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 1v3k_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 LDYRFAQKAR 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 -0.033 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 2 P HA 0.192 nan 4.420 nan 0.000 0.272 2 P C 0.052 177.322 177.300 -0.051 0.000 1.240 2 P CA 0.268 63.343 63.100 -0.041 0.000 0.791 2 P CB 0.520 32.193 31.700 -0.045 0.000 0.978 3 D N 0.039 120.415 120.400 -0.041 0.000 2.182 3 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 3 D C 1.130 177.388 176.300 -0.068 0.000 0.986 3 D CA 2.100 56.081 54.000 -0.031 0.000 0.847 3 D CB -1.474 39.341 40.800 0.025 0.000 0.942 3 D HN 0.451 nan 8.370 nan 0.000 0.467 4 T N -2.576 111.928 114.554 -0.083 0.000 3.113 4 T HA 0.030 4.380 4.350 -0.000 0.000 0.256 4 T C 1.127 175.745 174.700 -0.136 0.000 1.131 4 T CA 0.077 62.105 62.100 -0.120 0.000 1.074 4 T CB -0.272 68.532 68.868 -0.106 0.000 0.944 4 T HN 0.161 nan 8.240 nan 0.000 0.516 5 S N 0.471 116.098 115.700 -0.121 0.000 2.563 5 S HA 0.104 4.574 4.470 -0.000 0.000 0.284 5 S C 1.460 175.956 174.600 -0.174 0.000 1.331 5 S CA -0.278 57.845 58.200 -0.128 0.000 1.047 5 S CB 1.033 64.169 63.200 -0.107 0.000 0.859 5 S HN 0.223 nan 8.310 nan 0.000 0.514 6 V N 4.242 124.051 119.914 -0.174 0.000 2.720 6 V HA -0.074 4.046 4.120 -0.000 0.000 0.256 6 V C 2.158 178.098 176.094 -0.256 0.000 1.082 6 V CA 2.433 64.603 62.300 -0.217 0.000 1.101 6 V CB -0.767 30.950 31.823 -0.177 0.000 0.693 6 V HN 1.024 nan 8.190 nan 0.000 0.479 7 S N -0.015 115.560 115.700 -0.208 0.000 2.607 7 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 7 S C 1.071 175.584 174.600 -0.144 0.000 0.969 7 S CA 0.321 58.406 58.200 -0.191 0.000 0.927 7 S CB -0.684 62.430 63.200 -0.143 0.000 0.772 7 S HN 0.622 nan 8.310 nan 0.000 0.533 8 N N 2.497 121.101 118.700 -0.159 0.000 2.549 8 N HA 0.165 4.905 4.740 -0.000 0.000 0.267 8 N C 0.382 175.825 175.510 -0.112 0.000 1.182 8 N CA -0.019 52.957 53.050 -0.123 0.000 1.019 8 N CB 0.257 38.659 38.487 -0.142 0.000 1.380 8 N HN 0.411 nan 8.380 nan 0.000 0.505 9 K N 1.602 121.999 120.400 -0.005 0.000 2.486 9 K HA -0.020 4.300 4.320 -0.000 0.000 0.194 9 K C 0.851 177.627 176.600 0.294 0.000 1.033 9 K CA 0.630 57.010 56.287 0.155 0.000 1.004 9 K CB 0.460 33.044 32.500 0.141 0.000 0.798 9 K HN 0.411 nan 8.250 nan 0.000 0.495 10 Q N 0.318 120.224 119.800 0.177 0.000 2.302 10 Q HA 0.081 4.421 4.340 -0.000 0.000 0.202 10 Q C -0.348 175.797 176.000 0.242 0.000 0.936 10 Q CA 0.770 56.698 55.803 0.209 0.000 0.886 10 Q CB 0.459 29.267 28.738 0.117 0.000 0.986 10 Q HN 0.238 nan 8.270 nan 0.000 0.487 11 N N -1.086 117.704 118.700 0.150 0.000 2.260 11 N HA 0.372 5.111 4.740 -0.000 0.000 0.293 11 N C -1.268 174.216 175.510 -0.044 0.000 1.058 11 N CA -0.385 52.684 53.050 0.032 0.000 0.824 11 N CB 1.249 39.746 38.487 0.017 0.000 1.551 11 N HN -0.110 nan 8.380 nan 0.000 0.475 12 F N 0.245 119.805 119.950 -0.651 0.000 2.735 12 F HA 0.258 4.785 4.527 -0.000 0.000 0.308 12 F C 1.390 176.912 175.800 -0.463 0.000 1.112 12 F CA -0.294 57.337 58.000 -0.615 0.000 1.235 12 F CB 0.422 38.845 39.000 -0.962 0.000 1.027 12 F HN 0.422 nan 8.300 nan 0.000 0.528 13 S N -0.866 114.693 115.700 -0.235 0.000 2.447 13 S HA -0.157 4.313 4.470 -0.000 0.000 0.233 13 S C 2.086 176.475 174.600 -0.351 0.000 1.006 13 S CA 1.678 59.710 58.200 -0.280 0.000 0.957 13 S CB -0.621 62.401 63.200 -0.296 0.000 0.773 13 S HN 0.519 nan 8.310 nan 0.000 0.507 14 T N -0.448 113.897 114.554 -0.349 0.000 3.129 14 T HA 0.124 4.473 4.350 -0.000 0.000 0.251 14 T C 0.104 174.655 174.700 -0.248 0.000 1.117 14 T CA -0.106 61.794 62.100 -0.334 0.000 1.034 14 T CB -0.095 68.596 68.868 -0.297 0.000 0.968 14 T HN 0.127 nan 8.240 nan 0.000 0.526 15 D N 0.934 121.202 120.400 -0.220 0.000 2.326 15 D HA 0.513 5.153 4.640 -0.000 0.000 0.251 15 D C -0.809 175.442 176.300 -0.082 0.000 1.023 15 D CA -0.460 53.447 54.000 -0.154 0.000 0.966 15 D CB 2.538 43.244 40.800 -0.157 0.000 1.156 15 D HN 0.021 nan 8.370 nan 0.000 0.494 16 V N 2.060 121.953 119.914 -0.035 0.000 2.444 16 V HA 0.324 4.444 4.120 -0.000 0.000 0.294 16 V C 0.283 176.439 176.094 0.103 0.000 1.022 16 V CA -0.715 61.594 62.300 0.016 0.000 0.850 16 V CB 1.474 33.290 31.823 -0.011 0.000 0.992 16 V HN 0.365 nan 8.190 nan 0.000 0.426 17 I N 4.612 125.286 120.570 0.173 0.000 2.428 17 I HA 0.298 4.467 4.170 -0.000 0.000 0.289 17 I C -0.725 175.596 176.117 0.339 0.000 1.019 17 I CA -0.341 61.132 61.300 0.288 0.000 1.351 17 I CB 0.755 38.961 38.000 0.343 0.000 1.412 17 I HN 0.615 nan 8.210 nan 0.000 0.513 18 Y N 6.250 126.668 120.300 0.196 0.000 2.356 18 Y HA 0.252 4.802 4.550 -0.000 0.000 0.334 18 Y C 0.061 176.071 175.900 0.183 0.000 0.958 18 Y CA -0.542 57.654 58.100 0.161 0.000 1.196 18 Y CB 0.974 39.483 38.460 0.080 0.000 1.137 18 Y HN 0.509 nan 8.280 nan 0.000 0.485 19 Q N 6.934 126.709 119.800 -0.041 0.000 2.294 19 Q HA 0.431 4.771 4.340 -0.000 0.000 0.257 19 Q C -1.398 174.469 176.000 -0.222 0.000 0.955 19 Q CA -0.240 55.470 55.803 -0.154 0.000 0.936 19 Q CB 0.597 29.165 28.738 -0.283 0.000 1.188 19 Q HN 0.775 nan 8.270 nan 0.000 0.420 20 I N 4.310 124.719 120.570 -0.268 0.000 2.406 20 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 20 I C -0.776 175.116 176.117 -0.376 0.000 0.999 20 I CA -0.773 60.313 61.300 -0.357 0.000 1.124 20 I CB 1.296 39.076 38.000 -0.366 0.000 1.289 20 I HN 0.619 nan 8.210 nan 0.000 0.441 21 F N 4.978 124.552 119.950 -0.627 0.000 2.434 21 F HA 0.099 4.626 4.527 -0.000 0.000 0.358 21 F C 1.768 177.358 175.800 -0.349 0.000 1.136 21 F CA 0.164 57.930 58.000 -0.389 0.000 1.157 21 F CB 1.082 39.931 39.000 -0.252 0.000 1.167 21 F HN 0.550 nan 8.300 nan 0.000 0.539 22 T N 1.389 115.759 114.554 -0.306 0.000 2.685 22 T HA -0.308 4.042 4.350 -0.000 0.000 0.268 22 T C 1.618 176.270 174.700 -0.079 0.000 1.034 22 T CA 2.034 63.965 62.100 -0.282 0.000 1.149 22 T CB -0.228 68.184 68.868 -0.759 0.000 0.860 22 T HN 0.624 nan 8.240 nan 0.000 0.449 23 D N 0.191 120.616 120.400 0.043 0.000 2.312 23 D HA -0.054 4.586 4.640 -0.000 0.000 0.211 23 D C 1.861 178.262 176.300 0.168 0.000 0.964 23 D CA 0.606 54.737 54.000 0.218 0.000 0.877 23 D CB 0.196 41.213 40.800 0.363 0.000 0.924 23 D HN 0.080 nan 8.370 nan 0.000 0.515 24 R N -0.770 119.798 120.500 0.114 0.000 2.509 24 R HA 0.141 4.481 4.340 -0.000 0.000 0.300 24 R C 0.473 176.840 176.300 0.112 0.000 0.985 24 R CA -0.154 55.994 56.100 0.080 0.000 1.092 24 R CB -0.170 30.166 30.300 0.059 0.000 1.237 24 R HN 0.264 nan 8.270 nan 0.000 0.546 25 F N 0.130 120.067 119.950 -0.021 0.000 2.484 25 F HA 0.340 4.867 4.527 -0.000 0.000 0.268 25 F C 0.224 176.163 175.800 0.232 0.000 0.965 25 F CA 0.167 58.220 58.000 0.089 0.000 1.119 25 F CB 0.381 39.414 39.000 0.055 0.000 1.153 25 F HN -0.207 nan 8.300 nan 0.000 0.689 26 S N -0.032 115.768 115.700 0.167 0.000 2.572 26 S HA 0.256 4.725 4.470 -0.000 0.000 0.274 26 S C -1.914 172.751 174.600 0.109 0.000 1.150 26 S CA -0.762 57.474 58.200 0.061 0.000 0.944 26 S CB 0.964 64.100 63.200 -0.106 0.000 1.071 26 S HN 0.262 nan 8.310 nan 0.000 0.479 27 D N 3.439 123.892 120.400 0.089 0.000 2.453 27 D HA 0.401 5.040 4.640 -0.000 0.000 0.223 27 D C 1.189 177.524 176.300 0.059 0.000 1.183 27 D CA -0.039 54.018 54.000 0.095 0.000 0.933 27 D CB 0.557 41.428 40.800 0.118 0.000 1.038 27 D HN 0.685 nan 8.370 nan 0.000 0.513 28 G N 3.232 112.069 108.800 0.062 0.000 2.623 28 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.214 28 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.214 28 G C 0.691 175.615 174.900 0.039 0.000 1.138 28 G CA -0.190 44.935 45.100 0.043 0.000 0.794 28 G HN 0.473 nan 8.290 nan 0.000 0.535 29 N N -0.233 118.491 118.700 0.040 0.000 2.609 29 N HA 0.273 5.013 4.740 -0.000 0.000 0.268 29 N C -1.950 173.559 175.510 -0.001 0.000 1.106 29 N CA -2.023 51.040 53.050 0.021 0.000 0.823 29 N CB 2.387 40.893 38.487 0.031 0.000 1.263 29 N HN -0.166 nan 8.380 nan 0.000 0.533 30 P HA -0.058 nan 4.420 nan 0.000 0.223 30 P C 0.870 178.111 177.300 -0.099 0.000 1.151 30 P CA 0.616 63.687 63.100 -0.048 0.000 0.787 30 P CB 0.324 32.008 31.700 -0.026 0.000 0.788 31 A N 1.320 124.097 122.820 -0.072 0.000 2.121 31 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 31 A C 1.715 179.234 177.584 -0.109 0.000 1.154 31 A CA 1.508 53.493 52.037 -0.086 0.000 0.679 31 A CB -1.277 17.692 19.000 -0.052 0.000 0.795 31 A HN 0.335 nan 8.150 nan 0.000 0.458 32 N N -0.329 118.309 118.700 -0.103 0.000 2.270 32 N HA 0.025 4.765 4.740 -0.000 0.000 0.198 32 N C -0.647 174.749 175.510 -0.189 0.000 1.117 32 N CA -0.347 52.630 53.050 -0.120 0.000 0.845 32 N CB -0.580 37.861 38.487 -0.078 0.000 0.980 32 N HN 0.136 nan 8.380 nan 0.000 0.486 33 N N 2.240 120.787 118.700 -0.255 0.000 2.513 33 N HA 0.235 4.975 4.740 -0.000 0.000 0.268 33 N C -2.327 172.908 175.510 -0.458 0.000 1.180 33 N CA -1.160 51.647 53.050 -0.405 0.000 0.948 33 N CB 0.279 38.343 38.487 -0.705 0.000 1.083 33 N HN 0.190 nan 8.380 nan 0.000 0.455 34 P HA 0.017 nan 4.420 nan 0.000 0.267 34 P C -0.139 177.008 177.300 -0.254 0.000 1.201 34 P CA 0.071 62.998 63.100 -0.288 0.000 0.775 34 P CB 0.429 31.949 31.700 -0.300 0.000 0.854 35 T N -1.547 112.933 114.554 -0.124 0.000 2.942 35 T HA 0.704 5.054 4.350 -0.000 0.000 0.289 35 T C 0.494 175.226 174.700 0.053 0.000 1.044 35 T CA -0.037 62.024 62.100 -0.066 0.000 1.023 35 T CB 1.499 70.309 68.868 -0.097 0.000 1.123 35 T HN 0.756 nan 8.240 nan 0.000 0.512 36 G N 0.957 109.808 108.800 0.085 0.000 2.512 36 G HA2 0.037 3.997 3.960 -0.000 0.000 0.254 36 G HA3 0.037 3.997 3.960 -0.000 0.000 0.254 36 G C 1.107 176.077 174.900 0.116 0.000 1.199 36 G CA 0.452 45.601 45.100 0.082 0.000 0.941 36 G HN 1.767 nan 8.290 nan 0.000 0.569 37 A N -0.404 122.468 122.820 0.086 0.000 2.125 37 A HA 0.363 4.683 4.320 -0.000 0.000 0.219 37 A C 2.748 180.403 177.584 0.118 0.000 1.156 37 A CA 3.017 55.105 52.037 0.085 0.000 0.671 37 A CB -0.722 18.316 19.000 0.062 0.000 0.794 37 A HN 2.290 nan 8.150 nan 0.000 0.459 38 A N -2.103 120.814 122.820 0.162 0.000 2.169 38 A HA 0.425 4.745 4.320 -0.000 0.000 0.212 38 A C 0.444 178.223 177.584 0.326 0.000 1.153 38 A CA 0.206 52.385 52.037 0.237 0.000 0.756 38 A CB -0.184 18.953 19.000 0.230 0.000 0.813 38 A HN 0.496 nan 8.150 nan 0.000 0.471 39 F N -0.058 119.947 119.950 0.091 0.000 2.495 39 F HA 0.585 5.112 4.527 -0.000 0.000 0.327 39 F C -1.358 174.474 175.800 0.053 0.000 1.103 39 F CA -1.722 56.328 58.000 0.084 0.000 0.949 39 F CB 1.790 40.810 39.000 0.034 0.000 1.142 39 F HN -0.005 nan 8.300 nan 0.000 0.457 40 D N 3.387 123.281 120.400 -0.842 0.000 2.358 40 D HA 0.278 4.917 4.640 -0.000 0.000 0.253 40 D C 0.873 176.611 176.300 -0.937 0.000 1.288 40 D CA -0.141 53.467 54.000 -0.655 0.000 0.950 40 D CB 1.240 41.851 40.800 -0.314 0.000 1.197 40 D HN 0.700 nan 8.370 nan 0.000 0.550 41 G N 1.663 109.884 108.800 -0.965 0.000 2.470 41 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 41 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 41 G C 1.318 176.098 174.900 -0.199 0.000 1.121 41 G CA 1.083 45.916 45.100 -0.446 0.000 0.766 41 G HN 0.524 nan 8.290 nan 0.000 0.553 42 S N -1.521 114.072 115.700 -0.178 0.000 2.522 42 S HA -0.012 4.457 4.470 -0.000 0.000 0.227 42 S C 1.334 175.865 174.600 -0.116 0.000 0.986 42 S CA 0.543 58.680 58.200 -0.105 0.000 0.929 42 S CB -0.592 62.561 63.200 -0.078 0.000 0.769 42 S HN 0.780 nan 8.310 nan 0.000 0.529 43 c N 2.495 120.990 118.600 -0.174 0.000 4.235 43 c HA -0.171 4.398 4.570 -0.000 0.000 0.301 43 c C 1.657 175.672 174.090 -0.125 0.000 1.409 43 c CA 1.058 57.289 56.329 -0.163 0.000 2.024 43 c CB -2.845 39.593 42.510 -0.121 0.000 1.286 43 c HN 0.889 nan 8.230 nan 0.000 0.746 44 T N -3.028 111.457 114.554 -0.116 0.000 3.037 44 T HA 0.083 4.433 4.350 -0.000 0.000 0.251 44 T C 0.484 175.129 174.700 -0.092 0.000 1.079 44 T CA 0.814 62.861 62.100 -0.088 0.000 1.067 44 T CB -0.114 68.714 68.868 -0.066 0.000 0.948 44 T HN 0.671 nan 8.240 nan 0.000 0.496 45 N N 1.710 120.343 118.700 -0.111 0.000 2.527 45 N HA 0.253 4.993 4.740 -0.000 0.000 0.236 45 N C 0.380 175.793 175.510 -0.161 0.000 0.999 45 N CA -0.604 52.385 53.050 -0.103 0.000 0.935 45 N CB 0.609 39.048 38.487 -0.080 0.000 1.132 45 N HN 0.296 nan 8.380 nan 0.000 0.511 46 L N 2.751 123.871 121.223 -0.170 0.000 2.650 46 L HA 0.120 4.460 4.340 -0.000 0.000 0.235 46 L C 1.457 178.071 176.870 -0.427 0.000 1.149 46 L CA 0.346 55.020 54.840 -0.275 0.000 0.887 46 L CB -0.021 41.925 42.059 -0.188 0.000 1.021 46 L HN 0.356 nan 8.230 nan 0.000 0.441 47 R N -0.663 119.672 120.500 -0.275 0.000 2.432 47 R HA 0.327 4.667 4.340 -0.000 0.000 0.260 47 R C 0.069 176.273 176.300 -0.160 0.000 0.935 47 R CA -0.083 55.910 56.100 -0.178 0.000 1.080 47 R CB 0.595 30.925 30.300 0.051 0.000 1.155 47 R HN 0.237 nan 8.270 nan 0.000 0.531 48 L N -0.351 120.723 121.223 -0.248 0.000 2.335 48 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 48 L C -0.318 176.449 176.870 -0.171 0.000 1.016 48 L CA -1.294 53.478 54.840 -0.113 0.000 0.805 48 L CB 0.646 42.666 42.059 -0.064 0.000 1.311 48 L HN -0.071 nan 8.230 nan 0.000 0.456 49 Y N -0.624 119.672 120.300 -0.007 0.000 2.465 49 Y HA 0.001 4.551 4.550 -0.000 0.000 0.331 49 Y C 0.955 176.804 175.900 -0.086 0.000 1.102 49 Y CA -0.150 57.991 58.100 0.068 0.000 1.358 49 Y CB 0.746 39.344 38.460 0.229 0.000 1.213 49 Y HN 0.536 nan 8.280 nan 0.000 0.525 50 c N 1.063 119.700 118.600 0.062 0.000 2.673 50 c HA 0.283 4.853 4.570 -0.000 0.000 0.264 50 c C 1.820 176.030 174.090 0.201 0.000 1.304 50 c CA 0.552 56.833 56.329 -0.080 0.000 1.727 50 c CB -0.742 41.728 42.510 -0.066 0.000 1.932 50 c HN 1.231 nan 8.230 nan 0.000 0.563 51 G N 0.076 109.136 108.800 0.433 0.000 2.211 51 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.201 51 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.201 51 G C 0.371 175.423 174.900 0.254 0.000 0.997 51 G CA -0.151 45.212 45.100 0.438 0.000 0.652 51 G HN 0.776 nan 8.290 nan 0.000 0.500 52 G N 0.728 109.665 108.800 0.229 0.000 2.380 52 G HA2 0.532 4.492 3.960 -0.000 0.000 0.242 52 G HA3 0.532 4.492 3.960 -0.000 0.000 0.242 52 G C -0.004 174.980 174.900 0.140 0.000 1.298 52 G CA 1.086 46.292 45.100 0.176 0.000 0.878 52 G HN 0.992 nan 8.290 nan 0.000 0.542 53 D N -0.405 120.053 120.400 0.096 0.000 2.752 53 D HA 0.248 4.888 4.640 -0.000 0.000 0.313 53 D C 0.498 176.849 176.300 0.084 0.000 1.225 53 D CA -0.909 53.088 54.000 -0.005 0.000 0.976 53 D CB 0.279 41.089 40.800 0.017 0.000 1.443 53 D HN 0.310 nan 8.370 nan 0.000 0.515 54 W N -0.504 120.870 121.300 0.123 0.000 2.388 54 W HA -0.026 4.634 4.660 -0.000 0.000 0.294 54 W C 2.008 178.580 176.519 0.089 0.000 1.212 54 W CA 0.857 58.261 57.345 0.099 0.000 1.271 54 W CB -0.933 28.613 29.460 0.145 0.000 1.126 54 W HN 0.525 nan 8.180 nan 0.000 0.535 55 Q N 0.469 120.438 119.800 0.283 0.000 2.234 55 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 55 Q C 2.290 178.374 176.000 0.140 0.000 0.980 55 Q CA 2.152 58.062 55.803 0.178 0.000 0.869 55 Q CB -0.847 27.969 28.738 0.129 0.000 0.912 55 Q HN 0.176 nan 8.270 nan 0.000 0.436 56 G N -0.083 108.815 108.800 0.162 0.000 2.394 56 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.215 56 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.215 56 G C 1.397 176.435 174.900 0.229 0.000 1.165 56 G CA 0.694 45.882 45.100 0.145 0.000 0.784 56 G HN 0.410 nan 8.290 nan 0.000 0.535 57 I N 0.589 121.347 120.570 0.312 0.000 2.202 57 I HA -0.102 4.068 4.170 -0.000 0.000 0.242 57 I C 2.630 178.849 176.117 0.170 0.000 1.091 57 I CA 0.716 62.200 61.300 0.308 0.000 1.368 57 I CB -0.234 37.891 38.000 0.208 0.000 1.058 57 I HN 0.111 nan 8.210 nan 0.000 0.410 58 I N 1.137 121.779 120.570 0.121 0.000 2.194 58 I HA -0.358 3.812 4.170 -0.000 0.000 0.246 58 I C 2.039 178.171 176.117 0.025 0.000 1.093 58 I CA 1.983 63.315 61.300 0.054 0.000 1.355 58 I CB -0.672 37.367 38.000 0.064 0.000 1.046 58 I HN 0.345 nan 8.210 nan 0.000 0.413 59 N N 0.399 119.118 118.700 0.032 0.000 2.223 59 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 59 N C 1.577 177.061 175.510 -0.043 0.000 1.016 59 N CA 0.716 53.754 53.050 -0.019 0.000 0.863 59 N CB 0.055 38.512 38.487 -0.050 0.000 0.983 59 N HN 0.259 nan 8.380 nan 0.000 0.429 60 K N 0.658 121.065 120.400 0.012 0.000 2.361 60 K HA 0.119 4.439 4.320 -0.000 0.000 0.196 60 K C 1.667 178.317 176.600 0.082 0.000 1.039 60 K CA 0.256 56.576 56.287 0.054 0.000 1.001 60 K CB 0.259 32.892 32.500 0.221 0.000 0.795 60 K HN 0.314 nan 8.250 nan 0.000 0.495 61 I N 0.784 121.353 120.570 -0.002 0.000 2.296 61 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 61 I C 1.695 177.647 176.117 -0.276 0.000 1.087 61 I CA 1.009 62.223 61.300 -0.144 0.000 1.393 61 I CB -0.329 37.559 38.000 -0.187 0.000 1.093 61 I HN 0.179 nan 8.210 nan 0.000 0.421 62 N N 0.995 119.562 118.700 -0.222 0.000 2.104 62 N HA -0.230 4.510 4.740 -0.000 0.000 0.190 62 N C 1.095 176.564 175.510 -0.068 0.000 1.024 62 N CA 1.570 54.523 53.050 -0.162 0.000 0.853 62 N CB -0.107 38.350 38.487 -0.049 0.000 1.008 62 N HN 0.467 nan 8.380 nan 0.000 0.424 63 D N -0.746 119.627 120.400 -0.046 0.000 2.340 63 D HA 0.069 4.709 4.640 -0.000 0.000 0.220 63 D C 1.142 177.454 176.300 0.020 0.000 1.039 63 D CA 0.542 54.534 54.000 -0.013 0.000 0.866 63 D CB -0.134 40.645 40.800 -0.035 0.000 0.913 63 D HN 0.262 nan 8.370 nan 0.000 0.523 64 G N -0.134 108.675 108.800 0.015 0.000 2.157 64 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.248 64 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.248 64 G C 0.602 175.562 174.900 0.101 0.000 0.979 64 G CA 0.386 45.512 45.100 0.043 0.000 0.650 64 G HN 0.386 nan 8.290 nan 0.000 0.529 65 Y N 0.771 121.094 120.300 0.038 0.000 2.145 65 Y HA 0.131 4.680 4.550 -0.000 0.000 0.286 65 Y C 2.592 178.591 175.900 0.166 0.000 1.145 65 Y CA 2.366 60.550 58.100 0.140 0.000 1.148 65 Y CB -0.270 38.254 38.460 0.106 0.000 0.981 65 Y HN 0.294 nan 8.280 nan 0.000 0.507 66 L N -0.811 120.403 121.223 -0.016 0.000 2.095 66 L HA -0.119 4.221 4.340 -0.000 0.000 0.204 66 L C 2.511 179.269 176.870 -0.186 0.000 1.080 66 L CA 1.609 56.331 54.840 -0.196 0.000 0.759 66 L CB -0.967 41.032 42.059 -0.101 0.000 0.914 66 L HN 0.323 nan 8.230 nan 0.000 0.439 67 T N -3.363 111.136 114.554 -0.092 0.000 2.951 67 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 67 T C 1.898 176.560 174.700 -0.062 0.000 1.073 67 T CA 0.844 62.907 62.100 -0.062 0.000 1.134 67 T CB -0.576 68.290 68.868 -0.004 0.000 0.884 67 T HN 0.349 nan 8.240 nan 0.000 0.479 68 G N 0.738 109.520 108.800 -0.030 0.000 2.443 68 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.219 68 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.219 68 G C 1.498 176.346 174.900 -0.086 0.000 1.131 68 G CA 0.385 45.504 45.100 0.031 0.000 0.775 68 G HN 0.482 nan 8.290 nan 0.000 0.547 69 M N -0.091 119.312 119.600 -0.329 0.000 2.492 69 M HA 0.178 4.658 4.480 -0.000 0.000 0.262 69 M C 1.834 177.933 176.300 -0.335 0.000 1.090 69 M CA 0.956 55.882 55.300 -0.622 0.000 1.110 69 M CB 0.314 32.428 32.600 -0.810 0.000 1.407 69 M HN 0.380 nan 8.290 nan 0.000 0.470 70 G N 1.080 109.756 108.800 -0.207 0.000 2.141 70 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.242 70 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.242 70 G C -0.020 174.805 174.900 -0.124 0.000 0.982 70 G CA -0.429 44.586 45.100 -0.141 0.000 0.662 70 G HN 0.320 nan 8.290 nan 0.000 0.527 71 I N 1.907 122.394 120.570 -0.138 0.000 2.648 71 I HA 0.291 4.461 4.170 -0.000 0.000 0.284 71 I C 1.772 177.862 176.117 -0.045 0.000 1.153 71 I CA 1.282 62.535 61.300 -0.078 0.000 1.426 71 I CB 0.942 38.869 38.000 -0.123 0.000 1.381 71 I HN 0.377 nan 8.210 nan 0.000 0.571 72 T N 1.744 116.286 114.554 -0.019 0.000 3.043 72 T HA 0.638 4.988 4.350 -0.000 0.000 0.272 72 T C 0.172 174.874 174.700 0.004 0.000 0.990 72 T CA -0.106 61.975 62.100 -0.032 0.000 0.897 72 T CB 0.319 69.135 68.868 -0.086 0.000 1.111 72 T HN 0.681 nan 8.240 nan 0.000 0.529 73 A N 1.718 124.593 122.820 0.091 0.000 2.517 73 A HA 0.764 5.084 4.320 -0.000 0.000 0.297 73 A C -0.927 176.808 177.584 0.251 0.000 1.050 73 A CA -1.194 50.959 52.037 0.194 0.000 0.694 73 A CB 1.120 20.318 19.000 0.330 0.000 1.277 73 A HN 0.701 nan 8.150 nan 0.000 0.400 74 I N -1.655 119.067 120.570 0.254 0.000 2.530 74 I HA 0.816 4.986 4.170 -0.000 0.000 0.297 74 I C -0.899 175.432 176.117 0.356 0.000 1.011 74 I CA -0.769 60.693 61.300 0.271 0.000 1.107 74 I CB 1.859 39.950 38.000 0.151 0.000 1.285 74 I HN 0.716 nan 8.210 nan 0.000 0.436 75 W N 8.662 130.049 121.300 0.144 0.000 2.361 75 W HA 0.731 5.391 4.660 -0.000 0.000 0.314 75 W C -1.198 175.338 176.519 0.028 0.000 1.041 75 W CA -1.908 55.510 57.345 0.122 0.000 1.241 75 W CB 0.853 30.421 29.460 0.180 0.000 1.279 75 W HN 0.649 nan 8.180 nan 0.000 0.436 76 I N 2.303 123.037 120.570 0.274 0.000 3.023 76 I HA 0.649 4.819 4.170 -0.000 0.000 0.312 76 I C 0.395 176.492 176.117 -0.034 0.000 1.056 76 I CA -1.005 60.309 61.300 0.023 0.000 1.033 76 I CB 1.631 39.676 38.000 0.076 0.000 1.233 76 I HN 0.142 nan 8.210 nan 0.000 0.462 77 S N 1.570 117.124 115.700 -0.244 0.000 2.566 77 S HA -0.013 4.457 4.470 -0.000 0.000 0.280 77 S C -0.030 174.538 174.600 -0.052 0.000 1.343 77 S CA -0.351 57.659 58.200 -0.316 0.000 1.036 77 S CB 0.345 63.255 63.200 -0.484 0.000 0.866 77 S HN 0.708 nan 8.310 nan 0.000 0.526 78 Q N 2.905 122.671 119.800 -0.056 0.000 2.263 78 Q HA 0.004 4.344 4.340 -0.000 0.000 0.289 78 Q C -1.534 174.506 176.000 0.066 0.000 1.061 78 Q CA -1.103 54.694 55.803 -0.010 0.000 0.927 78 Q CB 0.579 29.294 28.738 -0.038 0.000 1.154 78 Q HN 0.348 nan 8.270 nan 0.000 0.378 79 P HA -0.021 nan 4.420 nan 0.000 0.245 79 P C 0.305 177.647 177.300 0.069 0.000 1.206 79 P CA 0.267 63.449 63.100 0.137 0.000 0.781 79 P CB 0.006 31.508 31.700 -0.331 0.000 0.994 80 V N -1.790 118.064 119.914 -0.100 0.000 3.003 80 V HA 0.279 4.399 4.120 -0.000 0.000 0.305 80 V C 0.467 176.529 176.094 -0.052 0.000 1.078 80 V CA -1.072 61.240 62.300 0.020 0.000 1.083 80 V CB 0.296 32.086 31.823 -0.055 0.000 1.039 80 V HN -0.041 nan 8.190 nan 0.000 0.481 81 E N 2.991 123.188 120.200 -0.005 0.000 2.480 81 E HA 0.034 4.384 4.350 -0.000 0.000 0.258 81 E C -0.090 176.383 176.600 -0.210 0.000 0.984 81 E CA 0.248 56.586 56.400 -0.104 0.000 0.930 81 E CB 0.181 29.870 29.700 -0.019 0.000 0.936 81 E HN 0.881 nan 8.360 nan 0.000 0.466 82 N N 3.082 121.592 118.700 -0.317 0.000 2.483 82 N HA 0.312 5.052 4.740 -0.000 0.000 0.285 82 N C 0.034 175.294 175.510 -0.418 0.000 1.210 82 N CA -0.770 52.116 53.050 -0.273 0.000 0.931 82 N CB 0.968 39.321 38.487 -0.223 0.000 1.220 82 N HN 0.458 nan 8.380 nan 0.000 0.542 83 I N -1.016 119.441 120.570 -0.189 0.000 2.836 83 I HA 0.002 4.172 4.170 -0.000 0.000 0.285 83 I C 0.097 176.051 176.117 -0.273 0.000 1.174 83 I CA -0.043 