 4.640 -0.001 0.000 0.223 282 D C 0.904 177.374 176.300 0.283 0.000 1.144 282 D CA 0.082 54.294 54.000 0.354 0.000 1.025 282 D CB 0.172 41.023 40.800 0.085 0.000 1.085 282 D HN 0.283 nan 8.370 nan 0.000 0.506 283 F N 1.111 121.324 119.950 0.438 0.000 2.269 283 F HA -0.061 4.466 4.527 -0.001 0.000 0.301 283 F C 2.525 178.349 175.800 0.041 0.000 1.082 283 F CA 0.657 58.766 58.000 0.183 0.000 1.360 283 F CB 0.008 39.061 39.000 0.088 0.000 1.041 283 F HN 0.277 nan 8.300 nan 0.000 0.512 284 R N -0.298 120.381 120.500 0.299 0.000 2.081 284 R HA -0.216 4.124 4.340 -0.001 0.000 0.235 284 R C 2.304 178.722 176.300 0.197 0.000 1.131 284 R CA 1.672 57.884 56.100 0.186 0.000 0.960 284 R CB -0.656 29.794 30.300 0.250 0.000 0.856 284 R HN 0.305 nan 8.270 nan 0.000 0.436 285 F N 0.971 120.972 119.950 0.085 0.000 2.075 285 F HA -0.106 4.421 4.527 -0.001 0.000 0.297 285 F C 2.149 177.912 175.800 -0.061 0.000 1.113 285 F CA 1.682 59.703 58.000 0.035 0.000 1.218 285 F CB -0.536 38.464 39.000 -0.000 0.000 0.984 285 F HN 0.113 nan 8.300 nan 0.000 0.472 286 A N 0.065 122.868 122.820 -0.028 0.000 1.902 286 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 286 A C 2.148 179.670 177.584 -0.102 0.000 1.181 286 A CA 1.719 53.585 52.037 -0.285 0.000 0.623 286 A CB -0.787 17.564 19.000 -1.082 0.000 0.818 286 A HN 0.531 nan 8.150 nan 0.000 0.443 287 Q N -0.593 119.182 119.800 -0.041 0.000 2.079 287 Q HA -0.158 4.181 4.340 -0.001 0.000 0.200 287 Q C 2.075 178.067 176.000 -0.014 0.000 0.974 287 Q CA 1.809 57.618 55.803 0.011 0.000 0.840 287 Q CB -0.346 28.404 28.738 0.020 0.000 0.898 287 Q HN 0.620 nan 8.270 nan 0.000 0.430 288 K N 1.063 121.437 120.400 -0.044 0.000 2.103 288 K HA 0.009 4.328 4.320 -0.001 0.000 0.204 288 K C 1.863 178.394 176.600 -0.115 0.000 1.052 288 K CA 1.198 57.437 56.287 -0.080 0.000 0.945 288 K CB -0.443 32.008 32.500 -0.083 0.000 0.722 288 K HN 0.122 nan 8.250 nan 0.000 0.443 289 A N 0.830 123.582 122.820 -0.115 0.000 1.908 289 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 289 A C 2.122 179.832 177.584 0.211 0.000 1.181 289 A CA 1.735 53.792 52.037 0.033 0.000 0.627 289 A CB -0.460 18.587 19.000 0.079 0.000 0.818 289 A HN 0.352 nan 8.150 nan 0.000 0.445 290 R N -0.692 119.915 120.500 0.179 0.000 2.092 290 R HA -0.108 4.231 4.340 -0.001 0.000 0.231 290 R C 2.467 178.779 176.300 0.020 0.000 1.119 290 R CA 1.497 57.697 56.100 0.166 0.000 0.970 290 R CB -0.302 30.064 30.300 0.111 0.000 0.864 290 R HN 0.684 nan 8.270 nan 0.000 0.440 291 Q N -0.067 119.717 119.800 -0.026 0.000 2.124 291 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 291 Q C 2.111 178.035 176.000 -0.127 0.000 0.977 291 Q CA 1.520 57.281 55.803 -0.070 0.000 0.850 291 Q CB 0.086 28.780 28.738 -0.073 0.000 0.901 291 Q HN 0.200 nan 8.270 nan 0.000 0.429 292 V N -0.629 119.151 119.914 -0.222 0.000 2.379 292 V HA -0.125 3.995 4.120 -0.001 0.000 0.243 292 V C 1.482 177.306 176.094 -0.451 0.000 1.035 292 V CA 1.416 63.458 62.300 -0.431 0.000 1.035 292 V CB -0.273 31.116 31.823 -0.723 0.000 0.673 292 V HN 0.223 nan 8.190 nan 0.000 0.457 293 F N -0.513 119.446 119.950 0.016 0.000 2.698 293 F HA 0.252 4.779 4.527 -0.001 0.000 0.295 293 F C 2.290 178.179 175.800 0.148 0.000 1.124 293 F CA 0.643 58.719 58.000 0.127 0.000 1.426 293 F CB -0.066 39.085 39.000 0.252 0.000 1.120 293 F HN -0.063 nan 8.300 nan 0.000 0.583 294 R N 0.020 120.581 120.500 0.103 0.000 2.107 294 R HA 0.047 4.387 4.340 -0.001 0.000 0.195 294 R C 1.130 177.343 176.300 -0.145 0.000 1.214 294 R CA 0.742 56.709 56.100 -0.221 0.000 1.129 294 R CB 0.035 29.884 30.300 -0.751 0.000 1.045 294 R HN -0.009 nan 8.270 nan 0.000 0.489 295 D N 0.361 120.690 120.400 -0.119 0.000 2.346 295 D HA -0.048 4.591 4.640 -0.001 0.000 0.206 295 D C -0.063 176.201 176.300 -0.060 0.000 1.001 295 D CA 0.407 54.355 54.000 -0.087 0.000 0.871 295 D CB -0.159 40.597 40.800 -0.074 0.000 0.943 295 D HN 0.227 nan 8.370 nan 0.000 0.518 296 N N 0.500 119.162 118.700 -0.063 0.000 2.738 296 N HA -0.176 4.563 4.740 -0.001 0.000 0.249 296 N C 0.228 175.706 175.510 -0.054 0.000 1.047 296 N CA 1.136 54.150 53.050 -0.060 0.000 0.707 296 N CB -1.562 36.902 38.487 -0.038 0.000 0.937 296 N HN 0.221 nan 8.380 nan 0.000 0.545 297 T N -4.358 110.160 114.554 -0.059 0.000 3.054 297 T HA 0.301 4.651 4.350 -0.001 0.000 0.255 297 T C 0.157 174.826 174.700 -0.051 0.000 1.035 297 T CA 0.070 62.143 62.100 -0.046 0.000 0.941 297 T CB 0.626 69.472 68.868 -0.037 0.000 1.026 297 T HN 0.298 nan 8.240 nan 0.000 0.533 298 D N 0.931 121.287 120.400 -0.074 0.000 2.639 298 D HA 0.399 5.038 4.640 -0.001 0.000 0.271 298 D C -1.337 174.900 176.300 -0.106 0.000 1.254 298 D CA -0.542 53.414 54.000 -0.073 0.000 0.810 298 D CB 1.947 42.700 40.800 -0.078 0.000 1.351 298 D HN 0.271 nan 8.370 nan 0.000 0.427 299 N N -0.218 118.433 118.700 -0.082 0.000 2.906 299 N HA 0.254 4.994 4.740 -0.001 0.000 0.327 299 N C 0.873 176.289 175.510 -0.157 0.000 1.344 299 N CA -0.464 52.522 53.050 -0.107 0.000 0.823 299 N CB 0.220 38.694 38.487 -0.022 0.000 1.351 299 N HN 0.188 nan 8.380 nan 0.000 0.604 300 M N -0.854 118.623 119.600 -0.204 0.000 2.279 300 M HA -0.049 4.431 4.480 -0.001 0.000 0.264 300 M C 1.072 177.204 176.300 -0.279 0.000 1.062 300 M CA 1.392 56.523 55.300 -0.280 0.000 1.099 300 M CB -1.329 31.096 32.600 -0.292 0.000 1.394 300 M HN 0.521 nan 8.290 nan 0.000 0.426 301 Y N 0.037 120.294 120.300 -0.073 0.000 2.293 301 Y HA -0.059 4.491 4.550 -0.001 0.000 0.291 301 Y C 2.588 178.452 175.900 -0.059 0.000 1.137 301 Y CA 1.443 59.510 58.100 -0.055 0.000 1.202 301 Y CB -1.221 37.208 38.460 -0.051 0.000 0.990 301 Y HN 0.297 nan 8.280 nan 0.000 0.537 302 G N -0.508 108.324 108.800 0.054 0.000 2.408 302 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 302 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 302 G C 1.658 176.528 174.900 -0.049 0.000 1.150 302 G CA 0.847 45.944 45.100 -0.005 0.000 0.776 302 G HN 0.332 nan 8.290 nan 0.000 0.542 303 L N 0.698 121.850 121.223 -0.118 0.000 2.017 303 L HA 0.079 4.419 4.340 -0.001 0.000 0.208 303 L C 2.734 179.573 176.870 -0.051 0.000 1.073 303 L CA 2.321 57.073 54.840 -0.148 0.000 0.745 303 L CB -0.421 41.462 42.059 -0.293 0.000 0.894 303 L HN 0.254 nan 8.230 nan 0.000 0.432 304 K N -0.650 119.728 120.400 -0.036 0.000 2.009 304 K HA -0.218 4.101 4.320 -0.001 0.000 0.210 304 K C 1.960 178.587 176.600 0.045 0.000 1.049 304 K CA 1.619 57.917 56.287 0.018 0.000 0.929 304 K CB -0.307 32.208 32.500 0.025 0.000 0.714 304 K HN 0.401 nan 8.250 nan 0.000 0.440 305 A N 1.527 124.376 122.820 0.049 0.000 1.972 305 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 305 A C 2.124 179.732 177.584 0.041 0.000 1.169 305 A CA 1.534 53.599 52.037 0.046 0.000 0.635 305 A CB -0.537 18.488 19.000 0.041 0.000 0.810 305 A HN 0.505 nan 8.150 nan 0.000 0.446 306 M N -0.244 119.379 119.600 0.039 0.000 2.132 306 M HA -0.019 4.460 4.480 -0.001 0.000 0.263 306 M C 1.855 178.220 176.300 0.107 0.000 1.065 306 M CA 1.657 56.996 55.300 0.065 0.000 1.122 306 M CB -0.837 31.791 32.600 0.047 0.000 1.365 306 M HN 0.406 nan 8.290 nan 0.000 0.411 307 L N -0.104 121.179 121.223 0.100 0.000 2.109 307 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 307 L C 2.248 179.170 176.870 0.086 0.000 1.086 307 L CA 1.121 56.032 54.840 0.118 0.000 0.760 307 L CB -0.513 41.597 42.059 0.085 0.000 0.910 307 L HN 0.328 nan 8.230 nan 0.000 0.437 308 E N -0.117 120.121 120.200 0.064 0.000 2.072 308 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 308 E C 2.235 178.860 176.600 0.042 0.000 0.982 308 E CA 0.969 57.398 56.400 0.049 0.000 0.803 308 E CB -0.237 29.491 29.700 0.047 0.000 0.755 308 E HN 0.506 nan 8.360 nan 0.000 0.453 309 G N 0.994 109.816 108.800 0.036 0.000 2.402 309 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.216 309 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.216 309 G C 1.720 176.619 174.900 -0.002 0.000 1.162 309 G CA 1.045 46.147 45.100 0.003 0.000 0.777 309 G HN 0.372 nan 8.290 nan 0.000 0.539 310 S N 0.150 115.892 115.700 0.070 0.000 2.453 310 S HA -0.017 4.452 4.470 -0.001 0.000 0.231 310 S C 1.923 176.652 174.600 0.215 0.000 1.005 310 S CA 1.452 59.734 58.200 0.137 0.000 0.949 310 S CB -0.113 63.299 63.200 0.354 0.000 0.774 310 S HN 0.518 nan 8.310 nan 0.000 0.510 311 E N 0.397 120.685 120.200 0.146 0.000 2.265 311 E HA -0.072 4.277 4.350 -0.001 0.000 0.196 311 E C 1.482 178.134 176.600 0.087 0.000 0.996 311 E CA 1.057 57.530 56.400 0.122 0.000 0.832 311 E CB 0.038 29.780 29.700 0.070 0.000 0.756 311 E HN 0.505 nan 8.360 nan 0.000 0.491 312 V N 0.562 120.499 119.914 0.039 0.000 2.672 312 V HA -0.102 4.017 4.120 -0.001 0.000 0.242 312 V C 1.417 177.480 176.094 -0.051 0.000 1.059 312 V CA 1.231 63.528 62.300 -0.005 0.000 1.081 312 V CB -0.053 31.756 31.823 -0.023 0.000 0.752 312 V HN 0.157 nan 8.190 nan 0.000 0.472 313 D N -0.791 119.520 120.400 -0.148 0.000 2.178 313 D HA -0.078 4.561 4.640 -0.001 0.000 0.202 313 D C 0.340 176.503 176.300 -0.228 0.000 0.974 313 D CA 1.036 54.830 54.000 -0.343 0.000 0.841 313 D CB -0.162 40.192 40.800 -0.743 0.000 0.953 313 D HN 0.417 nan 8.370 nan 0.000 0.478 314 Y N 0.030 120.355 120.300 0.041 0.000 2.336 314 Y HA 0.401 4.950 4.550 -0.001 0.000 0.335 314 Y C 1.267 177.188 175.900 0.034 0.000 1.046 314 Y CA -0.781 57.378 58.100 0.097 0.000 1.198 314 Y CB 1.368 39.897 38.460 0.116 0.000 1.182 314 Y HN -0.176 nan 8.280 nan 0.000 0.502 315 A N 2.747 125.676 122.820 0.182 0.000 1.969 315 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 315 A C 0.644 178.254 177.584 0.044 0.000 1.169 315 A CA 1.133 53.215 52.037 0.074 0.000 0.635 315 A CB -0.183 18.847 19.000 0.051 0.000 0.810 315 A HN 0.764 nan 8.150 nan 0.000 0.445 316 Q N -1.180 118.681 119.800 0.102 0.000 2.798 316 Q HA 0.401 4.741 4.340 -0.001 0.000 0.250 316 Q C 0.285 176.331 176.000 0.077 0.000 1.006 316 Q CA -0.133 55.720 55.803 0.084 0.000 0.759 316 Q CB 1.308 30.137 28.738 0.152 0.000 1.201 316 Q HN 0.091 nan 8.270 nan 0.000 0.486 317 V N 1.539 121.499 119.914 0.076 0.000 2.759 317 V HA -0.184 3.936 4.120 -0.001 0.000 0.256 317 V C 0.857 176.917 176.094 -0.055 0.000 1.080 317 V CA 1.603 63.899 62.300 -0.007 0.000 1.101 317 V CB 0.078 31.963 31.823 0.103 0.000 0.698 317 V HN 0.695 nan 8.190 nan 0.000 0.477 318 N N 0.431 119.152 118.700 0.035 0.000 2.515 318 N HA -0.048 4.691 4.740 -0.001 0.000 0.185 318 N C 0.958 176.465 175.510 -0.004 0.000 1.109 318 N CA 0.856 53.921 53.050 0.025 0.000 0.903 318 N CB -0.086 38.483 38.487 0.136 0.000 0.969 318 N HN 0.520 nan 8.380 nan 0.000 0.450 319 D N -0.120 120.294 120.400 0.022 0.000 2.369 319 D HA 0.042 4.682 4.640 -0.001 0.000 0.211 319 D C -0.005 176.320 176.300 0.040 0.000 1.077 319 D CA 0.223 54.283 54.000 0.100 0.000 0.842 319 D CB 0.401 41.321 40.800 0.199 0.000 0.947 319 D HN 0.096 nan 8.370 nan 0.000 0.509 320 Q N 0.683 120.393 119.800 -0.150 0.000 2.261 320 Q HA 0.268 4.607 4.340 -0.001 0.000 0.252 320 Q C -0.052 175.821 176.000 -0.210 0.000 0.915 320 Q CA -0.423 55.235 55.803 -0.242 0.000 0.915 320 Q CB 2.193 30.614 28.738 -0.528 0.000 1.204 320 Q HN -0.119 nan 8.270 nan 0.000 0.421 321 V N 3.367 123.167 119.914 -0.189 0.000 2.385 321 V HA 0.241 4.361 4.120 -0.001 0.000 0.269 321 V C 0.594 176.665 176.094 -0.039 0.000 1.043 321 V CA -0.366 61.808 62.300 -0.210 0.000 0.906 321 V CB 0.734 32.250 31.823 -0.512 0.000 0.995 321 V HN 0.885 nan 8.190 nan 0.000 0.467 322 T N 2.791 117.255 114.554 -0.150 0.000 2.927 322 T HA 0.889 5.239 4.350 -0.001 0.000 0.281 322 T C -0.637 174.152 174.700 0.149 0.000 0.998 322 T CA -0.527 61.416 62.100 -0.262 0.000 1.019 322 T CB 1.775 70.024 68.868 -1.031 0.000 1.061 322 T HN 0.702 nan 8.240 nan 0.000 0.518 323 F N -1.344 118.621 119.950 0.024 0.000 2.842 323 F HA 0.535 5.062 4.527 -0.000 0.000 0.319 323 F C -0.175 175.753 175.800 0.214 0.000 1.159 323 F CA -1.452 56.611 58.000 0.106 0.000 0.902 323 F CB 0.527 39.574 39.000 0.078 0.000 1.311 323 F HN 0.554 nan 8.300 nan 0.000 0.453 324 I N -1.737 118.988 120.570 0.259 0.000 4.181 324 I HA 0.470 4.639 4.170 -0.001 0.000 0.331 324 I C -0.878 175.466 176.117 0.378 0.000 1.312 324 I CA 0.066 61.493 61.300 0.212 0.000 1.146 324 I CB 0.537 38.564 38.000 0.045 0.000 1.074 324 I HN 0.598 nan 8.210 nan 0.000 0.402 325 D N 0.554 121.235 120.400 0.468 0.000 2.671 325 D HA 0.441 5.080 4.640 -0.001 0.000 0.273 325 D C -0.999 175.420 176.300 0.197 0.000 1.264 325 D CA -0.650 53.587 54.000 0.394 0.000 0.788 325 D CB 0.902 41.903 40.800 0.335 0.000 1.324 325 D HN 0.242 nan 8.370 nan 0.000 0.424 326 N N -2.468 116.130 118.700 -0.170 0.000 3.449 326 N HA 0.114 4.854 4.740 -0.001 0.000 0.312 326 N C 0.749 175.749 175.510 -0.850 0.000 1.557 326 N CA -0.477 52.113 53.050 -0.767 0.000 0.864 326 N CB -0.219 37.993 38.487 -0.459 0.000 1.799 326 N HN 0.557 nan 8.380 nan 0.000 0.554 327 H N -1.736 116.880 119.070 -0.756 0.000 2.541 327 H HA 0.066 4.621 4.556 -0.001 0.000 0.289 327 H C -0.696 174.629 175.328 -0.006 0.000 1.054 327 H CA 1.164 57.074 56.048 -0.231 0.000 1.250 327 H CB -0.291 29.559 29.762 0.147 0.000 1.369 327 H HN 0.501 nan 8.280 nan 0.000 0.578 328 D N 0.414 120.565 120.400 -0.416 0.000 2.424 328 D HA 0.272 4.912 4.640 -0.001 0.000 0.220 328 D C 0.205 176.563 176.300 0.097 0.000 1.150 328 D CA 0.053 53.972 54.000 -0.135 0.000 0.831 328 D CB 0.468 41.213 40.800 -0.092 0.000 0.981 328 D HN 0.391 nan 8.370 nan 0.000 0.500 329 M N -0.185 119.468 119.600 0.088 0.000 2.575 329 M HA 0.288 4.768 4.480 -0.001 0.000 0.284 329 M C -0.330 176.038 176.300 0.114 0.000 1.253 329 M CA -0.838 54.566 55.300 0.174 0.000 0.861 329 M CB 2.781 35.542 32.600 0.267 0.000 1.733 329 M HN -0.306 nan 8.290 nan 0.000 0.462 330 E N 1.697 121.966 120.200 0.115 0.000 2.415 330 E HA 0.122 4.471 4.350 -0.001 0.000 0.262 330 E C -0.463 176.219 176.600 0.136 0.000 1.038 330 E CA -0.071 56.387 56.400 0.095 0.000 0.921 330 E CB 0.645 30.383 29.700 0.064 0.000 0.950 330 E HN 0.312 nan 8.360 nan 0.000 0.438 331 R N 1.779 122.366 120.500 0.147 0.000 2.640 331 R HA -0.067 4.272 4.340 -0.001 0.000 0.270 331 R C 0.922 177.361 176.300 0.231 0.000 1.024 331 R CA 0.103 56.331 56.100 0.213 0.000 1.085 331 R CB 0.166 30.574 30.300 0.180 0.000 0.963 331 R HN 0.612 nan 8.270 nan 0.000 0.426 332 F N 2.498 122.543 119.950 0.159 0.000 2.102 332 F HA -0.163 4.363 4.527 -0.001 0.000 0.298 332 F C 1.432 177.334 175.800 0.169 0.000 1.105 332 F CA 1.417 59.512 58.000 0.158 0.000 1.239 332 F CB -0.194 38.909 39.000 0.171 0.000 0.991 332 F HN 0.489 nan 8.300 nan 0.000 0.474 333 H N 1.344 120.650 119.070 0.393 0.000 2.899 333 H HA 0.170 4.726 4.556 -0.001 0.000 0.303 333 H C -0.151 175.261 175.328 0.139 0.000 1.042 333 H CA 0.363 56.584 56.048 0.287 0.000 1.479 333 H CB 0.497 30.440 29.762 0.301 0.000 1.493 333 H HN 0.260 nan 8.280 nan 0.000 0.534 334 T N 0.922 115.213 114.554 -0.438 0.000 2.937 334 T HA 0.157 4.506 4.350 -0.001 0.000 0.283 334 T C 1.496 175.928 174.700 -0.447 0.000 1.012 334 T CA -0.318 61.587 62.100 -0.324 0.000 0.997 334 T CB 1.282 70.041 68.868 -0.182 0.000 1.136 334 T HN 0.577 nan 8.240 nan 0.000 0.551 335 S N 1.120 116.693 115.700 -0.212 0.000 2.383 335 S HA -0.133 4.337 4.470 -0.001 0.000 0.227 335 S C 1.375 175.920 174.600 -0.091 0.000 1.026 335 S CA 0.921 59.043 58.200 -0.130 0.000 0.981 335 S CB -0.769 62.393 63.200 -0.063 0.000 0.818 335 S HN 0.907 nan 8.310 nan 0.000 0.472 336 N N 1.869 120.520 118.700 -0.082 0.000 2.320 336 N HA 0.262 5.002 4.740 -0.001 0.000 0.237 336 N C 0.103 175.596 175.510 -0.029 0.000 1.129 336 N CA -0.015 53.012 53.050 -0.039 0.000 0.854 336 N CB -0.159 38.311 38.487 -0.028 0.000 1.083 336 N HN 0.388 nan 8.380 nan 0.000 0.504 337 G N -0.498 108.267 108.800 -0.057 0.000 2.348 337 G HA2 0.180 4.139 3.960 -0.001 0.000 0.312 337 G HA3 0.180 4.139 3.960 -0.001 0.000 0.312 337 G C -0.778 174.215 174.900 0.157 0.000 1.126 337 G CA -0.450 44.661 45.100 0.019 0.000 0.865 337 G HN 0.154 nan 8.290 nan 0.000 0.474 338 D N 0.983 121.473 120.400 0.151 0.000 2.458 338 D HA 0.020 4.660 4.640 -0.001 0.000 0.243 338 D C 1.531 177.972 176.300 0.235 0.000 1.146 338 D CA -0.082 54.014 54.000 0.159 0.000 0.877 338 D CB 0.942 41.813 40.800 0.119 0.000 1.176 338 D HN 0.387 nan 8.370 nan 0.000 0.461 339 R N 2.524 123.121 120.500 0.163 0.000 2.152 339 R HA -0.159 4.180 4.340 -0.001 0.000 0.232 339 R C 1.825 178.234 176.300 0.181 0.000 1.117 339 R CA 0.699 56.866 56.100 0.112 0.000 0.981 339 R CB 0.052 30.248 30.300 -0.174 0.000 0.870 339 R HN 0.249 nan 8.270 nan 0.000 0.451 340 R N 1.687 122.271 120.500 0.139 0.000 2.152 340 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 340 R C 1.413 177.809 176.300 0.161 0.000 1.117 340 R CA 1.604 57.781 56.100 0.127 0.000 0.981 340 R CB -0.075 30.284 30.300 0.099 0.000 0.870 340 R HN 0.068 nan 8.270 nan 0.000 0.451 341 K N -0.400 120.143 120.400 0.238 0.000 2.057 341 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 341 K C 1.875 178.685 176.600 0.349 0.000 1.049 341 K CA 1.547 58.039 56.287 0.341 0.000 0.931 341 K CB -0.320 32.425 32.500 0.408 0.000 0.714 341 K HN 0.113 nan 8.250 nan 0.000 0.440 342 L N 1.698 123.130 121.223 0.349 0.000 2.056 342 L HA -0.153 4.186 4.340 -0.001 0.000 0.207 342 L C 1.676 178.489 176.870 -0.095 0.000 1.078 342 L CA 1.780 56.662 54.840 0.070 0.000 0.749 342 L CB -0.181 41.999 42.059 0.201 0.000 0.901 342 L HN 0.118 nan 8.230 nan 0.000 0.433 343 E N -0.818 119.393 120.200 0.019 0.000 2.110 343 E HA -0.255 4.095 4.350 -0.001 0.000 0.193 343 E C 2.183 178.730 176.600 -0.088 0.000 0.988 343 E CA 1.546 57.931 56.400 -0.024 0.000 0.804 343 E CB -0.166 29.563 29.700 0.048 0.000 0.745 343 E HN 0.646 nan 8.360 nan 0.000 0.458 344 Q N 0.121 119.862 119.800 -0.099 0.000 2.079 344 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 344 Q C 2.302 178.056 176.000 -0.410 0.000 0.974 344 Q CA 1.192 56.876 55.803 -0.198 0.000 0.840 344 Q CB -0.143 28.490 28.738 -0.175 0.000 0.898 344 Q HN 0.257 nan 8.270 nan 0.000 0.430 345 A N 0.860 123.370 122.820 -0.516 0.000 1.972 345 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 345 A C 2.042 179.457 177.584 -0.282 0.000 1.169 345 A CA 1.031 52.713 52.037 -0.591 0.000 0.635 345 A CB -0.550 18.028 19.000 -0.705 0.000 0.810 345 A HN 0.267 nan 8.150 nan 0.000 0.446 346 L N -1.048 120.023 121.223 -0.254 0.000 2.072 346 L HA -0.133 4.206 4.340 -0.001 0.000 0.205 346 L C 3.094 179.911 176.870 -0.089 0.000 1.079 346 L CA 0.925 55.678 54.840 -0.145 0.000 0.752 346 L CB -0.498 41.477 42.059 -0.141 0.000 0.906 346 L HN 0.426 nan 8.230 nan 0.000 0.436 347 A N -0.102 122.664 122.820 -0.090 0.000 1.902 347 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 347 A C 2.160 179.761 177.584 0.028 0.000 1.181 347 A CA 1.525 53.533 52.037 -0.049 0.000 0.623 347 A CB -0.802 18.163 19.000 -0.059 0.000 0.818 347 A HN 0.408 nan 8.150 nan 0.000 0.443 348 F N 1.535 121.415 119.950 -0.118 0.000 2.102 348 F HA -0.141 4.386 4.527 -0.001 0.000 0.298 348 F C 2.392 178.265 175.800 0.122 0.000 1.105 348 F CA 2.286 60.294 58.000 0.013 0.000 1.239 348 F CB -0.811 38.074 39.000 -0.191 0.000 0.991 348 F HN 0.203 nan 8.300 nan 0.000 0.474 349 T N 1.414 115.933 114.554 -0.058 0.000 2.777 349 T HA -0.126 4.224 4.350 -0.001 0.000 0.266 349 T C 2.170 176.787 174.700 -0.139 0.000 1.040 349 T CA 1.638 63.698 62.100 -0.067 0.000 1.141 349 T CB -0.539 68.368 68.868 0.065 0.000 0.868 349 T HN 0.247 nan 8.240 nan 0.000 0.444 350 L N 1.415 122.583 121.223 -0.091 0.000 2.275 350 L HA -0.043 4.297 4.340 -0.001 0.000 0.215 350 L C 2.582 179.394 176.870 -0.097 0.000 1.119 350 L CA 1.264 56.047 54.840 -0.094 0.000 0.790 350 L CB -0.699 41.314 42.059 -0.077 0.000 0.919 350 L HN 0.433 nan 8.230 nan 0.000 0.443 351 T N -5.563 108.953 114.554 -0.064 0.000 3.105 351 T HA 0.183 4.532 4.350 -0.001 0.000 0.253 351 T C 0.758 175.462 174.700 0.008 0.000 1.047 351 T CA -0.292 61.804 62.100 -0.007 0.000 0.944 351 T CB 0.270 69.177 68.868 0.065 0.000 1.016 351 T HN -0.015 nan 8.240 nan 0.000 0.544 352 S N 2.323 117.934 115.700 -0.148 0.000 2.713 352 S HA 0.595 5.065 4.470 -0.001 0.000 0.283 352 S C 0.406 174.875 174.600 -0.218 0.000 1.161 352 S CA -1.066 56.997 58.200 -0.228 0.000 0.999 352 S CB 0.885 63.835 63.200 -0.417 0.000 1.039 352 S HN 0.609 nan 8.310 nan 0.000 0.548 353 R N 0.785 121.174 120.500 -0.185 0.000 2.738 353 R HA 0.586 4.925 4.340 -0.001 0.000 0.268 353 R C 0.601 176.747 176.300 -0.256 0.000 1.062 353 R CA 0.432 56.433 56.100 -0.165 0.000 1.158 353 R CB -1.377 28.872 30.300 -0.084 0.000 1.046 353 R HN 0.947 nan 8.270 nan 0.000 0.493 354 G N -0.265 108.405 108.800 -0.217 0.000 2.428 354 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.202 354 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.202 354 G C -1.546 173.208 174.900 -0.243 0.000 1.247 354 G CA -0.354 44.598 45.100 -0.247 0.000 1.020 354 G HN 0.686 nan 8.290 nan 0.000 0.529 355 V N 2.969 122.736 119.914 -0.244 0.000 2.349 355 V HA 0.536 4.656 4.120 -0.001 0.000 0.284 355 V C -1.920 174.068 176.094 -0.177 0.000 1.014 355 V CA -0.900 61.272 62.300 -0.212 0.000 0.826 355 V CB 1.800 33.478 31.823 -0.241 0.000 1.009 355 V HN 0.700 nan 8.190 nan 0.000 0.431 356 P HA 0.372 nan 4.420 nan 0.000 0.276 356 P C -0.714 176.607 177.300 0.035 0.000 1.230 356 P CA 0.011 63.061 63.100 -0.085 0.000 0.776 356 P CB 1.633 33.274 31.700 -0.097 0.000 0.888 357 A N 4.584 127.481 122.820 0.129 0.000 2.343 357 A HA 0.681 5.001 4.320 -0.001 0.000 0.316 357 A C -0.438 177.290 177.584 0.240 0.000 1.104 357 A CA -0.852 51.332 52.037 0.245 0.000 0.768 357 A CB 0.704 19.933 19.000 0.383 0.000 1.213 357 A HN 0.476 nan 8.150 nan 0.000 0.456 358 I N 2.284 122.983 120.570 0.214 0.000 2.378 358 I HA 0.217 4.386 4.170 -0.001 0.000 0.291 358 I C -0.863 175.318 176.117 0.107 0.000 0.992 358 I CA -0.684 60.718 61.300 0.171 0.000 1.154 358 I CB 1.457 39.563 38.000 0.177 0.000 1.315 358 I HN 0.713 nan 8.210 nan 0.000 0.448 359 Y N 8.271 128.542 120.300 -0.048 0.000 2.377 359 Y HA 0.123 4.673 4.550 -0.001 0.000 0.330 359 Y C 0.014 175.749 175.900 -0.273 0.000 1.108 359 Y CA -1.075 56.947 58.100 -0.130 0.000 1.308 359 Y CB 0.184 38.619 38.460 -0.042 0.000 1.216 359 Y HN 0.449 nan 8.280 nan 0.000 0.518 360 Y N 3.650 123.511 120.300 -0.732 0.000 2.903 360 Y HA 0.300 4.849 4.550 -0.001 0.000 0.338 360 Y C 1.128 176.842 175.900 -0.310 0.000 1.265 360 Y CA -0.390 57.310 58.100 -0.666 0.000 1.532 360 Y CB -0.086 38.095 38.460 -0.465 0.000 1.293 360 Y HN 0.922 nan 8.280 nan 0.000 0.609 361 G N 1.667 110.398 108.800 -0.115 0.000 2.179 361 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.260 361 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.260 361 G C 1.160 175.967 174.900 -0.156 0.000 0.977 361 G CA 0.566 45.561 45.100 -0.175 0.000 0.641 361 G HN 0.806 nan 8.290 nan 0.000 0.533 362 S N 1.102 116.723 115.700 -0.132 0.000 2.365 362 S HA -0.150 4.320 4.470 -0.001 0.000 0.225 362 S C 2.099 176.577 174.600 -0.203 0.000 1.039 362 S CA 1.836 59.975 58.200 -0.102 0.000 1.033 362 S CB -0.267 62.911 63.200 -0.038 0.000 0.887 362 S HN 0.890 nan 8.310 nan 0.000 0.447 363 E N 0.841 120.982 120.200 -0.099 0.000 2.463 363 E HA -0.143 4.206 4.350 -0.001 0.000 0.201 363 E C 0.665 177.165 176.600 -0.167 0.000 1.045 363 E CA 0.786 57.102 56.400 -0.139 0.000 0.872 363 E CB -0.182 29.569 29.700 0.085 0.000 0.797 363 E HN 0.431 nan 8.360 nan 0.000 0.538 364 Q N -0.275 119.456 119.800 -0.115 0.000 2.159 364 Q HA 0.085 4.425 4.340 -0.001 0.000 0.217 364 Q C -0.594 175.461 176.000 0.093 0.000 0.818 364 Q CA -0.483 55.330 55.803 0.016 0.000 1.008 364 Q CB -0.151 28.603 28.738 0.026 0.000 1.148 364 Q HN 0.331 nan 8.270 nan 0.000 0.491 365 Y N -0.845 119.446 120.300 -0.015 0.000 3.389 365 Y HA -0.279 4.271 4.550 -0.001 0.000 0.213 365 Y C 0.330 176.283 175.900 0.088 0.000 1.272 365 Y CA 0.177 58.246 58.100 -0.051 0.000 1.444 365 Y CB -2.443 35.891 38.460 -0.209 0.000 1.445 365 Y HN 0.220 nan 8.280 nan 0.000 0.583 366 M N 0.968 120.641 119.600 0.122 0.000 2.239 366 M HA 0.196 4.676 4.480 -0.001 0.000 0.348 366 M C 0.643 177.044 176.300 0.167 0.000 1.239 366 M CA 0.745 56.099 55.300 0.089 0.000 1.114 366 M CB 0.545 33.105 32.600 -0.067 0.000 1.641 366 M HN 0.395 nan 8.290 nan 0.000 0.453 367 S N 1.543 117.328 115.700 0.141 0.000 2.648 367 S HA 1.008 5.478 4.470 -0.001 0.000 0.305 367 S C -0.236 174.393 174.600 0.048 0.000 1.094 367 S CA -0.658 57.601 58.200 0.098 0.000 0.983 367 S CB 2.210 65.431 63.200 0.035 0.000 1.101 367 S HN 1.023 nan 8.310 nan 0.000 0.514 368 G N -0.719 108.105 108.800 0.039 0.000 2.384 368 G HA2 0.523 4.482 3.960 -0.001 0.000 0.300 368 G HA3 0.523 4.482 3.960 -0.001 0.000 0.300 368 G C -0.248 174.672 174.900 0.033 0.000 1.582 368 G CA -0.337 44.780 45.100 0.028 0.000 0.875 368 G HN 0.967 nan 8.290 nan 0.000 0.628 369 G N -0.089 108.724 108.800 0.020 0.000 2.485 369 G HA2 0.448 4.408 3.960 -0.001 0.000 0.260 369 G HA3 0.448 4.408 3.960 -0.001 0.000 0.260 369 G C 0.319 175.237 174.900 0.030 0.000 1.459 369 G CA -0.573 44.540 45.100 0.021 0.000 1.060 369 G HN 0.680 nan 8.290 nan 0.000 0.546 370 N N 0.305 119.018 118.700 0.021 0.000 2.354 370 N HA 0.050 4.790 4.740 -0.001 0.000 0.246 370 N C 0.002 175.520 175.510 0.013 0.000 1.285 370 N CA -0.259 52.802 53.050 0.017 0.000 0.925 370 N CB 0.414 38.900 38.487 -0.002 0.000 1.174 370 N HN 0.490 nan 8.380 nan 0.000 0.478 371 D N 0.851 121.260 120.400 0.015 0.000 2.923 371 D HA -0.099 4.541 4.640 -0.001 0.000 0.220 371 D C -1.508 174.805 176.300 0.022 0.000 1.099 371 D CA -0.344 53.674 54.000 0.030 0.000 0.807 371 D CB 0.529 41.347 40.800 0.030 0.000 1.155 371 D HN 0.325 nan 8.370 nan 0.000 0.524 372 P HA 0.116 nan 4.420 nan 0.000 0.268 372 P C 0.056 177.357 177.300 0.002 0.000 1.329 372 P CA -0.094 63.029 63.100 0.038 0.000 0.899 372 P CB 0.527 32.247 31.700 0.032 0.000 1.378 373 D N 1.297 121.699 120.400 0.004 0.000 2.312 373 D HA -0.081 4.558 4.640 -0.001 0.000 0.211 373 D C 1.066 177.373 176.300 0.013 0.000 0.964 373 D CA 0.819 54.818 54.000 -0.001 0.000 0.877 373 D CB -0.190 40.611 40.800 0.002 0.000 0.924 373 D HN 0.376 nan 8.370 nan 0.000 0.515 374 N N 0.142 118.863 118.700 0.035 0.000 2.322 374 N HA -0.029 4.711 4.740 -0.001 0.000 0.194 374 N C 0.473 176.031 175.510 0.081 0.000 1.126 374 N CA 0.025 53.126 53.050 0.084 0.000 0.845 374 N CB -0.011 38.554 38.487 0.129 0.000 0.976 374 N HN 0.005 nan 8.380 nan 0.000 0.475 375 R N -0.019 120.484 120.500 0.005 0.000 2.748 375 R HA 0.446 4.785 4.340 -0.001 0.000 0.395 375 R C -0.149 176.165 176.300 0.023 0.000 1.128 375 R CA -0.304 55.781 56.100 -0.024 0.000 1.042 375 R CB 0.835 31.018 30.300 -0.195 0.000 1.392 375 R HN 0.168 nan 8.270 nan 0.000 0.582 376 A N 1.183 124.010 122.820 0.011 0.000 2.366 376 A HA 0.174 4.493 4.320 -0.001 0.000 0.250 376 A C 0.136 177.767 177.584 0.079 0.000 1.099 376 A CA -0.269 51.770 52.037 0.003 0.000 0.794 376 A CB 0.259 19.245 19.000 -0.023 0.000 1.056 376 A HN 0.439 nan 8.150 nan 0.000 0.499 377 R N 0.086 120.608 120.500 0.036 0.000 2.543 377 R HA 0.274 4.614 4.340 -0.001 0.000 0.277 377 R C -0.474 175.856 176.300 0.049 0.000 1.074 377 R CA -0.660 55.479 56.100 0.065 0.000 1.076 377 R CB 0.013 30.315 30.300 0.004 0.000 0.993 377 R HN 0.605 nan 8.270 nan 0.000 0.459 378 L N 4.738 126.007 121.223 0.078 0.000 2.416 378 L HA 0.353 4.693 4.340 -0.001 0.000 0.272 378 L C -1.861 174.861 176.870 -0.247 0.000 1.161 378 L CA -1.945 52.846 54.840 -0.083 0.000 0.845 378 L CB -0.365 41.640 42.059 -0.089 0.000 1.119 378 L HN 0.589 nan 8.230 nan 0.000 0.464 379 P HA 0.057 nan 4.420 nan 0.000 0.235 379 P C 0.151 177.331 177.300 -0.201 0.000 1.177 379 P CA 0.368 63.373 63.100 -0.160 0.000 0.785 379 P CB 0.852 32.502 31.700 -0.082 0.000 0.885 380 S N -1.176 114.326 115.700 -0.331 0.000 2.547 380 S HA 0.541 5.011 4.470 -0.001 0.000 0.270 380 S C -1.519 172.788 174.600 -0.487 0.000 1.150 380 S CA -0.539 57.505 58.200 -0.260 0.000 0.850 380 S CB 0.372 63.516 63.200 -0.094 0.000 1.118 380 S HN -0.178 nan 8.310 nan 0.000 0.461 381 F N 2.260 122.109 119.950 -0.168 0.000 2.908 381 F HA 0.401 4.928 4.527 -0.001 0.000 0.328 381 F C 1.007 176.797 175.800 -0.017 0.000 1.211 381 F CA -0.364 57.439 58.000 -0.329 0.000 1.291 381 F CB 0.882 39.545 39.000 -0.562 0.000 0.962 381 F HN 0.494 nan 8.300 nan 0.000 0.505 382 S N 0.539 116.323 115.700 0.140 0.000 2.516 382 S HA 0.075 4.544 4.470 -0.001 0.000 0.282 382 S C 1.372 175.945 174.600 -0.045 0.000 1.286 