61.147 61.300 -0.183 0.000 1.405 83 I CB 0.266 38.263 38.000 -0.005 0.000 1.385 83 I HN 0.590 nan 8.210 nan 0.000 0.594 84 Y N 2.148 122.467 120.300 0.032 0.000 2.510 84 Y HA 0.108 4.658 4.550 0.000 0.000 0.273 84 Y C 1.601 177.525 175.900 0.040 0.000 1.119 84 Y CA -0.009 58.105 58.100 0.024 0.000 1.286 84 Y CB -0.359 38.084 38.460 -0.027 0.000 1.061 84 Y HN 0.588 nan 8.280 nan 0.000 0.542 85 S N 0.717 116.493 115.700 0.126 0.000 2.558 85 S HA 0.102 4.572 4.470 -0.000 0.000 0.291 85 S C -0.043 174.604 174.600 0.080 0.000 1.306 85 S CA -0.358 57.868 58.200 0.044 0.000 1.056 85 S CB 0.873 64.017 63.200 -0.094 0.000 0.836 85 S HN -0.032 nan 8.310 nan 0.000 0.504 86 V N 4.419 124.364 119.914 0.052 0.000 2.350 86 V HA 0.321 4.441 4.120 -0.000 0.000 0.276 86 V C 0.085 176.174 176.094 -0.007 0.000 1.028 86 V CA -0.395 61.951 62.300 0.076 0.000 0.860 86 V CB 0.461 32.332 31.823 0.079 0.000 0.990 86 V HN 0.706 nan 8.190 nan 0.000 0.453 87 I N 4.850 125.408 120.570 -0.020 0.000 2.353 87 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 87 I C 0.456 176.470 176.117 -0.171 0.000 0.992 87 I CA -0.186 60.988 61.300 -0.209 0.000 1.268 87 I CB 1.094 38.851 38.000 -0.406 0.000 1.387 87 I HN 0.533 nan 8.210 nan 0.000 0.478 88 N N 6.846 125.442 118.700 -0.174 0.000 2.462 88 N HA 0.178 4.918 4.740 -0.000 0.000 0.242 88 N C -1.542 173.901 175.510 -0.112 0.000 1.010 88 N CA -0.264 52.745 53.050 -0.069 0.000 0.939 88 N CB 0.543 39.021 38.487 -0.016 0.000 1.127 88 N HN 0.432 nan 8.380 nan 0.000 0.509 89 Y N 2.106 122.469 120.300 0.106 0.000 2.504 89 Y HA 0.105 4.655 4.550 0.000 0.000 0.339 89 Y C 0.870 176.802 175.900 0.053 0.000 0.974 89 Y CA -0.528 57.622 58.100 0.085 0.000 1.232 89 Y CB 0.863 39.377 38.460 0.090 0.000 1.108 89 Y HN 0.487 nan 8.280 nan 0.000 0.509 90 S N 2.943 118.744 115.700 0.168 0.000 3.405 90 S HA -0.227 4.243 4.470 -0.000 0.000 0.373 90 S C 1.239 175.887 174.600 0.081 0.000 0.939 90 S CA 1.005 59.266 58.200 0.101 0.000 1.295 90 S CB -1.368 61.885 63.200 0.089 0.000 0.919 90 S HN 1.387 nan 8.310 nan 0.000 0.535 91 G N -1.193 107.648 108.800 0.068 0.000 2.454 91 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.225 91 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.225 91 G C 0.331 175.269 174.900 0.063 0.000 1.138 91 G CA 0.070 45.202 45.100 0.053 0.000 0.667 91 G HN 1.571 nan 8.290 nan 0.000 0.512 92 V N 2.538 122.507 119.914 0.091 0.000 2.498 92 V HA 0.608 4.728 4.120 -0.000 0.000 0.279 92 V C 0.024 176.191 176.094 0.122 0.000 1.048 92 V CA -0.899 61.459 62.300 0.096 0.000 0.967 92 V CB 1.202 33.084 31.823 0.097 0.000 0.988 92 V HN 0.414 nan 8.190 nan 0.000 0.473 93 N N 5.410 124.165 118.700 0.093 0.000 2.529 93 N HA 0.373 5.113 4.740 -0.000 0.000 0.278 93 N C -0.608 174.990 175.510 0.147 0.000 1.146 93 N CA 0.058 53.167 53.050 0.098 0.000 0.980 93 N CB 0.573 39.101 38.487 0.069 0.000 1.124 93 N HN 0.745 nan 8.380 nan 0.000 0.458 94 N N -0.059 118.761 118.700 0.200 0.000 2.249 94 N HA 0.366 5.106 4.740 -0.000 0.000 0.296 94 N C -0.693 174.995 175.510 0.297 0.000 1.051 94 N CA -0.385 52.848 53.050 0.305 0.000 0.815 94 N CB 2.202 41.028 38.487 0.564 0.000 1.487 94 N HN 0.536 nan 8.380 nan 0.000 0.475 95 T N -2.451 112.208 114.554 0.175 0.000 2.910 95 T HA 0.585 4.935 4.350 -0.000 0.000 0.287 95 T C 0.472 174.924 174.700 -0.412 0.000 1.050 95 T CA -0.774 61.374 62.100 0.079 0.000 1.011 95 T CB 1.628 70.542 68.868 0.077 0.000 1.195 95 T HN 0.349 nan 8.240 nan 0.000 0.540 96 A N 0.512 123.054 122.820 -0.463 0.000 2.543 96 A HA 0.299 4.619 4.320 -0.000 0.000 0.258 96 A C 1.171 178.031 177.584 -1.207 0.000 1.391 96 A CA -0.413 51.040 52.037 -0.974 0.000 1.066 96 A CB -1.706 17.134 19.000 -0.266 0.000 0.972 96 A HN 0.931 nan 8.150 nan 0.000 0.560 97 Y N -0.403 119.078 120.300 -1.364 0.000 2.333 97 Y HA -0.273 4.277 4.550 -0.000 0.000 0.290 97 Y C 1.809 177.383 175.900 -0.544 0.000 1.144 97 Y CA 1.631 58.990 58.100 -1.235 0.000 1.228 97 Y CB -0.993 36.938 38.460 -0.883 0.000 0.985 97 Y HN 0.632 nan 8.280 nan 0.000 0.542 98 H N -1.278 116.954 119.070 -1.397 0.000 2.555 98 H HA 0.365 4.921 4.556 -0.000 0.000 0.269 98 H C 1.970 176.698 175.328 -0.999 0.000 0.988 98 H CA -0.242 55.134 56.048 -1.120 0.000 1.178 98 H CB -0.514 28.534 29.762 -1.191 0.000 1.373 98 H HN 0.455 nan 8.280 nan 0.000 0.588 99 G N -0.006 108.486 108.800 -0.514 0.000 2.205 99 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.261 99 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.261 99 G C 0.543 175.333 174.900 -0.182 0.000 0.980 99 G CA 0.511 45.436 45.100 -0.292 0.000 0.632 99 G HN 0.492 nan 8.290 nan 0.000 0.533 100 Y N -0.985 119.334 120.300 0.032 0.000 2.583 100 Y HA 0.315 4.865 4.550 -0.000 0.000 0.293 100 Y C 1.073 177.157 175.900 0.307 0.000 1.157 100 Y CA -0.434 57.701 58.100 0.059 0.000 1.315 100 Y CB 0.102 38.503 38.460 -0.098 0.000 1.021 100 Y HN 0.405 nan 8.280 nan 0.000 0.536 101 W N 1.270 122.697 121.300 0.211 0.000 2.101 101 W HA 0.693 5.353 4.660 -0.000 0.000 0.301 101 W C 0.141 176.637 176.519 -0.037 0.000 0.846 101 W CA -2.169 55.255 57.345 0.132 0.000 1.823 101 W CB -0.571 28.953 29.460 0.106 0.000 2.007 101 W HN -0.177 nan 8.180 nan 0.000 0.373 102 A N 2.185 125.036 122.820 0.052 0.000 2.483 102 A HA 0.360 4.680 4.320 -0.000 0.000 0.238 102 A C 1.364 178.877 177.584 -0.118 0.000 1.070 102 A CA 0.289 52.170 52.037 -0.260 0.000 0.770 102 A CB 0.520 18.967 19.000 -0.922 0.000 1.008 102 A HN 0.664 nan 8.150 nan 0.000 0.497 103 R N -0.036 120.403 120.500 -0.101 0.000 2.507 103 R HA 0.287 4.627 4.340 -0.000 0.000 0.230 103 R C -0.819 175.611 176.300 0.216 0.000 0.897 103 R CA 0.119 56.285 56.100 0.111 0.000 1.006 103 R CB 0.644 31.032 30.300 0.146 0.000 1.341 103 R HN 0.513 nan 8.270 nan 0.000 0.604 104 D N 0.107 120.568 120.400 0.102 0.000 2.478 104 D HA 0.182 4.822 4.640 -0.000 0.000 0.240 104 D C -0.683 175.791 176.300 0.290 0.000 1.364 104 D CA -0.693 53.489 54.000 0.303 0.000 0.987 104 D CB 1.021 41.973 40.800 0.253 0.000 1.328 104 D HN -0.002 nan 8.370 nan 0.000 0.584 105 F N 1.836 122.031 119.950 0.408 0.000 2.802 105 F HA 0.160 4.687 4.527 -0.000 0.000 0.300 105 F C 2.036 178.116 175.800 0.468 0.000 1.168 105 F CA 0.498 58.721 58.000 0.373 0.000 1.433 105 F CB 0.320 39.485 39.000 0.275 0.000 1.115 105 F HN 0.126 nan 8.300 nan 0.000 0.582 106 K N -0.319 120.376 120.400 0.491 0.000 2.358 106 K HA 0.164 4.484 4.320 -0.000 0.000 0.200 106 K C 0.259 176.979 176.600 0.199 0.000 1.030 106 K CA 0.188 56.640 56.287 0.275 0.000 1.097 106 K CB 0.560 33.181 32.500 0.203 0.000 0.862 106 K HN 0.127 nan 8.250 nan 0.000 0.534 107 K N 0.603 121.178 120.400 0.293 0.000 2.433 107 K HA 0.230 4.550 4.320 -0.000 0.000 0.252 107 K C -0.277 176.518 176.600 0.325 0.000 1.015 107 K CA -0.711 55.708 56.287 0.220 0.000 0.860 107 K CB 1.958 34.553 32.500 0.159 0.000 1.359 107 K HN -0.054 nan 8.250 nan 0.000 0.452 108 T N -1.456 113.279 114.554 0.302 0.000 2.874 108 T HA 0.163 4.513 4.350 -0.000 0.000 0.281 108 T C 0.236 175.023 174.700 0.145 0.000 0.994 108 T CA -0.807 61.510 62.100 0.361 0.000 1.015 108 T CB 0.752 69.922 68.868 0.504 0.000 1.028 108 T HN 0.443 nan 8.240 nan 0.000 0.523 109 N N 2.579 121.296 118.700 0.029 0.000 2.405 109 N HA 0.173 4.913 4.740 -0.000 0.000 0.260 109 N C -1.402 173.963 175.510 -0.241 0.000 1.152 109 N CA -2.357 50.555 53.050 -0.231 0.000 0.948 109 N CB 1.084 39.222 38.487 -0.582 0.000 1.111 109 N HN 0.386 nan 8.380 nan 0.000 0.485 110 P HA -0.082 nan 4.420 nan 0.000 0.225 110 P C 0.735 177.927 177.300 -0.180 0.000 1.148 110 P CA 0.710 63.756 63.100 -0.090 0.000 0.779 110 P CB 0.215 31.910 31.700 -0.008 0.000 0.780 111 A N -1.032 121.608 122.820 -0.300 0.000 2.015 111 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 111 A C 1.945 179.419 177.584 -0.183 0.000 1.163 111 A CA 1.052 52.903 52.037 -0.309 0.000 0.646 111 A CB -1.375 17.304 19.000 -0.535 0.000 0.806 111 A HN 0.066 nan 8.150 nan 0.000 0.448 112 Y N -0.752 119.275 120.300 -0.456 0.000 2.314 112 Y HA 0.370 4.920 4.550 -0.000 0.000 0.294 112 Y C 1.582 176.930 175.900 -0.920 0.000 1.119 112 Y CA 0.166 57.734 58.100 -0.886 0.000 1.179 112 Y CB -0.601 36.996 38.460 -1.437 0.000 1.025 112 Y HN 0.424 nan 8.280 nan 0.000 0.541 113 G N -1.067 107.468 108.800 -0.441 0.000 2.356 113 G HA2 0.280 4.240 3.960 -0.000 0.000 0.288 113 G HA3 0.280 4.240 3.960 -0.000 0.000 0.288 113 G C -0.644 174.398 174.900 0.237 0.000 1.302 113 G CA -0.494 44.620 45.100 0.023 0.000 0.887 113 G HN 0.161 nan 8.290 nan 0.000 0.521 114 T N -2.223 112.533 114.554 0.336 0.000 2.849 114 T HA 0.485 4.835 4.350 -0.000 0.000 0.276 114 T C 1.639 176.602 174.700 0.438 0.000 0.971 114 T CA 0.490 62.772 62.100 0.304 0.000 0.949 114 T CB 1.206 70.190 68.868 0.194 0.000 1.093 114 T HN 0.643 nan 8.240 nan 0.000 0.545 115 M N 0.414 120.195 119.600 0.302 0.000 2.108 115 M HA -0.055 4.425 4.480 -0.000 0.000 0.261 115 M C 2.387 178.841 176.300 0.257 0.000 1.066 115 M CA 1.755 57.213 55.300 0.264 0.000 1.107 115 M CB -1.215 31.467 32.600 0.137 0.000 1.356 115 M HN 0.845 nan 8.290 nan 0.000 0.406 116 Q N 0.226 120.145 119.800 0.198 0.000 2.124 116 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 116 Q C 1.479 177.593 176.000 0.190 0.000 0.977 116 Q CA 2.144 58.042 55.803 0.159 0.000 0.850 116 Q CB -0.451 28.358 28.738 0.119 0.000 0.901 116 Q HN 0.543 nan 8.270 nan 0.000 0.429 117 D N -0.715 119.853 120.400 0.280 0.000 2.144 117 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 117 D C 1.545 178.024 176.300 0.298 0.000 0.984 117 D CA 0.857 55.056 54.000 0.332 0.000 0.834 117 D CB -0.317 40.779 40.800 0.492 0.000 0.955 117 D HN 0.316 nan 8.370 nan 0.000 0.465 118 F N 1.874 121.894 119.950 0.118 0.000 2.102 118 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 118 F C 2.246 177.955 175.800 -0.152 0.000 1.105 118 F CA 1.402 59.232 58.000 -0.284 0.000 1.239 118 F CB 0.171 39.016 39.000 -0.258 0.000 0.991 118 F HN -0.195 nan 8.300 nan 0.000 0.474 119 K N 0.278 120.704 120.400 0.043 0.000 2.032 119 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 119 K C 1.638 178.174 176.600 -0.108 0.000 1.048 119 K CA 2.141 58.402 56.287 -0.043 0.000 0.927 119 K CB -0.545 31.982 32.500 0.045 0.000 0.712 119 K HN 0.435 nan 8.250 nan 0.000 0.441 120 N N 0.758 119.434 118.700 -0.041 0.000 2.223 120 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 120 N C 1.719 177.167 175.510 -0.103 0.000 1.016 120 N CA 0.510 53.538 53.050 -0.035 0.000 0.863 120 N CB -0.042 38.464 38.487 0.032 0.000 0.983 120 N HN 0.045 nan 8.380 nan 0.000 0.429 121 L N 0.878 121.978 121.223 -0.206 0.000 2.072 121 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 121 L C 1.764 178.415 176.870 -0.365 0.000 1.079 121 L CA 1.229 55.904 54.840 -0.274 0.000 0.752 121 L CB -0.294 41.503 42.059 -0.437 0.000 0.906 121 L HN 0.092 nan 8.230 nan 0.000 0.436 122 I N 0.204 120.461 120.570 -0.523 0.000 2.099 122 I HA -0.292 3.878 4.170 -0.000 0.000 0.239 122 I C 2.203 178.002 176.117 -0.530 0.000 1.066 122 I CA 1.519 62.456 61.300 -0.604 0.000 1.324 122 I CB -1.558 36.121 38.000 -0.535 0.000 1.037 122 I HN 0.318 nan 8.210 nan 0.000 0.401 123 D N 0.420 120.651 120.400 -0.283 0.000 2.144 123 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 123 D C 2.186 178.457 176.300 -0.049 0.000 0.984 123 D CA 1.541 55.466 54.000 -0.125 0.000 0.834 123 D CB -0.328 40.440 40.800 -0.054 0.000 0.955 123 D HN 0.297 nan 8.370 nan 0.000 0.465 124 T N 0.542 115.072 114.554 -0.040 0.000 2.821 124 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 124 T C 2.002 176.777 174.700 0.125 0.000 1.046 124 T CA 1.332 63.473 62.100 0.069 0.000 1.139 124 T CB -0.176 68.714 68.868 0.037 0.000 0.871 124 T HN 0.193 nan 8.240 nan 0.000 0.454 125 A N 1.399 124.216 122.820 -0.006 0.000 1.873 125 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 125 A C 2.078 179.749 177.584 0.145 0.000 1.186 125 A CA 1.451 53.510 52.037 0.036 0.000 0.616 125 A CB -0.840 18.125 19.000 -0.057 0.000 0.823 125 A HN 0.456 nan 8.150 nan 0.000 0.442 126 H N -0.005 119.068 119.070 0.005 0.000 2.352 126 H HA -0.005 4.551 4.556 -0.000 0.000 0.299 126 H C 2.375 177.692 175.328 -0.019 0.000 1.097 126 H CA 1.088 57.128 56.048 -0.013 0.000 1.311 126 H CB -0.753 28.993 29.762 -0.027 0.000 1.377 126 H HN 0.489 nan 8.280 nan 0.000 0.504 127 A N 0.364 123.249 122.820 0.109 0.000 2.172 127 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 127 A C 1.207 178.681 177.584 -0.183 0.000 1.154 127 A CA 1.094 53.107 52.037 -0.039 0.000 0.701 127 A CB -0.366 18.590 19.000 -0.073 0.000 0.789 127 A HN 0.495 nan 8.150 nan 0.000 0.465 128 H N -0.574 118.507 119.070 0.018 0.000 2.486 128 H HA 0.114 4.670 4.556 -0.000 0.000 0.284 128 H C -0.190 175.134 175.328 -0.007 0.000 1.103 128 H CA -0.132 55.917 56.048 0.002 0.000 1.089 128 H CB 0.182 29.946 29.762 0.002 0.000 1.603 128 H HN 0.460 nan 8.280 nan 0.000 0.557 129 N N 0.933 119.666 118.700 0.056 0.000 2.740 129 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 129 N C -0.460 175.056 175.510 0.010 0.000 1.062 129 N CA 0.674 53.726 53.050 0.004 0.000 0.704 129 N CB -1.524 36.944 38.487 -0.033 0.000 0.968 129 N HN 0.467 nan 8.380 nan 0.000 0.547 130 I N 0.626 121.238 120.570 0.071 0.000 2.406 130 I HA 0.207 4.376 4.170 -0.000 0.000 0.290 130 I C 0.542 176.740 176.117 0.134 0.000 0.999 130 I CA -0.633 60.708 61.300 0.067 0.000 1.124 130 I CB 1.624 39.664 38.000 0.067 0.000 1.289 130 I HN -0.190 nan 8.210 nan 0.000 0.441 131 K N 4.555 125.006 120.400 0.085 0.000 2.154 131 K HA 0.572 4.892 4.320 -0.000 0.000 0.264 131 K C -0.940 175.800 176.600 0.234 0.000 1.008 131 K CA -0.598 55.782 56.287 0.156 0.000 0.937 131 K CB 1.774 34.266 32.500 -0.013 0.000 1.002 131 K HN 0.255 nan 8.250 nan 0.000 0.469 132 V N 4.109 124.180 119.914 0.262 0.000 2.407 132 V HA 0.337 4.457 4.120 -0.000 0.000 0.291 132 V C -0.381 175.866 176.094 0.255 0.000 1.018 132 V CA -0.718 61.694 62.300 0.186 0.000 0.842 132 V CB 1.181 33.010 31.823 0.010 0.000 0.996 132 V HN 0.590 nan 8.190 nan 0.000 0.426 133 I N 6.276 127.012 120.570 0.276 0.000 2.359 133 I HA 0.543 4.712 4.170 -0.000 0.000 0.294 133 I C -0.147 176.094 176.117 0.206 0.000 0.987 133 I CA -0.535 60.895 61.300 0.218 0.000 1.225 133 I CB 1.635 39.753 38.000 0.197 0.000 1.366 133 I HN 0.586 nan 8.210 nan 0.000 0.466 134 I N 1.447 122.098 120.570 0.136 0.000 2.493 134 I HA 0.543 4.713 4.170 -0.000 0.000 0.298 134 I C -0.588 175.584 176.117 0.091 0.000 0.998 134 I CA -0.917 60.467 61.300 0.140 0.000 1.137 134 I CB 1.327 39.376 38.000 0.083 0.000 1.310 134 I HN 0.302 nan 8.210 nan 0.000 0.445 135 D N 3.968 124.460 120.400 0.153 0.000 2.400 135 D HA 0.298 4.938 4.640 -0.000 0.000 0.238 135 D C -1.206 175.206 176.300 0.186 0.000 1.157 135 D CA 0.800 54.888 54.000 0.147 0.000 0.889 135 D CB 1.122 42.025 40.800 0.170 0.000 1.199 135 D HN 0.528 nan 8.370 nan 0.000 0.436 136 F N 0.147 120.107 119.950 0.018 0.000 2.588 136 F HA 0.465 4.992 4.527 -0.000 0.000 0.318 136 F C -1.128 174.732 175.800 0.100 0.000 1.155 136 F CA -0.673 57.368 58.000 0.068 0.000 0.967 136 F CB 1.499 40.550 39.000 0.084 0.000 1.236 136 F HN 0.295 nan 8.300 nan 0.000 0.455 137 A N 7.211 129.893 122.820 -0.229 0.000 2.978 137 A HA 0.453 4.773 4.320 -0.000 0.000 0.341 137 A C -2.400 175.037 177.584 -0.246 0.000 1.105 137 A CA -1.157 50.790 52.037 -0.151 0.000 0.819 137 A CB -0.213 18.738 19.000 -0.081 0.000 1.080 137 A HN 0.469 nan 8.150 nan 0.000 0.476 138 P HA -0.043 nan 4.420 nan 0.000 0.245 138 P C 0.665 177.889 177.300 -0.127 0.000 1.212 138 P CA 0.551 63.479 63.100 -0.287 0.000 0.774 138 P CB 0.163 31.718 31.700 -0.242 0.000 0.999 139 N N 0.778 119.400 118.700 -0.129 0.000 2.354 139 N HA -0.098 4.642 4.740 -0.000 0.000 0.179 139 N C 0.683 176.210 175.510 0.028 0.000 1.021 139 N CA 0.534 53.591 53.050 0.010 0.000 0.887 139 N CB -0.054 38.487 38.487 0.090 0.000 0.974 139 N HN 0.305 nan 8.380 nan 0.000 0.437 140 H N -4.580 114.548 119.070 0.097 0.000 2.981 140 H HA 0.267 4.823 4.556 -0.000 0.000 0.327 140 H C -0.089 175.369 175.328 0.217 0.000 1.342 140 H CA -0.187 55.929 56.048 0.114 0.000 1.123 140 H CB 0.837 30.637 29.762 0.062 0.000 1.851 140 H HN 0.030 nan 8.280 nan 0.000 0.531 141 T N -0.403 114.369 114.554 0.365 0.000 3.538 141 T HA 0.291 4.641 4.350 -0.000 0.000 0.204 141 T C 0.766 175.641 174.700 0.291 0.000 0.870 141 T CA 0.850 63.136 62.100 0.309 0.000 1.727 141 T CB -0.571 68.482 68.868 0.308 0.000 1.685 141 T HN 0.811 nan 8.240 nan 0.000 0.454 142 S N 0.681 116.423 115.700 0.071 0.000 2.720 142 S HA 0.670 5.140 4.470 -0.000 0.000 0.287 142 S C -3.332 171.057 174.600 -0.352 0.000 1.168 142 S CA -1.653 56.460 58.200 -0.145 0.000 0.832 142 S CB 1.057 64.202 63.200 -0.091 0.000 1.166 142 S HN 0.239 nan 8.310 nan 0.000 0.493 143 P HA 0.443 nan 4.420 nan 0.000 0.264 143 P C -0.970 176.238 177.300 -0.154 0.000 1.183 143 P CA 0.418 63.333 63.100 -0.310 0.000 0.763 143 P CB 0.387 31.889 31.700 -0.330 0.000 0.807 144 A N 2.174 124.965 122.820 -0.048 0.000 2.612 144 A HA 0.687 5.007 4.320 -0.000 0.000 0.293 144 A C -1.091 176.468 177.584 -0.041 0.000 1.075 144 A CA -0.453 51.557 52.037 -0.045 0.000 0.680 144 A CB 1.513 20.260 19.000 -0.422 0.000 1.279 144 A HN 0.341 nan 8.150 nan 0.000 0.411 145 S N -0.107 115.657 115.700 0.106 0.000 2.647 145 S HA 0.502 4.972 4.470 -0.000 0.000 0.300 145 S C 0.970 175.688 174.600 0.197 0.000 1.129 145 S CA 0.226 58.461 58.200 0.059 0.000 1.029 145 S CB 1.198 64.354 63.200 -0.074 0.000 1.007 145 S HN 1.701 nan 8.310 nan 0.000 0.484 146 S N 3.262 119.150 115.700 0.314 0.000 2.428 146 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 146 S C 1.077 175.707 174.600 0.050 0.000 1.014 146 S CA 0.764 59.067 58.200 0.171 0.000 0.957 146 S CB -0.332 62.869 63.200 0.002 0.000 0.784 146 S HN 0.749 nan 8.310 nan 0.000 0.499 147 D N 1.897 122.318 120.400 0.035 0.000 2.144 147 D HA -0.008 4.632 4.640 -0.000 0.000 0.200 147 D C 0.126 176.428 176.300 0.004 0.000 0.978 147 D CA 1.177 55.177 54.000 -0.001 0.000 0.833 147 D CB -0.248 40.541 40.800 -0.017 0.000 0.961 147 D HN 0.409 nan 8.370 nan 0.000 0.470 148 D N -0.513 119.898 120.400 0.018 0.000 2.477 148 D HA 0.155 4.795 4.640 -0.000 0.000 0.239 148 D C -1.985 174.363 176.300 0.079 0.000 1.102 148 D CA -2.265 51.757 54.000 0.036 0.000 0.901 148 D CB 1.558 42.371 40.800 0.022 0.000 1.026 148 D HN -0.150 nan 8.370 nan 0.000 0.515 149 P HA -0.110 nan 4.420 nan 0.000 0.223 149 P C 0.964 178.298 177.300 0.057 0.000 1.144 149 P CA 0.803 63.935 63.100 0.053 0.000 0.783 149 P CB 0.180 31.896 31.700 0.026 0.000 0.771 150 S N -2.321 113.420 115.700 0.068 0.000 2.548 150 S HA 0.047 4.517 4.470 -0.000 0.000 0.215 150 S C 0.423 175.066 174.600 0.071 0.000 0.976 150 S CA -0.595 57.636 58.200 0.052 0.000 0.908 150 S CB -1.180 62.044 63.200 0.041 0.000 0.781 150 S HN 0.061 nan 8.310 nan 0.000 0.519 151 F N 3.632 123.552 119.950 -0.050 0.000 2.504 151 F HA 0.474 5.001 4.527 -0.000 0.000 0.369 151 F C 1.063 176.809 175.800 -0.091 0.000 1.082 151 F CA 0.110 58.063 58.000 -0.078 0.000 1.216 151 F CB 0.025 38.972 39.000 -0.088 0.000 1.108 151 F HN 0.509 nan 8.300 nan 0.000 0.554 152 A N 4.724 127.059 122.820 -0.808 0.000 5.483 152 A HA -0.365 3.955 4.320 -0.000 0.000 0.309 152 A C 0.951 178.352 177.584 -0.305 0.000 1.898 152 A CA 1.559 53.187 52.037 -0.682 0.000 0.716 152 A CB -1.364 16.998 19.000 -1.063 0.000 1.309 152 A HN 0.833 nan 8.150 nan 0.000 0.380 153 E N 1.094 121.162 120.200 -0.220 0.000 2.585 153 E HA 0.249 4.599 4.350 -0.000 0.000 0.206 153 E C 0.359 176.932 176.600 -0.045 0.000 1.007 153 E CA 0.357 56.718 56.400 -0.065 0.000 1.028 153 E CB -0.100 29.614 29.700 0.024 0.000 1.087 153 E HN 0.647 nan 8.360 nan 0.000 0.455 154 N N 0.651 119.302 118.700 -0.083 0.000 2.708 154 N HA -0.249 4.491 4.740 -0.000 0.000 0.249 154 N C 0.740 176.189 175.510 -0.103 0.000 1.097 154 N CA 0.377 53.402 53.050 -0.042 0.000 0.710 154 N CB -0.792 37.700 38.487 0.007 0.000 1.032 154 N HN 0.578 nan 8.380 nan 0.000 0.551 155 G N -0.030 108.677 108.800 -0.156 0.000 2.180 155 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.263 155 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.263 155 G C 0.243 175.114 174.900 -0.049 0.000 0.989 155 G CA 0.822 45.800 45.100 -0.204 0.000 0.692 155 G HN 0.644 nan 8.290 nan 0.000 0.526 156 R N -0.913 119.605 120.500 0.030 0.000 2.638 156 R HA 0.319 4.659 4.340 -0.000 0.000 0.268 156 R C 0.057 176.438 176.300 0.136 0.000 1.006 156 R CA -0.080 56.061 56.100 0.069 0.000 1.088 156 R CB 0.444 30.748 30.300 0.006 0.000 0.950 156 R HN 0.254 nan 8.270 nan 0.000 0.419 157 L N 4.023 125.279 121.223 0.055 0.000 2.341 157 L HA 0.384 4.724 4.340 -0.000 0.000 0.278 157 L C -1.469 175.300 176.870 -0.168 0.000 1.005 157 L CA -0.506 54.376 54.840 0.068 0.000 0.818 157 L CB 1.138 43.207 42.059 0.017 0.000 1.259 157 L HN 0.418 nan 8.230 nan 0.000 0.418 158 Y N 2.054 122.390 120.300 0.060 0.000 2.509 158 Y HA 0.487 5.037 4.550 -0.000 0.000 0.341 158 Y C -0.438 175.516 175.900 0.090 0.000 1.038 158 Y CA -0.704 57.432 58.100 0.060 0.000 1.089 158 Y CB 1.813 40.335 38.460 0.104 0.000 1.241 158 Y HN 0.553 nan 8.280 nan 0.000 0.468 159 D N 2.212 122.759 120.400 0.245 0.000 2.461 159 D HA 0.127 4.767 4.640 -0.000 0.000 0.240 159 D C -0.371 176.113 176.300 0.307 0.000 1.094 159 D CA -0.465 53.751 54.000 0.360 0.000 0.868 159 D CB 0.053 40.989 40.800 0.226 0.000 1.062 159 D HN 0.585 nan 8.370 nan 0.000 0.530 160 N N 3.545 122.434 118.700 0.315 0.000 2.716 160 N HA -0.243 4.497 4.740 -0.000 0.000 0.250 160 N C 0.971 176.584 175.510 0.171 0.000 1.033 160 N CA 2.027 55.201 53.050 0.207 0.000 0.727 160 N CB -1.061 37.521 38.487 0.158 0.000 0.950 160 N HN 0.859 nan 8.380 nan 0.000 0.541 161 G N -1.476 107.447 108.800 0.205 0.000 2.234 161 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.235 161 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.235 161 G C -0.023 175.046 174.900 0.282 0.000 0.997 161 G CA 0.192 45.395 45.100 0.171 0.000 0.623 161 G HN 0.812 nan 8.290 nan 0.000 0.514 162 N N 0.531 119.385 118.700 0.256 0.000 2.419 162 N HA 0.537 5.277 4.740 -0.000 0.000 0.264 162 N C 0.015 175.619 175.510 0.156 0.000 1.031 162 N CA -0.601 52.566 53.050 0.195 0.000 0.951 162 N CB 0.906 39.464 38.487 0.117 0.000 1.101 162 N HN 0.370 nan 8.380 nan 0.000 0.488 163 L N 4.754 126.011 121.223 0.056 0.000 2.410 163 L HA 0.208 4.548 4.340 -0.000 0.000 0.273 163 L C 0.510 177.259 176.870 -0.201 0.000 1.144 163 L CA 0.405 55.060 54.840 -0.307 0.000 0.863 163 L CB 0.289 42.127 42.059 -0.368 0.000 1.140 163 L HN 0.727 nan 8.230 nan 0.000 0.463 164 L N 4.531 125.602 121.223 -0.255 0.000 2.145 164 L HA 0.414 4.754 4.340 -0.000 0.000 0.201 164 L C 1.080 177.859 176.870 -0.151 0.000 1.075 164 L CA 0.628 55.355 54.840 -0.188 0.000 0.773 164 L CB -0.459 