382 S CA 0.112 58.352 58.200 0.066 0.000 1.066 382 S CB 0.382 63.604 63.200 0.038 0.000 0.884 382 S HN 0.505 nan 8.310 nan 0.000 0.491 383 T N 0.801 115.199 114.554 -0.262 0.000 3.188 383 T HA 0.092 4.442 4.350 -0.001 0.000 0.250 383 T C 1.075 175.411 174.700 -0.607 0.000 1.077 383 T CA 0.393 61.941 62.100 -0.921 0.000 0.967 383 T CB -0.408 68.079 68.868 -0.635 0.000 1.006 383 T HN 0.674 nan 8.240 nan 0.000 0.552 384 T N -0.694 113.724 114.554 -0.226 0.000 3.132 384 T HA 0.223 4.572 4.350 -0.001 0.000 0.274 384 T C 0.802 175.517 174.700 0.025 0.000 1.011 384 T CA -0.140 61.913 62.100 -0.077 0.000 0.899 384 T CB -0.309 68.535 68.868 -0.039 0.000 1.089 384 T HN 0.513 nan 8.240 nan 0.000 0.543 385 T N -0.368 114.234 114.554 0.079 0.000 2.860 385 T HA 0.211 4.561 4.350 -0.001 0.000 0.299 385 T C 1.425 176.243 174.700 0.196 0.000 1.045 385 T CA -0.061 62.153 62.100 0.190 0.000 1.071 385 T CB 0.930 69.970 68.868 0.287 0.000 0.985 385 T HN 0.069 nan 8.240 nan 0.000 0.537 386 T N 1.717 116.402 114.554 0.218 0.000 2.746 386 T HA -0.041 4.308 4.350 -0.001 0.000 0.267 386 T C 2.410 177.193 174.700 0.139 0.000 1.039 386 T CA 1.311 63.510 62.100 0.165 0.000 1.142 386 T CB -0.788 68.178 68.868 0.164 0.000 0.866 386 T HN 0.822 nan 8.240 nan 0.000 0.444 387 A N 0.410 123.310 122.820 0.133 0.000 1.933 387 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 387 A C 2.083 179.662 177.584 -0.008 0.000 1.175 387 A CA 1.374 53.383 52.037 -0.047 0.000 0.628 387 A CB -0.957 17.807 19.000 -0.393 0.000 0.814 387 A HN 0.582 nan 8.150 nan 0.000 0.444 388 Y N 0.519 120.781 120.300 -0.063 0.000 2.181 388 Y HA -0.219 4.331 4.550 -0.001 0.000 0.288 388 Y C 2.515 178.381 175.900 -0.056 0.000 1.146 388 Y CA 2.249 60.312 58.100 -0.062 0.000 1.164 388 Y CB -0.305 38.133 38.460 -0.035 0.000 0.982 388 Y HN 0.436 nan 8.280 nan 0.000 0.515 389 Q N -0.992 118.928 119.800 0.200 0.000 2.119 389 Q HA -0.156 4.183 4.340 -0.001 0.000 0.201 389 Q C 2.308 178.313 176.000 0.007 0.000 0.972 389 Q CA 1.701 57.569 55.803 0.110 0.000 0.847 389 Q CB -0.224 28.576 28.738 0.103 0.000 0.903 389 Q HN 0.376 nan 8.270 nan 0.000 0.433 390 V N 1.091 120.997 119.914 -0.012 0.000 2.295 390 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 390 V C 2.105 178.147 176.094 -0.087 0.000 1.049 390 V CA 1.697 63.968 62.300 -0.048 0.000 1.024 390 V CB -0.429 31.367 31.823 -0.046 0.000 0.648 390 V HN 0.343 nan 8.190 nan 0.000 0.447 391 I N -0.319 120.175 120.570 -0.127 0.000 2.252 391 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 391 I C 2.638 178.645 176.117 -0.183 0.000 1.102 391 I CA 1.745 62.947 61.300 -0.164 0.000 1.385 391 I CB -0.462 37.409 38.000 -0.215 0.000 1.064 391 I HN 0.376 nan 8.210 nan 0.000 0.414 392 Q N 1.610 121.281 119.800 -0.215 0.000 2.096 392 Q HA -0.263 4.077 4.340 -0.001 0.000 0.204 392 Q C 2.102 178.042 176.000 -0.099 0.000 0.982 392 Q CA 1.843 57.543 55.803 -0.171 0.000 0.850 392 Q CB 0.081 28.756 28.738 -0.105 0.000 0.901 392 Q HN 0.454 nan 8.270 nan 0.000 0.422 393 K N -0.328 120.026 120.400 -0.076 0.000 2.076 393 K HA -0.009 4.311 4.320 -0.001 0.000 0.204 393 K C 2.069 178.625 176.600 -0.074 0.000 1.051 393 K CA 0.948 57.198 56.287 -0.062 0.000 0.949 393 K CB 0.148 32.617 32.500 -0.051 0.000 0.726 393 K HN 0.250 nan 8.250 nan 0.000 0.443 394 L N -0.045 121.127 121.223 -0.085 0.000 2.202 394 L HA 0.073 4.412 4.340 -0.001 0.000 0.205 394 L C 2.494 179.309 176.870 -0.092 0.000 1.083 394 L CA 0.405 55.193 54.840 -0.087 0.000 0.790 394 L CB -0.419 41.588 42.059 -0.086 0.000 0.942 394 L HN 0.114 nan 8.230 nan 0.000 0.452 395 A N 1.163 123.922 122.820 -0.101 0.000 1.908 395 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 395 A C -0.140 177.381 177.584 -0.104 0.000 1.181 395 A CA 1.680 53.655 52.037 -0.103 0.000 0.627 395 A CB -1.752 17.181 19.000 -0.111 0.000 0.818 395 A HN 0.273 nan 8.150 nan 0.000 0.445 396 P HA -0.105 nan 4.420 nan 0.000 0.221 396 P C 1.139 178.382 177.300 -0.094 0.000 1.145 396 P CA 0.709 63.755 63.100 -0.090 0.000 0.795 396 P CB -0.149 31.506 31.700 -0.075 0.000 0.775 397 L N -1.317 119.850 121.223 -0.093 0.000 2.362 397 L HA -0.068 4.271 4.340 -0.001 0.000 0.219 397 L C 2.473 179.269 176.870 -0.124 0.000 1.134 397 L CA 0.905 55.690 54.840 -0.093 0.000 0.807 397 L CB -0.564 41.447 42.059 -0.079 0.000 0.927 397 L HN -0.030 nan 8.230 nan 0.000 0.447 398 R N 0.220 120.633 120.500 -0.145 0.000 2.115 398 R HA -0.075 4.264 4.340 -0.001 0.000 0.230 398 R C 2.085 178.254 176.300 -0.219 0.000 1.111 398 R CA 0.773 56.753 56.100 -0.199 0.000 0.976 398 R CB -0.035 30.147 30.300 -0.197 0.000 0.870 398 R HN 0.297 nan 8.270 nan 0.000 0.445 399 K N 0.205 120.504 120.400 -0.169 0.000 2.137 399 K HA -0.002 4.318 4.320 -0.001 0.000 0.202 399 K C 2.069 178.590 176.600 -0.132 0.000 1.052 399 K CA 1.416 57.609 56.287 -0.157 0.000 0.961 399 K CB -0.009 32.414 32.500 -0.127 0.000 0.741 399 K HN 0.164 nan 8.250 nan 0.000 0.452 400 S N 0.278 115.911 115.700 -0.112 0.000 2.486 400 S HA 0.039 4.508 4.470 -0.001 0.000 0.220 400 S C 0.764 175.313 174.600 -0.085 0.000 1.011 400 S CA -0.077 58.070 58.200 -0.088 0.000 0.921 400 S CB -0.022 63.134 63.200 -0.072 0.000 0.785 400 S HN 0.047 nan 8.310 nan 0.000 0.517 401 N N 2.369 121.010 118.700 -0.100 0.000 2.569 401 N HA 0.372 5.112 4.740 -0.001 0.000 0.254 401 N C -2.286 173.155 175.510 -0.114 0.000 1.004 401 N CA -2.263 50.741 53.050 -0.077 0.000 0.904 401 N CB 1.915 40.369 38.487 -0.056 0.000 1.165 401 N HN -0.000 nan 8.380 nan 0.000 0.513 402 P HA -0.115 nan 4.420 nan 0.000 0.223 402 P C 0.841 178.058 177.300 -0.138 0.000 1.144 402 P CA 0.726 63.740 63.100 -0.142 0.000 0.783 402 P CB 0.385 32.124 31.700 0.065 0.000 0.771 403 A N -0.170 122.673 122.820 0.039 0.000 1.968 403 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 403 A C 2.303 179.891 177.584 0.005 0.000 1.169 403 A CA 0.925 53.034 52.037 0.121 0.000 0.638 403 A CB -1.255 17.845 19.000 0.168 0.000 0.812 403 A HN 0.131 nan 8.150 nan 0.000 0.446 404 I N -0.553 119.974 120.570 -0.072 0.000 2.333 404 I HA -0.179 3.990 4.170 -0.001 0.000 0.246 404 I C 2.917 178.892 176.117 -0.235 0.000 1.106 404 I CA 0.906 62.142 61.300 -0.106 0.000 1.411 404 I CB -0.248 37.691 38.000 -0.103 0.000 1.082 404 I HN 0.338 nan 8.210 nan 0.000 0.420 405 A N 0.110 122.682 122.820 -0.414 0.000 1.930 405 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 405 A C 1.617 178.738 177.584 -0.772 0.000 1.175 405 A CA 1.728 53.337 52.037 -0.713 0.000 0.627 405 A CB -0.450 17.864 19.000 -1.143 0.000 0.815 405 A HN 0.525 nan 8.150 nan 0.000 0.443 406 Y N -1.478 118.613 120.300 -0.348 0.000 2.499 406 Y HA 0.354 4.903 4.550 -0.001 0.000 0.253 406 Y C 1.509 177.334 175.900 -0.126 0.000 1.105 406 Y CA -0.863 57.016 58.100 -0.369 0.000 1.240 406 Y CB -0.497 37.439 38.460 -0.875 0.000 1.289 406 Y HN 0.233 nan 8.280 nan 0.000 0.534 407 G N 0.974 109.835 108.800 0.102 0.000 2.606 407 G HA2 0.364 4.323 3.960 -0.001 0.000 0.252 407 G HA3 0.364 4.323 3.960 -0.001 0.000 0.252 407 G C 0.295 175.311 174.900 0.193 0.000 1.206 407 G CA -0.071 45.196 45.100 0.279 0.000 0.861 407 G HN 0.219 nan 8.290 nan 0.000 0.561 408 S N -0.885 114.942 115.700 0.211 0.000 2.634 408 S HA 0.573 5.042 4.470 -0.001 0.000 0.261 408 S C 0.032 174.522 174.600 -0.183 0.000 1.271 408 S CA -0.383 57.832 58.200 0.024 0.000 0.985 408 S CB 1.339 64.575 63.200 0.060 0.000 0.968 408 S HN 0.575 nan 8.310 nan 0.000 0.568 409 T N 1.576 115.899 114.554 -0.385 0.000 2.824 409 T HA 0.566 4.916 4.350 -0.001 0.000 0.282 409 T C -1.511 172.904 174.700 -0.476 0.000 0.993 409 T CA -0.497 61.434 62.100 -0.282 0.000 0.967 409 T CB 0.688 69.501 68.868 -0.092 0.000 0.960 409 T HN 0.763 nan 8.240 nan 0.000 0.441 410 H N 0.237 119.425 119.070 0.197 0.000 2.840 410 H HA 0.391 4.947 4.556 -0.001 0.000 0.340 410 H C -0.440 175.015 175.328 0.211 0.000 1.004 410 H CA -0.825 55.326 56.048 0.170 0.000 1.288 410 H CB 1.094 30.944 29.762 0.147 0.000 1.607 410 H HN 0.436 nan 8.280 nan 0.000 0.522 411 E N 3.085 123.447 120.200 0.269 0.000 2.290 411 E HA 0.053 4.402 4.350 -0.001 0.000 0.277 411 E C 0.105 176.850 176.600 0.243 0.000 1.035 411 E CA -0.222 56.334 56.400 0.260 0.000 0.873 411 E CB 0.496 30.300 29.700 0.173 0.000 1.029 411 E HN 0.600 nan 8.360 nan 0.000 0.419 412 R N 3.327 123.989 120.500 0.270 0.000 2.254 412 R HA 0.130 4.470 4.340 -0.001 0.000 0.193 412 R C -0.143 176.340 176.300 0.305 0.000 0.929 412 R CA 0.278 56.527 56.100 0.248 0.000 1.038 412 R CB 0.267 30.713 30.300 0.242 0.000 1.009 412 R HN 0.580 nan 8.270 nan 0.000 0.512 413 W N -0.287 121.072 121.300 0.099 0.000 3.296 413 W HA 0.595 5.254 4.660 -0.000 0.000 0.314 413 W C -1.607 174.933 176.519 0.035 0.000 1.238 413 W CA -0.640 56.741 57.345 0.060 0.000 1.193 413 W CB 1.334 30.824 29.460 0.050 0.000 1.383 413 W HN -0.173 nan 8.180 nan 0.000 0.545 414 I N 5.137 125.603 120.570 -0.174 0.000 2.882 414 I HA 0.432 4.602 4.170 -0.001 0.000 0.298 414 I C -1.486 174.371 176.117 -0.434 0.000 1.462 414 I CA -0.507 60.700 61.300 -0.154 0.000 1.000 414 I CB 1.600 39.440 38.000 -0.267 0.000 1.340 414 I HN 0.659 nan 8.210 nan 0.000 0.462 415 N N 2.957 121.518 118.700 -0.230 0.000 3.522 415 N HA 0.333 5.073 4.740 -0.001 0.000 0.328 415 N C -0.510 174.905 175.510 -0.158 0.000 1.623 415 N CA -0.598 52.355 53.050 -0.163 0.000 0.812 415 N CB 0.014 38.496 38.487 -0.008 0.000 2.008 415 N HN 0.443 nan 8.380 nan 0.000 0.601 416 N N -0.406 118.294 118.700 -0.001 0.000 2.289 416 N HA -0.037 4.703 4.740 -0.001 0.000 0.184 416 N C -0.347 175.137 175.510 -0.043 0.000 1.016 416 N CA 1.232 54.283 53.050 0.003 0.000 0.872 416 N CB -0.165 38.360 38.487 0.063 0.000 0.973 416 N HN 0.511 nan 8.380 nan 0.000 0.433 417 D N -0.808 119.590 120.400 -0.003 0.000 2.474 417 D HA 0.161 4.801 4.640 -0.001 0.000 0.213 417 D C -0.298 176.028 176.300 0.042 0.000 1.120 417 D CA 0.147 54.150 54.000 0.006 0.000 0.836 417 D CB 1.493 42.316 40.800 0.038 0.000 1.019 417 D HN -0.112 nan 8.370 nan 0.000 0.507 418 V N 1.699 121.664 119.914 0.085 0.000 2.656 418 V HA 0.496 4.616 4.120 -0.001 0.000 0.307 418 V C -0.444 175.750 176.094 0.167 0.000 1.051 418 V CA -0.866 61.533 62.300 0.165 0.000 0.893 418 V CB 3.082 35.072 31.823 0.278 0.000 0.999 418 V HN -0.070 nan 8.190 nan 0.000 0.426 419 I N 4.533 125.219 120.570 0.194 0.000 2.686 419 I HA 0.617 4.787 4.170 -0.001 0.000 0.295 419 I C -1.491 174.807 176.117 0.302 0.000 1.114 419 I CA -0.740 60.703 61.300 0.239 0.000 1.038 419 I CB 2.076 40.197 38.000 0.201 0.000 1.238 419 I HN 0.559 nan 8.210 nan 0.000 0.420 420 I N 7.827 128.598 120.570 0.335 0.000 2.439 420 I HA 0.334 4.504 4.170 -0.001 0.000 0.285 420 I C -1.333 174.963 176.117 0.299 0.000 1.021 420 I CA -0.616 60.839 61.300 0.258 0.000 1.091 420 I CB 1.482 39.657 38.000 0.293 0.000 1.242 420 I HN 0.450 nan 8.210 nan 0.000 0.439 421 Y N 3.158 123.604 120.300 0.243 0.000 2.562 421 Y HA 0.762 5.312 4.550 -0.001 0.000 0.343 421 Y C -0.679 175.360 175.900 0.233 0.000 1.025 421 Y CA -1.257 56.983 58.100 0.234 0.000 1.082 421 Y CB 1.134 39.728 38.460 0.224 0.000 1.264 421 Y HN 0.481 nan 8.280 nan 0.000 0.478 422 E N 2.045 122.503 120.200 0.430 0.000 2.212 422 E HA 0.498 4.847 4.350 -0.001 0.000 0.268 422 E C -1.177 175.720 176.600 0.495 0.000 0.902 422 E CA -1.156 55.461 56.400 0.362 0.000 0.779 422 E CB 1.128 31.000 29.700 0.288 0.000 1.172 422 E HN 0.638 nan 8.360 nan 0.000 0.409 423 R N 3.265 123.982 120.500 0.361 0.000 2.514 423 R HA 0.448 4.787 4.340 -0.001 0.000 0.301 423 R C -0.783 175.710 176.300 0.322 0.000 0.962 423 R CA -0.676 55.616 56.100 0.321 0.000 0.882 423 R CB 1.620 32.053 30.300 0.222 0.000 1.143 423 R HN 0.487 nan 8.270 nan 0.000 0.452 424 K N 2.203 122.845 120.400 0.403 0.000 2.482 424 K HA 0.454 4.773 4.320 -0.001 0.000 0.251 424 K C -1.785 175.043 176.600 0.379 0.000 0.936 424 K CA -0.582 55.905 56.287 0.334 0.000 0.791 424 K CB 1.427 34.092 32.500 0.274 0.000 1.213 424 K HN 0.409 nan 8.250 nan 0.000 0.428 425 F N 4.095 124.125 119.950 0.134 0.000 2.941 425 F HA 0.396 4.923 4.527 -0.001 0.000 0.359 425 F C 0.289 176.138 175.800 0.081 0.000 1.231 425 F CA 0.648 58.718 58.000 0.117 0.000 1.089 425 F CB 1.132 40.215 39.000 0.139 0.000 1.407 425 F HN 0.839 nan 8.300 nan 0.000 0.538 426 G N 5.213 113.895 108.800 -0.197 0.000 2.561 426 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.289 426 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.289 426 G C 0.567 175.468 174.900 0.000 0.000 1.169 426 G CA 0.432 45.438 45.100 -0.157 0.000 0.980 426 G HN 0.611 nan 8.290 nan 0.000 0.550 427 N N 2.436 121.164 118.700 0.046 0.000 2.235 427 N HA 0.089 4.828 4.740 -0.001 0.000 0.209 427 N C 0.064 175.685 175.510 0.186 0.000 1.122 427 N CA 0.028 53.148 53.050 0.116 0.000 0.845 427 N CB 0.015 38.586 38.487 0.140 0.000 1.004 427 N HN 0.476 nan 8.380 nan 0.000 0.499 428 N N 0.908 119.706 118.700 0.164 0.000 2.499 428 N HA 0.272 5.011 4.740 -0.001 0.000 0.281 428 N C -0.532 175.090 175.510 0.186 0.000 1.098 428 N CA 0.014 53.161 53.050 0.162 0.000 0.979 428 N CB 2.376 40.956 38.487 0.155 0.000 1.121 428 N HN -0.229 nan 8.380 nan 0.000 0.466 429 V N 0.423 120.442 119.914 0.174 0.000 2.925 429 V HA 0.762 4.882 4.120 -0.001 0.000 0.311 429 V C -0.639 175.521 176.094 0.111 0.000 1.104 429 V CA -0.892 61.496 62.300 0.146 0.000 0.954 429 V CB 1.884 33.776 31.823 0.115 0.000 1.022 429 V HN 0.804 nan 8.190 nan 0.000 0.427 430 A N 3.012 125.896 122.820 0.106 0.000 2.422 430 A HA 0.927 5.247 4.320 -0.001 0.000 0.302 430 A C -1.388 176.244 177.584 0.080 0.000 1.041 430 A CA -0.569 51.513 52.037 0.074 0.000 0.708 430 A CB 2.019 21.050 19.000 0.052 0.000 1.257 430 A HN 0.733 nan 8.150 nan 0.000 0.414 431 V N 1.997 121.956 119.914 0.076 0.000 2.604 431 V HA 0.639 4.758 4.120 -0.001 0.000 0.305 431 V C -0.610 175.461 176.094 -0.038 0.000 1.043 431 V CA -0.531 61.824 62.300 0.093 0.000 0.888 431 V CB 1.735 33.700 31.823 0.237 0.000 0.995 431 V HN 0.725 nan 8.190 nan 0.000 0.429 432 V N 3.147 122.885 119.914 -0.294 0.000 2.638 432 V HA 0.861 4.980 4.120 -0.001 0.000 0.306 432 V C 0.017 175.905 176.094 -0.342 0.000 1.052 432 V CA -0.563 61.452 62.300 -0.474 0.000 0.885 432 V CB 1.847 33.209 31.823 -0.768 0.000 0.999 432 V HN 1.016 