41.448 42.059 -0.254 0.000 0.936 164 L HN 0.849 nan 8.230 nan 0.000 0.451 165 G N -1.553 107.162 108.800 -0.141 0.000 2.338 165 G HA2 0.444 4.404 3.960 -0.000 0.000 0.295 165 G HA3 0.444 4.404 3.960 -0.000 0.000 0.295 165 G C -1.506 173.461 174.900 0.112 0.000 1.461 165 G CA -0.121 44.969 45.100 -0.017 0.000 0.817 165 G HN 0.163 nan 8.290 nan 0.000 0.556 166 G N -1.843 107.049 108.800 0.153 0.000 2.685 166 G HA2 0.511 4.471 3.960 -0.000 0.000 0.298 166 G HA3 0.511 4.471 3.960 -0.000 0.000 0.298 166 G C 0.065 175.024 174.900 0.097 0.000 1.277 166 G CA -0.366 44.799 45.100 0.108 0.000 0.986 166 G HN 0.642 nan 8.290 nan 0.000 0.487 167 Y N 0.135 120.259 120.300 -0.293 0.000 2.337 167 Y HA 0.143 4.693 4.550 -0.000 0.000 0.293 167 Y C 1.821 177.690 175.900 -0.052 0.000 1.123 167 Y CA 1.154 59.060 58.100 -0.322 0.000 1.201 167 Y CB 0.143 38.338 38.460 -0.441 0.000 1.011 167 Y HN 0.327 nan 8.280 nan 0.000 0.545 168 T N 1.586 116.142 114.554 0.003 0.000 2.869 168 T HA 0.092 4.442 4.350 -0.000 0.000 0.295 168 T C -0.055 174.601 174.700 -0.074 0.000 0.987 168 T CA -0.149 61.917 62.100 -0.056 0.000 1.109 168 T CB 0.484 69.348 68.868 -0.007 0.000 0.932 168 T HN 0.362 nan 8.240 nan 0.000 0.518 169 N N 1.907 120.532 118.700 -0.124 0.000 2.714 169 N HA -0.166 4.574 4.740 -0.000 0.000 0.253 169 N C -0.921 174.541 175.510 -0.079 0.000 1.024 169 N CA 0.257 53.244 53.050 -0.106 0.000 0.726 169 N CB -0.607 37.841 38.487 -0.065 0.000 0.908 169 N HN 0.601 nan 8.380 nan 0.000 0.542 170 D N -0.454 119.879 120.400 -0.112 0.000 2.619 170 D HA 0.161 4.801 4.640 -0.000 0.000 0.224 170 D C 1.344 177.607 176.300 -0.063 0.000 1.133 170 D CA 0.409 54.399 54.000 -0.018 0.000 1.017 170 D CB -0.098 40.767 40.800 0.109 0.000 1.077 170 D HN 0.425 nan 8.370 nan 0.000 0.503 171 T N -0.381 114.138 114.554 -0.058 0.000 2.951 171 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 171 T C 1.535 176.207 174.700 -0.047 0.000 1.073 171 T CA 0.804 62.866 62.100 -0.063 0.000 1.134 171 T CB -0.135 68.701 68.868 -0.053 0.000 0.884 171 T HN 0.319 nan 8.240 nan 0.000 0.479 172 Q N 0.991 120.768 119.800 -0.037 0.000 2.482 172 Q HA 0.124 4.464 4.340 -0.000 0.000 0.209 172 Q C -0.049 175.923 176.000 -0.048 0.000 0.961 172 Q CA -0.253 55.524 55.803 -0.043 0.000 0.945 172 Q CB -0.125 28.578 28.738 -0.058 0.000 1.012 172 Q HN 0.481 nan 8.270 nan 0.000 0.515 173 N N 0.777 119.462 118.700 -0.025 0.000 2.688 173 N HA -0.202 4.538 4.740 -0.000 0.000 0.258 173 N C 0.247 175.697 175.510 -0.099 0.000 1.016 173 N CA 0.392 53.440 53.050 -0.004 0.000 0.747 173 N CB -0.913 37.571 38.487 -0.004 0.000 0.895 173 N HN 0.386 nan 8.380 nan 0.000 0.543 174 L N -1.668 119.442 121.223 -0.189 0.000 2.376 174 L HA 0.048 4.388 4.340 -0.000 0.000 0.219 174 L C 0.613 177.018 176.870 -0.775 0.000 1.133 174 L CA 1.114 55.636 54.840 -0.531 0.000 0.816 174 L CB -0.121 41.473 42.059 -0.775 0.000 0.933 174 L HN 0.121 nan 8.230 nan 0.000 0.449 175 F N -2.605 117.241 119.950 -0.172 0.000 2.611 175 F HA 0.392 4.919 4.527 -0.000 0.000 0.324 175 F C 0.322 175.875 175.800 -0.410 0.000 1.061 175 F CA -0.989 56.840 58.000 -0.286 0.000 0.954 175 F CB 0.940 39.864 39.000 -0.127 0.000 1.301 175 F HN -0.228 nan 8.300 nan 0.000 0.482 176 H N 0.400 119.402 119.070 -0.113 0.000 2.525 176 H HA 0.310 4.865 4.556 -0.000 0.000 0.339 176 H C -0.634 174.339 175.328 -0.591 0.000 1.109 176 H CA -0.388 55.522 56.048 -0.230 0.000 1.352 176 H CB 0.724 30.545 29.762 0.099 0.000 1.461 176 H HN 0.455 nan 8.280 nan 0.000 0.533 177 H N 4.036 122.892 119.070 -0.357 0.000 2.535 177 H HA 0.043 4.599 4.556 -0.000 0.000 0.232 177 H C -0.576 174.503 175.328 -0.415 0.000 1.405 177 H CA -0.017 55.829 56.048 -0.337 0.000 1.224 177 H CB 0.125 29.644 29.762 -0.404 0.000 1.763 177 H HN 0.748 nan 8.280 nan 0.000 0.529 178 Y N -0.030 120.317 120.300 0.078 0.000 2.531 178 Y HA 0.342 4.892 4.550 0.000 0.000 0.249 178 Y C 1.620 177.518 175.900 -0.003 0.000 1.168 178 Y CA 0.303 58.407 58.100 0.007 0.000 1.226 178 Y CB 1.130 39.560 38.460 -0.049 0.000 1.177 178 Y HN 0.615 nan 8.280 nan 0.000 0.527 179 G N -0.107 108.765 108.800 0.121 0.000 2.582 179 G HA2 0.105 4.065 3.960 -0.000 0.000 0.222 179 G HA3 0.105 4.065 3.960 -0.000 0.000 0.222 179 G C -0.044 174.864 174.900 0.014 0.000 1.311 179 G CA -0.679 44.456 45.100 0.058 0.000 0.915 179 G HN 0.569 nan 8.290 nan 0.000 0.528 180 G N -1.095 107.678 108.800 -0.046 0.000 2.417 180 G HA2 0.718 4.678 3.960 -0.000 0.000 0.334 180 G HA3 0.718 4.678 3.960 -0.000 0.000 0.334 180 G C 0.182 174.966 174.900 -0.194 0.000 1.150 180 G CA 0.948 45.973 45.100 -0.126 0.000 0.923 180 G HN 1.390 nan 8.290 nan 0.000 0.485 181 T N -0.853 113.488 114.554 -0.355 0.000 2.913 181 T HA 0.252 4.602 4.350 -0.000 0.000 0.297 181 T C 0.808 175.212 174.700 -0.493 0.000 1.029 181 T CA 0.122 61.931 62.100 -0.484 0.000 1.104 181 T CB 0.844 69.239 68.868 -0.789 0.000 0.964 181 T HN 0.578 nan 8.240 nan 0.000 0.532 182 D N 2.085 122.290 120.400 -0.325 0.000 2.395 182 D HA 0.075 4.715 4.640 -0.000 0.000 0.213 182 D C 0.539 176.869 176.300 0.049 0.000 1.110 182 D CA -0.377 53.561 54.000 -0.104 0.000 0.835 182 D CB -0.682 40.103 40.800 -0.026 0.000 0.965 182 D HN 0.632 nan 8.370 nan 0.000 0.505 183 F N 0.497 120.413 119.950 -0.057 0.000 3.034 183 F HA -0.308 4.219 4.527 -0.000 0.000 0.286 183 F C 1.767 177.551 175.800 -0.026 0.000 0.804 183 F CA 0.685 58.663 58.000 -0.037 0.000 1.161 183 F CB -2.528 36.453 39.000 -0.032 0.000 1.317 183 F HN 0.134 nan 8.300 nan 0.000 0.453 184 S N -1.808 113.932 115.700 0.067 0.000 2.406 184 S HA 0.059 4.529 4.470 -0.000 0.000 0.228 184 S C 0.965 175.587 174.600 0.036 0.000 1.020 184 S CA 1.080 59.310 58.200 0.050 0.000 0.965 184 S CB -0.046 63.160 63.200 0.011 0.000 0.798 184 S HN 0.614 nan 8.310 nan 0.000 0.488 185 T N -2.217 112.340 114.554 0.004 0.000 2.883 185 T HA 0.648 4.998 4.350 -0.000 0.000 0.296 185 T C 0.811 175.494 174.700 -0.028 0.000 1.117 185 T CA -0.881 61.214 62.100 -0.007 0.000 1.006 185 T CB 0.997 69.837 68.868 -0.047 0.000 1.191 185 T HN -0.003 nan 8.240 nan 0.000 0.508 186 I N 0.572 121.134 120.570 -0.014 0.000 2.226 186 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 186 I C 2.807 178.835 176.117 -0.149 0.000 1.100 186 I CA 1.612 62.885 61.300 -0.045 0.000 1.374 186 I CB -0.212 37.834 38.000 0.076 0.000 1.057 186 I HN 0.908 nan 8.210 nan 0.000 0.413 187 E N 1.263 121.279 120.200 -0.306 0.000 2.058 187 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 187 E C 2.072 178.553 176.600 -0.198 0.000 0.997 187 E CA 1.453 57.526 56.400 -0.544 0.000 0.801 187 E CB -0.166 29.058 29.700 -0.794 0.000 0.746 187 E HN 0.418 nan 8.360 nan 0.000 0.450 188 N N 0.108 118.711 118.700 -0.161 0.000 2.069 188 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 188 N C 1.940 177.363 175.510 -0.146 0.000 1.031 188 N CA 1.630 54.602 53.050 -0.128 0.000 0.852 188 N CB -0.382 38.032 38.487 -0.122 0.000 1.018 188 N HN 0.249 nan 8.380 nan 0.000 0.423 189 G N 0.371 109.091 108.800 -0.135 0.000 2.559 189 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.216 189 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.216 189 G C 1.666 176.563 174.900 -0.004 0.000 1.126 189 G CA 0.122 45.175 45.100 -0.079 0.000 0.778 189 G HN 0.334 nan 8.290 nan 0.000 0.543 190 I N -1.433 119.054 120.570 -0.139 0.000 2.556 190 I HA 0.066 4.236 4.170 -0.000 0.000 0.251 190 I C 1.870 177.771 176.117 -0.360 0.000 1.105 190 I CA 0.572 61.705 61.300 -0.277 0.000 1.436 190 I CB 0.101 37.821 38.000 -0.466 0.000 1.139 190 I HN 0.085 nan 8.210 nan 0.000 0.438 191 Y N 1.018 121.270 120.300 -0.080 0.000 2.510 191 Y HA 0.191 4.741 4.550 -0.000 0.000 0.273 191 Y C 0.976 176.804 175.900 -0.120 0.000 1.119 191 Y CA 0.061 58.021 58.100 -0.233 0.000 1.286 191 Y CB -0.039 38.184 38.460 -0.395 0.000 1.061 191 Y HN -0.087 nan 8.280 nan 0.000 0.542 192 K N 0.890 121.298 120.400 0.013 0.000 2.106 192 K HA 0.201 4.521 4.320 -0.000 0.000 0.246 192 K C -0.470 176.098 176.600 -0.053 0.000 0.987 192 K CA -0.963 55.333 56.287 0.015 0.000 0.904 192 K CB 0.527 32.980 32.500 -0.078 0.000 1.071 192 K HN -0.060 nan 8.250 nan 0.000 0.453 193 N N 1.513 120.175 118.700 -0.063 0.000 2.513 193 N HA 0.059 4.799 4.740 -0.000 0.000 0.268 193 N C -0.360 174.954 175.510 -0.327 0.000 1.180 193 N CA 0.018 52.984 53.050 -0.140 0.000 0.948 193 N CB 0.326 38.736 38.487 -0.128 0.000 1.083 193 N HN 0.350 nan 8.380 nan 0.000 0.455 194 L N 4.510 125.483 121.223 -0.417 0.000 2.385 194 L HA 0.044 4.384 4.340 -0.000 0.000 0.281 194 L C 0.172 176.647 176.870 -0.657 0.000 1.106 194 L CA 0.070 54.458 54.840 -0.754 0.000 0.856 194 L CB -0.538 41.083 42.059 -0.730 0.000 1.186 194 L HN 0.566 nan 8.230 nan 0.000 0.453 195 Y N 1.443 121.645 120.300 -0.163 0.000 2.836 195 Y HA -0.440 4.110 4.550 -0.000 0.000 0.470 195 Y C 1.351 177.163 175.900 -0.146 0.000 1.156 195 Y CA 1.249 59.273 58.100 -0.125 0.000 2.676 195 Y CB -1.146 37.244 38.460 -0.117 0.000 1.184 195 Y HN 0.806 nan 8.280 nan 0.000 0.622 196 D N 0.738 121.166 120.400 0.045 0.000 2.479 196 D HA 0.252 4.892 4.640 -0.000 0.000 0.218 196 D C -0.301 175.897 176.300 -0.170 0.000 1.177 196 D CA 0.013 53.971 54.000 -0.070 0.000 0.830 196 D CB -0.549 40.248 40.800 -0.005 0.000 1.014 196 D HN 0.430 nan 8.370 nan 0.000 0.503 197 L N 1.354 122.470 121.223 -0.179 0.000 2.360 197 L HA 0.409 4.748 4.340 -0.000 0.000 0.276 197 L C 0.732 177.444 176.870 -0.263 0.000 1.121 197 L CA -0.832 53.862 54.840 -0.243 0.000 0.845 197 L CB 0.909 42.777 42.059 -0.319 0.000 1.143 197 L HN 0.015 nan 8.230 nan 0.000 0.452 198 A N 2.901 125.509 122.820 -0.352 0.000 2.505 198 A HA 0.029 4.349 4.320 -0.000 0.000 0.271 198 A C -0.057 177.531 177.584 0.006 0.000 1.112 198 A CA -0.262 51.485 52.037 -0.483 0.000 0.781 198 A CB -0.329 18.214 19.000 -0.760 0.000 1.059 198 A HN 0.719 nan 8.150 nan 0.000 0.508 199 D N 2.497 122.933 120.400 0.061 0.000 2.371 199 D HA 0.328 4.968 4.640 -0.000 0.000 0.256 199 D C 0.084 176.410 176.300 0.043 0.000 1.193 199 D CA 0.295 54.361 54.000 0.109 0.000 0.881 199 D CB 0.338 41.237 40.800 0.165 0.000 1.143 199 D HN 0.482 nan 8.370 nan 0.000 0.473 200 L N 3.447 124.587 121.223 -0.140 0.000 2.426 200 L HA 0.134 4.474 4.340 -0.000 0.000 0.271 200 L C 0.640 176.950 176.870 -0.933 0.000 1.169 200 L CA -0.308 54.220 54.840 -0.521 0.000 0.836 200 L CB 0.435 42.143 42.059 -0.585 0.000 1.112 200 L HN 0.405 nan 8.230 nan 0.000 0.465 201 N N 1.121 119.284 118.700 -0.896 0.000 2.500 201 N HA 0.115 4.855 4.740 -0.000 0.000 0.236 201 N C 0.444 175.598 175.510 -0.594 0.000 1.022 201 N CA -0.181 52.397 53.050 -0.786 0.000 0.935 201 N CB 0.434 38.638 38.487 -0.471 0.000 1.147 201 N HN 0.424 nan 8.380 nan 0.000 0.512 202 H N 1.230 120.074 119.070 -0.377 0.000 2.547 202 H HA 0.048 4.604 4.556 -0.000 0.000 0.272 202 H C 1.103 176.334 175.328 -0.162 0.000 0.989 202 H CA 0.486 56.225 56.048 -0.514 0.000 1.214 202 H CB 0.298 29.351 29.762 -1.182 0.000 1.389 202 H HN 0.531 nan 8.280 nan 0.000 0.577 203 N N 0.708 119.456 118.700 0.080 0.000 2.494 203 N HA -0.115 4.625 4.740 -0.000 0.000 0.182 203 N C 0.163 175.719 175.510 0.077 0.000 1.076 203 N CA 0.006 53.145 53.050 0.148 0.000 0.908 203 N CB 0.061 38.672 38.487 0.206 0.000 0.967 203 N HN 0.174 nan 8.380 nan 0.000 0.449 204 N N 0.225 118.920 118.700 -0.008 0.000 2.442 204 N HA 0.027 4.767 4.740 -0.000 0.000 0.265 204 N C 0.227 175.743 175.510 0.010 0.000 1.138 204 N CA 0.190 53.224 53.050 -0.025 0.000 0.956 204 N CB 1.109 39.528 38.487 -0.113 0.000 1.067 204 N HN 0.034 nan 8.380 nan 0.000 0.474 205 S N 2.258 117.983 115.700 0.042 0.000 2.383 205 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 205 S C 1.797 176.435 174.600 0.064 0.000 1.030 205 S CA 1.290 59.533 58.200 0.072 0.000 1.002 205 S CB 0.009 63.250 63.200 0.067 0.000 0.829 205 S HN 0.689 nan 8.310 nan 0.000 0.467 206 S N 0.971 116.685 115.700 0.022 0.000 2.382 206 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 206 S C 1.974 176.594 174.600 0.033 0.000 1.027 206 S CA 1.053 59.264 58.200 0.019 0.000 0.991 206 S CB -0.358 62.820 63.200 -0.037 0.000 0.823 206 S HN 0.339 nan 8.310 nan 0.000 0.469 207 V N 2.034 121.928 119.914 -0.034 0.000 2.379 207 V HA -0.168 3.951 4.120 -0.000 0.000 0.245 207 V C 2.284 178.440 176.094 0.103 0.000 1.044 207 V CA 2.021 64.291 62.300 -0.049 0.000 1.036 207 V CB -0.734 30.938 31.823 -0.252 0.000 0.664 207 V HN 0.461 nan 8.190 nan 0.000 0.453 208 D N 0.197 120.681 120.400 0.140 0.000 2.092 208 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 208 D C 1.991 178.487 176.300 0.326 0.000 0.994 208 D CA 1.911 56.114 54.000 0.338 0.000 0.828 208 D CB -0.125 40.883 40.800 0.347 0.000 0.963 208 D HN 0.191 nan 8.370 nan 0.000 0.450 209 V N -0.198 119.848 119.914 0.220 0.000 2.358 209 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 209 V C 2.140 178.341 176.094 0.179 0.000 1.047 209 V CA 1.851 64.254 62.300 0.172 0.000 1.035 209 V CB -0.950 30.949 31.823 0.127 0.000 0.658 209 V HN 0.337 nan 8.190 nan 0.000 0.452 210 Y N 0.718 121.067 120.300 0.081 0.000 2.114 210 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 210 Y C 2.199 178.165 175.900 0.111 0.000 1.165 210 Y CA 1.848 59.993 58.100 0.075 0.000 1.148 210 Y CB -0.363 38.118 38.460 0.035 0.000 0.972 210 Y HN 0.148 nan 8.280 nan 0.000 0.504 211 L N -0.081 121.198 121.223 0.093 0.000 2.093 211 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 211 L C 2.446 179.467 176.870 0.252 0.000 1.085 211 L CA 1.581 56.471 54.840 0.084 0.000 0.755 211 L CB -0.444 41.764 42.059 0.249 0.000 0.904 211 L HN 0.165 nan 8.230 nan 0.000 0.435 212 K N -0.298 120.256 120.400 0.256 0.000 2.062 212 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 212 K C 1.701 178.289 176.600 -0.020 0.000 1.051 212 K CA 1.265 57.640 56.287 0.146 0.000 0.941 212 K CB -0.078 32.490 32.500 0.114 0.000 0.719 212 K HN 0.184 nan 8.250 nan 0.000 0.440 213 D N 0.725 121.101 120.400 -0.039 0.000 2.144 213 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 213 D C 1.759 177.997 176.300 -0.103 0.000 0.984 213 D CA 1.274 55.218 54.000 -0.093 0.000 0.834 213 D CB -0.135 40.632 40.800 -0.056 0.000 0.955 213 D HN 0.214 nan 8.370 nan 0.000 0.465 214 A N 0.533 123.293 122.820 -0.101 0.000 1.873 214 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 214 A C 2.208 179.887 177.584 0.158 0.000 1.186 214 A CA 0.790 52.836 52.037 0.015 0.000 0.616 214 A CB -0.631 18.378 19.000 0.016 0.000 0.823 214 A HN 0.194 nan 8.150 nan 0.000 0.442 215 I N -0.099 120.503 120.570 0.054 0.000 2.361 215 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 215 I C 2.102 178.183 176.117 -0.059 0.000 1.133 215 I CA 1.564 62.781 61.300 -0.139 0.000 1.413 215 I CB -0.270 37.501 38.000 -0.381 0.000 1.073 215 I HN 0.255 nan 8.210 nan 0.000 0.424 216 K N -0.419 119.906 120.400 -0.125 0.000 2.057 216 K HA -0.217 4.102 4.320 -0.000 0.000 0.207 216 K C 2.182 178.760 176.600 -0.036 0.000 1.049 216 K CA 1.935 58.129 56.287 -0.156 0.000 0.931 216 K CB -0.330 31.896 32.500 -0.456 0.000 0.714 216 K HN 0.389 nan 8.250 nan 0.000 0.440 217 M N -0.410 119.131 119.600 -0.098 0.000 2.080 217 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 217 M C 1.413 177.585 176.300 -0.213 0.000 1.068 217 M CA 1.840 57.030 55.300 -0.184 0.000 1.109 217 M CB -0.164 32.243 32.600 -0.321 0.000 1.342 217 M HN 0.232 nan 8.290 nan 0.000 0.405 218 W N 0.510 121.824 121.300 0.024 0.000 2.402 218 W HA -0.096 4.564 4.660 -0.000 0.000 0.286 218 W C 2.055 178.628 176.519 0.090 0.000 1.221 218 W CA 0.655 58.031 57.345 0.053 0.000 1.257 218 W CB -0.392 29.082 29.460 0.022 0.000 1.120 218 W HN 0.198 nan 8.180 nan 0.000 0.551 219 L N -0.133 121.227 121.223 0.229 0.000 2.083 219 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 219 L C 1.868 178.843 176.870 0.174 0.000 1.083 219 L CA 1.156 56.114 54.840 0.197 0.000 0.752 219 L CB -0.736 41.446 42.059 0.204 0.000 0.899 219 L HN -0.107 nan 8.230 nan 0.000 0.433 220 D N 0.131 120.626 120.400 0.158 0.000 2.218 220 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 220 D C 2.155 178.509 176.300 0.090 0.000 0.976 220 D CA 1.074 55.142 54.000 0.112 0.000 0.853 220 D CB -0.046 40.803 40.800 0.082 0.000 0.939 220 D HN 0.296 nan 8.370 nan 0.000 0.481 221 L N -0.838 120.453 121.223 0.113 0.000 2.599 221 L HA 0.166 4.506 4.340 -0.000 0.000 0.230 221 L C 1.356 178.334 176.870 0.179 0.000 1.141 221 L CA 0.451 55.383 54.840 0.154 0.000 0.877 221 L CB -0.005 42.197 42.059 0.238 0.000 1.009 221 L HN 0.132 nan 8.230 nan 0.000 0.447 222 G N 0.261 109.170 108.800 0.181 0.000 2.138 222 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.193 222 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.193 222 G C 0.237 175.268 174.900 0.218 0.000 0.998 222 G CA -0.074 45.134 45.100 0.180 0.000 0.668 222 G HN 0.152 nan 8.290 nan 0.000 0.516 223 V N -2.069 117.994 119.914 0.248 0.000 2.924 223 V HA 0.603 4.723 4.120 -0.000 0.000 0.305 223 V C 0.801 177.042 176.094 0.246 0.000 1.073 223 V CA 0.481 62.932 62.300 0.252 0.000 1.098 223 V CB 1.443 33.449 31.823 0.306 0.000 1.000 223 V HN 0.100 nan 8.190 nan 0.000 0.484 224 D N 2.195 122.767 120.400 0.287 0.000 2.407 224 D HA 0.340 4.980 4.640 -0.000 0.000 0.208 224 D C 0.659 177.205 176.300 0.410 0.000 1.083 224 D CA 1.154 55.364 54.000 0.350 0.000 0.844 224 D CB 1.299 42.343 40.800 0.406 0.000 0.967 224 D HN 0.959 nan 8.370 nan 0.000 0.506 225 G N 0.392 109.350 108.800 0.263 0.000 2.601 225 G HA2 0.572 4.532 3.960 -0.000 0.000 0.291 225 G HA3 0.572 4.532 3.960 -0.000 0.000 0.291 225 G C -1.730 173.171 174.900 0.002 0.000 1.456 225 G CA -0.657 44.513 45.100 0.117 0.000 0.804 225 G HN -0.003 nan 8.290 nan 0.000 0.499 226 I N 0.695 121.172 120.570 -0.155 0.000 2.569 226 I HA 0.495 4.665 4.170 -0.000 0.000 0.290 226 I C -0.376 175.409 176.117 -0.554 0.000 1.088 226 I CA -0.947 60.221 61.300 -0.219 0.000 1.047 226 I CB 2.410 40.323 38.000 -0.144 0.000 1.237 226 I HN 0.256 nan 8.210 nan 0.000 0.421 227 R N 5.991 126.104 120.500 -0.645 0.000 2.310 227 R HA 0.536 4.876 4.340 -0.000 0.000 0.324 227 R C -1.612 174.469 176.300 -0.365 0.000 0.955 227 R CA -0.566 54.896 56.100 -1.064 0.000 0.830 227 R CB 1.518 31.039 30.300 -1.299 0.000 1.154 227 R HN 0.427 nan 8.270 nan 0.000 0.458 228 V N 4.417 124.182 119.914 -0.249 0.000 2.432 228 V HA 0.087 4.207 4.120 -0.000 0.000 0.275 228 V C 0.415 176.525 176.094 0.026 0.000 1.043 228 V CA -0.740 61.567 62.300 0.013 0.000 0.925 228 V CB 1.344 33.232 31.823 0.108 0.000 0.985 228 V HN 0.681 nan 8.190 nan 0.000 0.466 229 D N 4.280 124.721 120.400 0.068 0.000 2.345 229 D HA 0.466 5.106 4.640 -0.000 0.000 0.247 229 D C 0.734 177.079 176.300 0.075 0.000 1.108 229 D CA 0.659 54.707 54.000 0.079 0.000 0.894 229 D CB 0.950 41.788 40.800 0.063 0.000 1.203 229 D HN 1.122 nan 8.370 nan 0.000 0.430 230 A N 2.482 125.359 122.820 0.096 0.000 2.667 230 A HA -0.165 4.154 4.320 -0.000 0.000 0.298 230 A C 1.403 178.994 177.584 0.011 0.000 1.483 230 A CA 0.898 53.004 52.037 0.115 0.000 0.738 230 A CB -2.405 16.702 19.000 0.180 0.000 1.067 230 A HN 1.114 nan 8.150 nan 0.000 0.451 231 V N -1.997 117.873 119.914 -0.073 0.000 2.913 231 V HA -0.091 4.029 4.120 -0.000 0.000 0.260 231 V C 1.862 177.721 176.094 -0.392 0.000 1.098 231 V CA 2.387 64.579 62.300 -0.181 0.000 1.121 231 V CB -0.583 31.064 31.823 -0.295 0.000 0.714 231 V HN 0.663 nan 8.190 nan 0.000 0.487 232 K N -0.770 119.249 120.400 -0.636 0.000 2.432 232 K HA -0.052 4.268 4.320 -0.000 0.000 0.196 232 K C 1.326 177.418 176.600 -0.846 0.000 1.038 232 K CA 0.767 56.406 56.287 -1.080 0.000 0.986 232 K CB -0.053 31.485 32.500 -1.604 0.000 0.782 232 K HN 0.660 nan 8.250 nan 0.000 0.485 233 H N -0.822 118.112 119.070 -0.227 0.000 2.528 233 H HA 0.257 4.813 4.556 -0.000 0.000 0.282 233 H C -0.297 174.959 175.328 -0.120 0.000 1.097 233 H CA 0.021 55.969 56.048 -0.166 0.000 1.121 233 H CB 0.315 29.999 29.762 -0.130 0.000 1.590 233 H HN 0.105 nan 8.280 nan 0.000 0.553 234 M N 0.838 120.419 119.600 -0.031 0.000 2.591 234 M HA 0.364 4.844 4.480 -0.000 0.000 0.306 234 M C -2.611 173.722 176.300 0.055 0.000 1.190 234 M CA -1.912 53.385 55.300 -0.005 0.000 0.889 234 M CB 2.823 35.425 32.600 0.003 0.000 1.728 234 M HN -0.201 nan 8.290 nan 0.000 0.458 235 P HA -0.007 nan 4.420 nan 0.000 0.264 235 P C 0.008 177.490 177.300 0.303 0.000 1.193 235 P CA 0.045 63.262 63.100 0.195 0.000 0.763 235 P CB 0.250 32.102 31.700 0.253 0.000 0.810 236 F N 4.322 124.392 119.950 0.200 0.000 2.095 236 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 236 F C 2.183 178.072 175.800 0.149 0.000 1.104 236 F CA 2.536 60.693 58.000 0.261 0.000 1.232 236 F CB -0.932 38.231 39.000 0.271 0.000 0.987 236 F HN 0.380 nan 8.300 nan 0.000 0.475 237 G N -0.765 108.264 108.800 0.381 0.000 2.440 237 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.218 237 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.218 237 G C 1.462 176.445 174.900 0.139 0.000 1.154 237 G CA 0.835 46.090 45.100 0.258 0.000 0.767 237 G HN 0.627 nan 8.290 nan 0.000 0.552 238 W N 1.231 122.565 121.300 0.056 0.000 2.381 238 W HA -0.023 4.637 4.660 -0.000 0.000 0.301 238 W C 2.842 179.350 176.519 -0.018 0.000 1.205 238 W CA 1.591 58.948 57.345 0.020 0.000 1.285 238 W CB -0.101 29.340 29.460 -0.032 0.000 1.133 238 W HN 0.280 nan 8.180 nan 0.000 0.521 239 Q N 0.187 119.960 119.800 -0.044 0.000 2.170 239 Q HA -0.249 4.090 4.340 -0.000 0.000 0.203 239 Q C 2.166 177.979 176.000 -0.312 0.000 0.976 239 Q CA 1.739 57.433 55.803 -0.181 0.000 0.858 239 Q CB -0.422 28.343 28.738 0.045 0.000 0.907 239 Q HN 0.342 nan 8.270 nan 0.000 0.433 240 K N 0.716 120.880 120.400 -0.393 0.000 2.097 240 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 240 K C 2.236 178.674 176.600 -0.269 0.000 1.050 240 K CA 1.503 57.568 56.287 -0.369 0.000 0.938 240 K CB 0.021 32.328 32.500 -0.321 0.000 0.718 240 K HN 0.193 nan 8.250 nan 0.000 0.442 241 S N -0.150 115.380 115.700 -0.283 0.000 2.406 241 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 241 S C 1.847 176.240 174.600 -0.344 0.000 1.020 241 S CA 0.407 58.449 58.200 -0.264 0.000 0.965 241 S CB -0.523 62.545 63.200 -0.221 0.000 0.798 241 S HN 0.392 nan 8.310 nan 0.000 0.488 242 F N 2.367 121.879 119.950 -0.730 0.000 2.113 242 F HA 0.072 4.599 4.527 -0.000 0.000 0.297 242 F C 2.287 177.852 175.800 -0.392 0.000 1.103 242 F CA 1.355 58.939 58.000 -0.694 0.000 1.248 242 F CB -0.351 37.995 39.000 -1.091 0.000 0.999 242 F HN 0.094 nan 8.300 nan 0.000 0.475 243 M N 0.381 119.775 119.600 -0.342 0.000 2.159 243 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 243 M C 2.508 178.636 176.300 -0.286 0.000 1.063 243 M CA 1.526 56.628 55.300 -0.331 0.000 1.110 243 M CB -1.995 30.461 32.600 -0.241 0.000 1.374 243 M HN 0.313 nan 8.290 nan 0.000 0.411 244 A N -0.391 122.283 122.820 -0.243 0.000 1.933 244 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 244 A C 2.330 179.814 177.584 -0.166 0.000 1.175 244 A CA 2.243 54.177 52.037 -0.172 0.000 0.628 244 A CB -1.093 17.825 19.000 -0.137 0.000 0.814 244 A HN 0.468 nan 8.150 nan 0.000 0.444 245 T N 0.288 114.703 114.554 -0.231 0.000 2.708 245 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 245 T C 1.800 176.386 174.700 -0.191 0.000 1.037 245 T CA 1.614 63.587 62.100 -0.212 0.000 1.146 245 T CB -0.396 68.306 68.868 -0.277 0.000 0.865 245 T HN 0.431 nan 8.240 nan 0.000 0.435 246 I N 1.413 121.800 120.570 -0.305 0.000 2.163 246 I HA -0.173 3.997 4.170 -0.000 0.000 0.240 246 I C 2.368 178.437 176.117 -0.079 0.000 1.081 246 I CA 1.023 62.197 61.300 -0.210 0.000 1.353 246 I CB -0.309 37.478 38.000 -0.354 0.000 1.054 246 I HN 0.152 nan 8.210 nan 0.000 0.407 247 N N 0.876 119.514 118.700 -0.104 0.000 2.244 247 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 247 N C 1.309 176.809 175.510 -0.016 0.000 1.016 247 N CA 0.987 54.006 53.050 -0.050 0.000 0.866 247 N CB -0.473 37.977 38.487 -0.063 0.000 0.980 247 N HN 0.333 nan 8.380 nan 0.000 0.430 248 N N -0.507 118.186 118.700 -0.012 0.000 2.398 248 N HA -0.037 4.703 4.740 -0.000 0.000 0.188 248 N C 0.970 176.521 175.510 0.069 0.000 1.122 248 N CA 0.151 53.210 53.050 0.016 0.000 0.866 248 N CB 0.214 38.704 38.487 0.006 0.000 0.970 248 N HN 0.455 nan 8.380 nan 0.000 0.462 249 Y N 0.465 120.722 120.300 -0.072 0.000 2.624 249 Y HA 0.295 4.845 4.550 -0.000 0.000 0.260 249 Y C -0.223 175.650 175.900 -0.045 0.000 1.090 249 Y CA 0.314 58.378 58.100 -0.061 0.000 1.347 249 Y CB 0.780 39.190 38.460 -0.083 0.000 1.349 249 Y HN -0.302 nan 8.280 nan 0.000 0.502 250 K N 2.076 122.393 120.400 -0.137 0.000 2.832 250 K HA 0.263 4.583 4.320 -0.000 0.000 0.243 250 K C -2.943 173.633 176.600 -0.040 0.000 1.117 250 K CA -2.011 54.163 56.287 -0.189 0.000 1.068 250 K CB 1.645 33.983 32.500 -0.272 0.000 1.286 250 K HN 0.044 nan 8.250 nan 0.000 0.553 251 P HA -0.005 nan 4.420 nan 0.000 0.267 251 P C -0.318 177.011 177.300 0.048 0.000 1.205 251 P CA -0.185 62.920 63.100 0.009 0.000 0.765 251 P CB 0.955 32.670 31.700 0.025 0.000 0.828 252 V N 0.988 120.940 119.914 0.065 0.000 3.078 252 V HA 0.483 4.602 4.120 -0.000 0.000 0.311 252 V C -0.332 175.863 176.094 0.167 0.000 1.138 252 V CA -1.579 60.809 62.300 0.145 0.000 1.007 252 V CB 1.761 33.666 31.823 0.138 0.000 1.045 252 V HN 0.399 nan 8.190 nan 0.000 0.432 253 F N 2.269 122.249 119.950 0.050 0.000 2.569 253 F HA 0.386 4.913 4.527 -0.000 0.000 0.395 253 F C 0.409 176.170 175.800 -0.066 0.000 1.028 253 F CA 1.067 59.031 58.000 -0.059 0.000 1.158 253 F CB 0.203 39.009 39.000 -0.322 0.000 1.023 253 F HN 0.775 nan 8.300 nan 0.000 0.547 254 T N 7.916 122.218 114.554 -0.421 0.000 2.841 254 T HA 0.566 4.916 4.350 -0.000 0.000 0.283 254 T C -0.998 173.455 174.700 -0.412 0.000 1.000 254 T CA -0.365 61.503 62.100 -0.386 0.000 0.977 254 T CB 1.113 69.856 68.868 -0.207 0.000 0.979 254 T HN 0.469 nan 8.240 nan 0.000 0.446 255 F N -0.519 119.079 119.950 -0.587 0.000 2.613 255 F HA 0.910 5.437 4.527 0.000 0.000 0.310 255 F C 0.089 175.784 175.800 -0.174 0.000 1.085 255 F CA -1.304 56.447 58.000 -0.416 0.000 0.945 255 F CB 1.269 39.943 39.000 -0.543 0.000 1.298 255 F HN 0.735 nan 8.300 nan 0.000 0.455 256 G N 0.073 108.933 108.800 0.100 0.000 2.644 256 G HA2 0.527 4.487 3.960 -0.000 0.000 0.307 256 G HA3 0.527 4.487 3.960 -0.000 0.000 0.307 256 G C -2.083 172.948 174.900 0.219 0.000 1.250 256 G CA -0.875 44.282 45.100 0.096 0.000 0.996 256 G HN 0.885 nan 8.290 nan 0.000 0.489 257 E N -0.025 120.309 120.200 0.224 0.000 2.133 257 E HA 0.303 4.653 4.350 -0.000 0.000 0.274 257 E C -1.489 175.320 176.600 0.348 0.000 0.930 257 E CA -0.900 55.727 56.400 0.380 0.000 0.770 257 E CB 1.324 31.266 29.700 0.403 0.000 1.104 257 E HN 0.441 nan 8.360 nan 0.000 0.403 258 W N 8.081 129.516 121.300 0.225 0.000 2.543 258 W HA 0.277 4.937 4.660 0.000 0.000 0.318 258 W C -1.905 174.692 176.519 0.130 0.000 1.002 258 W CA -1.442 55.985 57.345 0.137 0.000 1.302 258 W CB 0.509 30.043 29.460 0.123 0.000 1.299 258 W HN 0.505 nan 8.180 nan 0.000 0.424 259 F N 6.242 126.199 119.950 0.012 0.000 2.471 259 F HA 0.436 4.963 4.527 0.000 0.000 0.353 259 F C -0.634 175.063 175.800 -0.173 0.000 1.113 259 F CA 0.470 58.177 58.000 -0.489 0.000 1.262 259 F CB 0.665 39.435 39.000 -0.383 0.000 1.146 259 F HN 0.174 nan 8.300 nan 0.000 0.578 260 L N 5.559 126.177 121.223 -1.008 0.000 2.386 260 L HA 0.539 4.879 4.340 -0.000 0.000 0.271 260 L C 0.403 176.775 176.870 -0.830 0.000 0.993 260 L CA -0.935 53.570 54.840 -0.558 0.000 0.819 260 L CB 1.766 43.576 42.059 -0.415 0.000 1.294 260 L HN 0.784 nan 8.230 nan 0.000 0.414 261 G N 1.267 109.887 108.800 -0.301 0.000 2.557 261 G HA2 0.452 4.412 3.960 -0.000 0.000 0.292 261 G HA3 0.452 4.412 3.960 -0.000 0.000 0.292 261 G C -0.227 174.627 174.900 -0.077 0.000 1.237 261 G CA -0.556 44.487 45.100 -0.095 0.000 0.978 261 G HN 0.283 nan 8.290 nan 0.000 0.498 262 V N 1.017 120.929 119.914 -0.003 0.000 2.617 262 V HA -0.008 4.112 4.120 -0.000 0.000 0.304 262 V C 1.109 177.195 176.094 -0.013 0.000 1.040 262 V CA 1.146 63.443 62.300 -0.005 0.000 1.149 262 V CB 0.113 31.945 31.823 0.014 0.000 0.914 262 V HN 1.015 nan 8.190 nan 0.000 0.487 263 N N 0.785 119.473 118.700 -0.021 0.000 2.732 263 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 263 N C 0.380 175.877 175.510 -0.023 0.000 1.097 263 N CA 1.258 54.296 53.050 -0.019 0.000 0.812 263 N CB -0.508 37.972 38.487 -0.012 0.000 1.148 263 N HN 0.915 nan 8.380 nan 0.000 0.572 264 E N 1.135 121.311 120.200 -0.040 0.000 2.289 264 E HA 0.295 4.645 4.350 -0.000 0.000 0.278 264 E C -0.607 175.946 176.600 -0.078 0.000 1.032 264 E CA -0.341 56.032 56.400 -0.044 0.000 0.854 264 E CB 0.537 30.210 29.700 -0.046 0.000 1.046 264 E HN 0.088 nan 8.360 nan 0.000 0.409 265 I N 3.384 123.926 120.570 -0.047 0.000 2.498 265 I HA 0.185 4.355 4.170 -0.000 0.000 0.290 265 I C -0.346 175.764 176.117 -0.011 0.000 1.032 265 I CA -0.648 60.626 61.300 -0.044 0.000 1.073 265 I CB 1.278 39.283 38.000 0.009 0.000 1.251 265 I HN 0.397 nan 8.210 nan 0.000 0.426 266 S N 7.894 123.574 115.700 -0.033 0.000 2.552 266 S HA 0.550 5.020 4.470 -0.000 0.000 0.314 266 S C -1.716 172.947 174.600 0.105 0.000 1.099 266 S CA -1.429 56.792 58.200 0.034 0.000 1.070 266 S CB 1.789 65.003 63.200 0.024 0.000 0.998 266 S HN 0.443 nan 8.310 nan 0.000 0.474 267 P HA -0.102 nan 4.420 nan 0.000 0.216 267 P C 0.699 178.059 177.300 0.101 0.000 1.150 267 P CA 1.251 64.426 63.100 0.124 0.000 0.837 267 P CB 0.208 31.962 31.700 0.091 0.000 0.786 268 E N -0.841 119.419 120.200 0.101 0.000 2.110 268 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 268 E C 2.118 178.562 176.600 -0.260 0.000 0.988 268 E CA 0.892 57.346 56.400 0.091 0.000 0.804 268 E CB -1.332 28.577 29.700 0.349 0.000 0.745 268 E HN 0.377 nan 8.360 nan 0.000 0.458 269 Y N 0.885 120.721 120.300 -0.773 0.000 2.114 269 Y HA -0.288 4.261 4.550 -0.000 0.000 0.284 269 Y C 2.281 177.857 175.900 -0.540 0.000 1.143 269 Y CA 2.006 59.350 58.100 -1.261 0.000 1.135 269 Y CB -0.232 37.547 38.460 -1.134 0.000 0.980 269 Y HN 0.156 nan 8.280 nan 0.000 0.499 270 H N 0.162 119.213 119.070 -0.032 0.000 2.353 270 H HA -0.193 4.363 4.556 0.000 0.000 0.300 270 H C 2.258 177.570 175.328 -0.026 0.000 1.090 270 H CA 1.894 57.908 56.048 -0.056 0.000 1.327 270 H CB -0.479 29.251 29.762 -0.053 0.000 1.383 270 H HN 0.572 nan 8.280 nan 0.000 0.508 271 Q N 0.071 119.932 119.800 0.102 0.000 2.135 271 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 271 Q C 2.182 178.279 176.000 0.162 0.000 0.981 271 Q CA 1.378 57.239 55.803 0.095 0.000 0.856 271 Q CB -0.253 28.524 28.738 0.064 0.000 0.902 271 Q HN 0.345 nan 8.270 nan 0.000 0.425 272 F N 0.618 120.593 119.950 0.042 0.000 2.102 272 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 272 F C 2.158 178.019 175.800 0.103 0.000 1.105 272 F CA 1.557 59.683 58.000 0.211 0.000 1.239 272 F CB -0.426 38.642 39.000 0.113 0.000 0.991 272 F HN 0.181 nan 8.300 nan 0.000 0.474 273 A N 0.109 123.009 122.820 0.133 0.000 1.972 273 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 273 A C 1.849 179.478 177.584 0.076 0.000 1.169 273 A CA 1.906 54.001 52.037 0.096 0.000 0.635 273 A CB -0.739 18.346 19.000 0.143 0.000 0.810 273 A HN 0.497 nan 8.150 nan 0.000 0.446 274 N N -0.494 118.264 118.700 0.097 0.000 2.446 274 N HA 0.008 4.748 4.740 -0.000 0.000 0.179 274 N C 0.866 176.406 175.510 0.051 0.000 1.054 274 N CA 1.046 54.147 53.050 0.084 0.000 0.905 274 N CB 0.106 38.649 38.487 0.093 0.000 0.973 274 N HN 0.702 nan 8.380 nan 0.000 0.448 275 E N -1.240 118.997 120.200 0.061 0.000 2.676 275 E HA 0.108 4.458 4.350 -0.000 0.000 0.225 275 E C 0.954 177.597 176.600 0.071 0.000 0.944 275 E CA -0.018 56.448 56.400 0.110 0.000 1.156 275 E CB 0.520 30.341 29.700 0.202 0.000 1.117 275 E HN 0.202 nan 8.360 nan 0.000 0.523 276 S N -0.590 114.970 115.700 -0.233 0.000 2.458 276 S HA 0.166 4.636 4.470 -0.000 0.000 0.223 276 S C 1.759 176.082 174.600 -0.463 0.000 1.019 276 S CA 0.759 58.542 58.200 -0.696 0.000 0.937 276 S CB 0.454 62.799 63.200 -1.426 0.000 0.788 276 S HN 0.311 nan 8.310 nan 0.000 0.511 277 G N 1.334 109.961 108.800 -0.288 0.000 2.231 277 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.206 277 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.206 277 G C -0.026 174.776 174.900 -0.163 0.000 0.996 277 G CA 0.006 44.984 45.100 -0.204 0.000 0.645 277 G HN 0.848 nan 8.290 nan 0.000 0.498 278 M N 0.524 120.017 119.600 -0.178 0.000 2.662 278 M HA 0.850 5.330 4.480 -0.000 0.000 0.310 278 M C 0.435 176.711 176.300 -0.040 0.000 1.204 278 M CA -0.281 54.960 55.300 -0.099 0.000 0.891 278 M CB 2.034 34.608 32.600 -0.043 0.000 1.732 278 M HN 0.458 nan 8.290 nan 0.000 0.467 279 S N 1.399 117.079 115.700 -0.035 0.000 2.666 279 S HA 0.840 5.310 4.470 -0.000 0.000 0.279 279 S C -0.325 174.330 174.600 0.092 0.000 1.149 279 S CA -0.911 57.296 58.200 0.011 0.000 1.020 279 S CB 0.881 64.067 63.200 -0.023 0.000 1.127 279 S HN 0.744 nan 8.310 nan 0.000 0.537 280 L N -0.153 121.110 121.223 0.067 0.000 2.350 280 L HA 0.491 4.831 4.340 -0.000 0.000 0.260 280 L C -0.817 176.162 176.870 0.180 0.000 1.015 280 L CA -1.059 53.872 54.840 0.153 0.000 0.821 280 L CB 1.609 43.688 42.059 0.032 0.000 1.370 280 L HN 0.557 nan 8.230 nan 0.000 0.416 281 L N 1.591 123.024 121.223 0.350 0.000 2.462 281 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 281 L C 0.062 177.219 176.870 0.479 0.000 1.166 281 L CA 0.083 55.154 54.840 0.385 0.000 0.880 281 L CB 0.183 42.483 42.059 0.402 0.000 1.142 281 L HN 0.503 nan 8.230 nan 0.000 0.473 282 D N 3.027 123.655 120.400 0.379 0.000 2.508 282 D HA -0.007 4.633 4.640 -0.000 0.000 0.224 282 D C 0.778 177.234 176.300 0.261 0.000 1.171 282 D CA 0.074 54.279 54.000 0.341 0.000 1.006 282 D CB 0.208 41.059 40.800 0.086 0.000 1.073 282 D HN 0.307 nan 8.370 nan 0.000 0.513 283 Y N 1.380 121.945 120.300 0.442 0.000 2.333 283 Y HA -0.117 4.432 4.550 -0.000 0.000 0.290 283 Y C 2.517 178.450 175.900 0.056 0.000 1.144 283 Y CA 0.961 59.182 58.100 0.201 0.000 1.228 283 Y CB 0.025 38.541 38.460 0.094 0.000 0.985 283 Y HN 0.301 nan 8.280 nan 0.000 0.542 284 R N -0.409 120.255 120.500 0.274 0.000 2.075 284 R HA -0.206 4.133 4.340 -0.000 0.000 0.232 284 R C 2.135 178.555 176.300 0.201 0.000 1.126 284 R CA 1.632 57.841 56.100 0.181 0.000 0.963 284 R CB -0.622 29.826 30.300 0.247 0.000 0.858 284 R HN 0.375 nan 8.270 nan 0.000 0.435 285 F N 0.853 120.855 119.950 0.087 0.000 2.113 285 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 285 F C 2.143 177.917 175.800 -0.043 0.000 1.103 285 F CA 1.584 59.613 58.000 0.049 0.000 1.248 285 F CB -0.387 38.625 39.000 0.020 0.000 0.999 285 F HN 0.111 nan 8.300 nan 0.000 0.475 286 A N 0.182 123.003 122.820 0.002 0.000 1.877 286 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 286 A C 2.143 179.673 177.584 -0.089 0.000 1.186 286 A CA 1.703 53.587 52.037 -0.255 0.000 0.620 286 A CB -0.856 17.535 19.000 -1.016 0.000 0.822 286 A HN 0.513 nan 8.150 nan 0.000 0.443 287 Q N -0.525 119.257 119.800 -0.028 0.000 2.084 287 Q HA -0.183 4.156 4.340 -0.000 0.000 0.202 287 Q C 2.071 178.059 176.000 -0.020 0.000 0.978 287 Q CA 1.895 57.705 55.803 0.010 0.000 0.844 287 Q CB -0.376 28.369 28.738 0.012 0.000 0.898 287 Q HN 0.619 nan 8.270 nan 0.000 0.426 288 K N 0.979 121.348 120.400 -0.051 0.000 2.103 288 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 288 K C 1.852 178.369 176.600 -0.139 0.000 1.052 288 K CA 1.203 57.435 56.287 -0.092 0.000 0.945 288 K CB -0.451 31.994 32.500 -0.091 0.000 0.722 288 K HN 0.126 nan 8.250 nan 0.000 0.443 289 A N 0.776 123.508 122.820 -0.148 0.000 1.933 289 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 289 A C 2.122 179.806 177.584 0.168 0.000 1.175 289 A CA 1.672 53.692 52.037 -0.028 0.000 0.628 289 A CB -0.438 18.564 19.000 0.002 0.000 0.814 289 A HN 0.346 nan 8.150 nan 0.000 0.444 290 R N -0.672 119.915 120.500 0.145 0.000 2.092 290 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 290 R C 2.419 178.718 176.300 -0.002 0.000 1.119 290 R CA 1.468 57.649 56.100 0.134 0.000 0.970 290 R CB -0.294 30.059 30.300 0.089 0.000 0.864 290 R HN 0.677 nan 8.270 nan 0.000 0.440 291 Q N -0.103 119.671 119.800 -0.043 0.000 2.170 291 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 291 Q C 1.960 177.878 176.000 -0.136 0.000 0.976 291 Q CA 1.318 57.072 55.803 -0.081 0.000 0.858 291 Q CB 0.183 28.872 28.738 -0.082 0.000 0.907 291 Q HN 0.202 nan 8.270 nan 0.000 0.433 292 V N -1.005 118.771 119.914 -0.231 0.000 2.575 292 V HA -0.071 4.049 4.120 -0.000 0.000 0.242 292 V C 1.401 177.236 176.094 -0.431 0.000 1.045 292 V CA 1.223 63.270 62.300 -0.422 0.000 1.065 292 V CB -0.185 31.207 31.823 -0.718 0.000 0.717 292 V HN 0.244 nan 8.190 nan 0.000 0.467 293 F N -0.516 119.427 119.950 -0.012 0.000 2.530 293 F HA 0.204 4.731 4.527 0.000 0.000 0.292 293 F C 2.432 178.300 175.800 0.113 0.000 1.109 293 F CA 0.743 58.802 58.000 0.098 0.000 1.450 293 F CB 0.180 39.312 39.000 0.221 0.000 1.114 293 F HN -0.090 nan 8.300 nan 0.000 0.560 294 R N 0.219 120.763 120.500 0.074 0.000 2.076 294 R HA 0.021 4.361 4.340 -0.000 0.000 0.203 294 R C 1.036 177.243 176.300 -0.154 0.000 1.229 294 R CA 0.850 56.798 56.100 -0.252 0.000 1.094 294 R CB -0.005 29.840 30.300 -0.759 0.000 0.991 294 R HN 0.008 nan 8.270 nan 0.000 0.471 295 D N 0.567 120.891 120.400 -0.128 0.000 2.349 295 D HA -0.058 4.582 4.640 -0.000 0.000 0.215 295 D C -0.104 176.157 176.300 -0.065 0.000 1.016 295 D CA 0.264 54.208 54.000 -0.093 0.000 0.870 295 D CB -0.184 40.568 40.800 -0.081 0.000 0.917 295 D HN 0.374 nan 8.370 nan 0.000 0.524 296 N N 1.045 119.705 118.700 -0.066 0.000 2.721 296 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 296 N C 0.262 175.738 175.510 -0.056 0.000 1.072 296 N CA 0.835 53.848 53.050 -0.060 0.000 0.710 296 N CB -0.631 37.833 38.487 -0.038 0.000 0.993 296 N HN 0.271 nan 8.380 nan 0.000 0.547 297 T N -3.935 110.582 114.554 -0.062 0.000 3.069 297 T HA 0.219 4.569 4.350 -0.000 0.000 0.252 297 T C 0.136 174.803 174.700 -0.054 0.000 1.053 297 T CA -0.054 62.017 62.100 -0.049 0.000 0.964 297 T CB 0.788 69.631 68.868 -0.041 0.000 1.005 297 T HN 0.254 nan 8.240 nan 0.000 0.532 298 D N 0.985 121.339 120.400 -0.077 0.000 2.615 298 D HA 0.405 5.045 4.640 -0.000 0.000 0.267 298 D C -1.271 174.966 176.300 -0.105 0.000 1.236 298 D CA -0.546 53.408 54.000 -0.076 0.000 0.839 298 D CB 2.073 42.823 40.800 -0.083 0.000 1.380 298 D HN 0.282 nan 8.370 nan 0.000 0.433 299 N N -0.166 118.487 118.700 -0.078 0.000 2.906 299 N HA 0.242 4.982 4.740 -0.000 0.000 0.327 299 N C 0.950 176.373 175.510 -0.145 0.000 1.344 299 N CA -0.473 52.519 53.050 -0.097 0.000 0.823 299 N CB 0.233 38.714 38.487 -0.012 0.000 1.351 299 N HN 0.181 nan 8.380 nan 0.000 0.604 300 M N -0.847 118.639 119.600 -0.189 0.000 2.267 300 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 300 M C 1.186 177.338 176.300 -0.247 0.000 1.063 300 M CA 1.472 56.614 55.300 -0.263 0.000 1.090 300 M CB -1.337 31.096 32.600 -0.279 0.000 1.392 300 M HN 0.554 nan 8.290 nan 0.000 0.422 301 Y N -0.197 120.061 120.300 -0.070 0.000 2.293 301 Y HA -0.085 4.465 4.550 0.000 0.000 0.291 301 Y C 2.560 178.427 175.900 -0.055 0.000 1.137 301 Y CA 1.144 59.214 58.100 -0.050 0.000 1.202 301 Y CB -0.778 37.653 38.460 -0.047 0.000 0.990 301 Y HN 0.321 nan 8.280 nan 0.000 0.537 302 G N -0.306 108.529 108.800 0.058 0.000 2.408 302 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 302 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 302 G C 1.567 176.441 174.900 -0.043 0.000 1.150 302 G CA 0.810 45.909 45.100 -0.002 0.000 0.776 302 G HN 0.313 nan 8.290 nan 0.000 0.542 303 L N 0.695 121.850 121.223 -0.113 0.000 2.056 303 L HA 0.090 4.429 4.340 -0.000 0.000 0.207 303 L C 2.741 179.590 176.870 -0.035 0.000 1.078 303 L CA 2.330 57.084 54.840 -0.144 0.000 0.749 303 L CB -0.374 41.506 42.059 -0.299 0.000 0.901 303 L HN 0.260 nan 8.230 nan 0.000 0.433 304 K N -0.568 119.822 120.400 -0.017 0.000 2.032 304 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 304 K C 1.949 178.591 176.600 0.069 0.000 1.048 304 K CA 1.537 57.849 56.287 0.042 0.000 0.927 304 K CB -0.291 32.234 32.500 0.043 0.000 0.712 304 K HN 0.394 nan 8.250 nan 0.000 0.441 305 A N 1.664 124.524 122.820 0.067 0.000 1.930 305 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 305 A C 2.139 179.757 177.584 0.057 0.000 1.175 305 A CA 1.504 53.578 52.037 0.062 0.000 0.627 305 A CB -0.542 18.490 19.000 0.053 0.000 0.815 305 A HN 0.517 nan 8.150 nan 0.000 0.443 306 M N -0.167 119.465 119.600 0.054 0.000 2.132 306 M HA -0.028 4.452 4.480 -0.000 0.000 0.263 306 M C 1.879 178.259 176.300 0.133 0.000 1.065 306 M CA 1.650 57.000 55.300 0.082 0.000 1.122 306 M CB -0.873 31.764 32.600 0.062 0.000 1.365 306 M HN 0.403 nan 8.290 nan 0.000 0.411 307 L N 0.124 121.427 121.223 0.132 0.000 2.046 307 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 307 L C 2.305 179.257 176.870 0.137 0.000 1.077 307 L CA 1.422 56.358 54.840 0.162 0.000 0.747 307 L CB -0.612 41.526 42.059 0.131 0.000 0.896 307 L HN 0.346 nan 8.230 nan 0.000 0.432 308 E N -0.230 120.035 120.200 0.108 0.000 2.107 308 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 308 E C 2.234 178.879 176.600 0.075 0.000 0.982 308 E CA 0.909 57.365 56.400 0.093 0.000 0.809 308 E CB -0.236 29.514 29.700 0.083 0.000 0.756 308 E HN 0.529 nan 8.360 nan 0.000 0.459 309 G N 1.199 110.037 108.800 0.064 0.000 2.408 309 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 309 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 309 G C 1.738 176.656 174.900 0.029 0.000 1.150 309 G CA 1.027 46.144 45.100 0.028 0.000 0.776 309 G HN 0.361 nan 8.290 nan 0.000 0.542 310 S N 0.177 115.944 115.700 0.112 0.000 2.453 310 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 310 S C 1.892 176.652 174.600 0.265 0.000 1.005 310 S CA 1.349 59.671 58.200 0.204 0.000 0.949 310 S CB -0.070 63.385 63.200 0.424 0.000 0.774 310 S HN 0.528 nan 8.310 nan 0.000 0.510 311 E N 0.576 120.884 120.200 0.180 0.000 2.204 311 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 311 E C 1.512 178.177 176.600 0.109 0.000 0.990 311 E CA 1.024 57.516 56.400 0.154 0.000 0.821 311 E CB 0.035 29.805 29.700 0.117 0.000 0.750 311 E HN 0.486 nan 8.360 nan 0.000 0.477 312 V N 0.684 120.633 119.914 0.058 0.000 2.575 312 V HA -0.110 4.010 4.120 -0.000 0.000 0.242 312 V C 1.357 177.430 176.094 -0.035 0.000 1.045 312 V CA 1.359 63.665 62.300 0.010 0.000 1.065 312 V CB -0.112 31.703 31.823 -0.013 0.000 0.717 312 V HN 0.149 nan 8.190 nan 0.000 0.467 313 D N -0.982 119.344 120.400 -0.124 0.000 2.178 313 D HA -0.067 4.573 4.640 -0.000 0.000 0.202 313 D C 0.328 176.499 176.300 -0.215 0.000 0.974 313 D CA 0.972 54.781 54.000 -0.318 0.000 0.841 313 D CB -0.176 40.197 40.800 -0.712 0.000 0.953 313 D HN 0.428 nan 8.370 nan 0.000 0.478 314 Y N 0.062 120.393 120.300 0.051 0.000 2.350 314 Y HA 0.424 4.974 4.550 -0.000 0.000 0.340 314 Y C 1.278 177.207 175.900 0.048 0.000 1.006 314 Y CA -0.807 57.362 58.100 0.115 0.000 1.166 314 Y CB 1.379 39.922 38.460 0.138 0.000 1.168 314 Y HN -0.172 nan 8.280 nan 0.000 0.502 315 A N 2.861 125.797 122.820 0.194 0.000 1.902 315 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 315 A C 0.742 178.358 177.584 0.053 0.000 1.181 315 A CA 1.281 53.367 52.037 0.081 0.000 0.623 315 A CB -0.245 18.789 19.000 0.057 0.000 0.818 315 A HN 0.764 nan 8.150 nan 0.000 0.443 316 Q N -0.940 118.925 119.800 0.107 0.000 2.644 316 Q HA 0.428 4.768 4.340 -0.000 0.000 0.245 316 Q C 0.370 176.423 176.000 0.089 0.000 1.064 316 Q CA -0.124 55.736 55.803 0.095 0.000 0.860 316 Q CB 1.268 30.100 28.738 0.157 0.000 1.145 316 Q HN 0.143 nan 8.270 nan 0.000 0.515 317 V N 1.706 121.674 119.914 0.090 0.000 2.759 317 V HA -0.203 3.916 4.120 -0.000 0.000 0.256 317 V C 0.830 176.900 176.094 -0.039 0.000 1.080 317 V CA 1.642 63.947 62.300 0.008 0.000 1.101 317 V CB 0.075 31.963 31.823 0.109 0.000 0.698 317 V HN 0.710 nan 8.190 nan 0.000 0.477 318 N N 0.417 119.146 118.700 0.048 0.000 2.521 318 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 318 N C 0.881 176.398 175.510 0.011 0.000 1.146 318 N CA 0.781 53.851 53.050 0.032 0.000 0.893 318 N CB -0.083 38.483 38.487 0.131 0.000 0.975 318 N HN 0.523 nan 8.380 nan 0.000 0.451 319 D N -0.087 120.333 120.400 0.033 0.000 2.369 319 D HA 0.043 4.683 4.640 -0.000 0.000 0.211 319 D C 0.029 176.345 176.300 0.028 0.000 1.077 319 D CA 0.225 54.289 54.000 0.106 0.000 0.842 319 D CB 0.404 41.320 40.800 0.193 0.000 0.947 319 D HN 0.082 nan 8.370 nan 0.000 0.509 320 Q N 0.583 120.291 119.800 -0.153 0.000 2.261 320 Q HA 0.274 4.614 4.340 -0.000 0.000 0.252 320 Q C -0.055 175.819 176.000 -0.211 0.000 0.915 320 Q CA -0.430 55.225 55.803 -0.247 0.000 0.915 320 Q CB 2.123 30.549 28.738 -0.521 0.000 1.204 320 Q HN -0.120 nan 8.270 nan 0.000 0.421 321 V N 3.113 122.911 119.914 -0.193 0.000 2.406 321 V HA 0.308 4.428 4.120 -0.000 0.000 0.272 321 V C 0.526 176.610 176.094 -0.017 0.000 1.043 321 V CA -0.392 61.788 62.300 -0.201 0.000 0.915 321 V CB 0.921 32.446 31.823 -0.497 0.000 0.988 321 V HN 0.906 nan 8.190 nan 0.000 0.466 322 T N 2.699 117.191 114.554 -0.104 0.000 2.944 322 T HA 0.912 5.262 4.350 -0.000 0.000 0.284 322 T C -0.676 174.138 174.700 0.189 0.000 1.010 322 T CA -0.586 61.389 62.100 -0.209 0.000 1.025 322 T CB 1.885 70.171 68.868 -0.969 0.000 1.079 322 T HN 0.663 nan 8.240 nan 0.000 0.516 323 F N -1.331 118.670 119.950 0.084 0.000 2.807 323 F HA 0.538 5.065 4.527 0.000 0.000 0.316 323 F C 0.000 175.954 175.800 0.256 0.000 1.162 323 F CA -1.399 56.692 58.000 0.152 0.000 0.910 323 F CB 0.801 39.879 39.000 0.131 0.000 1.314 323 F HN 0.560 