nan 8.190 nan 0.000 0.424 433 A N 5.394 128.084 122.820 -0.216 0.000 2.331 433 A HA 0.972 5.292 4.320 -0.001 0.000 0.320 433 A C -0.961 176.631 177.584 0.013 0.000 1.138 433 A CA -0.498 51.546 52.037 0.012 0.000 0.790 433 A CB 1.195 20.323 19.000 0.212 0.000 1.206 433 A HN 1.318 nan 8.150 nan 0.000 0.470 434 I N 0.677 121.313 120.570 0.110 0.000 2.569 434 I HA 0.486 4.656 4.170 -0.001 0.000 0.290 434 I C -0.956 175.254 176.117 0.155 0.000 1.088 434 I CA -0.516 60.861 61.300 0.129 0.000 1.047 434 I CB 2.143 40.251 38.000 0.181 0.000 1.237 434 I HN 0.604 nan 8.210 nan 0.000 0.421 435 N N 6.080 124.858 118.700 0.131 0.000 2.511 435 N HA 0.351 5.090 4.740 -0.001 0.000 0.249 435 N C 0.643 176.232 175.510 0.133 0.000 0.971 435 N CA -0.740 52.381 53.050 0.119 0.000 0.938 435 N CB 0.904 39.446 38.487 0.091 0.000 1.131 435 N HN 0.873 nan 8.380 nan 0.000 0.505 436 R N 2.310 122.895 120.500 0.142 0.000 2.299 436 R HA 0.049 4.388 4.340 -0.001 0.000 0.197 436 R C 0.085 176.450 176.300 0.108 0.000 0.971 436 R CA -0.036 56.162 56.100 0.163 0.000 1.030 436 R CB -0.114 30.271 30.300 0.141 0.000 0.932 436 R HN 0.356 nan 8.270 nan 0.000 0.477 437 N N 1.328 120.076 118.700 0.080 0.000 2.442 437 N HA 0.014 4.754 4.740 -0.001 0.000 0.265 437 N C 0.344 175.894 175.510 0.066 0.000 1.138 437 N CA -0.011 53.077 53.050 0.063 0.000 0.956 437 N CB 0.978 39.498 38.487 0.054 0.000 1.067 437 N HN 0.149 nan 8.380 nan 0.000 0.474 438 M N 2.921 122.559 119.600 0.063 0.000 2.495 438 M HA 0.056 4.536 4.480 -0.001 0.000 0.237 438 M C 0.405 176.734 176.300 0.048 0.000 1.131 438 M CA 0.531 55.867 55.300 0.061 0.000 1.032 438 M CB -0.778 31.860 32.600 0.063 0.000 1.513 438 M HN 0.533 nan 8.290 nan 0.000 0.488 439 N N -0.467 118.259 118.700 0.043 0.000 2.564 439 N HA 0.028 4.768 4.740 -0.001 0.000 0.202 439 N C -0.146 175.386 175.510 0.036 0.000 1.052 439 N CA 0.317 53.389 53.050 0.036 0.000 0.872 439 N CB 0.487 38.993 38.487 0.031 0.000 1.303 439 N HN 0.054 nan 8.380 nan 0.000 0.440 440 T N 3.486 118.063 114.554 0.039 0.000 2.767 440 T HA 0.321 4.670 4.350 -0.001 0.000 0.284 440 T C -2.643 172.081 174.700 0.040 0.000 0.973 440 T CA -1.444 60.678 62.100 0.038 0.000 0.996 440 T CB 1.922 70.813 68.868 0.039 0.000 0.927 440 T HN -0.014 nan 8.240 nan 0.000 0.456 441 P HA 0.382 nan 4.420 nan 0.000 0.272 441 P C -1.222 176.089 177.300 0.018 0.000 1.230 441 P CA -0.540 62.578 63.100 0.030 0.000 0.788 441 P CB 0.634 32.351 31.700 0.028 0.000 0.949 442 A N 1.503 124.318 122.820 -0.009 0.000 2.318 442 A HA 0.439 4.758 4.320 -0.001 0.000 0.317 442 A C 0.168 177.660 177.584 -0.154 0.000 1.159 442 A CA -0.617 51.392 52.037 -0.047 0.000 0.799 442 A CB 0.645 19.612 19.000 -0.055 0.000 1.194 442 A HN 0.447 nan 8.150 nan 0.000 0.479 443 S N 3.112 118.739 115.700 -0.122 0.000 2.422 443 S HA 0.408 4.878 4.470 -0.001 0.000 0.283 443 S C -0.065 174.309 174.600 -0.376 0.000 1.163 443 S CA -0.486 57.601 58.200 -0.188 0.000 1.054 443 S CB -0.575 62.587 63.200 -0.063 0.000 0.967 443 S HN 0.437 nan 8.310 nan 0.000 0.499 444 I N 6.058 126.196 120.570 -0.720 0.000 2.304 444 I HA 0.307 4.476 4.170 -0.001 0.000 0.291 444 I C 0.788 176.565 176.117 -0.567 0.000 1.018 444 I CA -0.232 60.426 61.300 -1.070 0.000 1.260 444 I CB 0.328 37.346 38.000 -1.636 0.000 1.390 444 I HN 0.689 nan 8.210 nan 0.000 0.475 445 T N 0.624 115.054 114.554 -0.207 0.000 2.876 445 T HA 0.673 5.022 4.350 -0.001 0.000 0.289 445 T C 0.587 175.378 174.700 0.151 0.000 1.014 445 T CA -0.207 61.883 62.100 -0.017 0.000 0.986 445 T CB 2.011 70.911 68.868 0.053 0.000 1.021 445 T HN 1.044 nan 8.240 nan 0.000 0.458 446 G N 0.881 109.743 108.800 0.103 0.000 2.147 446 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.244 446 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.244 446 G C -0.188 174.830 174.900 0.196 0.000 1.005 446 G CA 0.027 45.218 45.100 0.152 0.000 0.713 446 G HN 1.149 nan 8.290 nan 0.000 0.515 447 L N 0.997 122.300 121.223 0.132 0.000 2.360 447 L HA 0.675 5.015 4.340 -0.001 0.000 0.276 447 L C 0.198 177.131 176.870 0.104 0.000 1.121 447 L CA -0.465 54.467 54.840 0.153 0.000 0.845 447 L CB 1.479 43.571 42.059 0.055 0.000 1.143 447 L HN 0.102 nan 8.230 nan 0.000 0.452 448 V N 4.539 124.519 119.914 0.110 0.000 2.604 448 V HA 0.750 4.870 4.120 -0.001 0.000 0.305 448 V C 0.212 176.337 176.094 0.051 0.000 1.043 448 V CA -0.063 62.273 62.300 0.061 0.000 0.888 448 V CB 1.894 33.750 31.823 0.056 0.000 0.995 448 V HN 0.987 nan 8.190 nan 0.000 0.429 449 T N 0.148 114.710 114.554 0.013 0.000 2.831 449 T HA 0.391 4.741 4.350 -0.001 0.000 0.287 449 T C 0.402 175.084 174.700 -0.029 0.000 1.070 449 T CA -0.431 61.667 62.100 -0.002 0.000 1.010 449 T CB 1.895 70.744 68.868 -0.032 0.000 1.264 449 T HN 0.322 nan 8.240 nan 0.000 0.532 450 S N 0.000 115.676 115.700 -0.040 0.000 2.577 450 S HA 0.308 4.777 4.470 -0.001 0.000 0.219 450 S C 0.576 175.133 174.600 -0.073 0.000 0.962 450 S CA -0.479 57.692 58.200 -0.048 0.000 0.921 450 S CB -0.666 62.511 63.200 -0.038 0.000 0.789 450 S HN 0.461 nan 8.310 nan 0.000 0.497 451 L N 3.848 125.000 121.223 -0.118 0.000 2.416 451 L HA 0.211 4.550 4.340 -0.001 0.000 0.272 451 L C -1.917 174.856 176.870 -0.161 0.000 1.161 451 L CA -1.800 52.915 54.840 -0.209 0.000 0.845 451 L CB 0.168 41.996 42.059 -0.386 0.000 1.119 451 L HN 0.019 nan 8.230 nan 0.000 0.464 452 P HA -0.031 nan 4.420 nan 0.000 0.269 452 P C -0.576 176.720 177.300 -0.007 0.000 1.217 452 P CA -0.402 62.585 63.100 -0.188 0.000 0.783 452 P CB 0.444 31.892 31.700 -0.420 0.000 0.898 453 R N 0.612 121.095 120.500 -0.028 0.000 2.583 453 R HA 0.370 4.709 4.340 -0.001 0.000 0.274 453 R C 0.334 176.610 176.300 -0.039 0.000 0.998 453 R CA 1.080 57.176 56.100 -0.007 0.000 1.081 453 R CB -0.584 29.695 30.300 -0.035 0.000 0.940 453 R HN 0.842 nan 8.270 nan 0.000 0.413 454 G N 0.990 109.743 108.800 -0.078 0.000 2.320 454 G HA2 0.103 4.062 3.960 -0.001 0.000 0.297 454 G HA3 0.103 4.062 3.960 -0.001 0.000 0.297 454 G C -1.642 173.059 174.900 -0.332 0.000 1.344 454 G CA -0.802 44.116 45.100 -0.304 0.000 0.851 454 G HN 0.450 nan 8.290 nan 0.000 0.567 455 S N 0.428 115.889 115.700 -0.398 0.000 2.505 455 S HA 0.491 4.961 4.470 -0.001 0.000 0.280 455 S C -1.000 173.421 174.600 -0.298 0.000 1.197 455 S CA -0.295 57.754 58.200 -0.253 0.000 1.138 455 S CB 0.117 63.222 63.200 -0.157 0.000 1.010 455 S HN 0.391 nan 8.310 nan 0.000 0.480 456 Y N 2.429 122.675 120.300 -0.091 0.000 2.359 456 Y HA 0.217 4.767 4.550 -0.001 0.000 0.334 456 Y C 0.872 176.843 175.900 0.119 0.000 1.058 456 Y CA -0.555 57.554 58.100 0.015 0.000 1.244 456 Y CB 0.325 38.785 38.460 -0.000 0.000 1.187 456 Y HN 0.493 nan 8.280 nan 0.000 0.510 457 N N 1.885 120.746 118.700 0.268 0.000 2.518 457 N HA 0.064 4.804 4.740 -0.001 0.000 0.283 457 N C -1.028 174.663 175.510 0.302 0.000 1.119 457 N CA -0.699 52.488 53.050 0.228 0.000 0.983 457 N CB 0.476 39.030 38.487 0.112 0.000 1.139 457 N HN 0.536 nan 8.380 nan 0.000 0.465 458 D N 1.509 122.039 120.400 0.217 0.000 2.434 458 D HA -0.041 4.598 4.640 -0.001 0.000 0.252 458 D C 0.899 177.172 176.300 -0.045 0.000 1.185 458 D CA -0.033 53.947 54.000 -0.032 0.000 0.886 458 D CB 0.703 41.456 40.800 -0.078 0.000 1.148 458 D HN 0.216 nan 8.370 nan 0.000 0.483 459 V N 4.592 124.452 119.914 -0.090 0.000 2.469 459 V HA -0.235 3.884 4.120 -0.001 0.000 0.251 459 V C 2.240 178.289 176.094 -0.075 0.000 1.064 459 V CA 1.328 63.591 62.300 -0.061 0.000 1.066 459 V CB -0.522 31.255 31.823 -0.077 0.000 0.667 459 V HN 0.659 nan 8.190 nan 0.000 0.461 460 L N 0.556 121.711 121.223 -0.113 0.000 2.622 460 L HA 0.158 4.497 4.340 -0.001 0.000 0.233 460 L C 1.779 178.620 176.870 -0.049 0.000 1.156 460 L CA 0.745 55.535 54.840 -0.084 0.000 0.866 460 L CB -0.928 41.066 42.059 -0.109 0.000 0.980 460 L HN 0.563 nan 8.230 nan 0.000 0.448 461 G N 0.258 109.036 108.800 -0.035 0.000 2.258 461 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.274 461 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.274 461 G C 1.026 175.922 174.900 -0.007 0.000 1.021 461 G CA 0.452 45.545 45.100 -0.011 0.000 0.798 461 G HN 0.683 nan 8.290 nan 0.000 0.507 462 G N -0.860 107.929 108.800 -0.017 0.000 2.184 462 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.264 462 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.264 462 G C 1.310 176.207 174.900 -0.004 0.000 0.975 462 G CA 1.144 46.240 45.100 -0.006 0.000 0.642 462 G HN 1.953 nan 8.290 nan 0.000 0.536 463 I N -2.192 118.373 120.570 -0.008 0.000 2.614 463 I HA 0.258 4.428 4.170 -0.001 0.000 0.258 463 I C 1.600 177.720 176.117 0.005 0.000 1.189 463 I CA 1.047 62.349 61.300 0.004 0.000 1.462 463 I CB -0.150 37.856 38.000 0.009 0.000 1.092 463 I HN 0.178 nan 8.210 nan 0.000 0.442 464 L N 1.857 123.075 121.223 -0.010 0.000 3.094 464 L HA 0.350 4.689 4.340 -0.001 0.000 0.254 464 L C -0.267 176.604 176.870 0.000 0.000 1.298 464 L CA -0.230 54.608 54.840 -0.003 0.000 1.050 464 L CB -0.901 41.147 42.059 -0.017 0.000 1.420 464 L HN 0.327 nan 8.230 nan 0.000 0.548 465 N N -0.178 118.526 118.700 0.007 0.000 2.747 465 N HA -0.169 4.570 4.740 -0.001 0.000 0.249 465 N C 0.720 176.243 175.510 0.021 0.000 1.107 465 N CA 0.659 53.721 53.050 0.020 0.000 0.707 465 N CB -0.837 37.670 38.487 0.033 0.000 1.054 465 N HN 0.632 nan 8.380 nan 0.000 0.555 466 G N 0.054 108.849 108.800 -0.009 0.000 2.588 466 G HA2 0.502 4.461 3.960 -0.001 0.000 0.278 466 G HA3 0.502 4.461 3.960 -0.001 0.000 0.278 466 G C 0.083 175.004 174.900 0.035 0.000 1.307 466 G CA -0.036 45.051 45.100 -0.021 0.000 1.016 466 G HN 0.440 nan 8.290 nan 0.000 0.503 467 N N -2.152 116.606 118.700 0.096 0.000 2.934 467 N HA 0.240 4.980 4.740 -0.001 0.000 0.253 467 N C -1.130 174.509 175.510 0.215 0.000 1.466 467 N CA -0.629 52.482 53.050 0.101 0.000 0.858 467 N CB 1.144 39.653 38.487 0.037 0.000 1.459 467 N HN 0.344 nan 8.380 nan 0.000 0.532 468 T N 0.938 115.546 114.554 0.089 0.000 2.918 468 T HA 0.269 4.619 4.350 -0.001 0.000 0.302 468 T C -0.045 174.522 174.700 -0.221 0.000 1.045 468 T CA -0.200 61.933 62.100 0.056 0.000 1.114 468 T CB 0.361 69.226 68.868 -0.005 0.000 0.965 468 T HN 0.374 nan 8.240 nan 0.000 0.540 469 L N 3.300 124.233 121.223 -0.484 0.000 2.305 469 L HA 0.434 4.773 4.340 -0.001 0.000 0.284 469 L C -0.107 176.550 176.870 -0.354 0.000 1.013 469 L CA -0.058 54.293 54.840 -0.815 0.000 0.819 469 L CB 1.352 42.387 42.059 -1.706 0.000 1.227 469 L HN 0.592 nan 8.230 nan 0.000 0.417 470 T N 4.742 119.145 114.554 -0.252 0.000 2.733 470 T HA 0.521 4.870 4.350 -0.001 0.000 0.294 470 T C -0.397 174.249 174.700 -0.090 0.000 0.956 470 T CA -0.316 61.709 62.100 -0.125 0.000 0.987 470 T CB 0.922 69.735 68.868 -0.093 0.000 0.920 470 T HN 0.327 nan 8.240 nan 0.000 0.470 471 V N 3.409 123.307 119.914 -0.027 0.000 2.417 471 V HA 0.709 4.828 4.120 -0.001 0.000 0.291 471 V C 0.881 176.969 176.094 -0.009 0.000 1.024 471 V CA -0.556 61.739 62.300 -0.009 0.000 0.861 471 V CB 1.604 33.459 31.823 0.054 0.000 0.985 471 V HN 0.995 nan 8.190 nan 0.000 0.436 472 G N 2.669 111.459 108.800 -0.017 0.000 2.773 472 G HA2 0.661 4.621 3.960 -0.001 0.000 0.186 472 G HA3 0.661 4.621 3.960 -0.001 0.000 0.186 472 G C 0.018 174.907 174.900 -0.017 0.000 1.411 472 G CA -0.122 44.967 45.100 -0.018 0.000 1.054 472 G HN 1.018 nan 8.290 nan 0.000 0.579 473 A N -1.605 121.206 122.820 -0.016 0.000 2.401 473 A HA 0.535 4.855 4.320 -0.001 0.000 0.259 473 A C 1.315 178.892 177.584 -0.013 0.000 1.103 473 A CA 0.932 52.960 52.037 -0.015 0.000 0.789 473 A CB -0.253 18.740 19.000 -0.012 0.000 1.035 473 A HN 2.460 nan 8.150 nan 0.000 0.491 474 G N 0.828 109.619 108.800 -0.016 0.000 2.176 474 G HA2 0.162 4.122 3.960 -0.001 0.000 0.252 474 G HA3 0.162 4.122 3.960 -0.001 0.000 0.252 474 G C 1.557 176.448 174.900 -0.016 0.000 1.024 474 G CA 0.977 46.069 45.100 -0.014 0.000 0.755 474 G HN 2.786 nan 8.290 nan 0.000 0.507 475 G N -1.704 107.081 108.800 -0.024 0.000 2.168 475 G HA2 0.142 4.101 3.960 -0.001 0.000 0.263 475 G HA3 0.142 4.101 3.960 -0.001 0.000 0.263 475 G C 0.783 175.672 174.900 -0.020 0.000 0.977 475 G CA 1.274 46.356 45.100 -0.030 0.000 0.659 475 G HN 2.356 nan 8.290 nan 0.000 0.533 476 A N -0.071 122.743 122.820 -0.010 0.000 2.366 476 A HA 0.845 5.164 4.320 -0.001 0.000 0.272 476 A C 0.741 178.320 177.584 -0.009 0.000 1.135 476 A CA 0.885 52.922 52.037 0.001 0.000 0.804 476 A CB 0.698 19.703 19.000 0.007 0.000 1.064 476 A HN 2.011 nan 8.150 nan 0.000 0.499 477 A N 2.335 125.152 122.820 -0.006 0.000 2.304 477 A HA 0.617 4.936 4.320 -0.001 0.000 0.301 477 A C 0.734 178.324 177.584 0.011 0.000 1.132 477 A CA 0.093 52.117 52.037 -0.022 0.000 0.819 477 A CB 0.381 19.363 19.000 -0.031 0.000 1.094 477 A HN 1.551 nan 8.150 nan 0.000 0.492 478 S N 2.155 117.857 115.700 0.004 0.000 2.549 478 S HA 0.106 4.575 4.470 -0.001 0.000 0.283 478 S C 0.266 174.923 174.600 0.095 0.000 1.320 478 S CA -0.700 57.516 58.200 0.026 0.000 1.058 478 S CB -0.298 62.901 63.200 -0.001 0.000 0.882 478 S HN 0.671 nan 8.310 nan 0.000 0.498 479 N N 2.976 121.713 118.700 0.061 0.000 2.441 479 N HA 0.389 5.128 4.740 -0.001 0.000 0.251 479 N C -0.384 175.203 175.510 0.128 0.000 1.242 479 N CA 0.311 53.377 53.050 0.028 0.000 0.898 479 N CB -0.048 38.421 38.487 -0.031 0.000 1.100 479 N HN 0.658 nan 8.380 nan 0.000 0.443 480 F N -2.864 117.027 119.950 -0.098 0.000 2.711 480 F HA 0.547 5.074 4.527 -0.000 0.000 0.313 480 F C -0.674 175.078 175.800 -0.080 0.000 1.141 480 F CA -1.098 56.857 58.000 -0.075 0.000 0.941 480 F CB 0.868 39.827 39.000 -0.069 0.000 1.349 480 F HN 0.063 nan 8.300 nan 0.000 0.464 481 T N 3.119 117.742 114.554 0.115 0.000 2.758 481 T HA 0.503 4.853 4.350 -0.001 0.000 0.285 481 T C -1.021 173.779 174.700 0.168 0.000 0.981 481 T CA -0.310 61.796 62.100 0.010 0.000 0.965 481 T CB 1.113 70.002 68.868 0.034 0.000 0.927 481 T HN 0.676 nan 8.240 nan 0.000 0.448 482 L N 4.436 125.699 121.223 0.066 0.000 2.281 482 L HA 0.645 4.984 4.340 -0.001 0.000 0.285 482 L C 0.587 177.518 176.870 0.101 0.000 1.074 482 L CA -0.388 54.559 54.840 0.179 0.000 0.817 482 L CB -0.115 42.012 42.059 0.114 0.000 1.168 482 L HN 0.785 nan 8.230 nan 0.000 0.434 483 A N 6.930 129.818 122.820 0.112 0.000 2.547 483 A HA 0.314 4.633 4.320 -0.001 0.000 0.233 