nan 8.300 nan 0.000 0.454 324 I N -1.764 118.970 120.570 0.273 0.000 4.181 324 I HA 0.449 4.619 4.170 -0.000 0.000 0.331 324 I C -0.897 175.463 176.117 0.405 0.000 1.312 324 I CA 0.036 61.480 61.300 0.240 0.000 1.146 324 I CB 0.446 38.493 38.000 0.078 0.000 1.074 324 I HN 0.627 nan 8.210 nan 0.000 0.402 325 D N 0.781 121.476 120.400 0.491 0.000 2.692 325 D HA 0.410 5.050 4.640 -0.000 0.000 0.290 325 D C -1.100 175.324 176.300 0.206 0.000 1.281 325 D CA -0.661 53.588 54.000 0.415 0.000 0.804 325 D CB 0.716 41.721 40.800 0.341 0.000 1.331 325 D HN 0.428 nan 8.370 nan 0.000 0.432 326 N N -2.774 115.814 118.700 -0.188 0.000 3.441 326 N HA 0.102 4.842 4.740 -0.000 0.000 0.313 326 N C 0.643 175.622 175.510 -0.886 0.000 1.526 326 N CA -0.810 51.781 53.050 -0.765 0.000 0.871 326 N CB 0.602 38.831 38.487 -0.431 0.000 1.779 326 N HN 0.512 nan 8.380 nan 0.000 0.529 327 H N -1.033 117.640 119.070 -0.662 0.000 2.518 327 H HA 0.019 4.575 4.556 -0.000 0.000 0.292 327 H C -0.370 174.971 175.328 0.022 0.000 1.068 327 H CA 1.207 57.175 56.048 -0.133 0.000 1.275 327 H CB -0.380 29.581 29.762 0.332 0.000 1.375 327 H HN 0.504 nan 8.280 nan 0.000 0.563 328 D N 0.238 120.359 120.400 -0.465 0.000 2.424 328 D HA 0.291 4.931 4.640 -0.000 0.000 0.220 328 D C 0.090 176.407 176.300 0.028 0.000 1.150 328 D CA 0.044 53.932 54.000 -0.187 0.000 0.831 328 D CB 0.475 41.178 40.800 -0.161 0.000 0.981 328 D HN 0.348 nan 8.370 nan 0.000 0.500 329 M N 0.079 119.706 119.600 0.044 0.000 2.531 329 M HA 0.240 4.720 4.480 -0.000 0.000 0.286 329 M C -0.459 175.900 176.300 0.100 0.000 1.232 329 M CA -0.777 54.608 55.300 0.142 0.000 0.877 329 M CB 3.032 35.784 32.600 0.254 0.000 1.726 329 M HN -0.272 nan 8.290 nan 0.000 0.463 330 E N 2.004 122.266 120.200 0.102 0.000 2.437 330 E HA 0.090 4.440 4.350 -0.000 0.000 0.263 330 E C -0.454 176.225 176.600 0.131 0.000 1.030 330 E CA -0.013 56.439 56.400 0.087 0.000 0.934 330 E CB 0.557 30.290 29.700 0.055 0.000 0.943 330 E HN 0.326 nan 8.360 nan 0.000 0.444 331 R N 1.691 122.277 120.500 0.144 0.000 2.698 331 R HA -0.062 4.278 4.340 -0.000 0.000 0.266 331 R C 0.930 177.369 176.300 0.233 0.000 1.026 331 R CA 0.202 56.430 56.100 0.213 0.000 1.102 331 R CB 0.157 30.567 30.300 0.183 0.000 0.978 331 R HN 0.643 nan 8.270 nan 0.000 0.436 332 F N 2.034 122.080 119.950 0.160 0.000 2.146 332 F HA -0.127 4.399 4.527 -0.000 0.000 0.298 332 F C 1.482 177.378 175.800 0.160 0.000 1.096 332 F CA 1.154 59.247 58.000 0.156 0.000 1.275 332 F CB -0.031 39.071 39.000 0.170 0.000 1.008 332 F HN 0.484 nan 8.300 nan 0.000 0.480 333 H N 1.568 120.878 119.070 0.399 0.000 2.848 333 H HA 0.157 4.713 4.556 -0.000 0.000 0.317 333 H C -0.274 175.139 175.328 0.141 0.000 1.046 333 H CA 0.436 56.661 56.048 0.294 0.000 1.470 333 H CB 0.620 30.564 29.762 0.303 0.000 1.483 333 H HN 0.258 nan 8.280 nan 0.000 0.548 334 T N 0.892 115.169 114.554 -0.462 0.000 2.937 334 T HA 0.159 4.509 4.350 -0.000 0.000 0.283 334 T C 1.517 175.960 174.700 -0.430 0.000 1.012 334 T CA -0.301 61.602 62.100 -0.328 0.000 0.997 334 T CB 1.210 69.968 68.868 -0.182 0.000 1.136 334 T HN 0.581 nan 8.240 nan 0.000 0.551 335 S N 1.144 116.724 115.700 -0.199 0.000 2.382 335 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 335 S C 1.415 175.964 174.600 -0.084 0.000 1.027 335 S CA 1.047 59.179 58.200 -0.115 0.000 0.991 335 S CB -0.764 62.403 63.200 -0.055 0.000 0.823 335 S HN 0.911 nan 8.310 nan 0.000 0.469 336 N N 1.788 120.438 118.700 -0.083 0.000 2.238 336 N HA 0.225 4.965 4.740 -0.000 0.000 0.222 336 N C 0.256 175.746 175.510 -0.034 0.000 1.133 336 N CA 0.109 53.134 53.050 -0.042 0.000 0.854 336 N CB -0.169 38.300 38.487 -0.031 0.000 1.041 336 N HN 0.394 nan 8.380 nan 0.000 0.510 337 G N -0.222 108.533 108.800 -0.075 0.000 2.356 337 G HA2 0.133 4.093 3.960 -0.000 0.000 0.298 337 G HA3 0.133 4.093 3.960 -0.000 0.000 0.298 337 G C -0.671 174.304 174.900 0.124 0.000 1.145 337 G CA -0.384 44.712 45.100 -0.006 0.000 0.850 337 G HN 0.152 nan 8.290 nan 0.000 0.487 338 D N 1.055 121.538 120.400 0.138 0.000 2.425 338 D HA 0.030 4.670 4.640 -0.000 0.000 0.247 338 D C 1.500 177.943 176.300 0.239 0.000 1.147 338 D CA -0.135 53.957 54.000 0.154 0.000 0.879 338 D CB 0.925 41.794 40.800 0.115 0.000 1.179 338 D HN 0.386 nan 8.370 nan 0.000 0.456 339 R N 2.528 123.139 120.500 0.185 0.000 2.152 339 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 339 R C 1.877 178.302 176.300 0.207 0.000 1.117 339 R CA 0.750 56.948 56.100 0.164 0.000 0.981 339 R CB 0.033 30.262 30.300 -0.119 0.000 0.870 339 R HN 0.264 nan 8.270 nan 0.000 0.451 340 R N 1.706 122.295 120.500 0.150 0.000 2.127 340 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 340 R C 1.543 177.937 176.300 0.157 0.000 1.134 340 R CA 1.558 57.736 56.100 0.130 0.000 0.975 340 R CB -0.115 30.245 30.300 0.099 0.000 0.865 340 R HN 0.100 nan 8.270 nan 0.000 0.447 341 K N -0.143 120.396 120.400 0.233 0.000 2.057 341 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 341 K C 1.952 178.747 176.600 0.325 0.000 1.049 341 K CA 1.545 58.027 56.287 0.325 0.000 0.931 341 K CB -0.387 32.353 32.500 0.400 0.000 0.714 341 K HN 0.188 nan 8.250 nan 0.000 0.440 342 L N 1.930 123.348 121.223 0.325 0.000 2.056 342 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 342 L C 1.905 178.706 176.870 -0.115 0.000 1.078 342 L CA 1.692 56.551 54.840 0.033 0.000 0.749 342 L CB -0.237 41.933 42.059 0.186 0.000 0.901 342 L HN 0.101 nan 8.230 nan 0.000 0.433 343 E N -0.702 119.507 120.200 0.015 0.000 2.085 343 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 343 E C 2.191 178.738 176.600 -0.087 0.000 0.994 343 E CA 1.676 58.063 56.400 -0.021 0.000 0.801 343 E CB -0.185 29.548 29.700 0.055 0.000 0.743 343 E HN 0.654 nan 8.360 nan 0.000 0.453 344 Q N -0.003 119.738 119.800 -0.099 0.000 2.079 344 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 344 Q C 2.241 177.991 176.000 -0.416 0.000 0.974 344 Q CA 1.169 56.853 55.803 -0.199 0.000 0.840 344 Q CB -0.097 28.535 28.738 -0.176 0.000 0.898 344 Q HN 0.247 nan 8.270 nan 0.000 0.430 345 A N 0.707 123.221 122.820 -0.511 0.000 1.969 345 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 345 A C 2.019 179.433 177.584 -0.282 0.000 1.169 345 A CA 0.901 52.576 52.037 -0.603 0.000 0.635 345 A CB -0.495 18.080 19.000 -0.708 0.000 0.810 345 A HN 0.263 nan 8.150 nan 0.000 0.445 346 L N -0.934 120.137 121.223 -0.253 0.000 2.056 346 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 346 L C 3.121 179.944 176.870 -0.078 0.000 1.078 346 L CA 0.984 55.742 54.840 -0.137 0.000 0.749 346 L CB -0.538 41.439 42.059 -0.136 0.000 0.901 346 L HN 0.435 nan 8.230 nan 0.000 0.433 347 A N 0.014 122.784 122.820 -0.084 0.000 1.877 347 A HA -0.289 4.031 4.320 -0.000 0.000 0.216 347 A C 2.176 179.780 177.584 0.033 0.000 1.186 347 A CA 1.681 53.692 52.037 -0.043 0.000 0.620 347 A CB -0.935 18.032 19.000 -0.054 0.000 0.822 347 A HN 0.391 nan 8.150 nan 0.000 0.443 348 F N 1.565 121.451 119.950 -0.106 0.000 2.091 348 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 348 F C 2.468 178.350 175.800 0.137 0.000 1.103 348 F CA 2.456 60.478 58.000 0.037 0.000 1.228 348 F CB -0.826 38.077 39.000 -0.161 0.000 0.984 348 F HN 0.222 nan 8.300 nan 0.000 0.477 349 T N 1.393 115.961 114.554 0.022 0.000 2.777 349 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 349 T C 2.162 176.802 174.700 -0.100 0.000 1.040 349 T CA 1.665 63.773 62.100 0.012 0.000 1.141 349 T CB -0.548 68.397 68.868 0.128 0.000 0.868 349 T HN 0.254 nan 8.240 nan 0.000 0.444 350 L N 1.358 122.542 121.223 -0.066 0.000 2.201 350 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 350 L C 2.657 179.474 176.870 -0.087 0.000 1.105 350 L CA 1.340 56.132 54.840 -0.079 0.000 0.775 350 L CB -0.758 41.261 42.059 -0.066 0.000 0.913 350 L HN 0.439 nan 8.230 nan 0.000 0.440 351 T N -5.467 109.052 114.554 -0.059 0.000 3.086 351 T HA 0.173 4.523 4.350 -0.000 0.000 0.250 351 T C 0.808 175.511 174.700 0.004 0.000 1.074 351 T CA -0.282 61.812 62.100 -0.009 0.000 0.988 351 T CB 0.241 69.140 68.868 0.052 0.000 0.988 351 T HN 0.002 nan 8.240 nan 0.000 0.530 352 S N 2.233 117.842 115.700 -0.150 0.000 2.707 352 S HA 0.583 5.053 4.470 -0.000 0.000 0.276 352 S C 0.440 174.918 174.600 -0.204 0.000 1.179 352 S CA -1.070 56.996 58.200 -0.224 0.000 0.992 352 S CB 0.837 63.790 63.200 -0.412 0.000 1.030 352 S HN 0.610 nan 8.310 nan 0.000 0.554 353 R N 0.608 121.005 120.500 -0.170 0.000 2.738 353 R HA 0.608 4.948 4.340 -0.000 0.000 0.268 353 R C 0.566 176.718 176.300 -0.246 0.000 1.062 353 R CA 0.421 56.431 56.100 -0.151 0.000 1.158 353 R CB -1.258 29.006 30.300 -0.061 0.000 1.046 353 R HN 0.952 nan 8.270 nan 0.000 0.493 354 G N -0.322 108.354 108.800 -0.208 0.000 2.428 354 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.202 354 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.202 354 G C -1.568 173.195 174.900 -0.228 0.000 1.247 354 G CA -0.347 44.610 45.100 -0.239 0.000 1.020 354 G HN 0.659 nan 8.290 nan 0.000 0.529 355 V N 3.044 122.823 119.914 -0.224 0.000 2.349 355 V HA 0.543 4.663 4.120 -0.000 0.000 0.284 355 V C -1.910 174.091 176.094 -0.155 0.000 1.014 355 V CA -0.911 61.275 62.300 -0.190 0.000 0.826 355 V CB 1.808 33.509 31.823 -0.204 0.000 1.009 355 V HN 0.694 nan 8.190 nan 0.000 0.431 356 P HA 0.388 nan 4.420 nan 0.000 0.276 356 P C -0.763 176.572 177.300 0.058 0.000 1.230 356 P CA -0.077 62.988 63.100 -0.059 0.000 0.776 356 P CB 1.661 33.318 31.700 -0.073 0.000 0.888 357 A N 4.669 127.583 122.820 0.158 0.000 2.330 357 A HA 0.643 4.963 4.320 -0.000 0.000 0.313 357 A C -0.356 177.388 177.584 0.266 0.000 1.124 357 A CA -0.844 51.356 52.037 0.272 0.000 0.774 357 A CB 0.563 19.813 19.000 0.417 0.000 1.198 357 A HN 0.475 nan 8.150 nan 0.000 0.465 358 I N 2.503 123.208 120.570 0.226 0.000 2.354 358 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 358 I C -0.707 175.474 176.117 0.107 0.000 0.989 358 I CA -0.665 60.740 61.300 0.175 0.000 1.188 358 I CB 1.278 39.381 38.000 0.171 0.000 1.342 358 I HN 0.715 nan 8.210 nan 0.000 0.457 359 Y N 8.281 128.556 120.300 -0.041 0.000 2.359 359 Y HA 0.125 4.674 4.550 -0.000 0.000 0.330 359 Y C -0.015 175.721 175.900 -0.273 0.000 1.143 359 Y CA -1.046 56.983 58.100 -0.119 0.000 1.318 359 Y CB 0.256 38.703 38.460 -0.021 0.000 1.234 359 Y HN 0.438 nan 8.280 nan 0.000 0.522 360 Y N 3.354 123.210 120.300 -0.739 0.000 2.805 360 Y HA 0.340 4.890 4.550 -0.000 0.000 0.337 360 Y C 1.133 176.840 175.900 -0.322 0.000 1.252 360 Y CA -0.523 57.160 58.100 -0.694 0.000 1.515 360 Y CB -0.034 38.171 38.460 -0.425 0.000 1.305 360 Y HN 0.902 nan 8.280 nan 0.000 0.600 361 G N 1.338 110.079 108.800 -0.098 0.000 2.225 361 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.254 361 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.254 361 G C 1.233 176.045 174.900 -0.146 0.000 0.988 361 G CA 0.556 45.551 45.100 -0.175 0.000 0.625 361 G HN 0.787 nan 8.290 nan 0.000 0.527 362 S N 1.260 116.881 115.700 -0.132 0.000 2.365 362 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 362 S C 2.111 176.590 174.600 -0.202 0.000 1.039 362 S CA 1.966 60.105 58.200 -0.102 0.000 1.033 362 S CB -0.287 62.890 63.200 -0.038 0.000 0.887 362 S HN 0.903 nan 8.310 nan 0.000 0.447 363 E N 0.832 120.976 120.200 -0.093 0.000 2.463 363 E HA -0.143 4.207 4.350 -0.000 0.000 0.201 363 E C 0.770 177.265 176.600 -0.175 0.000 1.045 363 E CA 0.809 57.131 56.400 -0.129 0.000 0.872 363 E CB -0.208 29.558 29.700 0.111 0.000 0.797 363 E HN 0.438 nan 8.360 nan 0.000 0.538 364 Q N -0.278 119.451 119.800 -0.118 0.000 2.179 364 Q HA 0.087 4.427 4.340 -0.000 0.000 0.213 364 Q C -0.542 175.509 176.000 0.085 0.000 0.833 364 Q CA -0.451 55.363 55.803 0.017 0.000 0.990 364 Q CB -0.165 28.590 28.738 0.029 0.000 1.132 364 Q HN 0.340 nan 8.270 nan 0.000 0.493 365 Y N -0.932 119.344 120.300 -0.039 0.000 3.389 365 Y HA -0.279 4.271 4.550 -0.000 0.000 0.213 365 Y C 0.316 176.242 175.900 0.043 0.000 1.272 365 Y CA 0.160 58.192 58.100 -0.112 0.000 1.444 365 Y CB -2.501 35.786 38.460 -0.289 0.000 1.445 365 Y HN 0.210 nan 8.280 nan 0.000 0.583 366 M N 0.484 120.146 119.600 0.102 0.000 2.239 366 M HA 0.167 4.647 4.480 -0.000 0.000 0.348 366 M C 0.620 177.026 176.300 0.178 0.000 1.239 366 M CA 0.837 56.188 55.300 0.086 0.000 1.114 366 M CB 0.497 33.058 32.600 -0.065 0.000 1.641 366 M HN 0.275 nan 8.290 nan 0.000 0.453 367 S N 1.175 116.971 115.700 0.160 0.000 2.638 367 S HA 0.950 5.420 4.470 -0.000 0.000 0.298 367 S C -0.026 174.609 174.600 0.058 0.000 1.111 367 S CA -0.788 57.482 58.200 0.118 0.000 1.027 367 S CB 2.073 65.313 63.200 0.067 0.000 1.064 367 S HN 0.953 nan 8.310 nan 0.000 0.525 368 G N -0.474 108.352 108.800 0.044 0.000 2.402 368 G HA2 0.495 4.455 3.960 -0.000 0.000 0.301 368 G HA3 0.495 4.455 3.960 -0.000 0.000 0.301 368 G C -0.396 174.523 174.900 0.032 0.000 1.615 368 G CA -0.341 44.777 45.100 0.029 0.000 0.889 368 G HN 0.883 nan 8.290 nan 0.000 0.647 369 G N 0.011 108.821 108.800 0.017 0.000 2.509 369 G HA2 0.490 4.450 3.960 -0.000 0.000 0.269 369 G HA3 0.490 4.450 3.960 -0.000 0.000 0.269 369 G C 0.323 175.236 174.900 0.021 0.000 1.416 369 G CA -0.670 44.439 45.100 0.015 0.000 1.052 369 G HN 0.698 nan 8.290 nan 0.000 0.542 370 N N 0.363 119.069 118.700 0.011 0.000 2.297 370 N HA 0.015 4.755 4.740 -0.000 0.000 0.232 370 N C 0.042 175.552 175.510 0.000 0.000 1.311 370 N CA -0.155 52.898 53.050 0.004 0.000 0.897 370 N CB 0.320 38.797 38.487 -0.017 0.000 1.137 370 N HN 0.500 nan 8.380 nan 0.000 0.449 371 D N 0.865 121.264 120.400 -0.001 0.000 2.772 371 D HA -0.086 4.553 4.640 -0.000 0.000 0.227 371 D C -1.580 174.725 176.300 0.008 0.000 1.114 371 D CA -0.428 53.580 54.000 0.013 0.000 0.832 371 D CB 0.484 41.292 40.800 0.014 0.000 1.154 371 D HN 0.318 nan 8.370 nan 0.000 0.514 372 P HA 0.142 nan 4.420 nan 0.000 0.266 372 P C -0.014 177.275 177.300 -0.018 0.000 1.381 372 P CA -0.131 62.979 63.100 0.017 0.000 0.940 372 P CB 0.518 32.230 31.700 0.020 0.000 1.435 373 D N 1.217 121.611 120.400 -0.010 0.000 2.348 373 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 373 D C 1.095 177.397 176.300 0.003 0.000 0.970 373 D CA 0.800 54.792 54.000 -0.012 0.000 0.889 373 D CB -0.176 40.620 40.800 -0.006 0.000 0.912 373 D HN 0.373 nan 8.370 nan 0.000 0.524 374 N N 0.245 118.961 118.700 0.026 0.000 2.336 374 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 374 N C 0.551 176.108 175.510 0.079 0.000 1.113 374 N CA 0.009 53.108 53.050 0.080 0.000 0.858 374 N CB -0.062 38.501 38.487 0.126 0.000 0.970 374 N HN 0.037 nan 8.380 nan 0.000 0.471 375 R N 0.111 120.607 120.500 -0.006 0.000 2.767 375 R HA 0.450 4.790 4.340 -0.000 0.000 0.377 375 R C -0.118 176.186 176.300 0.008 0.000 1.151 375 R CA -0.338 55.738 56.100 -0.040 0.000 1.046 375 R CB 0.784 30.942 30.300 -0.238 0.000 1.404 375 R HN 0.142 nan 8.270 nan 0.000 0.580 376 A N 1.403 124.225 122.820 0.003 0.000 2.386 376 A HA 0.181 4.501 4.320 -0.000 0.000 0.246 376 A C 0.187 177.817 177.584 0.076 0.000 1.089 376 A CA -0.340 51.694 52.037 -0.005 0.000 0.790 376 A CB 0.295 19.277 19.000 -0.029 0.000 1.042 376 A HN 0.439 nan 8.150 nan 0.000 0.497 377 R N 1.244 121.765 120.500 0.035 0.000 2.543 377 R HA 0.226 4.566 4.340 -0.000 0.000 0.277 377 R C -0.435 175.888 176.300 0.039 0.000 1.074 377 R CA -0.406 55.734 56.100 0.066 0.000 1.076 377 R CB 0.150 30.452 30.300 0.004 0.000 0.993 377 R HN 0.728 nan 8.270 nan 0.000 0.459 378 L N 7.046 128.309 121.223 0.066 0.000 2.628 378 L HA 0.019 4.359 4.340 -0.000 0.000 0.274 378 L C -1.131 175.583 176.870 -0.259 0.000 1.209 378 L CA -0.878 53.898 54.840 -0.106 0.000 0.930 378 L CB 1.065 42.967 42.059 -0.261 0.000 1.183 378 L HN 0.741 nan 8.230 nan 0.000 0.492 379 P HA -0.026 nan 4.420 nan 0.000 0.227 379 P C 0.119 177.287 177.300 -0.220 0.000 1.161 379 P CA 0.427 63.426 63.100 -0.169 0.000 0.788 379 P CB 0.581 32.227 31.700 -0.090 0.000 0.822 380 S N -1.464 114.021 115.700 -0.358 0.000 2.547 380 S HA 0.524 4.994 4.470 -0.000 0.000 0.270 380 S C -1.463 172.821 174.600 -0.526 0.000 1.150 380 S CA -0.564 57.460 58.200 -0.293 0.000 0.850 380 S CB 0.356 63.490 63.200 -0.110 0.000 1.118 380 S HN -0.175 nan 8.310 nan 0.000 0.461 381 F N 2.374 122.195 119.950 -0.215 0.000 2.908 381 F HA 0.393 4.920 4.527 -0.000 0.000 0.328 381 F C 1.068 176.812 175.800 -0.093 0.000 1.211 381 F CA -0.364 57.378 58.000 -0.430 0.000 1.291 381 F CB 0.821 39.425 39.000 -0.660 0.000 0.962 381 F HN 0.505 nan 8.300 nan 0.000 0.505 382 S N 0.565 116.326 115.700 0.102 0.000 2.533 382 S HA 0.072 4.541 4.470 -0.000 0.000 0.282 382 S C 1.325 175.917 174.600 -0.014 0.000 1.304 382 S CA 0.215 58.449 58.200 0.057 0.000 1.063 382 S CB 0.427 63.649 63.200 0.036 0.000 0.881 382 S HN 0.500 nan 8.310 nan 0.000 0.493 383 T N 0.667 115.092 114.554 -0.215 0.000 3.145 383 T HA 0.150 4.500 4.350 -0.000 0.000 0.255 383 T C 0.912 175.269 174.700 -0.572 0.000 1.039 383 T CA 0.282 61.889 62.100 -0.823 0.000 0.928 383 T CB -0.399 68.108 68.868 -0.602 0.000 1.029 383 T HN 0.676 nan 8.240 nan 0.000 0.554 384 T N -0.792 113.639 114.554 -0.206 0.000 3.200 384 T HA 0.248 4.598 4.350 -0.000 0.000 0.284 384 T C 0.699 175.422 174.700 0.038 0.000 1.009 384 T CA -0.164 61.898 62.100 -0.064 0.000 0.907 384 T CB -0.315 68.533 68.868 -0.033 0.000 1.120 384 T HN 0.491 nan 8.240 nan 0.000 0.534 385 T N -0.558 114.053 114.554 0.095 0.000 2.860 385 T HA 0.220 4.570 4.350 -0.000 0.000 0.299 385 T C 1.423 176.250 174.700 0.212 0.000 1.045 385 T CA -0.126 62.095 62.100 0.203 0.000 1.071 385 T CB 0.938 69.985 68.868 0.298 0.000 0.985 385 T HN 0.062 nan 8.240 nan 0.000 0.537 386 T N 1.570 116.265 114.554 0.234 0.000 2.788 386 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 386 T C 2.375 177.167 174.700 0.154 0.000 1.044 386 T CA 1.232 63.439 62.100 0.178 0.000 1.139 386 T CB -0.718 68.252 68.868 0.169 0.000 0.867 386 T HN 0.811 nan 8.240 nan 0.000 0.454 387 A N 0.307 123.215 122.820 0.147 0.000 1.933 387 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 387 A C 2.057 179.646 177.584 0.010 0.000 1.175 387 A CA 1.308 53.317 52.037 -0.047 0.000 0.628 387 A CB -0.956 17.797 19.000 -0.412 0.000 0.814 387 A HN 0.610 nan 8.150 nan 0.000 0.444 388 Y N 0.440 120.715 120.300 -0.041 0.000 2.200 388 Y HA -0.232 4.318 4.550 -0.000 0.000 0.290 388 Y C 2.629 178.506 175.900 -0.038 0.000 1.137 388 Y CA 2.213 60.289 58.100 -0.039 0.000 1.163 388 Y CB -0.142 38.314 38.460 -0.007 0.000 0.988 388 Y HN 0.408 nan 8.280 nan 0.000 0.518 389 Q N -0.885 119.037 119.800 0.203 0.000 2.124 389 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 389 Q C 2.325 178.330 176.000 0.010 0.000 0.977 389 Q CA 1.767 57.636 55.803 0.110 0.000 0.850 389 Q CB -0.299 28.500 28.738 0.101 0.000 0.901 389 Q HN 0.392 nan 8.270 nan 0.000 0.429 390 V N 1.249 121.160 119.914 -0.005 0.000 2.287 390 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 390 V C 2.168 178.214 176.094 -0.080 0.000 1.053 390 V CA 1.749 64.024 62.300 -0.042 0.000 1.027 390 V CB -0.455 31.344 31.823 -0.040 0.000 0.646 390 V HN 0.318 nan 8.190 nan 0.000 0.447 391 I N -0.338 120.161 120.570 -0.119 0.000 2.252 391 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 391 I C 2.640 178.651 176.117 -0.177 0.000 1.102 391 I CA 1.740 62.948 61.300 -0.153 0.000 1.385 391 I CB -0.458 37.423 38.000 -0.198 0.000 1.064 391 I HN 0.377 nan 8.210 nan 0.000 0.414 392 Q N 1.594 121.266 119.800 -0.213 0.000 2.135 392 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 392 Q C 2.034 177.977 176.000 -0.094 0.000 0.981 392 Q CA 1.751 57.453 55.803 -0.170 0.000 0.856 392 Q CB 0.092 28.765 28.738 -0.110 0.000 0.902 392 Q HN 0.468 nan 8.270 nan 0.000 0.425 393 K N -0.380 119.977 120.400 -0.072 0.000 2.186 393 K HA 0.029 4.349 4.320 -0.000 0.000 0.202 393 K C 2.002 178.560 176.600 -0.070 0.000 1.052 393 K CA 0.721 56.974 56.287 -0.058 0.000 0.965 393 K CB 0.245 32.717 32.500 -0.047 0.000 0.746 393 K HN 0.242 nan 8.250 nan 0.000 0.457 394 L N -0.136 121.039 121.223 -0.081 0.000 2.298 394 L HA 0.112 4.452 4.340 -0.000 0.000 0.209 394 L C 2.443 179.260 176.870 -0.088 0.000 1.084 394 L CA 0.349 55.139 54.840 -0.082 0.000 0.816 394 L CB -0.348 41.662 42.059 -0.082 0.000 0.967 394 L HN 0.092 nan 8.230 nan 0.000 0.460 395 A N 1.052 123.814 122.820 -0.096 0.000 1.978 395 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 395 A C -0.185 177.340 177.584 -0.099 0.000 1.170 395 A CA 1.452 53.431 52.037 -0.098 0.000 0.636 395 A CB -1.614 17.323 19.000 -0.104 0.000 0.810 395 A HN 0.265 nan 8.150 nan 0.000 0.448 396 P HA -0.120 nan 4.420 nan 0.000 0.219 396 P C 1.186 178.432 177.300 -0.090 0.000 1.146 396 P CA 0.722 63.770 63.100 -0.086 0.000 0.808 396 P CB -0.146 31.512 31.700 -0.071 0.000 0.779 397 L N -1.312 119.858 121.223 -0.088 0.000 2.362 397 L HA -0.093 4.247 4.340 -0.000 0.000 0.219 397 L C 2.489 179.288 176.870 -0.118 0.000 1.134 397 L CA 0.966 55.754 54.840 -0.088 0.000 0.807 397 L CB -0.588 41.425 42.059 -0.076 0.000 0.927 397 L HN -0.023 nan 8.230 nan 0.000 0.447 398 R N 0.267 120.685 120.500 -0.138 0.000 2.115 398 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 398 R C 2.077 178.253 176.300 -0.206 0.000 1.111 398 R CA 0.841 56.828 56.100 -0.189 0.000 0.976 398 R CB -0.017 30.172 30.300 -0.185 0.000 0.870 398 R HN 0.299 nan 8.270 nan 0.000 0.445 399 K N 0.006 120.311 120.400 -0.159 0.000 2.137 399 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 399 K C 2.025 178.552 176.600 -0.122 0.000 1.052 399 K CA 1.289 57.487 56.287 -0.147 0.000 0.961 399 K CB 0.039 32.467 32.500 -0.121 0.000 0.741 399 K HN 0.159 nan 8.250 nan 0.000 0.452 400 S N 0.300 115.938 115.700 -0.104 0.000 2.486 400 S HA 0.050 4.520 4.470 -0.000 0.000 0.220 400 S C 0.756 175.310 174.600 -0.076 0.000 1.011 400 S CA -0.088 58.064 58.200 -0.081 0.000 0.921 400 S CB -0.038 63.121 63.200 -0.067 0.000 0.785 400 S HN 0.047 nan 8.310 nan 0.000 0.517 401 N N 2.372 121.018 118.700 -0.089 0.000 2.569 401 N HA 0.363 5.103 4.740 -0.000 0.000 0.254 401 N C -2.239 173.216 175.510 -0.093 0.000 1.004 401 N CA -2.251 50.759 53.050 -0.066 0.000 0.904 401 N CB 1.949 40.406 38.487 -0.051 0.000 1.165 401 N HN -0.002 nan 8.380 nan 0.000 0.513 402 P HA -0.121 nan 4.420 nan 0.000 0.221 402 P C 0.911 178.160 177.300 -0.086 0.000 1.145 402 P CA 0.748 63.804 63.100 -0.073 0.000 0.795 402 P CB 0.397 32.206 31.700 0.182 0.000 0.775 403 A N 0.140 123.000 122.820 0.066 0.000 1.933 403 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 403 A C 2.355 179.939 177.584 -0.000 0.000 1.175 403 A CA 1.176 53.285 52.037 0.120 0.000 0.628 403 A CB -1.351 17.737 19.000 0.146 0.000 0.814 403 A HN 0.135 nan 8.150 nan 0.000 0.444 404 I N -0.598 119.930 120.570 -0.069 0.000 2.233 404 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 404 I C 2.957 178.933 176.117 -0.235 0.000 1.093 404 I CA 