483 A C -2.214 175.410 177.584 0.066 0.000 1.067 483 A CA -0.724 51.360 52.037 0.077 0.000 0.763 483 A CB -0.969 18.074 19.000 0.071 0.000 1.007 483 A HN 0.705 nan 8.150 nan 0.000 0.506 484 P HA 0.199 nan 4.420 nan 0.000 0.261 484 P C 0.984 178.321 177.300 0.061 0.000 1.183 484 P CA 1.882 65.016 63.100 0.055 0.000 0.761 484 P CB 0.337 32.066 31.700 0.048 0.000 0.785 485 G N 2.380 111.223 108.800 0.071 0.000 2.168 485 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.263 485 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.263 485 G C 0.650 175.590 174.900 0.067 0.000 0.977 485 G CA -0.128 45.018 45.100 0.076 0.000 0.659 485 G HN 0.885 nan 8.290 nan 0.000 0.533 486 G N -0.601 108.239 108.800 0.066 0.000 2.441 486 G HA2 0.546 4.505 3.960 -0.001 0.000 0.243 486 G HA3 0.546 4.505 3.960 -0.001 0.000 0.243 486 G C -0.105 174.818 174.900 0.038 0.000 1.281 486 G CA 0.988 46.121 45.100 0.055 0.000 0.854 486 G HN 0.794 nan 8.290 nan 0.000 0.560 487 T N 0.241 114.789 114.554 -0.011 0.000 3.071 487 T HA 0.656 5.005 4.350 -0.001 0.000 0.311 487 T C -0.334 174.262 174.700 -0.173 0.000 1.042 487 T CA 0.027 62.086 62.100 -0.068 0.000 1.028 487 T CB 1.719 70.555 68.868 -0.054 0.000 1.068 487 T HN 1.142 nan 8.240 nan 0.000 0.451 488 A N 2.326 124.943 122.820 -0.339 0.000 2.539 488 A HA 0.918 5.238 4.320 -0.001 0.000 0.296 488 A C -1.396 175.635 177.584 -0.922 0.000 1.073 488 A CA -0.730 50.912 52.037 -0.658 0.000 0.700 488 A CB 1.693 20.162 19.000 -0.885 0.000 1.296 488 A HN 0.666 nan 8.150 nan 0.000 0.405 489 V N 1.917 121.268 119.914 -0.938 0.000 2.577 489 V HA 0.582 4.701 4.120 -0.001 0.000 0.303 489 V C -1.195 174.502 176.094 -0.662 0.000 1.042 489 V CA -0.487 61.416 62.300 -0.662 0.000 0.872 489 V CB 1.522 33.152 31.823 -0.323 0.000 0.998 489 V HN 0.831 nan 8.190 nan 0.000 0.423 490 W N 3.763 125.021 121.300 -0.070 0.000 2.844 490 W HA 0.763 5.423 4.660 -0.001 0.000 0.340 490 W C -0.314 176.152 176.519 -0.089 0.000 1.093 490 W CA -0.617 56.690 57.345 -0.062 0.000 1.212 490 W CB 2.215 31.606 29.460 -0.114 0.000 1.422 490 W HN 0.726 nan 8.180 nan 0.000 0.515 491 Q N 1.104 121.001 119.800 0.160 0.000 2.534 491 Q HA 0.690 5.030 4.340 -0.001 0.000 0.290 491 Q C -2.249 173.858 176.000 0.178 0.000 0.991 491 Q CA -1.127 54.734 55.803 0.098 0.000 0.783 491 Q CB 3.468 32.249 28.738 0.073 0.000 1.470 491 Q HN 0.375 nan 8.270 nan 0.000 0.406 492 Y N 0.584 120.900 120.300 0.027 0.000 2.399 492 Y HA 0.532 5.081 4.550 -0.000 0.000 0.327 492 Y C -1.732 174.211 175.900 0.072 0.000 1.111 492 Y CA -0.111 58.046 58.100 0.095 0.000 1.047 492 Y CB 2.269 40.779 38.460 0.083 0.000 1.259 492 Y HN 0.939 nan 8.280 nan 0.000 0.434 493 T N 1.856 116.057 114.554 -0.587 0.000 2.912 493 T HA 0.836 5.186 4.350 -0.001 0.000 0.288 493 T C -0.548 173.781 174.700 -0.619 0.000 1.030 493 T CA -0.647 61.195 62.100 -0.430 0.000 1.020 493 T CB 2.154 70.902 68.868 -0.200 0.000 1.056 493 T HN 0.748 nan 8.240 nan 0.000 0.480 494 T N -0.064 114.317 114.554 -0.288 0.000 2.711 494 T HA 0.381 4.730 4.350 -0.001 0.000 0.302 494 T C -1.780 172.892 174.700 -0.046 0.000 1.373 494 T CA -0.695 61.312 62.100 -0.156 0.000 1.000 494 T CB 1.533 70.377 68.868 -0.041 0.000 1.483 494 T HN 0.719 nan 8.240 nan 0.000 0.499 495 D N 1.527 121.918 120.400 -0.015 0.000 2.302 495 D HA 0.543 5.182 4.640 -0.001 0.000 0.248 495 D C -0.163 176.137 176.300 0.000 0.000 1.094 495 D CA -0.079 53.917 54.000 -0.007 0.000 0.897 495 D CB 1.482 42.281 40.800 -0.002 0.000 1.200 495 D HN 0.692 nan 8.370 nan 0.000 0.429 496 A N 1.006 123.815 122.820 -0.018 0.000 2.309 496 A HA 0.423 4.743 4.320 -0.001 0.000 0.298 496 A C 1.073 178.643 177.584 -0.024 0.000 1.165 496 A CA -0.463 51.552 52.037 -0.037 0.000 0.821 496 A CB 0.522 19.467 19.000 -0.091 0.000 1.102 496 A HN 0.563 nan 8.150 nan 0.000 0.500 497 T N -0.191 114.356 114.554 -0.013 0.000 3.039 497 T HA 0.089 4.438 4.350 -0.001 0.000 0.250 497 T C 0.839 175.549 174.700 0.016 0.000 1.052 497 T CA 1.027 63.132 62.100 0.008 0.000 1.125 497 T CB -0.244 68.632 68.868 0.013 0.000 0.908 497 T HN 0.533 nan 8.240 nan 0.000 0.473 498 T N 4.639 119.190 114.554 -0.004 0.000 2.882 498 T HA 0.392 4.742 4.350 -0.001 0.000 0.287 498 T C -2.653 172.052 174.700 0.008 0.000 0.992 498 T CA -1.351 60.755 62.100 0.009 0.000 1.076 498 T CB 1.301 70.160 68.868 -0.016 0.000 0.961 498 T HN 0.127 nan 8.240 nan 0.000 0.490 499 P HA 0.283 nan 4.420 nan 0.000 0.267 499 P C -0.959 176.382 177.300 0.068 0.000 1.205 499 P CA 0.011 63.215 63.100 0.172 0.000 0.765 499 P CB 0.338 32.253 31.700 0.358 0.000 0.828 500 I N 3.788 124.345 120.570 -0.022 0.000 2.534 500 I HA 0.371 4.541 4.170 -0.001 0.000 0.288 500 I C 0.283 176.457 176.117 0.095 0.000 1.077 500 I CA -0.930 60.302 61.300 -0.113 0.000 1.051 500 I CB 2.084 39.724 38.000 -0.600 0.000 1.234 500 I HN 0.130 nan 8.210 nan 0.000 0.425 501 I N 4.740 125.423 120.570 0.188 0.000 2.325 501 I HA 0.292 4.461 4.170 -0.001 0.000 0.291 501 I C 1.218 177.449 176.117 0.190 0.000 1.019 501 I CA 0.151 61.560 61.300 0.183 0.000 1.302 501 I CB 1.524 39.572 38.000 0.081 0.000 1.401 501 I HN 0.854 nan 8.210 nan 0.000 0.485 502 G N 4.873 113.608 108.800 -0.107 0.000 2.608 502 G HA2 0.030 3.989 3.960 -0.001 0.000 0.210 502 G HA3 0.030 3.989 3.960 -0.001 0.000 0.210 502 G C 0.406 175.149 174.900 -0.262 0.000 1.139 502 G CA 0.294 45.154 45.100 -0.400 0.000 0.812 502 G HN 0.544 nan 8.290 nan 0.000 0.529 503 N N -1.284 117.150 118.700 -0.442 0.000 2.935 503 N HA 0.399 5.138 4.740 -0.001 0.000 0.248 503 N C -1.927 173.269 175.510 -0.524 0.000 1.276 503 N CA -0.274 52.564 53.050 -0.354 0.000 0.906 503 N CB 2.018 40.492 38.487 -0.022 0.000 1.564 503 N HN -0.127 nan 8.380 nan 0.000 0.500 504 V N 0.167 119.790 119.914 -0.485 0.000 2.841 504 V HA 0.961 5.080 4.120 -0.001 0.000 0.310 504 V C 0.150 176.242 176.094 -0.004 0.000 1.090 504 V CA -0.614 61.516 62.300 -0.284 0.000 0.930 504 V CB 1.841 33.468 31.823 -0.326 0.000 1.014 504 V HN 0.815 nan 8.190 nan 0.000 0.425 505 G N 3.698 112.527 108.800 0.050 0.000 2.766 505 G HA2 0.711 4.671 3.960 -0.001 0.000 0.297 505 G HA3 0.711 4.671 3.960 -0.001 0.000 0.297 505 G C -3.347 171.630 174.900 0.129 0.000 1.431 505 G CA -1.120 44.057 45.100 0.128 0.000 1.042 505 G HN 0.495 nan 8.290 nan 0.000 0.542 506 P HA 0.230 nan 4.420 nan 0.000 0.274 506 P C 0.239 177.678 177.300 0.232 0.000 1.256 506 P CA -0.404 62.787 63.100 0.151 0.000 0.795 506 P CB 1.342 33.093 31.700 0.086 0.000 1.038 507 M N -0.072 119.588 119.600 0.100 0.000 2.419 507 M HA 0.290 4.770 4.480 -0.001 0.000 0.252 507 M C 0.480 176.467 176.300 -0.522 0.000 1.143 507 M CA 0.315 55.606 55.300 -0.015 0.000 0.985 507 M CB -0.603 32.038 32.600 0.069 0.000 1.489 507 M HN 0.452 nan 8.290 nan 0.000 0.484 508 M N 0.842 120.207 119.600 -0.393 0.000 2.255 508 M HA 0.602 5.082 4.480 -0.001 0.000 0.275 508 M C -2.177 174.005 176.300 -0.196 0.000 1.050 508 M CA -0.167 54.892 55.300 -0.402 0.000 0.978 508 M CB 2.166 34.623 32.600 -0.237 0.000 1.761 508 M HN 0.049 nan 8.290 nan 0.000 0.479 509 A N 3.706 126.454 122.820 -0.121 0.000 2.567 509 A HA 0.602 4.921 4.320 -0.001 0.000 0.291 509 A C -1.833 175.769 177.584 0.029 0.000 1.048 509 A CA -0.971 51.066 52.037 0.000 0.000 0.661 509 A CB 1.552 20.604 19.000 0.088 0.000 1.288 509 A HN 0.887 nan 8.150 nan 0.000 0.424 510 K N 0.208 120.617 120.400 0.016 0.000 2.090 510 K HA 0.649 4.969 4.320 -0.001 0.000 0.250 510 K C -2.682 173.915 176.600 -0.005 0.000 1.004 510 K CA -1.565 54.726 56.287 0.007 0.000 0.919 510 K CB 0.076 32.574 32.500 -0.003 0.000 1.045 510 K HN 0.259 nan 8.250 nan 0.000 0.471 511 P HA -0.077 nan 4.420 nan 0.000 0.263 511 P C 0.486 177.746 177.300 -0.067 0.000 1.175 511 P CA 1.561 64.609 63.100 -0.086 0.000 0.761 511 P CB 0.464 32.110 31.700 -0.090 0.000 0.794 512 G N 0.870 109.616 108.800 -0.089 0.000 2.234 512 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.235 512 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.235 512 G C 0.129 175.003 174.900 -0.044 0.000 0.997 512 G CA -0.170 44.892 45.100 -0.063 0.000 0.623 512 G HN 0.549 nan 8.290 nan 0.000 0.514 513 V N 2.361 122.259 119.914 -0.028 0.000 2.686 513 V HA 0.458 4.577 4.120 -0.001 0.000 0.295 513 V C 1.010 177.102 176.094 -0.004 0.000 1.055 513 V CA 0.597 62.894 62.300 -0.005 0.000 1.050 513 V CB 1.448 33.287 31.823 0.026 0.000 0.984 513 V HN 0.321 nan 8.190 nan 0.000 0.482 514 T N 6.874 121.424 114.554 -0.006 0.000 2.761 514 T HA 0.472 4.821 4.350 -0.001 0.000 0.296 514 T C -0.009 174.701 174.700 0.016 0.000 0.934 514 T CA 0.071 62.167 62.100 -0.006 0.000 1.091 514 T CB -0.025 68.831 68.868 -0.020 0.000 0.896 514 T HN 0.576 nan 8.240 nan 0.000 0.515 515 I N 0.245 120.829 120.570 0.023 0.000 2.822 515 I HA 0.725 4.894 4.170 -0.001 0.000 0.312 515 I C -0.171 175.929 176.117 -0.028 0.000 1.011 515 I CA -0.785 60.536 61.300 0.035 0.000 1.105 515 I CB 1.841 39.881 38.000 0.066 0.000 1.291 515 I HN 0.269 nan 8.210 nan 0.000 0.474 516 T N 5.123 119.657 114.554 -0.033 0.000 2.786 516 T HA 0.605 4.954 4.350 -0.001 0.000 0.283 516 T C -0.279 174.345 174.700 -0.126 0.000 0.992 516 T CA -0.213 61.843 62.100 -0.074 0.000 0.954 516 T CB 0.829 69.674 68.868 -0.038 0.000 0.934 516 T HN 0.371 nan 8.240 nan 0.000 0.440 517 I N 3.458 123.911 120.570 -0.195 0.000 2.389 517 I HA 0.400 4.570 4.170 -0.001 0.000 0.288 517 I C -0.557 175.473 176.117 -0.145 0.000 0.999 517 I CA -0.833 60.309 61.300 -0.262 0.000 1.129 517 I CB 1.576 39.321 38.000 -0.425 0.000 1.288 517 I HN 0.442 nan 8.210 nan 0.000 0.444 518 D N 4.495 124.821 120.400 -0.124 0.000 2.342 518 D HA 0.786 5.426 4.640 -0.001 0.000 0.243 518 D C 0.217 176.391 176.300 -0.209 0.000 1.019 518 D CA -0.049 53.902 54.000 -0.083 0.000 0.864 518 D CB 2.555 43.277 40.800 -0.129 0.000 1.315 518 D HN 0.792 nan 8.370 nan 0.000 0.468 519 G N 0.655 109.272 108.800 -0.305 0.000 2.552 519 G HA2 0.292 4.251 3.960 -0.001 0.000 0.137 519 G HA3 0.292 4.251 3.960 -0.001 0.000 0.137 519 G C -1.304 173.302 174.900 -0.491 0.000 1.135 519 G CA -0.564 44.281 45.100 -0.425 0.000 1.047 519 G HN 0.295 nan 8.290 nan 0.000 0.501 520 R N -0.834 119.328 120.500 -0.563 0.000 2.707 520 R HA 0.622 4.961 4.340 -0.001 0.000 0.272 520 R C 0.462 176.415 176.300 -0.579 0.000 1.011 520 R CA 0.023 55.854 56.100 -0.448 0.000 0.893 520 R CB 1.217 31.511 30.300 -0.011 0.000 1.233 520 R HN 2.233 nan 8.270 nan 0.000 0.464 521 G N 1.046 109.629 108.800 -0.361 0.000 2.136 521 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.242 521 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.242 521 G C 0.272 175.187 174.900 0.025 0.000 0.989 521 G CA 0.239 45.252 45.100 -0.144 0.000 0.682 521 G HN 0.428 nan 8.290 nan 0.000 0.522 522 F N 0.994 120.962 119.950 0.031 0.000 2.456 522 F HA 0.397 4.923 4.527 -0.001 0.000 0.298 522 F C 2.048 178.077 175.800 0.382 0.000 1.104 522 F CA 1.112 59.173 58.000 0.102 0.000 1.435 522 F CB -0.721 38.118 39.000 -0.268 0.000 1.078 522 F HN 1.187 nan 8.300 nan 0.000 0.546 523 G N -0.316 108.727 108.800 0.405 0.000 2.746 523 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.685 523 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.685 523 G C 0.669 175.813 174.900 0.407 0.000 1.350 523 G CA -0.234 45.064 45.100 0.331 0.000 0.837 523 G HN 0.103 nan 8.290 nan 0.000 0.564 524 S N 0.012 115.847 115.700 0.225 0.000 2.425 524 S HA 0.302 4.772 4.470 -0.001 0.000 0.225 524 S C 1.590 176.254 174.600 0.106 0.000 1.024 524 S CA 1.190 59.504 58.200 0.190 0.000 0.951 524 S CB 0.060 63.317 63.200 0.095 0.000 0.796 524 S HN 1.557 nan 8.310 nan 0.000 0.498 525 G N 1.438 110.221 108.800 -0.028 0.000 2.395 525 G HA2 0.399 4.359 3.960 -0.001 0.000 0.283 525 G HA3 0.399 4.359 3.960 -0.001 0.000 0.283 525 G C -0.569 173.933 174.900 -0.662 0.000 1.178 525 G CA -0.570 44.400 45.100 -0.218 0.000 0.837 525 G HN 0.202 nan 8.290 nan 0.000 0.518 526 K N 1.173 121.156 120.400 -0.694 0.000 2.416 526 K HA 0.334 4.654 4.320 -0.001 0.000 0.283 526 K C 0.907 176.791 176.600 -1.194 0.000 1.037 526 K CA 0.295 55.897 56.287 -1.142 0.000 0.995 526 K CB 0.355 32.566 32.500 -0.482 0.000 0.938 526 K HN 0.526 nan 8.250 nan 0.000 0.475 527 G N 2.084 109.699 108.800 -1.975 0.000 3.194 527 G HA2 0.325 4.285 3.960 -0.001 0.000 0.160 527 G HA3 0.325 4.285 3.960 -0.001 0.000 0.160 527 G C -0.932 173.677 174.900 -0.486 0.000 1.267 527 G CA -0.311 44.221 45.100 -0.946 0.000 0.962 527 G HN 0.559 nan 8.290 nan 0.000 0.612 528 T N -0.279 114.217 114.554 -0.098 0.000 2.893 528 T HA 0.568 4.918 4.350 -0.001 0.000 0.293 528 T C -1.026 173.650 174.700 -0.041 0.000 1.027 528 T CA -0.250 61.782 62.100 -0.114 0.000 0.988 528 T CB 2.113 70.822 68.868 -0.265 0.000 1.043 528 T HN 0.310 nan 8.240 nan 0.000 0.461 529 V N 2.987 122.805 119.914 -0.159 0.000 2.495 529 V HA 0.464 4.583 4.120 -0.001 0.000 0.298 529 V C -1.315 174.588 176.094 -0.317 0.000 1.031 529 V CA -0.919 61.276 62.300 -0.176 0.000 0.871 529 V CB 1.085 32.844 31.823 -0.107 0.000 0.988 529 V HN 0.817 nan 8.190 nan 0.000 0.432 530 Y N 3.887 124.143 120.300 -0.074 0.000 2.331 530 Y HA 0.607 5.156 4.550 -0.001 0.000 0.338 530 Y C -0.375 175.451 175.900 -0.122 0.000 0.992 530 Y CA -0.628 57.467 58.100 -0.009 0.000 1.121 530 Y CB 1.485 39.946 38.460 0.001 0.000 1.184 530 Y HN 0.518 nan 8.280 nan 0.000 0.469 531 F N 2.487 122.491 119.950 0.089 0.000 2.347 531 F HA 0.529 5.056 4.527 -0.001 0.000 0.366 531 F C 0.964 176.901 175.800 0.229 0.000 1.107 531 F CA -0.344 57.683 58.000 0.045 0.000 1.058 531 F CB 0.962 39.840 39.000 -0.204 0.000 1.236 531 F HN 0.792 nan 8.300 nan 0.000 0.456 532 G N 2.576 111.646 108.800 0.450 0.000 2.591 532 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.298 532 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.298 532 G C 1.039 176.112 174.900 0.288 0.000 1.195 532 G CA 0.589 45.919 45.100 0.383 0.000 0.989 532 G HN 0.812 nan 8.290 nan 0.000 0.551 533 T N -1.873 112.841 114.554 0.267 0.000 3.069 533 T HA 0.445 4.794 4.350 -0.001 0.000 0.252 533 T C 0.895 175.784 174.700 0.314 0.000 1.053 533 T CA 1.284 63.526 62.100 0.236 0.000 0.964 533 T CB 0.180 69.135 68.868 0.144 0.000 1.005 533 T HN 0.722 nan 8.240 nan 0.000 0.532 534 T N 3.277 118.013 114.554 0.302 0.000 2.794 534 T HA 0.624 