0.968 62.203 61.300 -0.108 0.000 1.380 404 I CB -0.359 37.579 38.000 -0.104 0.000 1.067 404 I HN 0.352 nan 8.210 nan 0.000 0.413 405 A N 0.056 122.631 122.820 -0.409 0.000 1.930 405 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 405 A C 1.741 178.852 177.584 -0.789 0.000 1.175 405 A CA 1.663 53.274 52.037 -0.710 0.000 0.627 405 A CB -0.551 17.775 19.000 -1.125 0.000 0.815 405 A HN 0.564 nan 8.150 nan 0.000 0.443 406 Y N -1.595 118.479 120.300 -0.376 0.000 2.448 406 Y HA 0.335 4.885 4.550 -0.000 0.000 0.257 406 Y C 1.612 177.380 175.900 -0.220 0.000 1.089 406 Y CA -0.545 57.289 58.100 -0.442 0.000 1.245 406 Y CB 0.035 37.879 38.460 -1.026 0.000 1.282 406 Y HN 0.296 nan 8.280 nan 0.000 0.529 407 G N 1.083 109.907 108.800 0.040 0.000 2.634 407 G HA2 0.320 4.280 3.960 -0.000 0.000 0.255 407 G HA3 0.320 4.280 3.960 -0.000 0.000 0.255 407 G C 0.199 175.215 174.900 0.193 0.000 1.205 407 G CA -0.169 45.069 45.100 0.230 0.000 0.884 407 G HN 0.209 nan 8.290 nan 0.000 0.549 408 S N -0.926 114.909 115.700 0.226 0.000 2.596 408 S HA 0.485 4.955 4.470 -0.000 0.000 0.260 408 S C 0.057 174.772 174.600 0.191 0.000 1.336 408 S CA -0.256 58.054 58.200 0.184 0.000 0.993 408 S CB 1.217 64.518 63.200 0.169 0.000 0.923 408 S HN 0.558 nan 8.310 nan 0.000 0.567 409 T N 1.301 115.965 114.554 0.184 0.000 2.812 409 T HA 0.428 4.778 4.350 -0.000 0.000 0.282 409 T C -0.915 173.949 174.700 0.272 0.000 0.990 409 T CA -0.408 61.821 62.100 0.213 0.000 0.960 409 T CB 0.600 69.546 68.868 0.128 0.000 0.948 409 T HN 0.819 nan 8.240 nan 0.000 0.438 410 H N 2.155 121.342 119.070 0.196 0.000 2.840 410 H HA 0.291 4.847 4.556 -0.000 0.000 0.340 410 H C -0.762 174.695 175.328 0.215 0.000 1.004 410 H CA -0.634 55.518 56.048 0.173 0.000 1.288 410 H CB 1.196 31.048 29.762 0.151 0.000 1.607 410 H HN 0.492 nan 8.280 nan 0.000 0.522 411 E N 4.822 125.211 120.200 0.316 0.000 2.257 411 E HA 0.029 4.379 4.350 -0.000 0.000 0.278 411 E C 0.059 176.687 176.600 0.048 0.000 1.049 411 E CA -0.288 56.233 56.400 0.201 0.000 0.876 411 E CB 0.629 30.440 29.700 0.186 0.000 1.035 411 E HN 0.707 nan 8.360 nan 0.000 0.419 412 R N 3.354 123.865 120.500 0.018 0.000 2.254 412 R HA 0.124 4.464 4.340 -0.000 0.000 0.193 412 R C -0.164 176.255 176.300 0.197 0.000 0.929 412 R CA 0.272 56.369 56.100 -0.005 0.000 1.038 412 R CB 0.284 30.575 30.300 -0.015 0.000 1.009 412 R HN 0.578 nan 8.270 nan 0.000 0.512 413 W N -0.360 120.951 121.300 0.019 0.000 3.363 413 W HA 0.566 5.226 4.660 0.000 0.000 0.306 413 W C -1.686 174.833 176.519 -0.000 0.000 1.253 413 W CA -0.624 56.729 57.345 0.014 0.000 1.195 413 W CB 1.265 30.731 29.460 0.011 0.000 1.366 413 W HN -0.174 nan 8.180 nan 0.000 0.551 414 I N 4.786 125.239 120.570 -0.195 0.000 2.882 414 I HA 0.450 4.619 4.170 -0.000 0.000 0.298 414 I C -1.322 174.526 176.117 -0.449 0.000 1.462 414 I CA -0.502 60.689 61.300 -0.182 0.000 1.000 414 I CB 1.813 39.637 38.000 -0.293 0.000 1.340 414 I HN 0.715 nan 8.210 nan 0.000 0.462 415 N N 2.530 121.081 118.700 -0.248 0.000 3.449 415 N HA 0.301 5.041 4.740 -0.000 0.000 0.312 415 N C -0.583 174.829 175.510 -0.163 0.000 1.582 415 N CA -0.952 51.992 53.050 -0.177 0.000 0.850 415 N CB 1.003 39.475 38.487 -0.024 0.000 1.822 415 N HN 0.572 nan 8.380 nan 0.000 0.577 416 N N -0.722 117.978 118.700 0.000 0.000 2.205 416 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 416 N C -0.179 175.306 175.510 -0.042 0.000 1.015 416 N CA 1.284 54.339 53.050 0.009 0.000 0.862 416 N CB -0.060 38.464 38.487 0.062 0.000 0.986 416 N HN 0.396 nan 8.380 nan 0.000 0.429 417 D N -0.444 119.953 120.400 -0.005 0.000 2.469 417 D HA 0.153 4.793 4.640 -0.000 0.000 0.213 417 D C -0.522 175.801 176.300 0.038 0.000 1.135 417 D CA 0.242 54.245 54.000 0.005 0.000 0.834 417 D CB 1.227 42.048 40.800 0.035 0.000 1.009 417 D HN -0.088 nan 8.370 nan 0.000 0.507 418 V N 1.683 121.642 119.914 0.075 0.000 2.656 418 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 418 V C -0.479 175.710 176.094 0.158 0.000 1.051 418 V CA -0.863 61.529 62.300 0.153 0.000 0.893 418 V CB 3.103 35.083 31.823 0.261 0.000 0.999 418 V HN -0.079 nan 8.190 nan 0.000 0.426 419 I N 4.749 125.433 120.570 0.190 0.000 2.582 419 I HA 0.599 4.768 4.170 -0.000 0.000 0.292 419 I C -1.396 174.900 176.117 0.299 0.000 1.066 419 I CA -0.683 60.759 61.300 0.236 0.000 1.053 419 I CB 1.893 40.022 38.000 0.214 0.000 1.241 419 I HN 0.555 nan 8.210 nan 0.000 0.421 420 I N 8.208 128.969 120.570 0.317 0.000 2.410 420 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 420 I C -1.203 175.070 176.117 0.260 0.000 1.009 420 I CA -0.655 60.788 61.300 0.238 0.000 1.111 420 I CB 1.280 39.429 38.000 0.247 0.000 1.262 420 I HN 0.456 nan 8.210 nan 0.000 0.443 421 Y N 3.352 123.759 120.300 0.178 0.000 2.598 421 Y HA 0.776 5.326 4.550 -0.000 0.000 0.340 421 Y C -0.624 175.351 175.900 0.124 0.000 1.038 421 Y CA -1.287 56.899 58.100 0.144 0.000 1.100 421 Y CB 1.094 39.665 38.460 0.184 0.000 1.281 421 Y HN 0.492 nan 8.280 nan 0.000 0.488 422 E N 1.792 122.150 120.200 0.263 0.000 2.238 422 E HA 0.514 4.864 4.350 -0.000 0.000 0.267 422 E C -1.250 175.514 176.600 0.274 0.000 0.887 422 E CA -1.180 55.327 56.400 0.178 0.000 0.769 422 E CB 1.228 30.986 29.700 0.098 0.000 1.187 422 E HN 0.648 nan 8.360 nan 0.000 0.416 423 R N 3.141 123.774 120.500 0.222 0.000 2.562 423 R HA 0.462 4.802 4.340 -0.000 0.000 0.298 423 R C -0.836 175.580 176.300 0.194 0.000 0.961 423 R CA -0.699 55.531 56.100 0.217 0.000 0.881 423 R CB 1.652 32.057 30.300 0.175 0.000 1.159 423 R HN 0.496 nan 8.270 nan 0.000 0.450 424 K N 2.284 122.817 120.400 0.221 0.000 2.513 424 K HA 0.450 4.770 4.320 -0.000 0.000 0.251 424 K C -1.809 174.978 176.600 0.312 0.000 0.939 424 K CA -0.572 55.852 56.287 0.227 0.000 0.793 424 K CB 1.421 34.041 32.500 0.200 0.000 1.241 424 K HN 0.409 nan 8.250 nan 0.000 0.431 425 F N 4.007 124.016 119.950 0.098 0.000 2.831 425 F HA 0.393 4.920 4.527 -0.000 0.000 0.346 425 F C 0.277 176.117 175.800 0.067 0.000 1.224 425 F CA 0.673 58.727 58.000 0.091 0.000 1.048 425 F CB 1.171 40.244 39.000 0.122 0.000 1.339 425 F HN 0.841 nan 8.300 nan 0.000 0.514 426 G N 5.124 113.799 108.800 -0.208 0.000 2.543 426 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.286 426 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.286 426 G C 0.476 175.375 174.900 -0.001 0.000 1.153 426 G CA 0.398 45.394 45.100 -0.173 0.000 0.968 426 G HN 0.602 nan 8.290 nan 0.000 0.544 427 N N 2.500 121.226 118.700 0.043 0.000 2.238 427 N HA 0.131 4.871 4.740 -0.000 0.000 0.222 427 N C -0.089 175.536 175.510 0.191 0.000 1.133 427 N CA -0.021 53.102 53.050 0.123 0.000 0.854 427 N CB -0.016 38.555 38.487 0.140 0.000 1.041 427 N HN 0.468 nan 8.380 nan 0.000 0.510 428 N N 0.642 119.435 118.700 0.156 0.000 2.498 428 N HA 0.303 5.043 4.740 -0.000 0.000 0.287 428 N C -0.541 175.076 175.510 0.179 0.000 1.097 428 N CA -0.043 53.097 53.050 0.150 0.000 0.973 428 N CB 2.482 41.057 38.487 0.148 0.000 1.153 428 N HN -0.237 nan 8.380 nan 0.000 0.472 429 V N 0.412 120.426 119.914 0.168 0.000 2.841 429 V HA 0.749 4.869 4.120 -0.000 0.000 0.310 429 V C -0.660 175.494 176.094 0.100 0.000 1.090 429 V CA -0.886 61.499 62.300 0.141 0.000 0.930 429 V CB 1.847 33.746 31.823 0.128 0.000 1.014 429 V HN 0.813 nan 8.190 nan 0.000 0.425 430 A N 3.224 126.094 122.820 0.083 0.000 2.449 430 A HA 0.941 5.261 4.320 -0.000 0.000 0.302 430 A C -1.404 176.205 177.584 0.042 0.000 1.048 430 A CA -0.597 51.471 52.037 0.052 0.000 0.708 430 A CB 2.073 21.091 19.000 0.030 0.000 1.274 430 A HN 0.743 nan 8.150 nan 0.000 0.410 431 V N 2.111 122.049 119.914 0.040 0.000 2.588 431 V HA 0.594 4.714 4.120 -0.000 0.000 0.304 431 V C -0.649 175.406 176.094 -0.065 0.000 1.042 431 V CA -0.502 61.825 62.300 0.046 0.000 0.877 431 V CB 1.741 33.681 31.823 0.193 0.000 0.996 431 V HN 0.730 nan 8.190 nan 0.000 0.425 432 V N 3.327 123.037 119.914 -0.340 0.000 2.588 432 V HA 0.884 5.004 4.120 -0.000 0.000 0.304 432 V C 0.054 175.955 176.094 -0.322 0.000 1.042 432 V CA -0.545 61.461 62.300 -0.490 0.000 0.877 432 V CB 1.872 33.193 31.823 -0.837 0.000 0.996 432 V HN 1.007 nan 8.190 nan 0.000 0.425 433 A N 6.005 128.707 122.820 -0.197 0.000 2.343 433 A HA 0.936 5.256 4.320 -0.000 0.000 0.316 433 A C -0.949 176.647 177.584 0.021 0.000 1.104 433 A CA -0.476 51.574 52.037 0.021 0.000 0.768 433 A CB 0.914 20.039 19.000 0.208 0.000 1.213 433 A HN 0.760 nan 8.150 nan 0.000 0.456 434 I N 2.398 123.038 120.570 0.118 0.000 2.499 434 I HA 0.278 4.447 4.170 -0.000 0.000 0.288 434 I C -0.784 175.425 176.117 0.153 0.000 1.048 434 I CA -0.749 60.639 61.300 0.146 0.000 1.062 434 I CB 2.293 40.446 38.000 0.256 0.000 1.238 434 I HN 0.648 nan 8.210 nan 0.000 0.426 435 N N 5.728 124.502 118.700 0.124 0.000 2.511 435 N HA 0.248 4.988 4.740 -0.000 0.000 0.249 435 N C 0.725 176.310 175.510 0.126 0.000 0.971 435 N CA -0.715 52.400 53.050 0.108 0.000 0.938 435 N CB 0.950 39.484 38.487 0.078 0.000 1.131 435 N HN 0.611 nan 8.380 nan 0.000 0.505 436 R N 2.004 122.586 120.500 0.137 0.000 2.299 436 R HA 0.100 4.439 4.340 -0.000 0.000 0.197 436 R C 0.093 176.456 176.300 0.105 0.000 0.971 436 R CA -0.036 56.160 56.100 0.160 0.000 1.030 436 R CB -0.080 30.308 30.300 0.146 0.000 0.932 436 R HN 0.262 nan 8.270 nan 0.000 0.477 437 N N 1.389 120.135 118.700 0.077 0.000 2.430 437 N HA 0.021 4.761 4.740 -0.000 0.000 0.265 437 N C 0.444 175.991 175.510 0.062 0.000 1.100 437 N CA -0.079 53.007 53.050 0.060 0.000 0.961 437 N CB 0.973 39.490 38.487 0.049 0.000 1.075 437 N HN 0.129 nan 8.380 nan 0.000 0.478 438 M N 3.019 122.655 119.600 0.060 0.000 2.595 438 M HA 0.010 4.490 4.480 -0.000 0.000 0.248 438 M C 0.325 176.652 176.300 0.046 0.000 1.119 438 M CA 0.746 56.081 55.300 0.058 0.000 1.079 438 M CB -0.835 31.801 32.600 0.061 0.000 1.472 438 M HN 0.536 nan 8.290 nan 0.000 0.501 439 N N -0.709 118.015 118.700 0.041 0.000 2.445 439 N HA 0.031 4.771 4.740 -0.000 0.000 0.204 439 N C -0.218 175.311 175.510 0.032 0.000 1.098 439 N CA 0.235 53.305 53.050 0.034 0.000 0.859 439 N CB 0.552 39.057 38.487 0.029 0.000 1.249 439 N HN 0.046 nan 8.380 nan 0.000 0.462 440 T N 2.482 117.057 114.554 0.035 0.000 2.771 440 T HA 0.397 4.747 4.350 -0.000 0.000 0.281 440 T C -2.734 171.986 174.700 0.033 0.000 0.982 440 T CA -1.523 60.596 62.100 0.033 0.000 0.978 440 T CB 2.031 70.919 68.868 0.034 0.000 0.930 440 T HN -0.149 nan 8.240 nan 0.000 0.447 441 P HA 0.313 nan 4.420 nan 0.000 0.267 441 P C -1.135 176.169 177.300 0.007 0.000 1.200 441 P CA -0.328 62.784 63.100 0.020 0.000 0.772 441 P CB 0.383 32.093 31.700 0.018 0.000 0.855 442 A N 2.145 124.952 122.820 -0.022 0.000 2.303 442 A HA 0.482 4.802 4.320 -0.000 0.000 0.320 442 A C 0.129 177.616 177.584 -0.163 0.000 1.192 442 A CA -0.428 51.574 52.037 -0.059 0.000 0.821 442 A CB 0.504 19.459 19.000 -0.074 0.000 1.188 442 A HN 0.412 nan 8.150 nan 0.000 0.492 443 S N 3.509 119.134 115.700 -0.126 0.000 2.439 443 S HA 0.441 4.911 4.470 -0.000 0.000 0.282 443 S C -0.090 174.300 174.600 -0.349 0.000 1.170 443 S CA -0.522 57.567 58.200 -0.184 0.000 1.054 443 S CB -0.437 62.726 63.200 -0.061 0.000 0.956 443 S HN 0.449 nan 8.310 nan 0.000 0.490 444 I N 5.963 126.127 120.570 -0.676 0.000 2.315 444 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 444 I C 0.702 176.514 176.117 -0.508 0.000 1.006 444 I CA -0.198 60.494 61.300 -1.015 0.000 1.265 444 I CB 0.467 37.481 38.000 -1.643 0.000 1.387 444 I HN 0.733 nan 8.210 nan 0.000 0.475 445 T N 0.509 114.965 114.554 -0.163 0.000 2.893 445 T HA 0.660 5.010 4.350 -0.000 0.000 0.293 445 T C 0.553 175.366 174.700 0.188 0.000 1.027 445 T CA -0.306 61.807 62.100 0.021 0.000 0.988 445 T CB 1.971 70.888 68.868 0.082 0.000 1.043 445 T HN 1.043 nan 8.240 nan 0.000 0.461 446 G N 0.942 109.813 108.800 0.119 0.000 2.160 446 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.244 446 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.244 446 G C -0.227 174.794 174.900 0.202 0.000 1.022 446 G CA 0.032 45.227 45.100 0.158 0.000 0.741 446 G HN 1.120 nan 8.290 nan 0.000 0.508 447 L N 0.759 122.059 121.223 0.128 0.000 2.319 447 L HA 0.697 5.037 4.340 -0.000 0.000 0.280 447 L C 0.191 177.116 176.870 0.091 0.000 1.099 447 L CA -0.544 54.380 54.840 0.140 0.000 0.828 447 L CB 1.566 43.650 42.059 0.043 0.000 1.150 447 L HN 0.089 nan 8.230 nan 0.000 0.442 448 V N 4.527 124.497 119.914 0.093 0.000 2.555 448 V HA 0.763 4.883 4.120 -0.000 0.000 0.302 448 V C 0.210 176.320 176.094 0.027 0.000 1.038 448 V CA -0.049 62.282 62.300 0.051 0.000 0.887 448 V CB 1.914 33.776 31.823 0.064 0.000 0.991 448 V HN 0.991 nan 8.190 nan 0.000 0.434 449 T N 0.130 114.684 114.554 0.001 0.000 2.831 449 T HA 0.385 4.735 4.350 -0.000 0.000 0.287 449 T C 0.307 175.007 174.700 -0.001 0.000 1.070 449 T CA -0.474 61.618 62.100 -0.013 0.000 1.010 449 T CB 1.881 70.711 68.868 -0.063 0.000 1.264 449 T HN 0.320 nan 8.240 nan 0.000 0.532 450 S N 0.146 115.851 115.700 0.009 0.000 2.614 450 S HA 0.318 4.788 4.470 -0.000 0.000 0.230 450 S C 0.437 175.015 174.600 -0.037 0.000 0.952 450 S CA -0.505 57.705 58.200 0.016 0.000 0.949 450 S CB -0.739 62.502 63.200 0.068 0.000 0.786 450 S HN 0.451 nan 8.310 nan 0.000 0.478 451 L N 2.959 124.118 121.223 -0.106 0.000 2.380 451 L HA 0.278 4.618 4.340 -0.000 0.000 0.273 451 L C -2.199 174.574 176.870 -0.162 0.000 1.138 451 L CA -2.126 52.589 54.840 -0.208 0.000 0.832 451 L CB 0.191 41.996 42.059 -0.423 0.000 1.124 451 L HN -0.019 nan 8.230 nan 0.000 0.454 452 P HA -0.024 nan 4.420 nan 0.000 0.270 452 P C -0.784 176.500 177.300 -0.027 0.000 1.221 452 P CA -0.361 62.622 63.100 -0.196 0.000 0.788 452 P CB 0.309 31.748 31.700 -0.436 0.000 0.904 453 R N 0.884 121.366 120.500 -0.030 0.000 2.679 453 R HA 0.517 4.857 4.340 -0.000 0.000 0.268 453 R C 0.072 176.362 176.300 -0.016 0.000 1.044 453 R CA 0.316 56.416 56.100 0.002 0.000 1.105 453 R CB -0.431 29.852 30.300 -0.028 0.000 0.989 453 R HN 0.702 nan 8.270 nan 0.000 0.447 454 G N 0.421 109.193 108.800 -0.046 0.000 2.320 454 G HA2 0.125 4.085 3.960 -0.000 0.000 0.297 454 G HA3 0.125 4.085 3.960 -0.000 0.000 0.297 454 G C -1.665 173.070 174.900 -0.275 0.000 1.344 454 G CA -0.798 44.148 45.100 -0.256 0.000 0.851 454 G HN 0.459 nan 8.290 nan 0.000 0.567 455 S N 0.468 115.943 115.700 -0.375 0.000 2.505 455 S HA 0.486 4.956 4.470 -0.000 0.000 0.280 455 S C -0.953 173.467 174.600 -0.299 0.000 1.197 455 S CA -0.304 57.751 58.200 -0.242 0.000 1.138 455 S CB 0.080 63.186 63.200 -0.155 0.000 1.010 455 S HN 0.400 nan 8.310 nan 0.000 0.480 456 Y N 2.536 122.773 120.300 -0.105 0.000 2.359 456 Y HA 0.212 4.762 4.550 -0.000 0.000 0.334 456 Y C 1.109 177.078 175.900 0.114 0.000 1.058 456 Y CA -0.434 57.664 58.100 -0.003 0.000 1.244 456 Y CB 0.476 38.913 38.460 -0.038 0.000 1.187 456 Y HN 0.430 nan 8.280 nan 0.000 0.510 457 N N 2.388 121.242 118.700 0.256 0.000 2.518 457 N HA -0.004 4.736 4.740 -0.000 0.000 0.283 457 N C -0.860 174.827 175.510 0.296 0.000 1.119 457 N CA -0.462 52.722 53.050 0.223 0.000 0.983 457 N CB 0.916 39.466 38.487 0.106 0.000 1.139 457 N HN 0.652 nan 8.380 nan 0.000 0.465 458 D N 1.321 121.841 120.400 0.199 0.000 2.434 458 D HA -0.024 4.616 4.640 -0.000 0.000 0.252 458 D C 1.132 177.401 176.300 -0.051 0.000 1.185 458 D CA -0.132 53.839 54.000 -0.049 0.000 0.886 458 D CB 0.782 41.521 40.800 -0.101 0.000 1.148 458 D HN 0.143 nan 8.370 nan 0.000 0.483 459 V N 4.581 124.442 119.914 -0.088 0.000 2.469 459 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 459 V C 2.284 178.335 176.094 -0.072 0.000 1.064 459 V CA 1.341 63.606 62.300 -0.058 0.000 1.066 459 V CB -0.545 31.237 31.823 -0.068 0.000 0.667 459 V HN 0.659 nan 8.190 nan 0.000 0.461 460 L N 0.475 121.631 121.223 -0.111 0.000 2.622 460 L HA 0.134 4.474 4.340 -0.000 0.000 0.233 460 L C 1.827 178.667 176.870 -0.049 0.000 1.156 460 L CA 0.846 55.636 54.840 -0.083 0.000 0.866 460 L CB -0.845 41.150 42.059 -0.106 0.000 0.980 460 L HN 0.574 nan 8.230 nan 0.000 0.448 461 G N -0.109 108.669 108.800 -0.037 0.000 2.179 461 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 461 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 461 G C 0.976 175.871 174.900 -0.009 0.000 1.010 461 G CA 0.323 45.416 45.100 -0.012 0.000 0.736 461 G HN 0.689 nan 8.290 nan 0.000 0.513 462 G N -0.696 108.091 108.800 -0.021 0.000 2.179 462 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 462 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 462 G C 1.331 176.228 174.900 -0.006 0.000 0.977 462 G CA 1.171 46.265 45.100 -0.009 0.000 0.641 462 G HN 1.977 nan 8.290 nan 0.000 0.533 463 I N -2.024 118.541 120.570 -0.009 0.000 2.614 463 I HA 0.243 4.413 4.170 -0.000 0.000 0.258 463 I C 1.594 177.714 176.117 0.005 0.000 1.189 463 I CA 1.112 62.415 61.300 0.004 0.000 1.462 463 I CB -0.165 37.841 38.000 0.011 0.000 1.092 463 I HN 0.187 nan 8.210 nan 0.000 0.442 464 L N 1.730 122.946 121.223 -0.010 0.000 3.094 464 L HA 0.347 4.687 4.340 -0.000 0.000 0.254 464 L C -0.247 176.622 176.870 -0.002 0.000 1.298 464 L CA -0.227 54.611 54.840 -0.003 0.000 1.050 464 L CB -0.863 41.185 42.059 -0.018 0.000 1.420 464 L HN 0.316 nan 8.230 nan 0.000 0.548 465 N N -0.104 118.599 118.700 0.004 0.000 2.747 465 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 465 N C 0.725 176.245 175.510 0.017 0.000 1.107 465 N CA 0.729 53.789 53.050 0.017 0.000 0.707 465 N CB -0.850 37.656 38.487 0.031 0.000 1.054 465 N HN 0.624 nan 8.380 nan 0.000 0.555 466 G N 0.018 108.807 108.800 -0.018 0.000 2.653 466 G HA2 0.462 4.422 3.960 -0.000 0.000 0.265 466 G HA3 0.462 4.422 3.960 -0.000 0.000 0.265 466 G C 0.153 175.068 174.900 0.025 0.000 1.237 466 G CA -0.002 45.074 45.100 -0.039 0.000 0.946 466 G HN 0.441 nan 8.290 nan 0.000 0.522 467 N N -2.032 116.718 118.700 0.082 0.000 2.853 467 N HA 0.271 5.011 4.740 -0.000 0.000 0.258 467 N C -1.173 174.479 175.510 0.236 0.000 1.444 467 N CA -0.628 52.490 53.050 0.114 0.000 0.837 467 N CB 1.181 39.713 38.487 0.075 0.000 1.489 467 N HN 0.328 nan 8.380 nan 0.000 0.529 468 T N 0.977 115.601 114.554 0.116 0.000 2.897 468 T HA 0.290 4.640 4.350 -0.000 0.000 0.294 468 T C -0.076 174.527 174.700 -0.162 0.000 1.004 468 T CA -0.285 61.871 62.100 0.092 0.000 1.106 468 T CB 0.399 69.277 68.868 0.018 0.000 0.949 468 T HN 0.354 nan 8.240 nan 0.000 0.520 469 L N 3.749 124.719 121.223 -0.422 0.000 2.272 469 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 469 L C -0.021 176.625 176.870 -0.372 0.000 1.032 469 L CA -0.006 54.351 54.840 -0.805 0.000 0.810 469 L CB 1.161 42.178 42.059 -1.737 0.000 1.205 469 L HN 0.604 nan 8.230 nan 0.000 0.422 470 T N 4.675 119.065 114.554 -0.273 0.000 2.744 470 T HA 0.525 4.875 4.350 -0.000 0.000 0.291 470 T C -0.385 174.249 174.700 -0.110 0.000 0.957 470 T CA -0.345 61.673 62.100 -0.137 0.000 1.002 470 T CB 1.001 69.810 68.868 -0.098 0.000 0.919 470 T HN 0.315 nan 8.240 nan 0.000 0.468 471 V N 3.338 123.227 119.914 -0.041 0.000 2.417 471 V HA 0.726 4.846 4.120 -0.000 0.000 0.291 471 V C 0.835 176.919 176.094 -0.015 0.000 1.024 471 V CA -0.507 61.776 62.300 -0.028 0.000 0.861 471 V CB 1.628 33.466 31.823 0.024 0.000 0.985 471 V HN 1.012 nan 8.190 nan 0.000 0.436 472 G N 2.633 111.420 108.800 -0.022 0.000 2.782 472 G HA2 0.676 4.636 3.960 -0.000 0.000 0.201 472 G HA3 0.676 4.636 3.960 -0.000 0.000 0.201 472 G C -0.005 174.886 174.900 -0.016 0.000 1.374 472 G CA -0.186 44.903 45.100 -0.018 0.000 1.039 472 G HN 1.015 nan 8.290 nan 0.000 0.576 473 A N -1.471 121.342 122.820 -0.012 0.000 2.477 473 A HA 0.517 4.837 4.320 -0.000 0.000 0.246 473 A C 1.385 178.965 177.584 -0.006 0.000 1.078 473 A CA 1.032 53.062 52.037 -0.010 0.000 0.770 473 A CB -0.446 18.550 19.000 -0.006 0.000 1.011 473 A HN 2.491 nan 8.150 nan 0.000 0.494 474 G N 0.960 109.756 108.800 -0.007 0.000 2.198 474 G HA2 0.163 4.123 3.960 -0.000 0.000 0.260 474 G HA3 0.163 4.123 3.960 -0.000 0.000 0.260 474 G C 1.561 176.460 174.900 -0.002 0.000 1.025 474 G CA 1.008 46.108 45.100 -0.001 0.000 0.769 474 G HN 2.806 nan 8.290 nan 0.000 0.507 475 G N -1.767 107.023 108.800 -0.015 0.000 2.168 475 G HA2 0.138 4.098 3.960 -0.000 0.000 0.263 475 G HA3 0.138 4.098 3.960 -0.000 0.000 0.263 475 G C 0.808 175.695 174.900 -0.022 0.000 0.977 475 G CA 1.245 46.330 45.100 -0.025 0.000 0.659 475 G HN 2.360 nan 8.290 nan 0.000 0.533 476 A N 0.176 122.990 122.820 -0.010 0.000 2.404 476 A HA 0.792 5.112 4.320 -0.000 0.000 0.273 476 A C 0.882 178.456 177.584 -0.018 0.000 1.144 476 A CA 0.972 53.008 52.037 -0.001 0.000 0.806 476 A CB 0.387 19.393 19.000 0.009 0.000 1.080 476 A HN 2.037 nan 8.150 nan 0.000 0.509 477 A N 2.895 125.703 122.820 -0.021 0.000 2.371 477 A HA 0.543 4.863 4.320 -0.000 0.000 0.257 477 A C 0.882 178.469 177.584 0.004 0.000 1.089 477 A CA 0.160 52.172 52.037 -0.041 0.000 0.794 477 A CB 0.176 19.146 19.000 -0.050 0.000 1.029 477 A HN 1.316 nan 8.150 nan 0.000 0.488 478 S N 1.890 117.585 115.700 -0.008 0.000 2.560 478 S HA 0.082 4.552 4.470 -0.000 0.000 0.284 478 S C 0.387 175.046 174.600 0.098 0.000 1.327 478 S CA -0.661 57.552 58.200 0.022 0.000 1.055 478 S CB -0.300 62.896 63.200 -0.007 0.000 0.868 478 S HN 0.707 nan 8.310 nan 0.000 0.506 479 N N 2.925 121.673 118.700 0.079 0.000 2.441 479 N HA 0.376 5.116 4.740 -0.000 0.000 0.251 479 N C -0.369 175.246 175.510 0.176 0.000 1.242 479 N CA 0.343 53.437 53.050 0.073 0.000 0.898 479 N CB 0.006 38.496 38.487 0.005 0.000 1.100 479 N HN 0.630 nan 8.380 nan 0.000 0.443 480 F N -2.741 117.152 119.950 -0.095 0.000 2.715 480 F HA 0.585 5.113 4.527 0.000 0.000 0.318 480 F C -0.618 175.136 175.800 -0.076 0.000 1.141 480 F CA -1.119 56.839 58.000 -0.070 0.000 0.950 480 F CB 1.043 40.007 39.000 -0.060 0.000 1.374 480 F HN 0.041 nan 8.300 nan 0.000 0.477 481 T N 2.997 117.621 114.554 0.116 0.000 2.758 481 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 481 T C -1.022 173.755 174.700 0.129 0.000 0.981 481 T CA -0.331 61.767 62.100 -0.004 0.000 0.965 481 T CB 1.190 70.076 68.868 0.030 0.000 0.927 481 T HN 0.642 nan 8.240 nan 0.000 0.448 482 L N 4.421 125.647 121.223 0.005 0.000 2.278 482 L HA 0.624 4.964 4.340 -0.000 0.000 0.287 482 L C 0.633 177.549 176.870 0.076 0.000 1.072 482 L CA -0.305 54.612 54.840 0.128 0.000 0.819 482 L CB -0.254 41.831 42.059 0.044 0.000 1.176 482 L HN 0.795 nan 8.230 nan 0.000 0.435 483 A N 7.953 130.831 122.820 0.097 0.000 2.547 483 A HA 0.322 4.642 4.320 -0.000 0.000 0.233 483 A C -2.182 175.435 177.584 0.056 0.000 1.067 483 A CA -0.776 51.300 52.037 0.067 0.000 0.763 483 A CB -0.944 18.095 19.000 0.064 0.000 1.007 483 A HN 0.682 nan 8.150 nan 0.000 0.506 484 P HA 0.089 nan 4.420 nan 0.000 0.261 484 P C 0.890 178.223 177.300 0.055 0.000 1.183 484 P CA 1.700 64.829 63.100 0.049 0.000 0.761 484 P CB 0.280 32.006 31.700 0.042 0.000 0.785 485 G N 2.469 111.308 108.800 0.065 0.000 2.168 485 