4.974 4.350 -0.001 0.000 0.296 534 T C 0.197 175.002 174.700 0.176 0.000 0.949 534 T CA -0.487 61.737 62.100 0.207 0.000 1.101 534 T CB 0.863 69.812 68.868 0.136 0.000 0.905 534 T HN 0.502 nan 8.240 nan 0.000 0.516 535 A N 3.537 126.382 122.820 0.042 0.000 2.301 535 A HA 0.670 4.989 4.320 -0.001 0.000 0.312 535 A C -0.299 177.202 177.584 -0.138 0.000 1.182 535 A CA -0.617 51.283 52.037 -0.228 0.000 0.826 535 A CB 0.606 19.464 19.000 -0.237 0.000 1.134 535 A HN 0.680 nan 8.150 nan 0.000 0.501 536 V N 2.891 122.709 119.914 -0.161 0.000 2.444 536 V HA 0.690 4.810 4.120 -0.001 0.000 0.294 536 V C 0.345 176.382 176.094 -0.095 0.000 1.022 536 V CA 0.085 62.340 62.300 -0.074 0.000 0.850 536 V CB 1.242 33.078 31.823 0.020 0.000 0.992 536 V HN 1.205 nan 8.190 nan 0.000 0.426 537 T N 0.956 115.460 114.554 -0.082 0.000 2.804 537 T HA 0.887 5.237 4.350 -0.001 0.000 0.290 537 T C 0.507 175.168 174.700 -0.065 0.000 1.099 537 T CA 0.175 62.222 62.100 -0.089 0.000 1.011 537 T CB 1.644 70.445 68.868 -0.110 0.000 1.291 537 T HN 1.779 nan 8.240 nan 0.000 0.523 538 G N 1.036 109.789 108.800 -0.078 0.000 2.583 538 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.292 538 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.292 538 G C 1.226 176.102 174.900 -0.040 0.000 1.203 538 G CA 1.063 46.126 45.100 -0.063 0.000 0.987 538 G HN 1.897 nan 8.290 nan 0.000 0.554 539 A N -0.688 122.111 122.820 -0.035 0.000 2.121 539 A HA 0.170 4.490 4.320 -0.001 0.000 0.218 539 A C 1.853 179.424 177.584 -0.021 0.000 1.154 539 A CA 2.190 54.212 52.037 -0.025 0.000 0.679 539 A CB -0.323 18.661 19.000 -0.026 0.000 0.795 539 A HN 0.583 nan 8.150 nan 0.000 0.458 540 D N -0.233 120.152 120.400 -0.025 0.000 2.347 540 D HA 0.048 4.687 4.640 -0.001 0.000 0.215 540 D C 0.363 176.660 176.300 -0.006 0.000 0.976 540 D CA 0.541 54.525 54.000 -0.027 0.000 0.884 540 D CB 0.013 40.788 40.800 -0.043 0.000 0.915 540 D HN 0.442 nan 8.370 nan 0.000 0.526 541 I N 1.437 122.016 120.570 0.016 0.000 2.291 541 I HA -0.005 4.165 4.170 -0.001 0.000 0.292 541 I C 1.430 177.576 176.117 0.047 0.000 1.064 541 I CA -0.422 60.913 61.300 0.060 0.000 1.269 541 I CB 1.894 39.972 38.000 0.130 0.000 1.418 541 I HN -0.283 nan 8.210 nan 0.000 0.485 542 V N 6.094 126.025 119.914 0.029 0.000 2.453 542 V HA 0.008 4.127 4.120 -0.001 0.000 0.247 542 V C 0.937 177.052 176.094 0.034 0.000 1.048 542 V CA 1.344 63.654 62.300 0.016 0.000 1.049 542 V CB -0.256 31.565 31.823 -0.004 0.000 0.672 542 V HN 0.847 nan 8.190 nan 0.000 0.457 543 A N -1.593 121.260 122.820 0.055 0.000 2.547 543 A HA 0.618 4.938 4.320 -0.001 0.000 0.297 543 A C -2.058 175.610 177.584 0.142 0.000 1.056 543 A CA -0.395 51.688 52.037 0.077 0.000 0.688 543 A CB 1.594 20.610 19.000 0.027 0.000 1.282 543 A HN 0.222 nan 8.150 nan 0.000 0.400 544 W N 2.942 124.227 121.300 -0.024 0.000 3.042 544 W HA 0.569 5.229 4.660 -0.001 0.000 0.337 544 W C -0.951 175.584 176.519 0.027 0.000 1.086 544 W CA -0.224 57.114 57.345 -0.012 0.000 1.236 544 W CB 1.832 31.274 29.460 -0.030 0.000 1.381 544 W HN 1.065 nan 8.180 nan 0.000 0.472 545 E N 1.315 121.597 120.200 0.136 0.000 2.435 545 E HA 0.215 4.564 4.350 -0.001 0.000 0.272 545 E C -0.601 176.090 176.600 0.153 0.000 1.031 545 E CA -0.567 55.959 56.400 0.210 0.000 0.872 545 E CB 1.518 31.283 29.700 0.109 0.000 1.588 545 E HN 0.161 nan 8.360 nan 0.000 0.460 546 D N -0.357 120.119 120.400 0.125 0.000 2.178 546 D HA -0.112 4.527 4.640 -0.001 0.000 0.202 546 D C 1.606 177.810 176.300 -0.160 0.000 0.974 546 D CA 2.301 56.331 54.000 0.049 0.000 0.841 546 D CB 0.222 41.031 40.800 0.014 0.000 0.953 546 D HN 0.538 nan 8.370 nan 0.000 0.478 547 T N -3.383 111.112 114.554 -0.099 0.000 3.040 547 T HA 0.123 4.473 4.350 -0.001 0.000 0.250 547 T C 0.556 175.249 174.700 -0.011 0.000 1.058 547 T CA -0.462 61.531 62.100 -0.178 0.000 0.988 547 T CB 0.413 69.227 68.868 -0.091 0.000 0.993 547 T HN 0.102 nan 8.240 nan 0.000 0.519 548 Q N 0.056 119.927 119.800 0.119 0.000 2.352 548 Q HA 0.603 4.943 4.340 -0.001 0.000 0.270 548 Q C -2.179 173.751 176.000 -0.117 0.000 1.006 548 Q CA -0.813 55.028 55.803 0.064 0.000 0.880 548 Q CB 1.935 30.664 28.738 -0.015 0.000 1.392 548 Q HN 0.426 nan 8.270 nan 0.000 0.401 549 I N 2.510 122.894 120.570 -0.310 0.000 2.509 549 I HA 0.379 4.549 4.170 -0.001 0.000 0.293 549 I C -0.661 175.312 176.117 -0.241 0.000 1.020 549 I CA -0.616 60.418 61.300 -0.443 0.000 1.088 549 I CB 2.232 39.701 38.000 -0.885 0.000 1.267 549 I HN 0.528 nan 8.210 nan 0.000 0.430 550 Q N 4.688 124.408 119.800 -0.132 0.000 2.331 550 Q HA 0.703 5.042 4.340 -0.001 0.000 0.267 550 Q C -1.414 174.557 176.000 -0.049 0.000 1.006 550 Q CA -0.584 55.170 55.803 -0.082 0.000 0.818 550 Q CB 3.326 32.036 28.738 -0.048 0.000 1.276 550 Q HN 0.482 nan 8.270 nan 0.000 0.450 551 V N 2.536 122.425 119.914 -0.041 0.000 2.971 551 V HA 0.416 4.536 4.120 -0.001 0.000 0.309 551 V C -1.460 174.634 176.094 -0.000 0.000 1.130 551 V CA -0.775 61.523 62.300 -0.004 0.000 0.964 551 V CB 2.335 34.165 31.823 0.011 0.000 1.029 551 V HN 0.661 nan 8.190 nan 0.000 0.427 552 K N 5.534 125.920 120.400 -0.023 0.000 2.298 552 K HA 0.496 4.816 4.320 -0.001 0.000 0.280 552 K C -0.353 176.149 176.600 -0.163 0.000 1.032 552 K CA -0.211 56.035 56.287 -0.068 0.000 0.958 552 K CB 1.056 33.511 32.500 -0.075 0.000 0.978 552 K HN 0.584 nan 8.250 nan 0.000 0.472 553 I N 6.111 126.543 120.570 -0.231 0.000 2.598 553 I HA 0.010 4.179 4.170 -0.001 0.000 0.284 553 I C -1.527 174.284 176.117 -0.509 0.000 1.140 553 I CA -1.608 59.360 61.300 -0.553 0.000 1.420 553 I CB 0.164 37.977 38.000 -0.310 0.000 1.387 553 I HN 0.406 nan 8.210 nan 0.000 0.553 554 P HA 0.074 nan 4.420 nan 0.000 0.274 554 P C -0.724 176.389 177.300 -0.312 0.000 1.246 554 P CA -0.554 62.301 63.100 -0.409 0.000 0.795 554 P CB 0.816 32.276 31.700 -0.401 0.000 1.006 555 A N 2.022 124.731 122.820 -0.186 0.000 2.990 555 A HA 0.402 4.722 4.320 -0.001 0.000 0.282 555 A C 0.630 178.155 177.584 -0.098 0.000 1.688 555 A CA -0.368 51.596 52.037 -0.122 0.000 1.391 555 A CB -1.436 17.519 19.000 -0.075 0.000 1.112 555 A HN 0.396 nan 8.150 nan 0.000 0.588 556 V N -0.658 119.177 119.914 -0.132 0.000 2.975 556 V HA 0.704 4.824 4.120 -0.001 0.000 0.318 556 V C -2.604 173.510 176.094 0.033 0.000 1.077 556 V CA -2.686 59.579 62.300 -0.059 0.000 1.000 556 V CB 0.687 32.397 31.823 -0.189 0.000 1.066 556 V HN 0.462 nan 8.190 nan 0.000 0.452 557 P HA 0.240 nan 4.420 nan 0.000 0.266 557 P C 0.382 177.816 177.300 0.224 0.000 1.193 557 P CA 0.578 63.771 63.100 0.155 0.000 0.770 557 P CB 0.110 31.907 31.700 0.160 0.000 0.836 558 G N 0.735 109.627 108.800 0.154 0.000 2.491 558 G HA2 0.470 4.430 3.960 -0.001 0.000 0.238 558 G HA3 0.470 4.430 3.960 -0.001 0.000 0.238 558 G C 0.184 175.207 174.900 0.205 0.000 1.277 558 G CA 0.425 45.625 45.100 0.167 0.000 0.851 558 G HN 0.808 nan 8.290 nan 0.000 0.573 559 G N -0.216 108.728 108.800 0.240 0.000 2.352 559 G HA2 0.290 4.250 3.960 -0.001 0.000 0.283 559 G HA3 0.290 4.250 3.960 -0.001 0.000 0.283 559 G C -1.268 173.727 174.900 0.158 0.000 1.308 559 G CA -0.951 44.218 45.100 0.115 0.000 0.892 559 G HN 0.744 nan 8.290 nan 0.000 0.504 560 I N 0.863 121.419 120.570 -0.023 0.000 2.354 560 I HA 0.514 4.684 4.170 -0.001 0.000 0.292 560 I C -0.915 175.169 176.117 -0.054 0.000 0.989 560 I CA -0.622 60.720 61.300 0.070 0.000 1.188 560 I CB 1.400 39.418 38.000 0.030 0.000 1.342 560 I HN 0.416 nan 8.210 nan 0.000 0.457 561 Y N 3.507 123.955 120.300 0.246 0.000 2.524 561 Y HA 0.368 4.917 4.550 -0.001 0.000 0.344 561 Y C -0.052 175.977 175.900 0.216 0.000 1.012 561 Y CA -1.047 57.203 58.100 0.251 0.000 1.068 561 Y CB 1.307 39.986 38.460 0.364 0.000 1.249 561 Y HN 0.427 nan 8.280 nan 0.000 0.468 562 D N 2.407 122.980 120.400 0.287 0.000 2.210 562 D HA 0.398 5.037 4.640 -0.001 0.000 0.249 562 D C -0.418 175.947 176.300 0.108 0.000 1.062 562 D CA 0.068 54.173 54.000 0.175 0.000 0.891 562 D CB 1.658 42.523 40.800 0.108 0.000 1.186 562 D HN 0.369 nan 8.370 nan 0.000 0.432 563 I N 1.472 122.053 120.570 0.019 0.000 2.460 563 I HA 0.448 4.618 4.170 -0.001 0.000 0.298 563 I C 0.280 176.364 176.117 -0.056 0.000 0.989 563 I CA -0.690 60.497 61.300 -0.189 0.000 1.173 563 I CB 1.786 39.575 38.000 -0.351 0.000 1.338 563 I HN 0.063 nan 8.210 nan 0.000 0.456 564 R N 3.899 124.364 120.500 -0.058 0.000 2.643 564 R HA 0.711 5.051 4.340 -0.001 0.000 0.269 564 R C -2.147 174.191 176.300 0.063 0.000 1.037 564 R CA -0.523 55.597 56.100 0.034 0.000 0.894 564 R CB 2.330 32.668 30.300 0.064 0.000 1.238 564 R HN 0.412 nan 8.270 nan 0.000 0.459 565 V N 2.190 122.131 119.914 0.045 0.000 2.628 565 V HA 0.832 4.951 4.120 -0.001 0.000 0.306 565 V C -0.668 175.539 176.094 0.188 0.000 1.045 565 V CA -0.564 61.758 62.300 0.036 0.000 0.905 565 V CB 1.794 33.477 31.823 -0.235 0.000 0.997 565 V HN 0.908 nan 8.190 nan 0.000 0.436 566 A N 3.677 126.662 122.820 0.275 0.000 2.330 566 A HA 0.762 5.082 4.320 -0.001 0.000 0.313 566 A C -0.194 177.563 177.584 0.290 0.000 1.124 566 A CA -0.785 51.409 52.037 0.262 0.000 0.774 566 A CB 0.846 20.018 19.000 0.287 0.000 1.198 566 A HN 0.944 nan 8.150 nan 0.000 0.465 567 N N 1.795 120.659 118.700 0.273 0.000 2.327 567 N HA 0.361 5.101 4.740 -0.001 0.000 0.257 567 N C 1.133 176.676 175.510 0.056 0.000 1.281 567 N CA 0.108 53.327 53.050 0.282 0.000 0.942 567 N CB 0.293 38.949 38.487 0.282 0.000 1.199 567 N HN 0.586 nan 8.380 nan 0.000 0.532 568 A N -0.919 121.867 122.820 -0.056 0.000 2.076 568 A HA -0.004 4.315 4.320 -0.001 0.000 0.220 568 A C 1.922 179.480 177.584 -0.043 0.000 1.160 568 A CA 1.893 53.857 52.037 -0.120 0.000 0.653 568 A CB -1.328 17.583 19.000 -0.150 0.000 0.801 568 A HN 0.873 nan 8.150 nan 0.000 0.455 569 A N -2.120 120.703 122.820 0.005 0.000 2.251 569 A HA 0.429 4.748 4.320 -0.001 0.000 0.209 569 A C 1.789 179.391 177.584 0.030 0.000 1.187 569 A CA 1.114 53.160 52.037 0.016 0.000 0.823 569 A CB -0.789 18.228 19.000 0.028 0.000 0.846 569 A HN 1.833 nan 8.150 nan 0.000 0.486 570 G N -1.766 107.061 108.800 0.045 0.000 2.176 570 G HA2 0.043 4.003 3.960 -0.001 0.000 0.253 570 G HA3 0.043 4.003 3.960 -0.001 0.000 0.253 570 G C 0.455 175.399 174.900 0.072 0.000 0.979 570 G CA 0.255 45.392 45.100 0.062 0.000 0.641 570 G HN 1.627 nan 8.290 nan 0.000 0.530 571 A N 0.140 123.005 122.820 0.076 0.000 2.454 571 A HA 0.811 5.131 4.320 -0.001 0.000 0.260 571 A C 0.779 178.424 177.584 0.101 0.000 1.106 571 A CA 1.123 53.204 52.037 0.074 0.000 0.780 571 A CB 0.510 19.552 19.000 0.070 0.000 1.044 571 A HN 2.046 nan 8.150 nan 0.000 0.498 572 A N 2.624 125.492 122.820 0.080 0.000 2.306 572 A HA 0.732 5.051 4.320 -0.001 0.000 0.330 572 A C 0.757 178.385 177.584 0.073 0.000 1.146 572 A CA 0.093 52.183 52.037 0.089 0.000 0.827 572 A CB 0.509 19.536 19.000 0.045 0.000 1.178 572 A HN 1.710 nan 8.150 nan 0.000 0.490 573 S N 1.493 117.245 115.700 0.086 0.000 2.671 573 S HA 0.345 4.815 4.470 -0.001 0.000 0.272 573 S C 0.293 174.923 174.600 0.051 0.000 1.174 573 S CA -0.563 57.682 58.200 0.076 0.000 1.004 573 S CB 0.163 63.430 63.200 0.113 0.000 1.077 573 S HN 0.933 nan 8.310 nan 0.000 0.553 574 N N -0.011 118.720 118.700 0.051 0.000 2.415 574 N HA 0.099 4.839 4.740 -0.001 0.000 0.248 574 N C -0.494 175.064 175.510 0.081 0.000 1.271 574 N CA -0.281 52.804 53.050 0.057 0.000 0.913 574 N CB -0.087 38.441 38.487 0.068 0.000 1.129 574 N HN 0.698 nan 8.380 nan 0.000 0.444 575 I N 0.665 121.277 120.570 0.069 0.000 2.474 575 I HA 0.044 4.214 4.170 -0.001 0.000 0.287 575 I C -0.585 175.607 176.117 0.125 0.000 1.048 575 I CA -0.519 60.827 61.300 0.077 0.000 1.383 575 I CB 0.359 38.383 38.000 0.041 0.000 1.412 575 I HN 0.485 nan 8.210 nan 0.000 0.531 576 Y N 7.033 127.341 120.300 0.012 0.000 2.402 576 Y HA 0.200 4.750 4.550 -0.001 0.000 0.332 576 Y C 0.078 176.012 175.900 0.057 0.000 0.960 576 Y CA -0.933 57.187 58.100 0.034 0.000 1.228 576 Y CB 0.409 38.877 38.460 0.012 0.000 1.120 576 Y HN 0.606 nan 8.280 nan 0.000 0.491 577 D N 2.228 122.607 120.400 -0.035 0.000 2.478 577 D HA 0.126 4.765 4.640 -0.001 0.000 0.269 577 D C 0.025 176.383 176.300 0.097 0.000 1.232 577 D CA -0.477 53.552 54.000 0.048 0.000 1.059 577 D CB 0.602 41.399 40.800 -0.004 0.000 1.104 577 D HN 0.570 nan 8.370 nan 0.000 0.566 578 N N -2.361 116.412 118.700 0.121 0.000 2.747 578 N HA -0.233 4.506 4.740 -0.001 0.000 0.249 578 N C -1.253 174.372 175.510 0.191 0.000 1.107 578 N CA 0.164 53.285 53.050 0.119 0.000 0.707 578 N CB -1.914 36.607 38.487 0.055 0.000 1.054 578 N HN 0.423 nan 8.380 nan 0.000 0.555 579 F N 1.504 121.560 119.950 0.177 0.000 2.438 579 F HA 0.324 4.850 4.527 -0.001 0.000 0.356 579 F C 0.745 176.689 175.800 0.240 0.000 1.099 579 F CA -0.401 57.728 58.000 0.216 0.000 1.185 579 F CB 0.690 39.842 39.000 0.253 0.000 1.115 579 F HN 0.147 nan 8.300 nan 0.000 0.526 580 E N 5.702 125.591 120.200 -0.519 0.000 2.113 580 E HA 0.392 4.741 4.350 -0.001 0.000 0.273 580 E C -1.503 174.947 176.600 -0.249 0.000 0.924 580 E CA -0.729 55.550 56.400 -0.203 0.000 0.764 580 E CB 1.194 30.800 29.700 -0.157 0.000 1.104 580 E HN 0.501 nan 8.360 nan 0.000 0.406 581 V N 6.400 126.407 119.914 0.154 0.000 2.461 581 V HA 0.199 4.318 4.120 -0.001 0.000 0.275 581 V C 0.428 176.576 176.094 0.089 0.000 1.047 581 V CA -0.408 61.994 62.300 0.169 0.000 0.955 581 V CB 0.858 32.796 31.823 0.191 0.000 0.988 581 V HN 0.691 nan 8.190 nan 0.000 0.471 582 L N 3.868 125.110 121.223 0.031 0.000 2.421 582 L HA 0.298 4.637 4.340 -0.001 0.000 0.263 582 L C 1.669 178.557 176.870 0.031 0.000 1.122 582 L CA -0.267 54.585 54.840 0.019 0.000 0.804 582 L CB 1.013 43.066 42.059 -0.009 0.000 1.150 582 L HN 0.646 nan 8.230 nan 0.000 0.457 583 T N 0.268 114.840 114.554 0.030 0.000 2.915 583 T HA 0.100 4.449 4.350 -0.001 0.000 0.269 583 T C 0.619 175.330 174.700 0.018 0.000 1.071 583 T CA 1.035 63.153 62.100 0.030 0.000 1.132 583 T CB 0.045 68.931 68.868 0.030 0.000 0.878 583 T HN 0.896 nan 8.240 nan 0.000 0.479 584 G N 0.026 108.832 108.800 0.011 0.000 2.356 584 G HA2 0.306 4.266 3.960 -0.001 0.000 0.281 584 G HA3 0.306 4.266 3.960 -0.001 0.000 0.281 584 G C -2.097 172.803 174.900 -0.000 0.000 1.246 584 G CA -0.862 44.241 45.100 0.005 0.000 0.889 584 G HN 0.024 nan 8.290 nan 0.000 