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.263 485 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.263 485 G C 0.591 175.528 174.900 0.062 0.000 0.977 485 G CA -0.058 45.085 45.100 0.072 0.000 0.659 485 G HN 0.894 nan 8.290 nan 0.000 0.533 486 G N -0.479 108.357 108.800 0.060 0.000 2.380 486 G HA2 0.533 4.493 3.960 -0.000 0.000 0.242 486 G HA3 0.533 4.493 3.960 -0.000 0.000 0.242 486 G C -0.074 174.845 174.900 0.032 0.000 1.298 486 G CA 1.054 46.183 45.100 0.049 0.000 0.878 486 G HN 0.803 nan 8.290 nan 0.000 0.542 487 T N 0.349 114.893 114.554 -0.017 0.000 3.071 487 T HA 0.661 5.011 4.350 -0.000 0.000 0.311 487 T C -0.325 174.266 174.700 -0.181 0.000 1.042 487 T CA 0.064 62.120 62.100 -0.074 0.000 1.028 487 T CB 1.738 70.574 68.868 -0.054 0.000 1.068 487 T HN 1.169 nan 8.240 nan 0.000 0.451 488 A N 2.291 124.902 122.820 -0.350 0.000 2.539 488 A HA 0.921 5.241 4.320 -0.000 0.000 0.296 488 A C -1.461 175.582 177.584 -0.902 0.000 1.073 488 A CA -0.731 50.904 52.037 -0.669 0.000 0.700 488 A CB 1.697 20.123 19.000 -0.956 0.000 1.296 488 A HN 0.670 nan 8.150 nan 0.000 0.405 489 V N 1.710 121.075 119.914 -0.915 0.000 2.623 489 V HA 0.578 4.698 4.120 -0.000 0.000 0.304 489 V C -1.253 174.479 176.094 -0.602 0.000 1.054 489 V CA -0.501 61.428 62.300 -0.619 0.000 0.882 489 V CB 1.605 33.246 31.823 -0.303 0.000 1.002 489 V HN 0.828 nan 8.190 nan 0.000 0.424 490 W N 3.921 125.173 121.300 -0.080 0.000 2.819 490 W HA 0.737 5.397 4.660 0.000 0.000 0.337 490 W C -0.276 176.190 176.519 -0.088 0.000 1.077 490 W CA -0.576 56.729 57.345 -0.066 0.000 1.226 490 W CB 2.185 31.566 29.460 -0.131 0.000 1.419 490 W HN 0.730 nan 8.180 nan 0.000 0.502 491 Q N 1.348 121.264 119.800 0.193 0.000 2.511 491 Q HA 0.687 5.027 4.340 -0.000 0.000 0.289 491 Q C -2.246 173.881 176.000 0.213 0.000 1.021 491 Q CA -1.095 54.780 55.803 0.120 0.000 0.785 491 Q CB 3.512 32.299 28.738 0.082 0.000 1.472 491 Q HN 0.376 nan 8.270 nan 0.000 0.411 492 Y N 0.699 121.030 120.300 0.052 0.000 2.401 492 Y HA 0.510 5.061 4.550 0.000 0.000 0.330 492 Y C -1.680 174.269 175.900 0.082 0.000 1.071 492 Y CA -0.119 58.051 58.100 0.116 0.000 1.049 492 Y CB 2.290 40.809 38.460 0.098 0.000 1.239 492 Y HN 0.925 nan 8.280 nan 0.000 0.437 493 T N 1.791 115.943 114.554 -0.669 0.000 2.908 493 T HA 0.853 5.203 4.350 -0.000 0.000 0.290 493 T C -0.547 173.764 174.700 -0.648 0.000 1.034 493 T CA -0.666 61.158 62.100 -0.460 0.000 1.010 493 T CB 2.193 70.935 68.868 -0.210 0.000 1.068 493 T HN 0.740 nan 8.240 nan 0.000 0.481 494 T N -0.160 114.213 114.554 -0.300 0.000 2.693 494 T HA 0.339 4.689 4.350 -0.000 0.000 0.304 494 T C -1.783 172.888 174.700 -0.048 0.000 1.471 494 T CA -0.713 61.296 62.100 -0.152 0.000 0.993 494 T CB 1.454 70.302 68.868 -0.033 0.000 1.554 494 T HN 0.750 nan 8.240 nan 0.000 0.496 495 D N 1.334 121.725 120.400 -0.015 0.000 2.313 495 D HA 0.526 5.166 4.640 -0.000 0.000 0.247 495 D C -0.220 176.075 176.300 -0.008 0.000 1.094 495 D CA -0.142 53.850 54.000 -0.012 0.000 0.925 495 D CB 1.425 42.222 40.800 -0.005 0.000 1.188 495 D HN 0.671 nan 8.370 nan 0.000 0.430 496 A N 0.679 123.480 122.820 -0.032 0.000 2.301 496 A HA 0.413 4.733 4.320 -0.000 0.000 0.312 496 A C 1.018 178.580 177.584 -0.035 0.000 1.182 496 A CA -0.499 51.504 52.037 -0.056 0.000 0.826 496 A CB 0.665 19.590 19.000 -0.124 0.000 1.134 496 A HN 0.582 nan 8.150 nan 0.000 0.501 497 T N -0.603 113.939 114.554 -0.020 0.000 3.039 497 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 497 T C 0.828 175.536 174.700 0.014 0.000 1.052 497 T CA 1.008 63.111 62.100 0.004 0.000 1.125 497 T CB -0.274 68.600 68.868 0.011 0.000 0.908 497 T HN 0.500 nan 8.240 nan 0.000 0.473 498 T N 4.198 118.748 114.554 -0.007 0.000 2.889 498 T HA 0.433 4.783 4.350 -0.000 0.000 0.291 498 T C -2.744 171.958 174.700 0.005 0.000 0.995 498 T CA -1.222 60.881 62.100 0.005 0.000 1.092 498 T CB 1.209 70.064 68.868 -0.022 0.000 0.954 498 T HN 0.070 nan 8.240 nan 0.000 0.506 499 P HA 0.179 nan 4.420 nan 0.000 0.267 499 P C -0.832 176.500 177.300 0.053 0.000 1.209 499 P CA -0.112 63.086 63.100 0.162 0.000 0.763 499 P CB 0.184 32.054 31.700 0.283 0.000 0.816 500 I N 4.168 124.711 120.570 -0.044 0.000 2.466 500 I HA 0.393 4.563 4.170 -0.000 0.000 0.289 500 I C 0.221 176.388 176.117 0.084 0.000 1.026 500 I CA -0.940 60.275 61.300 -0.142 0.000 1.078 500 I CB 1.447 39.020 38.000 -0.712 0.000 1.249 500 I HN 0.231 nan 8.210 nan 0.000 0.429 501 I N 4.368 125.048 120.570 0.184 0.000 2.342 501 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 501 I C 1.286 177.512 176.117 0.181 0.000 1.010 501 I CA 0.054 61.463 61.300 0.181 0.000 1.308 501 I CB 1.815 39.856 38.000 0.070 0.000 1.400 501 I HN 0.837 nan 8.210 nan 0.000 0.488 502 G N 4.992 113.714 108.800 -0.130 0.000 2.656 502 G HA2 0.078 4.038 3.960 -0.000 0.000 0.211 502 G HA3 0.078 4.038 3.960 -0.000 0.000 0.211 502 G C 0.267 174.994 174.900 -0.288 0.000 1.137 502 G CA 0.107 44.925 45.100 -0.470 0.000 0.802 502 G HN 0.664 nan 8.290 nan 0.000 0.527 503 N N -1.634 116.814 118.700 -0.420 0.000 2.935 503 N HA 0.407 5.147 4.740 -0.000 0.000 0.248 503 N C -2.103 173.118 175.510 -0.482 0.000 1.276 503 N CA -0.567 52.297 53.050 -0.310 0.000 0.906 503 N CB 2.227 40.721 38.487 0.011 0.000 1.564 503 N HN -0.140 nan 8.380 nan 0.000 0.500 504 V N 0.694 120.334 119.914 -0.456 0.000 2.789 504 V HA 0.910 5.030 4.120 -0.000 0.000 0.311 504 V C 0.006 176.116 176.094 0.025 0.000 1.073 504 V CA -0.473 61.677 62.300 -0.249 0.000 0.921 504 V CB 1.636 33.292 31.823 -0.279 0.000 1.009 504 V HN 0.812 nan 8.190 nan 0.000 0.426 505 G N 3.981 112.827 108.800 0.075 0.000 2.753 505 G HA2 0.719 4.679 3.960 -0.000 0.000 0.297 505 G HA3 0.719 4.679 3.960 -0.000 0.000 0.297 505 G C -3.305 171.683 174.900 0.145 0.000 1.430 505 G CA -1.187 43.999 45.100 0.143 0.000 1.040 505 G HN 0.493 nan 8.290 nan 0.000 0.530 506 P HA 0.215 nan 4.420 nan 0.000 0.274 506 P C 0.179 177.594 177.300 0.192 0.000 1.256 506 P CA -0.332 62.853 63.100 0.142 0.000 0.795 506 P CB 1.299 33.047 31.700 0.080 0.000 1.038 507 M N -0.122 119.500 119.600 0.036 0.000 2.404 507 M HA 0.298 4.778 4.480 -0.000 0.000 0.271 507 M C 0.416 176.343 176.300 -0.622 0.000 1.128 507 M CA 0.282 55.504 55.300 -0.129 0.000 0.982 507 M CB -0.411 32.200 32.600 0.018 0.000 1.445 507 M HN 0.458 nan 8.290 nan 0.000 0.495 508 M N 0.970 120.293 119.600 -0.462 0.000 2.274 508 M HA 0.612 5.092 4.480 -0.000 0.000 0.272 508 M C -2.233 173.943 176.300 -0.207 0.000 1.053 508 M CA -0.139 54.910 55.300 -0.419 0.000 0.978 508 M CB 2.117 34.571 32.600 -0.243 0.000 1.836 508 M HN 0.060 nan 8.290 nan 0.000 0.484 509 A N 3.669 126.422 122.820 -0.111 0.000 2.544 509 A HA 0.590 4.910 4.320 -0.000 0.000 0.291 509 A C -1.852 175.761 177.584 0.048 0.000 1.055 509 A CA -0.957 51.084 52.037 0.007 0.000 0.651 509 A CB 1.516 20.566 19.000 0.083 0.000 1.296 509 A HN 0.903 nan 8.150 nan 0.000 0.431 510 K N 0.233 120.650 120.400 0.028 0.000 2.107 510 K HA 0.629 4.949 4.320 -0.000 0.000 0.251 510 K C -2.647 173.956 176.600 0.006 0.000 1.012 510 K CA -1.463 54.836 56.287 0.020 0.000 0.920 510 K CB 0.215 32.717 32.500 0.004 0.000 1.033 510 K HN 0.263 nan 8.250 nan 0.000 0.478 511 P HA -0.077 nan 4.420 nan 0.000 0.263 511 P C 0.455 177.715 177.300 -0.067 0.000 1.175 511 P CA 1.489 64.539 63.100 -0.084 0.000 0.761 511 P CB 0.470 32.117 31.700 -0.087 0.000 0.794 512 G N 0.853 109.599 108.800 -0.089 0.000 2.259 512 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 512 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 512 G C 0.075 174.947 174.900 -0.046 0.000 1.001 512 G CA -0.199 44.862 45.100 -0.064 0.000 0.627 512 G HN 0.547 nan 8.290 nan 0.000 0.501 513 V N 2.514 122.411 119.914 -0.028 0.000 2.614 513 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 513 V C 0.952 177.045 176.094 -0.002 0.000 1.049 513 V CA 0.544 62.841 62.300 -0.005 0.000 1.038 513 V CB 1.447 33.286 31.823 0.028 0.000 0.980 513 V HN 0.329 nan 8.190 nan 0.000 0.481 514 T N 6.788 121.339 114.554 -0.005 0.000 2.761 514 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 514 T C 0.023 174.739 174.700 0.028 0.000 0.934 514 T CA 0.042 62.142 62.100 -0.001 0.000 1.091 514 T CB 0.086 68.945 68.868 -0.016 0.000 0.896 514 T HN 0.590 nan 8.240 nan 0.000 0.515 515 I N 0.187 120.783 120.570 0.045 0.000 2.924 515 I HA 0.743 4.913 4.170 -0.000 0.000 0.316 515 I C -0.255 175.865 176.117 0.005 0.000 1.014 515 I CA -0.807 60.534 61.300 0.068 0.000 1.106 515 I CB 1.828 39.907 38.000 0.131 0.000 1.311 515 I HN 0.285 nan 8.210 nan 0.000 0.502 516 T N 4.601 119.154 114.554 -0.002 0.000 2.792 516 T HA 0.614 4.964 4.350 -0.000 0.000 0.280 516 T C -0.307 174.337 174.700 -0.094 0.000 0.990 516 T CA -0.233 61.840 62.100 -0.046 0.000 0.960 516 T CB 1.018 69.876 68.868 -0.017 0.000 0.939 516 T HN 0.376 nan 8.240 nan 0.000 0.439 517 I N 3.332 123.808 120.570 -0.157 0.000 2.389 517 I HA 0.402 4.572 4.170 -0.000 0.000 0.288 517 I C -0.648 175.415 176.117 -0.090 0.000 0.999 517 I CA -0.841 60.326 61.300 -0.222 0.000 1.129 517 I CB 1.659 39.428 38.000 -0.384 0.000 1.288 517 I HN 0.453 nan 8.210 nan 0.000 0.444 518 D N 4.479 124.830 120.400 -0.083 0.000 2.342 518 D HA 0.795 5.435 4.640 -0.000 0.000 0.243 518 D C 0.174 176.351 176.300 -0.204 0.000 1.019 518 D CA -0.052 53.913 54.000 -0.057 0.000 0.864 518 D CB 2.626 43.371 40.800 -0.091 0.000 1.315 518 D HN 0.792 nan 8.370 nan 0.000 0.468 519 G N 0.527 109.121 108.800 -0.343 0.000 2.441 519 G HA2 0.317 4.277 3.960 -0.000 0.000 0.225 519 G HA3 0.317 4.277 3.960 -0.000 0.000 0.225 519 G C -1.336 173.235 174.900 -0.548 0.000 1.200 519 G CA -0.592 44.247 45.100 -0.435 0.000 0.947 519 G HN 0.280 nan 8.290 nan 0.000 0.484 520 R N -0.920 119.233 120.500 -0.580 0.000 2.774 520 R HA 0.632 4.972 4.340 -0.000 0.000 0.272 520 R C 0.541 176.509 176.300 -0.553 0.000 1.000 520 R CA 0.001 55.821 56.100 -0.467 0.000 0.906 520 R CB 1.230 31.483 30.300 -0.079 0.000 1.227 520 R HN 2.204 nan 8.270 nan 0.000 0.468 521 G N 0.899 109.496 108.800 -0.339 0.000 2.143 521 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.248 521 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.248 521 G C 0.643 175.569 174.900 0.042 0.000 0.991 521 G CA 0.518 45.541 45.100 -0.129 0.000 0.689 521 G HN 0.586 nan 8.290 nan 0.000 0.522 522 F N 0.962 120.913 119.950 0.002 0.000 2.407 522 F HA 0.300 4.827 4.527 -0.000 0.000 0.299 522 F C 2.035 178.046 175.800 0.353 0.000 1.097 522 F CA 0.672 58.703 58.000 0.052 0.000 1.422 522 F CB 0.093 38.881 39.000 -0.354 0.000 1.067 522 F HN 0.841 nan 8.300 nan 0.000 0.539 523 G N 0.534 109.564 108.800 0.385 0.000 2.781 523 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.683 523 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.683 523 G C 0.545 175.700 174.900 0.425 0.000 1.390 523 G CA -0.236 45.063 45.100 0.331 0.000 0.850 523 G HN 0.267 nan 8.290 nan 0.000 0.557 524 S N -0.473 115.372 115.700 0.242 0.000 2.470 524 S HA 0.401 4.871 4.470 -0.000 0.000 0.225 524 S C 1.448 176.131 174.600 0.138 0.000 1.006 524 S CA 1.182 59.510 58.200 0.213 0.000 0.934 524 S CB 0.364 63.629 63.200 0.107 0.000 0.778 524 S HN 2.048 nan 8.310 nan 0.000 0.517 525 G N 1.398 110.194 108.800 -0.006 0.000 2.356 525 G HA2 0.419 4.379 3.960 -0.000 0.000 0.298 525 G HA3 0.419 4.379 3.960 -0.000 0.000 0.298 525 G C -0.653 173.833 174.900 -0.690 0.000 1.145 525 G CA -0.819 44.154 45.100 -0.212 0.000 0.850 525 G HN 0.349 nan 8.290 nan 0.000 0.487 526 K N 1.311 121.279 120.400 -0.720 0.000 2.484 526 K HA 0.278 4.598 4.320 -0.000 0.000 0.280 526 K C 0.896 176.744 176.600 -1.253 0.000 1.013 526 K CA 0.618 56.214 56.287 -1.151 0.000 1.029 526 K CB 0.277 32.497 32.500 -0.467 0.000 0.902 526 K HN 0.540 nan 8.250 nan 0.000 0.481 527 G N 1.982 109.565 108.800 -2.028 0.000 3.286 527 G HA2 0.354 4.314 3.960 -0.000 0.000 0.166 527 G HA3 0.354 4.314 3.960 -0.000 0.000 0.166 527 G C -1.070 173.520 174.900 -0.515 0.000 1.155 527 G CA -0.378 44.101 45.100 -1.035 0.000 0.871 527 G HN 0.554 nan 8.290 nan 0.000 0.637 528 T N 0.007 114.480 114.554 -0.134 0.000 2.861 528 T HA 0.568 4.918 4.350 -0.000 0.000 0.287 528 T C -0.938 173.721 174.700 -0.068 0.000 1.003 528 T CA -0.233 61.780 62.100 -0.145 0.000 0.977 528 T CB 2.042 70.719 68.868 -0.318 0.000 0.996 528 T HN 0.316 nan 8.240 nan 0.000 0.448 529 V N 3.336 123.160 119.914 -0.150 0.000 2.459 529 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 529 V C -1.188 174.741 176.094 -0.275 0.000 1.029 529 V CA -0.888 61.320 62.300 -0.154 0.000 0.874 529 V CB 0.898 32.673 31.823 -0.081 0.000 0.985 529 V HN 0.823 nan 8.190 nan 0.000 0.438 530 Y N 3.913 124.164 120.300 -0.080 0.000 2.331 530 Y HA 0.575 5.125 4.550 0.000 0.000 0.338 530 Y C -0.346 175.458 175.900 -0.160 0.000 0.992 530 Y CA -0.470 57.612 58.100 -0.030 0.000 1.121 530 Y CB 1.490 39.940 38.460 -0.017 0.000 1.184 530 Y HN 0.525 nan 8.280 nan 0.000 0.469 531 F N 2.640 122.633 119.950 0.072 0.000 2.325 531 F HA 0.509 5.037 4.527 0.000 0.000 0.369 531 F C 0.947 176.834 175.800 0.146 0.000 1.095 531 F CA -0.327 57.666 58.000 -0.011 0.000 1.082 531 F CB 0.875 39.721 39.000 -0.256 0.000 1.289 531 F HN 0.808 nan 8.300 nan 0.000 0.462 532 G N 2.489 111.516 108.800 0.379 0.000 2.591 532 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.298 532 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.298 532 G C 1.069 176.118 174.900 0.248 0.000 1.195 532 G CA 0.572 45.883 45.100 0.351 0.000 0.989 532 G HN 0.757 nan 8.290 nan 0.000 0.551 533 T N -1.691 113.001 114.554 0.231 0.000 3.086 533 T HA 0.426 4.776 4.350 -0.000 0.000 0.250 533 T C 0.928 175.799 174.700 0.285 0.000 1.074 533 T CA 1.322 63.539 62.100 0.196 0.000 0.988 533 T CB 0.119 69.058 68.868 0.119 0.000 0.988 533 T HN 0.715 nan 8.240 nan 0.000 0.530 534 T N 3.297 118.017 114.554 0.277 0.000 2.761 534 T HA 0.619 4.968 4.350 -0.000 0.000 0.296 534 T C 0.226 175.038 174.700 0.187 0.000 0.934 534 T CA -0.502 61.713 62.100 0.193 0.000 1.091 534 T CB 0.804 69.735 68.868 0.105 0.000 0.896 534 T HN 0.500 nan 8.240 nan 0.000 0.515 535 A N 3.621 126.476 122.820 0.058 0.000 2.309 535 A HA 0.683 5.003 4.320 -0.000 0.000 0.298 535 A C -0.267 177.233 177.584 -0.140 0.000 1.165 535 A CA -0.605 51.298 52.037 -0.223 0.000 0.821 535 A CB 0.642 19.472 19.000 -0.284 0.000 1.102 535 A HN 0.674 nan 8.150 nan 0.000 0.500 536 V N 2.557 122.374 119.914 -0.161 0.000 2.487 536 V HA 0.728 4.848 4.120 -0.000 0.000 0.298 536 V C 0.305 176.336 176.094 -0.105 0.000 1.028 536 V CA 0.122 62.373 62.300 -0.082 0.000 0.860 536 V CB 1.485 33.314 31.823 0.010 0.000 0.991 536 V HN 1.230 nan 8.190 nan 0.000 0.427 537 T N 0.755 115.256 114.554 -0.090 0.000 2.812 537 T HA 0.846 5.196 4.350 -0.000 0.000 0.294 537 T C 0.502 175.159 174.700 -0.072 0.000 1.159 537 T CA 0.193 62.235 62.100 -0.097 0.000 1.008 537 T CB 1.584 70.380 68.868 -0.120 0.000 1.289 537 T HN 1.748 nan 8.240 nan 0.000 0.514 538 G N 1.220 109.970 108.800 -0.084 0.000 2.596 538 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.304 538 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.304 538 G C 1.300 176.174 174.900 -0.043 0.000 1.189 538 G CA 1.313 46.372 45.100 -0.069 0.000 0.986 538 G HN 1.921 nan 8.290 nan 0.000 0.548 539 A N -0.708 122.089 122.820 -0.039 0.000 2.067 539 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 539 A C 1.874 179.442 177.584 -0.026 0.000 1.158 539 A CA 2.246 54.265 52.037 -0.029 0.000 0.661 539 A CB -0.325 18.657 19.000 -0.031 0.000 0.801 539 A HN 0.582 nan 8.150 nan 0.000 0.452 540 D N -0.303 120.077 120.400 -0.032 0.000 2.347 540 D HA 0.063 4.703 4.640 -0.000 0.000 0.215 540 D C 0.359 176.651 176.300 -0.013 0.000 0.976 540 D CA 0.474 54.453 54.000 -0.034 0.000 0.884 540 D CB 0.019 40.787 40.800 -0.053 0.000 0.915 540 D HN 0.426 nan 8.370 nan 0.000 0.526 541 I N 1.465 122.040 120.570 0.009 0.000 2.301 541 I HA -0.012 4.158 4.170 -0.000 0.000 0.292 541 I C 1.442 177.585 176.117 0.043 0.000 1.046 541 I CA -0.403 60.929 61.300 0.053 0.000 1.282 541 I CB 1.904 39.974 38.000 0.116 0.000 1.409 541 I HN -0.276 nan 8.210 nan 0.000 0.484 542 V N 6.273 126.204 119.914 0.028 0.000 2.453 542 V HA 0.013 4.133 4.120 -0.000 0.000 0.247 542 V C 0.922 177.037 176.094 0.035 0.000 1.048 542 V CA 1.336 63.646 62.300 0.016 0.000 1.049 542 V CB -0.202 31.620 31.823 -0.002 0.000 0.672 542 V HN 0.845 nan 8.190 nan 0.000 0.457 543 A N -1.635 121.218 122.820 0.055 0.000 2.574 543 A HA 0.641 4.961 4.320 -0.000 0.000 0.297 543 A C -2.090 175.580 177.584 0.144 0.000 1.062 543 A CA -0.402 51.682 52.037 0.078 0.000 0.686 543 A CB 1.738 20.757 19.000 0.032 0.000 1.285 543 A HN 0.230 nan 8.150 nan 0.000 0.403 544 W N 2.682 123.973 121.300 -0.016 0.000 3.211 544 W HA 0.561 5.221 4.660 -0.000 0.000 0.335 544 W C -1.097 175.442 176.519 0.034 0.000 1.113 544 W CA -0.229 57.114 57.345 -0.003 0.000 1.235 544 W CB 1.762 31.207 29.460 -0.024 0.000 1.365 544 W HN 1.067 nan 8.180 nan 0.000 0.476 545 E N 1.368 121.622 120.200 0.091 0.000 2.456 545 E HA 0.203 4.553 4.350 -0.000 0.000 0.278 545 E C -0.614 176.048 176.600 0.104 0.000 1.034 545 E CA -0.582 55.922 56.400 0.173 0.000 0.846 545 E CB 1.532 31.288 29.700 0.093 0.000 1.460 545 E HN 0.165 nan 8.360 nan 0.000 0.463 546 D N -0.343 120.110 120.400 0.089 0.000 2.219 546 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 546 D C 1.537 177.703 176.300 -0.223 0.000 0.970 546 D CA 2.276 56.281 54.000 0.008 0.000 0.851 546 D CB 0.243 41.037 40.800 -0.009 0.000 0.943 546 D HN 0.536 nan 8.370 nan 0.000 0.488 547 T N -3.518 110.945 114.554 -0.152 0.000 3.023 547 T HA 0.137 4.487 4.350 -0.000 0.000 0.253 547 T C 0.531 175.184 174.700 -0.079 0.000 1.038 547 T CA -0.511 61.440 62.100 -0.247 0.000 0.962 547 T CB 0.445 69.242 68.868 -0.119 0.000 1.018 547 T HN 0.094 nan 8.240 nan 0.000 0.521 548 Q N 0.138 119.993 119.800 0.093 0.000 2.320 548 Q HA 0.610 4.950 4.340 -0.000 0.000 0.272 548 Q C -2.156 173.804 176.000 -0.065 0.000 1.023 548 Q CA -0.818 55.040 55.803 0.091 0.000 0.855 548 Q CB 1.976 30.712 28.738 -0.003 0.000 1.367 548 Q HN 0.426 nan 8.270 nan 0.000 0.406 549 I N 2.554 122.978 120.570 -0.244 0.000 2.509 549 I HA 0.385 4.555 4.170 -0.000 0.000 0.293 549 I C -0.644 175.346 176.117 -0.212 0.000 1.020 549 I CA -0.648 60.411 61.300 -0.402 0.000 1.088 549 I CB 2.205 39.708 38.000 -0.829 0.000 1.267 549 I HN 0.522 nan 8.210 nan 0.000 0.430 550 Q N 4.762 124.494 119.800 -0.112 0.000 2.340 550 Q HA 0.710 5.050 4.340 -0.000 0.000 0.268 550 Q C -1.427 174.551 176.000 -0.036 0.000 1.031 550 Q CA -0.639 55.124 55.803 -0.066 0.000 0.804 550 Q CB 3.453 32.169 28.738 -0.036 0.000 1.286 550 Q HN 0.474 nan 8.270 nan 0.000 0.448 551 V N 2.448 122.347 119.914 -0.026 0.000 2.888 551 V HA 0.383 4.503 4.120 -0.000 0.000 0.309 551 V C -1.440 174.656 176.094 0.003 0.000 1.114 551 V CA -0.767 61.536 62.300 0.005 0.000 0.940 551 V CB 2.296 34.135 31.823 0.026 0.000 1.021 551 V HN 0.661 nan 8.190 nan 0.000 0.426 552 K N 5.508 125.891 120.400 -0.029 0.000 2.298 552 K HA 0.463 4.783 4.320 -0.000 0.000 0.280 552 K C -0.364 176.126 176.600 -0.183 0.000 1.032 552 K CA -0.171 56.071 56.287 -0.076 0.000 0.958 552 K CB 1.024 33.475 32.500 -0.081 0.000 0.978 552 K HN 0.582 nan 8.250 nan 0.000 0.472 553 I N 6.132 126.552 120.570 -0.251 0.000 2.598 553 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 553 I C -1.520 174.277 176.117 -0.534 0.000 1.140 553 I CA -1.524 59.424 61.300 -0.587 0.000 1.420 553 I CB 0.201 38.009 38.000 -0.320 0.000 1.387 553 I HN 0.417 nan 8.210 nan 0.000 0.553 554 P HA 0.026 nan 4.420 nan 0.000 0.272 554 P C -0.671 176.440 177.300 -0.316 0.000 1.240 554 P CA -0.515 62.330 63.100 -0.425 0.000 0.791 554 P CB 0.701 32.149 31.700 -0.420 0.000 0.978 555 A N 1.970 124.675 122.820 -0.192 0.000 3.037 555 A HA 0.374 4.694 4.320 -0.000 0.000 0.272 555 A C 0.692 178.214 177.584 -0.103 0.000 1.723 555 A CA -0.402 51.560 52.037 -0.125 0.000 1.413 555 A CB -1.477 17.476 19.000 -0.078 0.000 1.112 555 A HN 0.398 nan 8.150 nan 0.000 0.606 556 V N -1.030 118.799 119.914 -0.142 0.000 2.966 556 V HA 0.699 4.819 4.120 -0.000 0.000 0.317 556 V C -2.263 173.849 176.094 0.030 0.000 1.070 556 V CA -2.444 59.813 62.300 -0.073 0.000 1.008 556 V CB 0.902 32.597 31.823 -0.214 0.000 1.070 556 V HN 0.500 nan 8.190 nan 0.000 0.457 557 P HA 0.203 nan 4.420 nan 0.000 0.269 557 P C 0.348 177.785 177.300 0.229 0.000 1.215 557 P CA 0.385 63.574 63.100 0.149 0.000 0.780 557 P CB 0.273 32.059 31.700 0.144 0.000 0.898 558 G N 0.156 109.051 108.800 0.160 0.000 2.484 558 G HA2 0.443 4.403 3.960 -0.000 0.000 0.235 558 G HA3 0.443 4.403 3.960 -0.000 0.000 0.235 558 G C 0.272 175.290 174.900 0.195 0.000 1.282 558 G CA 0.451 45.657 45.100 0.176 0.000 0.857 558 G HN 0.849 nan 8.290 nan 0.000 0.571 559 G N 0.087 109.020 108.800 0.222 0.000 2.345 559 G HA2 0.334 4.294 3.960 -0.000 0.000 0.285 559 G HA3 0.334 4.294 3.960 -0.000 0.000 0.285 559 G C -1.417 173.530 174.900 0.079 0.000 1.297 559 G CA -0.932 44.207 45.100 0.065 0.000 0.875 559 G HN 0.622 nan 8.290 nan 0.000 0.506 560 I N 0.817 121.322 120.570 -0.108 0.000 2.336 560 I HA 0.576 4.746 4.170 -0.000 0.000 0.292 560 I C -0.817 175.215 176.117 -0.142 0.000 0.991 560 I CA -0.884 60.416 61.300 0.001 0.000 1.227 560 I CB 0.630 38.623 38.000 -0.011 0.000 1.366 560 I HN 0.452 nan 8.210 nan 0.000 0.466 561 Y N 3.068 123.517 120.300 0.248 0.000 2.536 561 Y HA 0.394 4.944 4.550 -0.000 0.000 0.347 561 Y C 0.235 176.252 175.900 0.195 0.000 1.000 561 Y CA -1.003 57.237 58.100 0.233 0.000 1.051 561 Y CB 1.469 40.124 38.460 0.325 0.000 1.259 561 Y HN 0.447 nan 8.280 nan 0.000 0.468 562 D N 2.331 122.891 120.400 0.266 0.000 2.255 562 D HA 0.312 4.952 4.640 -0.000 0.000 0.249 562 D C -0.489 175.860 176.300 0.080 0.000 1.078 562 D CA 0.047 54.141 54.000 0.156 0.000 0.896 562 D CB 1.622 42.480 40.800 0.096 0.000 1.194 562 D HN 0.190 nan 8.370 nan 0.000 0.429 563 I N 1.526 122.098 120.570 0.004 0.000 2.460 563 I HA 0.408 4.578 4.170 -0.000 0.000 0.298 563 I C 0.373 176.449 176.117 -0.067 0.000 0.989 563 I CA -0.544 60.633 61.300 -0.205 0.000 1.173 563 I CB 1.346 39.161 38.000 -0.308 0.000 1.338 563 I HN 0.265 nan 8.210 nan 0.000 0.456 564 R N 3.215 123.675 120.500 -0.067 0.000 2.707 564 R HA 0.779 5.119 4.340 -0.000 0.000 0.272 564 R C -1.942 174.391 176.300 0.054 0.000 1.011 564 R CA -0.521 55.595 56.100 0.027 0.000 0.893 564 R CB 2.461 32.794 30.300 0.056 0.000 1.233 564 R HN 0.393 nan 8.270 nan 0.000 0.464 565 V N 1.940 121.879 119.914 0.043 0.000 2.680 565 V HA 0.809 4.929 4.120 -0.000 0.000 0.309 565 V C -0.804 175.393 176.094 0.172 0.000 1.052 565 V CA -0.624 61.690 62.300 0.024 0.000 0.908 565 V CB 1.831 33.502 31.823 -0.254 0.000 1.001 565 V HN 0.909 nan 8.190 nan 0.000 0.431 566 A N 3.737 126.710 122.820 0.255 0.000 2.343 566 A HA 0.782 5.102 4.320 -0.000 0.000 0.316 