0.486 585 D N 0.804 121.203 120.400 -0.001 0.000 2.378 585 D HA 0.332 4.972 4.640 -0.001 0.000 0.238 585 D C 0.012 176.310 176.300 -0.003 0.000 1.180 585 D CA 0.540 54.535 54.000 -0.007 0.000 0.895 585 D CB 0.763 41.560 40.800 -0.005 0.000 1.192 585 D HN 0.211 nan 8.370 nan 0.000 0.438 586 Q N 0.078 119.870 119.800 -0.014 0.000 2.348 586 Q HA 0.607 4.946 4.340 -0.001 0.000 0.271 586 Q C -0.354 175.652 176.000 0.009 0.000 1.067 586 Q CA -0.987 54.814 55.803 -0.004 0.000 0.839 586 Q CB 2.321 31.041 28.738 -0.031 0.000 1.354 586 Q HN 0.328 nan 8.270 nan 0.000 0.447 587 V N -2.171 117.768 119.914 0.042 0.000 3.007 587 V HA 0.706 4.825 4.120 -0.001 0.000 0.311 587 V C -0.354 175.802 176.094 0.104 0.000 1.120 587 V CA -0.907 61.436 62.300 0.072 0.000 0.980 587 V CB 1.926 33.801 31.823 0.086 0.000 1.033 587 V HN 0.680 nan 8.190 nan 0.000 0.429 588 T N 2.265 116.907 114.554 0.148 0.000 2.767 588 T HA 0.666 5.016 4.350 -0.001 0.000 0.288 588 T C -0.326 174.478 174.700 0.174 0.000 0.963 588 T CA -0.299 61.917 62.100 0.193 0.000 1.019 588 T CB 1.362 70.408 68.868 0.296 0.000 0.923 588 T HN 0.680 nan 8.240 nan 0.000 0.468 589 V N 3.774 123.772 119.914 0.140 0.000 2.555 589 V HA 0.488 4.607 4.120 -0.001 0.000 0.302 589 V C 0.248 176.319 176.094 -0.039 0.000 1.038 589 V CA -1.077 61.203 62.300 -0.034 0.000 0.887 589 V CB 1.829 33.518 31.823 -0.224 0.000 0.991 589 V HN 0.744 nan 8.190 nan 0.000 0.434 590 R N 3.648 124.108 120.500 -0.067 0.000 2.221 590 R HA 0.454 4.794 4.340 -0.001 0.000 0.327 590 R C -1.512 174.718 176.300 -0.117 0.000 1.033 590 R CA -0.260 55.885 56.100 0.074 0.000 0.887 590 R CB 0.430 30.817 30.300 0.146 0.000 1.057 590 R HN 0.504 nan 8.270 nan 0.000 0.455 591 F N 4.054 124.087 119.950 0.139 0.000 2.415 591 F HA 0.370 4.896 4.527 -0.001 0.000 0.348 591 F C -0.221 175.688 175.800 0.181 0.000 1.119 591 F CA -0.622 57.471 58.000 0.154 0.000 1.069 591 F CB 1.950 41.095 39.000 0.242 0.000 1.124 591 F HN 0.110 nan 8.300 nan 0.000 0.472 592 V N 5.465 125.493 119.914 0.190 0.000 2.531 592 V HA 0.484 4.604 4.120 -0.001 0.000 0.301 592 V C -0.727 175.315 176.094 -0.086 0.000 1.034 592 V CA -0.814 61.464 62.300 -0.037 0.000 0.865 592 V CB 2.066 33.674 31.823 -0.359 0.000 0.995 592 V HN 0.650 nan 8.190 nan 0.000 0.424 593 I N 4.498 124.988 120.570 -0.134 0.000 2.466 593 I HA 0.555 4.724 4.170 -0.001 0.000 0.289 593 I C -0.331 175.746 176.117 -0.066 0.000 1.026 593 I CA -0.093 61.058 61.300 -0.249 0.000 1.078 593 I CB 1.741 39.325 38.000 -0.693 0.000 1.249 593 I HN 0.695 nan 8.210 nan 0.000 0.429 594 N N 5.418 124.091 118.700 -0.045 0.000 2.482 594 N HA 0.435 5.174 4.740 -0.001 0.000 0.279 594 N C -0.452 175.076 175.510 0.030 0.000 1.182 594 N CA -0.618 52.430 53.050 -0.002 0.000 0.969 594 N CB 0.442 38.924 38.487 -0.009 0.000 1.201 594 N HN 0.592 nan 8.380 nan 0.000 0.523 595 N N -0.996 117.701 118.700 -0.005 0.000 2.735 595 N HA -0.201 4.539 4.740 -0.001 0.000 0.248 595 N C -1.282 174.193 175.510 -0.059 0.000 1.083 595 N CA 0.709 53.745 53.050 -0.024 0.000 0.703 595 N CB -1.320 37.188 38.487 0.035 0.000 1.005 595 N HN 0.629 nan 8.380 nan 0.000 0.550 596 A N 0.317 123.078 122.820 -0.098 0.000 2.838 596 A HA 0.467 4.787 4.320 -0.001 0.000 0.337 596 A C 0.832 178.308 177.584 -0.180 0.000 1.383 596 A CA -0.214 51.641 52.037 -0.303 0.000 0.985 596 A CB 0.062 18.882 19.000 -0.300 0.000 1.157 596 A HN 0.272 nan 8.150 nan 0.000 0.497 597 T N 0.282 114.706 114.554 -0.217 0.000 2.913 597 T HA 0.596 4.945 4.350 -0.001 0.000 0.297 597 T C 0.312 175.059 174.700 0.079 0.000 1.029 597 T CA 0.186 62.282 62.100 -0.008 0.000 1.104 597 T CB 1.065 69.927 68.868 -0.010 0.000 0.964 597 T HN 0.889 nan 8.240 nan 0.000 0.532 598 T N -1.113 113.639 114.554 0.330 0.000 2.896 598 T HA 0.771 5.120 4.350 -0.001 0.000 0.297 598 T C -0.000 174.775 174.700 0.125 0.000 1.108 598 T CA -0.829 61.371 62.100 0.167 0.000 1.004 598 T CB 1.473 70.485 68.868 0.241 0.000 1.159 598 T HN 1.035 nan 8.240 nan 0.000 0.499 599 A N 1.380 124.234 122.820 0.055 0.000 2.249 599 A HA 0.691 5.011 4.320 -0.001 0.000 0.281 599 A C 0.185 177.787 177.584 0.029 0.000 1.127 599 A CA -0.772 51.286 52.037 0.035 0.000 0.833 599 A CB -0.088 18.924 19.000 0.020 0.000 1.140 599 A HN 1.062 nan 8.150 nan 0.000 0.502 600 L N 0.490 121.720 121.223 0.012 0.000 2.455 600 L HA 0.458 4.798 4.340 -0.001 0.000 0.272 600 L C 1.280 178.164 176.870 0.022 0.000 1.174 600 L CA 1.988 56.832 54.840 0.007 0.000 0.869 600 L CB 0.082 42.140 42.059 -0.002 0.000 1.130 600 L HN 1.581 nan 8.230 nan 0.000 0.474 601 G N 2.675 111.495 108.800 0.033 0.000 2.179 601 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.260 601 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.260 601 G C 0.289 175.227 174.900 0.062 0.000 0.977 601 G CA 0.437 45.565 45.100 0.046 0.000 0.641 601 G HN 0.803 nan 8.290 nan 0.000 0.533 602 Q N 0.259 120.098 119.800 0.065 0.000 2.271 602 Q HA 0.608 4.948 4.340 -0.001 0.000 0.258 602 Q C -0.205 175.839 176.000 0.074 0.000 0.936 602 Q CA -0.537 55.299 55.803 0.055 0.000 0.909 602 Q CB 0.514 29.264 28.738 0.019 0.000 1.253 602 Q HN 0.490 nan 8.270 nan 0.000 0.440 603 N N 0.891 119.617 118.700 0.043 0.000 2.380 603 N HA 0.521 5.260 4.740 -0.001 0.000 0.290 603 N C -1.604 173.645 175.510 -0.435 0.000 1.236 603 N CA -0.625 52.330 53.050 -0.157 0.000 0.780 603 N CB 2.121 40.556 38.487 -0.086 0.000 1.438 603 N HN 0.230 nan 8.380 nan 0.000 0.491 604 V N 1.569 120.830 119.914 -1.089 0.000 2.532 604 V HA 0.571 4.691 4.120 -0.001 0.000 0.295 604 V C -0.896 174.780 176.094 -0.697 0.000 1.041 604 V CA -0.198 61.622 62.300 -0.800 0.000 0.926 604 V CB 0.418 31.479 31.823 -1.271 0.000 0.992 604 V HN 0.490 nan 8.190 nan 0.000 0.457 605 F N 3.288 123.103 119.950 -0.226 0.000 2.650 605 F HA 0.781 5.308 4.527 -0.001 0.000 0.320 605 F C -0.456 175.261 175.800 -0.139 0.000 1.091 605 F CA -0.935 56.938 58.000 -0.212 0.000 0.962 605 F CB 1.900 40.758 39.000 -0.237 0.000 1.363 605 F HN 0.344 nan 8.300 nan 0.000 0.482 606 L N 0.649 121.837 121.223 -0.059 0.000 2.386 606 L HA 0.857 5.196 4.340 -0.001 0.000 0.271 606 L C -0.645 176.075 176.870 -0.251 0.000 0.993 606 L CA 0.180 54.825 54.840 -0.326 0.000 0.819 606 L CB 2.067 43.763 42.059 -0.604 0.000 1.294 606 L HN 0.668 nan 8.230 nan 0.000 0.414 607 T N 2.250 116.682 114.554 -0.204 0.000 2.812 607 T HA 0.962 5.312 4.350 -0.001 0.000 0.294 607 T C -0.620 173.893 174.700 -0.311 0.000 1.159 607 T CA -0.017 61.980 62.100 -0.171 0.000 1.008 607 T CB 1.567 70.442 68.868 0.012 0.000 1.289 607 T HN 1.140 nan 8.240 nan 0.000 0.514 608 G N 1.008 109.426 108.800 -0.637 0.000 2.490 608 G HA2 0.314 4.274 3.960 -0.001 0.000 0.308 608 G HA3 0.314 4.274 3.960 -0.001 0.000 0.308 608 G C -0.593 173.468 174.900 -1.398 0.000 1.286 608 G CA -0.114 44.278 45.100 -1.181 0.000 0.825 608 G HN 0.759 nan 8.290 nan 0.000 0.479 609 N N -0.544 117.557 118.700 -0.999 0.000 2.322 609 N HA 0.146 4.886 4.740 -0.001 0.000 0.216 609 N C 0.285 175.663 175.510 -0.220 0.000 1.144 609 N CA 0.499 53.196 53.050 -0.588 0.000 0.830 609 N CB 0.304 38.767 38.487 -0.040 0.000 1.034 609 N HN 0.935 nan 8.380 nan 0.000 0.484 610 V N -3.693 116.099 119.914 -0.203 0.000 3.102 610 V HA 0.499 4.618 4.120 -0.001 0.000 0.312 610 V C 1.262 177.310 176.094 -0.077 0.000 1.135 610 V CA -0.485 61.768 62.300 -0.078 0.000 1.022 610 V CB 1.173 32.977 31.823 -0.032 0.000 1.056 610 V HN 0.046 nan 8.190 nan 0.000 0.436 611 S N 0.111 115.798 115.700 -0.022 0.000 2.399 611 S HA -0.182 4.288 4.470 -0.001 0.000 0.231 611 S C 1.327 175.918 174.600 -0.015 0.000 1.022 611 S CA 1.627 59.822 58.200 -0.009 0.000 0.983 611 S CB -0.576 62.642 63.200 0.030 0.000 0.803 611 S HN 0.900 nan 8.310 nan 0.000 0.480 612 E N 1.391 121.584 120.200 -0.012 0.000 2.204 612 E HA 0.108 4.457 4.350 -0.001 0.000 0.194 612 E C 1.372 177.954 176.600 -0.030 0.000 0.989 612 E CA 0.686 57.086 56.400 0.001 0.000 0.824 612 E CB -0.317 29.394 29.700 0.018 0.000 0.756 612 E HN 0.538 nan 8.360 nan 0.000 0.477 613 L N -0.967 120.202 121.223 -0.091 0.000 2.741 613 L HA 0.297 4.637 4.340 -0.001 0.000 0.237 613 L C 0.928 177.710 176.870 -0.147 0.000 1.178 613 L CA 0.158 54.905 54.840 -0.156 0.000 0.973 613 L CB 0.181 42.089 42.059 -0.252 0.000 1.255 613 L HN 0.303 nan 8.230 nan 0.000 0.498 614 G N 0.273 109.019 108.800 -0.091 0.000 2.143 614 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.249 614 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.249 614 G C 0.383 175.255 174.900 -0.045 0.000 0.981 614 G CA 0.177 45.243 45.100 -0.057 0.000 0.665 614 G HN 0.595 nan 8.290 nan 0.000 0.528 615 N N -1.517 117.120 118.700 -0.105 0.000 2.699 615 N HA -0.246 4.494 4.740 -0.001 0.000 0.256 615 N C 0.914 176.471 175.510 0.077 0.000 0.993 615 N CA 1.333 54.331 53.050 -0.087 0.000 0.759 615 N CB -1.115 37.380 38.487 0.013 0.000 0.906 615 N HN 1.022 nan 8.380 nan 0.000 0.541 616 W N -3.273 118.080 121.300 0.089 0.000 2.869 616 W HA -0.258 4.401 4.660 -0.001 0.000 0.285 616 W C 0.292 176.925 176.519 0.190 0.000 1.098 616 W CA 0.235 57.675 57.345 0.159 0.000 0.571 616 W CB -1.253 28.262 29.460 0.093 0.000 2.131 616 W HN 0.329 nan 8.180 nan 0.000 1.367 617 D N 0.006 120.562 120.400 0.261 0.000 2.317 617 D HA 0.229 4.868 4.640 -0.001 0.000 0.234 617 D C -1.015 175.335 176.300 0.084 0.000 1.112 617 D CA -2.230 51.876 54.000 0.176 0.000 0.840 617 D CB 1.363 42.217 40.800 0.090 0.000 1.078 617 D HN -0.226 nan 8.370 nan 0.000 0.486 618 P HA -0.102 nan 4.420 nan 0.000 0.219 618 P C 0.881 178.056 177.300 -0.208 0.000 1.146 618 P CA 0.767 63.773 63.100 -0.155 0.000 0.808 618 P CB 0.293 31.881 31.700 -0.187 0.000 0.779 619 N N -0.946 117.685 118.700 -0.115 0.000 2.381 619 N HA -0.054 4.686 4.740 -0.001 0.000 0.182 619 N C 0.787 176.235 175.510 -0.105 0.000 1.025 619 N CA 0.880 53.858 53.050 -0.119 0.000 0.888 619 N CB -0.391 38.058 38.487 -0.063 0.000 0.965 619 N HN 0.206 nan 8.380 nan 0.000 0.438 620 N N 0.376 119.030 118.700 -0.075 0.000 2.204 620 N HA 0.142 4.881 4.740 -0.001 0.000 0.219 620 N C -0.118 175.356 175.510 -0.060 0.000 1.151 620 N CA -0.126 52.892 53.050 -0.054 0.000 0.867 620 N CB 0.729 39.200 38.487 -0.027 0.000 1.043 620 N HN 0.086 nan 8.380 nan 0.000 0.516 621 A N 0.876 123.636 122.820 -0.099 0.000 2.406 621 A HA 0.265 4.585 4.320 -0.001 0.000 0.243 621 A C 0.397 178.003 177.584 0.035 0.000 1.082 621 A CA -0.070 51.926 52.037 -0.068 0.000 0.786 621 A CB 0.311 19.227 19.000 -0.141 0.000 1.029 621 A HN 0.066 nan 8.150 nan 0.000 0.495 622 I N 1.499 122.068 120.570 -0.001 0.000 2.416 622 I HA 0.544 4.714 4.170 -0.001 0.000 0.288 622 I C 1.000 177.027 176.117 -0.150 0.000 1.051 622 I CA 1.264 62.535 61.300 -0.047 0.000 1.375 622 I CB -0.408 37.542 38.000 -0.084 0.000 1.407 622 I HN 1.007 nan 8.210 nan 0.000 0.516 623 G N 8.349 116.954 108.800 -0.324 0.000 2.350 623 G HA2 0.131 4.090 3.960 -0.001 0.000 0.282 623 G HA3 0.131 4.090 3.960 -0.001 0.000 0.282 623 G C -3.154 171.428 174.900 -0.529 0.000 1.314 623 G CA -0.848 43.755 45.100 -0.829 0.000 0.915 623 G HN 0.418 nan 8.290 nan 0.000 0.499 624 P HA 0.342 nan 4.420 nan 0.000 0.271 624 P C 0.311 177.117 177.300 -0.822 0.000 1.216 624 P CA 0.027 62.480 63.100 -1.078 0.000 0.776 624 P CB 0.482 31.832 31.700 -0.582 0.000 0.881 625 M N 1.880 121.051 119.600 -0.715 0.000 2.207 625 M HA 0.119 4.598 4.480 -0.001 0.000 0.311 625 M C 0.275 176.615 176.300 0.067 0.000 1.127 625 M CA 0.370 55.405 55.300 -0.441 0.000 1.181 625 M CB -0.076 32.477 32.600 -0.079 0.000 1.409 625 M HN 0.276 nan 8.290 nan 0.000 0.461 626 Y N 1.265 121.549 120.300 -0.026 0.000 2.354 626 Y HA 0.257 4.806 4.550 -0.001 0.000 0.322 626 Y C 0.637 176.357 175.900 -0.300 0.000 1.253 626 Y CA -1.363 56.579 58.100 -0.264 0.000 1.272 626 Y CB 0.533 38.606 38.460 -0.645 0.000 1.255 626 Y HN 0.698 nan 8.280 nan 0.000 0.500 627 N N -1.307 117.350 118.700 -0.071 0.000 2.423 627 N HA 0.087 4.827 4.740 -0.001 0.000 0.262 627 N C -0.472 175.018 175.510 -0.034 0.000 1.467 627 N CA -0.123 52.847 53.050 -0.133 0.000 0.847 627 N CB -0.175 37.803 38.487 -0.848 0.000 1.394 627 N HN 0.662 nan 8.380 nan 0.000 0.495 628 Q N -0.658 119.180 119.800 0.063 0.000 2.586 628 Q HA 0.336 4.675 4.340 -0.001 0.000 0.243 628 Q C 0.988 176.952 176.000 -0.059 0.000 0.846 628 Q CA 0.389 56.178 55.803 -0.024 0.000 0.959 628 Q CB 0.963 29.656 28.738 -0.074 0.000 1.227 628 Q HN 0.103 nan 8.270 nan 0.000 0.611 629 V N -0.010 119.852 119.914 -0.087 0.000 2.502 629 V HA -0.060 4.060 4.120 -0.001 0.000 0.234 629 V C 1.997 177.690 176.094 -0.668 0.000 1.072 629 V CA 0.927 63.020 62.300 -0.345 0.000 1.094 629 V CB -0.199 31.404 31.823 -0.365 0.000 0.761 629 V HN 0.071 nan 8.190 nan 0.000 0.489 630 V N -1.409 117.930 119.914 -0.958 0.000 2.515 630 V HA -0.068 4.051 4.120 -0.001 0.000 0.250 630 V C 0.551 175.970 176.094 -1.125 0.000 1.058 630 V CA 1.463 63.011 62.300 -1.253 0.000 1.064 630 V CB -0.606 30.294 31.823 -1.538 0.000 0.675 630 V HN 0.514 nan 8.190 nan 0.000 0.461 631 Y N -1.699 118.211 120.300 -0.650 0.000 2.562 631 Y HA 0.671 5.221 4.550 -0.001 0.000 0.345 631 Y C -0.339 175.513 175.900 -0.080 0.000 1.045 631 Y CA -1.242 56.698 58.100 -0.268 0.000 1.028 631 Y CB 1.751 40.106 38.460 -0.175 0.000 1.297 631 Y HN -0.049 nan 8.280 nan 0.000 0.463 632 Q N 0.666 120.522 119.800 0.094 0.000 2.342 632 Q HA 0.328 4.668 4.340 -0.001 0.000 0.267 632 Q C -1.396 174.610 176.000 0.010 0.000 1.038 632 Q CA -1.022 54.803 55.803 0.036 0.000 0.832 632 Q CB 1.685 30.429 28.738 0.010 0.000 1.323 632 Q HN 0.581 nan 8.270 nan 0.000 0.448 633 Y N 4.246 124.427 120.300 -0.198 0.000 2.987 633 Y HA -0.048 4.501 4.550 -0.001 0.000 0.339 633 Y C -1.212 174.631 175.900 -0.094 0.000 1.272 633 Y CA -0.414 57.527 58.100 -0.265 0.000 1.562 633 Y CB 0.705 38.964 38.460 -0.335 0.000 1.253 633 Y HN 0.567 nan 8.280 nan 0.000 0.604 634 P HA 0.049 nan 4.420 nan 0.000 0.255 634 P C -0.718 176.436 177.300 -0.243 0.000 1.427 634 P CA 0.122 62.648 63.100 -0.958 0.000 0.863 634 P CB -0.094 31.092 31.700 -0.857 0.000 1.444 635 T N 0.649 115.125 114.554 -0.130 0.000 2.799 635 T HA 0.331 4.681 4.350 -0.001 0.000 0.286 635 T C -0.677 174.082 174.700 0.098 0.000 0.973 635 T CA 0.054 62.181 62.100 0.045 0.000 1.035 635 T CB 0.718 69.610 68.868 0.041 0.000 0.932 635 T HN 0.041 nan 8.240 nan 0.000 0.469 636 W N 2.748 124.068 121.300 0.032 0.000 2.706 636 W HA 0.646 5.305 4.660 -0.001 0.000 0.346 636 W C -0.734 175.893 176.519 0.181 0.000 1.071 636 W CA -0.938 56.478 57.345 0.118 0.000 1.206 636 W CB 0.998 30.471 29.460 0.022 0.000 1.413 636 W HN 0.712 nan 8.180 nan 0.000 0.542 637 Y N -0.183 120.313 120.300 0.326 0.000 2.597 637 Y HA 0.792 5.341 4.550 -0.001 0.000 0.340 637 Y C -2.029 174.134 175.900 0.437 0.000 1.097 637 Y CA -2.457 55.811 58.100 0.280 0.000 1.037 637 Y CB 1.506 40.092 38.460 0.210 0.000 1.305 637 Y HN 0.453 nan 8.280 nan 0.000 0.463 638 Y N 0.687 121.138 120.300 0.251 0.000 2.521 638 Y HA 0.359 4.908 4.550 -0.001 0.000 0.328 638 Y C -1.839 174.257 175.900 0.327 0.000 1.151 638 Y CA -1.561 56.619 58.100 0.133 0.000 1.054 638 Y CB 1.873 40.325 38.460 -0.014 0.000 1.338 638 Y HN 0.796 nan 8.280 nan 0.000 0.453 639 D N 3.797 124.232 120.400 0.059 0.000 2.317 639 D HA 0.531 5.171 4.640 -0.001 0.000 0.234 639 D C -0.968 175.431 176.300 0.165 0.000 1.112 639 D CA 0.101 54.221 54.000 0.200 0.000 0.840 639 D CB 1.888 42.842 40.800 0.258 0.000 1.078 639 D HN 0.192 nan 8.370 nan 0.000 0.486 640 V N 1.428 121.529 119.914 0.311 0.000 2.656 640 V HA 0.280 4.400 4.120 -0.001 0.000 0.307 640 V C 0.295 176.543 176.094 0.256 0.000 1.051 640 V CA -0.852 61.633 62.300 0.307 0.000 0.893 640 V CB 2.130 34.168 31.823 0.358 0.000 0.999 640 V HN 0.462 nan 8.190 nan 0.000 0.426 641 S N 3.070 118.885 115.700 0.191 0.000 2.523 641 S HA 0.664 5.133 4.470 -0.001 0.000 0.275 641 S C -0.661 174.012 174.600 0.121 0.000 1.281 641 S CA -0.178 58.096 58.200 0.123 0.000 1.050 641 S CB 0.899 64.131 63.200 0.054 0.000 0.937 641 S HN 0.612 nan 8.310 nan 0.000 0.492 642 V N 6.650 126.632 119.914 0.113 0.000 3.087 642 V HA 0.614 4.733 4.120 -0.001 0.000 0.306 642 V C -2.389 173.752 176.094 0.079 0.000 1.187 642 V CA -2.075 60.291 62.300 0.110 0.000 0.999 642 V CB 2.804 34.742 31.823 0.192 0.000 1.049 642 V HN 0.799 nan 8.190 nan 0.000 0.431 643 P HA 0.231 nan 4.420 nan 0.000 0.271 643 P C -0.761 176.566 177.300 0.045 0.000 1.216 643 P CA 0.068 63.194 63.100 0.042 0.000 0.771 643 P CB 0.920 32.641 31.700 0.035 0.000 0.864 644 A N 2.838 125.677 122.820 0.031 0.000 2.388 644 A HA 0.513 4.833 4.320 -0.001 0.000 0.257 644 A C 1.355 178.945 177.584 0.011 0.000 1.095 644 A CA 0.336 52.388 52.037 0.025 0.000 0.791 644 A CB -0.943 18.069 19.000 0.019 0.000 1.029 644 A HN 0.842 nan 8.150 nan 0.000 0.489 645 G N 0.727 109.524 108.800 -0.005 0.000 2.176 645 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.252 645 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.252 645 G C -0.087 174.801 174.900 -0.019 0.000 1.024 645 G CA 0.704 45.793 45.100 -0.017 0.000 0.755 645 G HN 1.722 nan 8.290 nan 0.000 0.507 646 Q N -1.737 118.051 119.800 -0.020 0.000 2.565 646 Q HA 0.703 5.042 4.340 -0.001 0.000 0.294 646 Q C -0.855 175.141 176.000 -0.006 0.000 1.005 646 Q CA -0.852 54.946 55.803 -0.007 0.000 0.771 646 Q CB 0.880 29.628 28.738 0.017 0.000 1.486 646 Q HN 0.106 nan 8.270 nan 0.000 0.422 647 T N 2.633 117.198 114.554 0.018 0.000 2.723 647 T HA 0.447 4.797 4.350 -0.001 0.000 0.297 647 T C 0.253 175.023 174.700 0.116 0.000 0.925 647 T CA -0.514 61.618 62.100 0.053 0.000 1.030 647 T CB -0.337 68.561 68.868 0.050 0.000 0.905 647 T HN 0.471 nan 8.240 nan 0.000 0.502 648 I N 0.348 121.035 120.570 0.194 0.000 2.783 648 I HA 0.703 4.873 4.170 -0.001 0.000 0.312 648 I C -0.105 176.221 176.117 0.349 0.000 0.988 648 I CA -0.969 60.470 61.300 0.230 0.000 1.182 648 I CB 1.475 39.608 38.000 0.222 0.000 1.368 648 I HN 0.381 nan 8.210 nan 0.000 0.511 649 E N 2.926 123.301 120.200 0.291 0.000 2.227 649 E HA 0.674 5.024 4.350 -0.001 0.000 0.268 649 E C -1.544 175.224 176.600 0.280 0.000 0.907 649 E CA -0.596 55.991 56.400 0.312 0.000 0.786 649 E CB 2.518 32.440 29.700 0.370 0.000 1.191 649 E HN 0.578 nan 8.360 nan 0.000 0.411 650 F N -0.717 119.319 119.950 0.143 0.000 2.773 650 F HA 0.636 5.162 4.527 -0.001 0.000 0.314 650 F C -1.531 174.395 175.800 0.210 0.000 1.160 650 F CA -1.102 56.883 58.000 -0.026 0.000 0.920 650 F CB 1.289 40.167 39.000 -0.202 0.000 1.323 650 F HN 0.107 nan 8.300 nan 0.000 0.457 651 K N 0.953 121.532 120.400 0.298 0.000 2.551 651 K HA 0.550 4.870 4.320 -0.001 0.000 0.269 651 K C -2.005 174.674 176.600 0.132 0.000 0.949 651 K CA -0.656 55.800 56.287 0.283 0.000 0.849 651 K CB 2.938 35.758 32.500 0.535 0.000 1.411 651 K HN 0.563 nan 8.250 nan 0.000 0.432 652 F N 1.780 121.846 119.950 0.192 0.000 2.408 652 F HA 0.603 5.129 4.527 -0.001 0.000 0.325 652 F C 0.337 176.227 175.800 0.150 0.000 1.082 652 F CA -0.720 57.381 58.000 0.169 0.000 1.032 652 F CB 0.925 40.060 39.000 0.225 0.000 1.259 652 F HN 0.303 nan 8.300 nan 0.000 0.503 653 L N -1.125 120.302 121.223 0.339 0.000 2.540 653 L HA 0.683 5.022 4.340 -0.001 0.000 0.256 653 L C -1.699 175.277 176.870 0.177 0.000 1.001 653 L CA -1.264 53.678 54.840 0.169 0.000 0.843 653 L CB 2.238 44.013 42.059 -0.474 0.000 1.436 653 L HN 0.410 nan 8.230 nan 0.000 0.410 654 K N 1.268 121.720 120.400 0.085 0.000 2.164 654 K HA 0.667 4.987 4.320 -0.001 0.000 0.258 654 K C -1.200 175.371 176.600 -0.048 0.000 0.951 654 K CA -0.846 55.417 56.287 -0.040 0.000 0.844 654 K CB 2.234 34.631 32.500 -0.172 0.000 1.099 654 K HN 0.488 nan 8.250 nan 0.000 0.435 655 K N 2.436 122.839 120.400 0.004 0.000 2.422 655 K HA 0.231 4.551 4.320 -0.001 0.000 0.251 655 K C -1.282 175.312 176.600 -0.011 0.000 0.933 655 K CA -0.831 55.394 56.287 -0.104 0.000 0.798 655 K CB 2.294 34.578 32.500 -0.360 0.000 1.238 655 K HN 0.609 nan 8.250 nan 0.000 0.428 656 Q N 1.152 120.932 119.800 -0.034 0.000 2.269 656 Q HA 0.478 4.818 4.340 -0.001 0.000 0.263 656 Q C 0.293 176.280 176.000 -0.021 0.000 0.983 656 Q CA -0.779 55.023 55.803 -0.003 0.000 0.777 656 Q CB 1.781 30.521 28.738 0.004 0.000 1.273 656 Q HN 0.735 nan 8.270 nan 0.000 0.440 657 G N 2.983 111.773 108.800 -0.017 0.000 2.629 657 G HA2 -0.449 3.511 3.960 -0.001 0.000 0.313 657 G HA3 -0.449 3.511 3.960 -0.001 0.000 0.313 657 G C 0.732 175.602 174.900 -0.051 0.000 1.217 657 G CA 0.769 45.854 45.100 -0.025 0.000 0.994 657 G HN 1.163 nan 8.290 nan 0.000 0.549 658 S N -0.416 115.260 115.700 -0.040 0.000 2.575 658 S HA 0.407 4.877 4.470 -0.001 0.000 0.215 658 S C 0.747 175.319 174.600 -0.047 0.000 0.966 658 S CA 1.177 59.349 58.200 -0.047 0.000 0.911 658 S CB 0.429 63.612 63.200 -0.028 0.000 0.780 658 S HN 0.877 nan 8.310 nan 0.000 0.514 659 T N 2.640 117.168 114.554 -0.043 0.000 2.799 659 T HA 0.547 4.897 4.350 -0.001 0.000 0.286 659 T C -0.477 174.184 174.700 -0.065 0.000 0.973 659 T CA -0.396 61.686 62.100 -0.031 0.000 1.035 659 T CB 1.670 70.531 68.868 -0.011 0.000 0.932 659 T HN 0.025 nan 8.240 nan 0.000 0.469 660 V N 3.917 123.794 119.914 -0.063 0.000 2.417 660 V HA 0.442 4.562 4.120 -0.001 0.000 0.291 660 V C 0.144 176.207 176.094 -0.052 0.000 1.024 660 V CA -0.711 61.505 62.300 -0.140 0.000 0.861 660 V CB 1.844 33.548 31.823 -0.197 0.000 0.985 660 V HN 0.988 nan 8.190 nan 0.000 0.436 661 T N 4.384 118.914 114.554 -0.039 0.000 2.772 661 T HA 0.399 4.748 4.350 -0.001 0.000 0.288 661 T C -0.647 174.162 174.700 0.182 0.000 0.994 661 T CA -0.276 61.900 62.100 0.127 0.000 0.951 661 T CB 0.465 69.427 68.868 0.158 0.000 0.933 661 T HN 0.543 nan 8.240 nan 0.000 0.447 662 W N 2.826 124.224 121.300 0.164 0.000 2.313 662 W HA 0.370 5.030 4.660 -0.001 0.000 0.328 662 W C 0.957 177.480 176.519 0.007 0.000 1.197 662 W CA -0.988 56.421 57.345 0.106 0.000 1.235 662 W CB 0.565 30.036 29.460 0.018 0.000 1.158 662 W HN 0.655 nan 8.180 nan 0.000 0.578 663 E N 1.539 121.706 120.200 -0.055 0.000 2.374 663 E HA 0.515 4.864 4.350 -0.001 0.000 0.260 663 E C 0.642 177.118 176.600 -0.207 0.000 1.101 663 E CA -0.618 55.420 56.400 -0.602 0.000 0.907 663 E CB 0.772 29.661 29.700 -1.352 0.000 1.014 663 E HN 0.478 nan 8.360 nan 0.000 0.427 664 G N 0.261 108.927 108.800 -0.223 0.000 2.535 664 G HA2 0.504 4.463 3.960 -0.001 0.000 0.282 664 G HA3 0.504 4.463 3.960 -0.001 0.000 0.282 664 G C 0.462 175.282 174.900 -0.134 0.000 1.350 664 G CA -0.246 44.784 45.100 -0.117 0.000 1.039 664 G HN 0.979 nan 8.290 nan 0.000 0.509 665 G N -1.718 107.022 108.800 -0.100 0.000 2.741 665 G HA2 0.369 4.329 3.960 -0.001 0.000 0.222 665 G HA3 0.369 4.329 3.960 -0.001 0.000 0.222 665 G C 0.358 175.196 174.900 -0.103 0.000 1.364 665 G CA 0.083 45.128 45.100 -0.092 0.000 0.866 665 G HN 2.003 nan 8.290 nan 0.000 0.555 666 A N -0.066 122.701 122.820 -0.088 0.000 2.366 666 A HA 0.597 4.917 4.320 -0.001 0.000 0.249 666 A C 0.779 178.305 177.584 -0.097 0.000 1.084 666 A CA 0.211 52.193 52.037 -0.092 0.000 0.794 666 A CB 0.106 19.067 19.000 -0.066 0.000 1.034 666 A HN 0.998 nan 8.150 nan 0.000 0.491 667 N N 0.739 119.382 118.700 -0.096 0.000 2.441 667 N HA 0.125 4.864 4.740 -0.001 0.000 0.251 667 N C 0.041 175.482 175.510 -0.116 0.000 1.242 667 N CA 0.371 53.382 53.050 -0.065 0.000 0.898 667 N CB 0.322 38.822 38.487 0.020 0.000 1.100 667 N HN 0.551 nan 8.380 nan 0.000 0.443 668 R N 0.054 120.383 120.500 -0.286 0.000 2.531 668 R HA 0.399 4.739 4.340 -0.001 0.000 0.273 668 R C 0.240 176.287 176.300 -0.421 0.000 1.070 668 R CA -0.389 55.421 56.100 -0.484 0.000 1.112 668 R CB 0.598 30.287 30.300 -1.017 0.000 1.049 668 R HN 0.611 nan 8.270 nan 0.000 0.508 669 T N -1.259 113.242 114.554 -0.090 0.000 2.907 669 T HA 0.684 5.034 4.350 -0.001 0.000 0.292 669 T C -0.943 174.062 174.700 0.509 0.000 1.043 669 T CA -0.773 61.445 62.100 0.197 0.000 1.003 669 T CB 1.522 70.475 68.868 0.141 0.000 1.084 669 T HN 0.454 nan 8.240 nan 0.000 0.483 670 F N 0.636 120.818 119.950 0.387 0.000 2.622 670 F HA 0.498 5.024 4.527 -0.001 0.000 0.318 670 F C -1.058 174.860 175.800 0.196 0.000 1.135 670 F CA -0.564 57.627 58.000 0.319 0.000 1.015 670 F CB 1.878 41.124 39.000 0.410 0.000 1.275 670 F HN 0.739 nan 8.300 nan 0.000 0.457 671 T N 4.256 118.432 114.554 -0.629 0.000 2.728 671 T HA 0.395 4.744 4.350 -0.001 0.000 0.296 671 T C 0.109 174.322 174.700 -0.811 0.000 0.940 671 T CA -0.291 61.507 62.100 -0.503 0.000 1.013 671 T CB 0.416 69.106 68.868 -0.296 0.000 0.912 671 T HN 0.709 nan 8.240 nan 0.000 0.484 672 T N 3.139 117.456 114.554 -0.396 0.000 2.899 672 T HA 0.379 4.728 4.350 -0.001 0.000 0.295 672 T C -2.256 172.365 174.700 -0.131 0.000 1.033 672 T CA -1.705 60.268 62.100 -0.210 0.000 1.084 672 T CB 0.424 69.305 68.868 0.021 0.000 0.979 672 T HN 0.246 nan 8.240 nan 0.000 0.532 673 P HA 0.107 nan 4.420 nan 0.000 0.271 673 P C 1.047 178.352 177.300 0.009 0.000 1.233 673 P CA -0.291 62.807 63.100 -0.004 0.000 0.789 673 P CB 0.499 32.227 31.700 0.046 0.000 0.951 674 T N -2.770 111.789 114.554 0.009 0.000 3.043 674 T HA 0.096 4.446 4.350 -0.001 0.000 0.263 674 T C 0.864 175.578 174.700 0.023 0.000 1.094 674 T CA 0.533 62.640 62.100 0.012 0.000 1.127 674 T CB -0.389 68.482 68.868 0.006 0.000 0.905 674 T HN 0.690 nan 8.240 nan 0.000 0.490 675 S N -1.156 114.565 115.700 0.035 0.000 2.615 675 S HA 0.678 5.147 4.470 -0.001 0.000 0.269 675 S C 0.149 174.790 174.600 0.068 0.000 1.161 675 S CA -0.405 57.824 58.200 0.048 0.000 0.817 675 S CB 1.297 64.520 63.200 0.038 0.000 1.131 675 S HN 1.448 nan 8.310 nan 0.000 0.467 676 G N 0.627 109.482 108.800 0.092 0.000 2.632 676 G HA2 0.239 4.198 3.960 -0.001 0.000 0.224 676 G HA3 0.239 4.198 3.960 -0.001 0.000 0.224 676 G C -0.092 174.886 174.900 0.130 0.000 1.341 676 G CA 0.314 45.481 45.100 0.111 0.000 0.880 676 G HN 2.257 nan 8.290 nan 0.000 0.566 677 T N -2.355 112.278 114.554 0.131 0.000 2.905 677 T HA 1.037 5.387 4.350 -0.001 0.000 0.283 677 T C 0.064 174.837 174.700 0.122 0.000 1.031 677 T CA 0.478 62.663 62.100 0.142 0.000 1.002 677 T CB 1.885 70.849 68.868 0.161 0.000 1.200 677 T HN 2.597 nan 8.240 nan 0.000 0.560 678 A N 0.222 123.108 122.820 0.110 0.000 2.606 678 A HA 0.756 5.076 4.320 -0.001 0.000 0.293 678 A C -0.602 176.977 177.584 -0.007 0.000 1.082 678 A CA -0.906 51.195 52.037 0.106 0.000 0.685 678 A CB 1.504 20.654 19.000 0.249 0.000 1.284 678 A HN 0.885 nan 8.150 nan 0.000 0.408 679 T N 0.823 115.350 114.554 -0.044 0.000 2.841 679 T HA 0.575 4.924 4.350 -0.001 0.000 0.283 679 T C -0.963 173.574 174.700 -0.272 0.000 1.000 679 T CA -0.367 61.655 62.100 -0.131 0.000 0.977 679 T CB 1.465 70.328 68.868 -0.009 0.000 0.979 679 T HN 0.606 nan 8.240 nan 0.000 0.446 680 V N 4.295 123.955 119.914 -0.424 0.000 2.384 680 V HA 0.501 4.621 4.120 -0.001 0.000 0.287 680 V C -0.240 175.769 176.094 -0.141 0.000 1.020 680 V CA -0.835 61.207 62.300 -0.431 0.000 0.850 680 V CB 1.475 32.885 31.823 -0.688 0.000 0.987 680 V HN 0.767 nan 8.190 nan 0.000 0.436 681 N N 4.451 123.115 118.700 -0.060 0.000 2.483 681 N HA 0.612 5.352 4.740 -0.001 0.000 0.267 681 N C -0.871 174.647 175.510 0.013 0.000 0.998 681 N CA -0.101 52.928 53.050 -0.035 0.000 0.918 681 N CB 2.070 40.536 38.487 -0.035 0.000 1.215 681 N HN 0.548 nan 8.380 nan 0.000 0.500 682 V N 0.988 120.911 119.914 0.015 0.000 3.156 682 V HA 0.727 4.847 4.120 -0.001 0.000 0.311 682 V C -0.694 175.391 176.094 -0.013 0.000 1.208 682 V CA -1.023 61.299 62.300 0.037 0.000 1.063 682 V CB 2.213 34.114 31.823 0.130 0.000 1.098 682 V HN 0.473 nan 8.190 nan 0.000 0.452 683 N N 0.863 119.568 118.700 0.009 0.000 2.284 683 N HA 0.252 4.992 4.740 -0.001 0.000 0.300 683 N C -1.013 174.534 175.510 0.061 0.000 1.047 683 N CA -0.272 52.797 53.050 0.031 0.000 0.821 683 N CB 2.317 40.830 38.487 0.042 0.000 1.337 683 N HN 1.041 nan 8.380 nan 0.000 0.482 684 W N 2.567 123.819 121.300 -0.081 0.000 2.347 684 W HA -0.024 4.636 4.660 -0.001 0.000 0.333 684 W C -0.450 176.067 176.519 -0.002 0.000 1.383 684 W CA 0.519 57.832 57.345 -0.053 0.000 1.283 684 W CB 0.515 29.938 29.460 -0.061 0.000 1.253 684 W HN 0.308 nan 8.180 nan 0.000 0.563 685 Q N 8.574 128.087 119.800 -0.479 0.000 2.360 685 Q HA 0.275 4.614 4.340 -0.001 0.000 0.254 685 Q C -1.831 173.903 176.000 -0.444 0.000 0.975 685 Q CA -1.819 53.797 55.803 -0.312 0.000 0.912 685 Q CB 1.429 30.018 28.738 -0.250 0.000 1.212 685 Q HN 0.290 nan 8.270 nan 0.000 0.452 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.151 63.100 0.086 0.000 0.800 686 P CB 0.000 31.806 31.700 0.177 0.000 0.726