566 A C -0.173 177.578 177.584 0.277 0.000 1.104 566 A CA -0.769 51.417 52.037 0.247 0.000 0.768 566 A CB 0.880 20.043 19.000 0.272 0.000 1.213 566 A HN 0.948 nan 8.150 nan 0.000 0.456 567 N N 1.712 120.568 118.700 0.260 0.000 2.327 567 N HA 0.359 5.099 4.740 -0.000 0.000 0.257 567 N C 1.082 176.619 175.510 0.045 0.000 1.281 567 N CA 0.097 53.312 53.050 0.276 0.000 0.942 567 N CB 0.278 38.928 38.487 0.273 0.000 1.199 567 N HN 0.583 nan 8.380 nan 0.000 0.532 568 A N -1.190 121.589 122.820 -0.067 0.000 2.125 568 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 568 A C 1.842 179.398 177.584 -0.047 0.000 1.156 568 A CA 1.624 53.583 52.037 -0.129 0.000 0.671 568 A CB -1.269 17.632 19.000 -0.164 0.000 0.794 568 A HN 0.854 nan 8.150 nan 0.000 0.459 569 A N -1.890 120.932 122.820 0.003 0.000 2.278 569 A HA 0.431 4.751 4.320 -0.000 0.000 0.212 569 A C 1.777 179.377 177.584 0.026 0.000 1.213 569 A CA 1.069 53.114 52.037 0.013 0.000 0.840 569 A CB -0.878 18.138 19.000 0.026 0.000 0.866 569 A HN 1.782 nan 8.150 nan 0.000 0.489 570 G N -1.631 107.191 108.800 0.037 0.000 2.179 570 G HA2 0.006 3.965 3.960 -0.000 0.000 0.260 570 G HA3 0.006 3.965 3.960 -0.000 0.000 0.260 570 G C 0.491 175.434 174.900 0.072 0.000 0.977 570 G CA 0.335 45.470 45.100 0.058 0.000 0.641 570 G HN 1.663 nan 8.290 nan 0.000 0.533 571 A N 0.135 122.999 122.820 0.073 0.000 2.454 571 A HA 0.803 5.123 4.320 -0.000 0.000 0.260 571 A C 0.772 178.414 177.584 0.097 0.000 1.106 571 A CA 1.073 53.153 52.037 0.071 0.000 0.780 571 A CB 0.527 19.567 19.000 0.066 0.000 1.044 571 A HN 2.038 nan 8.150 nan 0.000 0.498 572 A N 2.719 125.586 122.820 0.077 0.000 2.303 572 A HA 0.694 5.014 4.320 -0.000 0.000 0.317 572 A C 0.801 178.425 177.584 0.067 0.000 1.149 572 A CA 0.099 52.186 52.037 0.083 0.000 0.822 572 A CB 0.387 19.412 19.000 0.042 0.000 1.131 572 A HN 1.699 nan 8.150 nan 0.000 0.493 573 S N 1.851 117.598 115.700 0.079 0.000 2.661 573 S HA 0.302 4.772 4.470 -0.000 0.000 0.265 573 S C 0.330 174.958 174.600 0.047 0.000 1.225 573 S CA -0.547 57.694 58.200 0.069 0.000 0.986 573 S CB 0.147 63.404 63.200 0.096 0.000 1.008 573 S HN 0.929 nan 8.310 nan 0.000 0.565 574 N N 0.011 118.740 118.700 0.049 0.000 2.415 574 N HA 0.094 4.833 4.740 -0.000 0.000 0.248 574 N C -0.448 175.109 175.510 0.079 0.000 1.271 574 N CA -0.270 52.813 53.050 0.056 0.000 0.913 574 N CB -0.091 38.438 38.487 0.069 0.000 1.129 574 N HN 0.694 nan 8.380 nan 0.000 0.444 575 I N 0.696 121.305 120.570 0.066 0.000 2.474 575 I HA 0.029 4.199 4.170 -0.000 0.000 0.287 575 I C -0.492 175.700 176.117 0.125 0.000 1.048 575 I CA -0.463 60.880 61.300 0.072 0.000 1.383 575 I CB 0.284 38.306 38.000 0.036 0.000 1.412 575 I HN 0.483 nan 8.210 nan 0.000 0.531 576 Y N 6.924 127.231 120.300 0.011 0.000 2.402 576 Y HA 0.196 4.746 4.550 0.000 0.000 0.332 576 Y C 0.119 176.052 175.900 0.055 0.000 0.960 576 Y CA -0.946 57.175 58.100 0.035 0.000 1.228 576 Y CB 0.397 38.867 38.460 0.017 0.000 1.120 576 Y HN 0.624 nan 8.280 nan 0.000 0.491 577 D N 2.227 122.593 120.400 -0.056 0.000 2.478 577 D HA 0.109 4.749 4.640 -0.000 0.000 0.269 577 D C 0.031 176.379 176.300 0.079 0.000 1.232 577 D CA -0.456 53.562 54.000 0.031 0.000 1.059 577 D CB 0.484 41.274 40.800 -0.015 0.000 1.104 577 D HN 0.578 nan 8.370 nan 0.000 0.566 578 N N -2.228 116.536 118.700 0.106 0.000 2.735 578 N HA -0.241 4.499 4.740 -0.000 0.000 0.248 578 N C -1.300 174.317 175.510 0.179 0.000 1.083 578 N CA 0.199 53.313 53.050 0.107 0.000 0.703 578 N CB -1.905 36.607 38.487 0.041 0.000 1.005 578 N HN 0.428 nan 8.380 nan 0.000 0.550 579 F N 1.197 121.246 119.950 0.165 0.000 2.410 579 F HA 0.363 4.890 4.527 -0.000 0.000 0.348 579 F C 0.648 176.589 175.800 0.234 0.000 1.106 579 F CA -0.551 57.575 58.000 0.210 0.000 1.163 579 F CB 0.808 39.955 39.000 0.245 0.000 1.129 579 F HN 0.169 nan 8.300 nan 0.000 0.516 580 E N 5.694 125.632 120.200 -0.436 0.000 2.113 580 E HA 0.395 4.745 4.350 -0.000 0.000 0.273 580 E C -1.531 175.003 176.600 -0.110 0.000 0.924 580 E CA -0.750 55.574 56.400 -0.126 0.000 0.764 580 E CB 1.280 30.901 29.700 -0.132 0.000 1.104 580 E HN 0.523 nan 8.360 nan 0.000 0.406 581 V N 6.405 126.485 119.914 0.276 0.000 2.432 581 V HA 0.196 4.316 4.120 -0.000 0.000 0.275 581 V C 0.409 176.585 176.094 0.138 0.000 1.043 581 V CA -0.438 62.024 62.300 0.270 0.000 0.925 581 V CB 0.842 32.846 31.823 0.301 0.000 0.985 581 V HN 0.695 nan 8.190 nan 0.000 0.466 582 L N 3.920 125.182 121.223 0.065 0.000 2.418 582 L HA 0.269 4.609 4.340 -0.000 0.000 0.265 582 L C 1.705 178.603 176.870 0.046 0.000 1.143 582 L CA -0.216 54.647 54.840 0.038 0.000 0.809 582 L CB 0.883 42.944 42.059 0.004 0.000 1.124 582 L HN 0.660 nan 8.230 nan 0.000 0.456 583 T N 0.421 114.999 114.554 0.040 0.000 2.929 583 T HA 0.089 4.439 4.350 -0.000 0.000 0.271 583 T C 0.652 175.366 174.700 0.023 0.000 1.085 583 T CA 1.021 63.143 62.100 0.035 0.000 1.125 583 T CB -0.019 68.868 68.868 0.031 0.000 0.874 583 T HN 0.914 nan 8.240 nan 0.000 0.494 584 G N 0.065 108.875 108.800 0.016 0.000 2.360 584 G HA2 0.274 4.234 3.960 -0.000 0.000 0.276 584 G HA3 0.274 4.234 3.960 -0.000 0.000 0.276 584 G C -2.142 172.759 174.900 0.003 0.000 1.256 584 G CA -0.904 44.201 45.100 0.009 0.000 0.890 584 G HN 0.022 nan 8.290 nan 0.000 0.486 585 D N 0.938 121.338 120.400 0.001 0.000 2.400 585 D HA 0.342 4.982 4.640 -0.000 0.000 0.238 585 D C 0.081 176.380 176.300 -0.003 0.000 1.157 585 D CA 0.533 54.530 54.000 -0.006 0.000 0.889 585 D CB 0.830 41.629 40.800 -0.002 0.000 1.199 585 D HN 0.213 nan 8.370 nan 0.000 0.436 586 Q N 0.254 120.045 119.800 -0.015 0.000 2.301 586 Q HA 0.600 4.940 4.340 -0.000 0.000 0.267 586 Q C -0.281 175.722 176.000 0.006 0.000 1.035 586 Q CA -0.969 54.830 55.803 -0.007 0.000 0.856 586 Q CB 2.251 30.967 28.738 -0.037 0.000 1.337 586 Q HN 0.335 nan 8.270 nan 0.000 0.450 587 V N -2.076 117.862 119.914 0.039 0.000 3.049 587 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 587 V C -0.415 175.739 176.094 0.102 0.000 1.148 587 V CA -0.864 61.477 62.300 0.069 0.000 0.990 587 V CB 2.014 33.888 31.823 0.086 0.000 1.039 587 V HN 0.663 nan 8.190 nan 0.000 0.430 588 T N 2.437 117.078 114.554 0.146 0.000 2.767 588 T HA 0.685 5.035 4.350 -0.000 0.000 0.284 588 T C -0.354 174.452 174.700 0.177 0.000 0.973 588 T CA -0.317 61.898 62.100 0.192 0.000 0.996 588 T CB 1.380 70.424 68.868 0.293 0.000 0.927 588 T HN 0.709 nan 8.240 nan 0.000 0.456 589 V N 3.660 123.660 119.914 0.142 0.000 2.555 589 V HA 0.505 4.625 4.120 -0.000 0.000 0.302 589 V C 0.210 176.293 176.094 -0.019 0.000 1.038 589 V CA -1.093 61.194 62.300 -0.021 0.000 0.887 589 V CB 1.895 33.604 31.823 -0.190 0.000 0.991 589 V HN 0.745 nan 8.190 nan 0.000 0.434 590 R N 3.588 124.054 120.500 -0.057 0.000 2.221 590 R HA 0.468 4.808 4.340 -0.000 0.000 0.327 590 R C -1.505 174.733 176.300 -0.103 0.000 1.033 590 R CA -0.243 55.904 56.100 0.079 0.000 0.887 590 R CB 0.450 30.841 30.300 0.152 0.000 1.057 590 R HN 0.523 nan 8.270 nan 0.000 0.455 591 F N 4.044 124.074 119.950 0.134 0.000 2.415 591 F HA 0.384 4.911 4.527 0.000 0.000 0.348 591 F C -0.239 175.664 175.800 0.172 0.000 1.119 591 F CA -0.700 57.388 58.000 0.146 0.000 1.069 591 F CB 1.964 41.101 39.000 0.229 0.000 1.124 591 F HN 0.111 nan 8.300 nan 0.000 0.472 592 V N 5.543 125.569 119.914 0.187 0.000 2.531 592 V HA 0.466 4.586 4.120 -0.000 0.000 0.301 592 V C -0.672 175.365 176.094 -0.094 0.000 1.034 592 V CA -0.820 61.451 62.300 -0.049 0.000 0.865 592 V CB 2.075 33.677 31.823 -0.369 0.000 0.995 592 V HN 0.671 nan 8.190 nan 0.000 0.424 593 I N 4.859 125.337 120.570 -0.154 0.000 2.466 593 I HA 0.552 4.721 4.170 -0.000 0.000 0.289 593 I C -0.513 175.558 176.117 -0.077 0.000 1.026 593 I CA -0.306 60.842 61.300 -0.253 0.000 1.078 593 I CB 1.574 39.125 38.000 -0.749 0.000 1.249 593 I HN 0.599 nan 8.210 nan 0.000 0.429 594 N N 5.814 124.486 118.700 -0.047 0.000 2.482 594 N HA 0.327 5.067 4.740 -0.000 0.000 0.279 594 N C -0.322 175.205 175.510 0.029 0.000 1.182 594 N CA -0.381 52.668 53.050 -0.002 0.000 0.969 594 N CB 0.802 39.287 38.487 -0.002 0.000 1.201 594 N HN 0.621 nan 8.380 nan 0.000 0.523 595 N N -1.065 117.630 118.700 -0.008 0.000 2.754 595 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 595 N C -1.026 174.441 175.510 -0.071 0.000 1.093 595 N CA 0.604 53.639 53.050 -0.025 0.000 0.699 595 N CB -1.411 37.101 38.487 0.042 0.000 1.016 595 N HN 0.667 nan 8.380 nan 0.000 0.552 596 A N 0.258 123.008 122.820 -0.117 0.000 2.838 596 A HA 0.485 4.805 4.320 -0.000 0.000 0.337 596 A C 0.811 178.273 177.584 -0.202 0.000 1.383 596 A CA -0.154 51.688 52.037 -0.324 0.000 0.985 596 A CB 0.035 18.831 19.000 -0.340 0.000 1.157 596 A HN 0.271 nan 8.150 nan 0.000 0.497 597 T N 0.305 114.720 114.554 -0.232 0.000 2.913 597 T HA 0.584 4.934 4.350 -0.000 0.000 0.297 597 T C 0.384 175.116 174.700 0.053 0.000 1.029 597 T CA 0.266 62.352 62.100 -0.023 0.000 1.104 597 T CB 1.022 69.881 68.868 -0.015 0.000 0.964 597 T HN 0.894 nan 8.240 nan 0.000 0.532 598 T N -1.101 113.634 114.554 0.302 0.000 2.865 598 T HA 0.794 5.144 4.350 -0.000 0.000 0.294 598 T C 0.003 174.776 174.700 0.123 0.000 1.119 598 T CA -0.774 61.413 62.100 0.146 0.000 1.007 598 T CB 1.404 70.395 68.868 0.205 0.000 1.225 598 T HN 1.034 nan 8.240 nan 0.000 0.515 599 A N 0.668 123.522 122.820 0.055 0.000 2.257 599 A HA 0.739 5.059 4.320 -0.000 0.000 0.290 599 A C 0.001 177.602 177.584 0.029 0.000 1.201 599 A CA -0.812 51.245 52.037 0.034 0.000 0.863 599 A CB -0.060 18.951 19.000 0.018 0.000 1.256 599 A HN 1.035 nan 8.150 nan 0.000 0.506 600 L N 0.310 121.540 121.223 0.012 0.000 2.410 600 L HA 0.485 4.825 4.340 -0.000 0.000 0.273 600 L C 1.211 178.094 176.870 0.023 0.000 1.144 600 L CA 1.889 56.733 54.840 0.007 0.000 0.863 600 L CB 0.203 42.262 42.059 -0.001 0.000 1.140 600 L HN 1.563 nan 8.230 nan 0.000 0.463 601 G N 2.735 111.557 108.800 0.036 0.000 2.159 601 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.256 601 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.256 601 G C 0.205 175.144 174.900 0.065 0.000 0.977 601 G CA 0.427 45.557 45.100 0.049 0.000 0.652 601 G HN 0.813 nan 8.290 nan 0.000 0.531 602 Q N 0.084 119.925 119.800 0.069 0.000 2.293 602 Q HA 0.617 4.957 4.340 -0.000 0.000 0.261 602 Q C -0.184 175.860 176.000 0.073 0.000 0.960 602 Q CA -0.610 55.226 55.803 0.056 0.000 0.882 602 Q CB 0.611 29.361 28.738 0.020 0.000 1.275 602 Q HN 0.492 nan 8.270 nan 0.000 0.445 603 N N 0.893 119.612 118.700 0.031 0.000 2.380 603 N HA 0.526 5.265 4.740 -0.000 0.000 0.290 603 N C -1.593 173.649 175.510 -0.448 0.000 1.236 603 N CA -0.661 52.283 53.050 -0.176 0.000 0.780 603 N CB 2.155 40.581 38.487 -0.101 0.000 1.438 603 N HN 0.234 nan 8.380 nan 0.000 0.491 604 V N 1.602 120.866 119.914 -1.084 0.000 2.539 604 V HA 0.551 4.671 4.120 -0.000 0.000 0.292 604 V C -0.895 174.832 176.094 -0.612 0.000 1.045 604 V CA -0.145 61.688 62.300 -0.777 0.000 0.945 604 V CB 0.404 31.471 31.823 -1.259 0.000 0.993 604 V HN 0.490 nan 8.190 nan 0.000 0.464 605 F N 3.339 123.155 119.950 -0.222 0.000 2.640 605 F HA 0.770 5.297 4.527 -0.000 0.000 0.324 605 F C -0.442 175.296 175.800 -0.102 0.000 1.077 605 F CA -0.940 56.940 58.000 -0.200 0.000 0.965 605 F CB 1.855 40.720 39.000 -0.225 0.000 1.351 605 F HN 0.320 nan 8.300 nan 0.000 0.487 606 L N 0.634 121.854 121.223 -0.004 0.000 2.386 606 L HA 0.855 5.194 4.340 -0.000 0.000 0.271 606 L C -0.627 176.114 176.870 -0.215 0.000 0.993 606 L CA 0.158 54.852 54.840 -0.244 0.000 0.819 606 L CB 2.028 43.801 42.059 -0.476 0.000 1.294 606 L HN 0.657 nan 8.230 nan 0.000 0.414 607 T N 2.254 116.689 114.554 -0.197 0.000 2.816 607 T HA 0.939 5.289 4.350 -0.000 0.000 0.299 607 T C -0.719 173.813 174.700 -0.279 0.000 1.230 607 T CA 0.006 62.010 62.100 -0.160 0.000 1.007 607 T CB 1.537 70.409 68.868 0.006 0.000 1.289 607 T HN 1.140 nan 8.240 nan 0.000 0.508 608 G N 1.118 109.561 108.800 -0.594 0.000 2.490 608 G HA2 0.321 4.281 3.960 -0.000 0.000 0.308 608 G HA3 0.321 4.281 3.960 -0.000 0.000 0.308 608 G C -0.663 173.400 174.900 -1.396 0.000 1.286 608 G CA -0.140 44.250 45.100 -1.183 0.000 0.825 608 G HN 0.764 nan 8.290 nan 0.000 0.479 609 N N -0.508 117.553 118.700 -1.065 0.000 2.322 609 N HA 0.160 4.900 4.740 -0.000 0.000 0.216 609 N C 0.272 175.635 175.510 -0.244 0.000 1.144 609 N CA 0.470 53.136 53.050 -0.641 0.000 0.830 609 N CB 0.271 38.699 38.487 -0.099 0.000 1.034 609 N HN 0.946 nan 8.380 nan 0.000 0.484 610 V N -3.779 116.004 119.914 -0.218 0.000 3.102 610 V HA 0.505 4.625 4.120 -0.000 0.000 0.312 610 V C 1.235 177.279 176.094 -0.083 0.000 1.135 610 V CA -0.495 61.752 62.300 -0.089 0.000 1.022 610 V CB 1.178 32.976 31.823 -0.042 0.000 1.056 610 V HN 0.052 nan 8.190 nan 0.000 0.436 611 S N -0.059 115.625 115.700 -0.027 0.000 2.419 611 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 611 S C 1.319 175.906 174.600 -0.021 0.000 1.016 611 S CA 1.501 59.692 58.200 -0.016 0.000 0.974 611 S CB -0.560 62.654 63.200 0.023 0.000 0.786 611 S HN 0.891 nan 8.310 nan 0.000 0.492 612 E N 1.343 121.534 120.200 -0.015 0.000 2.204 612 E HA 0.092 4.442 4.350 -0.000 0.000 0.195 612 E C 1.375 177.955 176.600 -0.034 0.000 0.990 612 E CA 0.733 57.131 56.400 -0.003 0.000 0.821 612 E CB -0.305 29.403 29.700 0.014 0.000 0.750 612 E HN 0.544 nan 8.360 nan 0.000 0.477 613 L N -1.227 119.940 121.223 -0.093 0.000 2.700 613 L HA 0.299 4.639 4.340 -0.000 0.000 0.234 613 L C 1.003 177.788 176.870 -0.142 0.000 1.156 613 L CA 0.208 54.956 54.840 -0.153 0.000 0.946 613 L CB 0.308 42.218 42.059 -0.248 0.000 1.216 613 L HN 0.317 nan 8.230 nan 0.000 0.493 614 G N 0.248 108.993 108.800 -0.091 0.000 2.157 614 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.248 614 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.248 614 G C 0.386 175.257 174.900 -0.047 0.000 0.979 614 G CA 0.128 45.194 45.100 -0.057 0.000 0.650 614 G HN 0.561 nan 8.290 nan 0.000 0.529 615 N N -1.390 117.240 118.700 -0.116 0.000 2.699 615 N HA -0.242 4.498 4.740 -0.000 0.000 0.256 615 N C 0.923 176.480 175.510 0.078 0.000 0.993 615 N CA 1.314 54.302 53.050 -0.103 0.000 0.759 615 N CB -1.168 37.321 38.487 0.004 0.000 0.906 615 N HN 1.015 nan 8.380 nan 0.000 0.541 616 W N -3.281 118.068 121.300 0.081 0.000 2.589 616 W HA -0.273 4.387 4.660 -0.000 0.000 0.272 616 W C 0.386 177.018 176.519 0.187 0.000 1.060 616 W CA 0.287 57.722 57.345 0.150 0.000 0.533 616 W CB -1.198 28.313 29.460 0.085 0.000 2.084 616 W HN 0.353 nan 8.180 nan 0.000 1.371 617 D N 0.104 120.662 120.400 0.264 0.000 2.316 617 D HA 0.196 4.836 4.640 -0.000 0.000 0.245 617 D C -0.961 175.391 176.300 0.088 0.000 1.171 617 D CA -2.112 51.993 54.000 0.175 0.000 0.856 617 D CB 1.317 42.170 40.800 0.088 0.000 1.090 617 D HN -0.210 nan 8.370 nan 0.000 0.476 618 P HA -0.123 nan 4.420 nan 0.000 0.216 618 P C 0.598 177.777 177.300 -0.201 0.000 1.150 618 P CA 1.122 64.131 63.100 -0.151 0.000 0.843 618 P CB 0.238 31.841 31.700 -0.162 0.000 0.787 619 N N -1.290 117.342 118.700 -0.114 0.000 2.453 619 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 619 N C 0.626 176.076 175.510 -0.101 0.000 1.041 619 N CA 0.887 53.866 53.050 -0.119 0.000 0.900 619 N CB -0.538 37.911 38.487 -0.065 0.000 0.961 619 N HN 0.243 nan 8.380 nan 0.000 0.443 620 N N -0.483 118.173 118.700 -0.074 0.000 2.282 620 N HA 0.289 5.028 4.740 -0.000 0.000 0.240 620 N C -0.825 174.651 175.510 -0.056 0.000 1.182 620 N CA -0.342 52.677 53.050 -0.052 0.000 0.874 620 N CB 0.810 39.281 38.487 -0.027 0.000 1.126 620 N HN 0.106 nan 8.380 nan 0.000 0.516 621 A N 0.698 123.461 122.820 -0.096 0.000 2.406 621 A HA 0.265 4.584 4.320 -0.000 0.000 0.243 621 A C 0.156 177.771 177.584 0.052 0.000 1.082 621 A CA -0.067 51.933 52.037 -0.061 0.000 0.786 621 A CB 0.292 19.202 19.000 -0.150 0.000 1.029 621 A HN 0.128 nan 8.150 nan 0.000 0.495 622 I N 1.428 122.011 120.570 0.022 0.000 2.416 622 I HA 0.555 4.725 4.170 -0.000 0.000 0.288 622 I C 0.992 177.033 176.117 -0.127 0.000 1.051 622 I CA 1.258 62.544 61.300 -0.023 0.000 1.375 622 I CB -0.363 37.602 38.000 -0.058 0.000 1.407 622 I HN 1.031 nan 8.210 nan 0.000 0.516 623 G N 8.371 116.990 108.800 -0.301 0.000 2.320 623 G HA2 0.077 4.037 3.960 -0.000 0.000 0.274 623 G HA3 0.077 4.037 3.960 -0.000 0.000 0.274 623 G C -3.123 171.459 174.900 -0.529 0.000 1.324 623 G CA -0.872 43.735 45.100 -0.821 0.000 0.957 623 G HN 0.431 nan 8.290 nan 0.000 0.481 624 P HA 0.333 nan 4.420 nan 0.000 0.268 624 P C 0.368 177.156 177.300 -0.854 0.000 1.204 624 P CA 0.092 62.520 63.100 -1.120 0.000 0.768 624 P CB 0.454 31.788 31.700 -0.609 0.000 0.842 625 M N 2.076 121.202 119.600 -0.791 0.000 2.113 625 M HA 0.128 4.608 4.480 -0.000 0.000 0.288 625 M C 0.289 176.587 176.300 -0.003 0.000 1.225 625 M CA 0.421 55.368 55.300 -0.588 0.000 1.148 625 M CB -0.084 32.401 32.600 -0.193 0.000 1.388 625 M HN 0.275 nan 8.290 nan 0.000 0.469 626 Y N 0.966 121.244 120.300 -0.038 0.000 2.432 626 Y HA 0.290 4.840 4.550 -0.000 0.000 0.322 626 Y C 0.541 176.235 175.900 -0.343 0.000 1.246 626 Y CA -1.516 56.426 58.100 -0.262 0.000 1.268 626 Y CB 0.642 38.748 38.460 -0.590 0.000 1.276 626 Y HN 0.704 nan 8.280 nan 0.000 0.499 627 N N -1.560 117.066 118.700 -0.122 0.000 2.330 627 N HA 0.082 4.822 4.740 -0.000 0.000 0.249 627 N C -0.444 175.032 175.510 -0.055 0.000 1.413 627 N CA -0.105 52.836 53.050 -0.182 0.000 0.817 627 N CB -0.129 37.830 38.487 -0.880 0.000 1.362 627 N HN 0.654 nan 8.380 nan 0.000 0.499 628 Q N -0.549 119.267 119.800 0.027 0.000 2.619 628 Q HA 0.318 4.658 4.340 -0.000 0.000 0.230 628 Q C 1.063 177.021 176.000 -0.071 0.000 0.871 628 Q CA 0.472 56.251 55.803 -0.040 0.000 0.934 628 Q CB 0.800 29.487 28.738 -0.084 0.000 1.183 628 Q HN 0.098 nan 8.270 nan 0.000 0.631 629 V N 0.305 120.156 119.914 -0.105 0.000 2.326 629 V HA -0.095 4.025 4.120 -0.000 0.000 0.237 629 V C 2.077 177.782 176.094 -0.647 0.000 1.044 629 V CA 1.113 63.203 62.300 -0.350 0.000 1.035 629 V CB -0.327 31.266 31.823 -0.383 0.000 0.675 629 V HN 0.087 nan 8.190 nan 0.000 0.470 630 V N -1.656 117.712 119.914 -0.909 0.000 2.453 630 V HA -0.058 4.062 4.120 -0.000 0.000 0.247 630 V C 0.683 176.151 176.094 -1.044 0.000 1.048 630 V CA 1.419 62.999 62.300 -1.200 0.000 1.049 630 V CB -0.547 30.372 31.823 -1.506 0.000 0.672 630 V HN 0.492 nan 8.190 nan 0.000 0.457 631 Y N -1.587 118.346 120.300 -0.611 0.000 2.605 631 Y HA 0.688 5.238 4.550 -0.000 0.000 0.343 631 Y C -0.253 175.609 175.900 -0.064 0.000 1.036 631 Y CA -1.168 56.794 58.100 -0.230 0.000 1.065 631 Y CB 1.681 40.071 38.460 -0.117 0.000 1.288 631 Y HN -0.039 nan 8.280 nan 0.000 0.481 632 Q N 0.320 120.182 119.800 0.104 0.000 2.377 632 Q HA 0.311 4.651 4.340 -0.000 0.000 0.271 632 Q C -1.500 174.503 176.000 0.005 0.000 1.077 632 Q CA -1.022 54.803 55.803 0.036 0.000 0.820 632 Q CB 1.764 30.508 28.738 0.010 0.000 1.347 632 Q HN 0.568 nan 8.270 nan 0.000 0.444 633 Y N 4.204 124.381 120.300 -0.205 0.000 2.987 633 Y HA -0.051 4.499 4.550 -0.000 0.000 0.339 633 Y C -1.242 174.599 175.900 -0.098 0.000 1.272 633 Y CA -0.324 57.613 58.100 -0.272 0.000 1.562 633 Y CB 0.718 38.981 38.460 -0.329 0.000 1.253 633 Y HN 0.552 nan 8.280 nan 0.000 0.604 634 P HA 0.059 nan 4.420 nan 0.000 0.249 634 P C -0.692 176.449 177.300 -0.265 0.000 1.544 634 P CA 0.075 62.582 63.100 -0.989 0.000 0.932 634 P CB -0.049 31.109 31.700 -0.903 0.000 1.524 635 T N 0.719 115.188 114.554 -0.142 0.000 2.845 635 T HA 0.327 4.676 4.350 -0.000 0.000 0.288 635 T C -0.657 174.085 174.700 0.069 0.000 0.980 635 T CA 0.112 62.230 62.100 0.031 0.000 1.071 635 T CB 0.671 69.567 68.868 0.048 0.000 0.941 635 T HN 0.042 nan 8.240 nan 0.000 0.487 636 W N 2.744 124.039 121.300 -0.008 0.000 2.719 636 W HA 0.658 5.318 4.660 -0.000 0.000 0.352 636 W C -0.737 175.851 176.519 0.115 0.000 1.085 636 W CA -0.890 56.492 57.345 0.063 0.000 1.187 636 W CB 0.971 30.412 29.460 -0.031 0.000 1.417 636 W HN 0.707 nan 8.180 nan 0.000 0.557 637 Y N -0.733 119.744 120.300 0.296 0.000 2.638 637 Y HA 0.783 5.333 4.550 0.000 0.000 0.335 637 Y C -1.965 174.183 175.900 0.414 0.000 1.155 637 Y CA -2.700 55.547 58.100 0.244 0.000 1.046 637 Y CB 1.493 40.052 38.460 0.165 0.000 1.303 637 Y HN 0.564 nan 8.280 nan 0.000 0.460 638 Y N 0.374 120.809 120.300 0.225 0.000 2.573 638 Y HA 0.343 4.893 4.550 -0.000 0.000 0.328 638 Y C -1.798 174.290 175.900 0.314 0.000 1.170 638 Y CA -1.118 57.051 58.100 0.114 0.000 1.078 638 Y CB 1.840 40.285 38.460 -0.026 0.000 1.341 638 Y HN 0.779 nan 8.280 nan 0.000 0.459 639 D N 3.691 124.133 120.400 0.071 0.000 2.329 639 D HA 0.505 5.145 4.640 -0.000 0.000 0.232 639 D C -1.115 175.291 176.300 0.177 0.000 1.088 639 D CA 0.047 54.175 54.000 0.214 0.000 0.835 639 D CB 2.043 43.013 40.800 0.283 0.000 1.078 639 D HN 0.199 nan 8.370 nan 0.000 0.495 640 V N 1.281 121.379 119.914 0.307 0.000 2.588 640 V HA 0.288 4.408 4.120 -0.000 0.000 0.304 640 V C 0.304 176.547 176.094 0.249 0.000 1.042 640 V CA -0.900 61.580 62.300 0.300 0.000 0.877 640 V CB 2.105 34.138 31.823 0.349 0.000 0.996 640 V HN 0.451 nan 8.190 nan 0.000 0.425 641 S N 3.649 119.460 115.700 0.186 0.000 2.448 641 S HA 0.579 5.049 4.470 -0.000 0.000 0.279 641 S C -0.387 174.281 174.600 0.113 0.000 1.195 641 S CA -0.397 57.873 58.200 0.117 0.000 1.051 641 S CB 0.182 63.414 63.200 0.055 0.000 0.948 641 S HN 0.942 nan 8.310 nan 0.000 0.493 642 V N 3.437 123.420 119.914 0.115 0.000 3.040 642 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 642 V C -2.765 173.374 176.094 0.075 0.000 1.115 642 V CA -2.846 59.517 62.300 0.104 0.000 0.998 642 V CB 1.655 33.579 31.823 0.167 0.000 1.042 642 V HN 0.632 nan 8.190 nan 0.000 0.433 643 P HA 0.261 nan 4.420 nan 0.000 0.268 643 P C -0.234 177.093 177.300 0.044 0.000 1.205 643 P CA 0.448 63.572 63.100 0.040 0.000 0.771 643 P CB 0.917 32.636 31.700 0.033 0.000 0.858 644 A N 2.703 125.541 122.820 0.030 0.000 2.340 644 A HA 0.530 4.850 4.320 -0.000 0.000 0.268 644 A C 1.315 178.905 177.584 0.010 0.000 1.100 644 A CA 0.201 52.253 52.037 0.024 0.000 0.803 644 A CB -0.855 18.156 19.000 0.019 0.000 1.043 644 A HN 0.829 nan 8.150 nan 0.000 0.488 645 G N 0.060 108.857 108.800 -0.005 0.000 2.273 645 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.280 645 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.280 645 G C -0.013 174.875 174.900 -0.021 0.000 1.047 645 G CA 0.881 45.969 45.100 -0.020 0.000 0.869 645 G HN 1.183 nan 8.290 nan 0.000 0.502 646 Q N -0.725 119.063 119.800 -0.021 0.000 2.421 646 Q HA 0.629 4.969 4.340 -0.000 0.000 0.280 646 Q C -0.564 175.431 176.000 -0.007 0.000 1.085 646 Q CA -0.626 55.175 55.803 -0.002 0.000 0.807 646 Q CB 1.526 30.276 28.738 0.020 0.000 1.405 646 Q HN 0.155 nan 8.270 nan 0.000 0.419 647 T N 4.077 118.640 114.554 0.015 0.000 2.728 647 T HA 0.434 4.784 4.350 -0.000 0.000 0.296 647 T C 0.063 174.827 174.700 0.107 0.000 0.940 647 T CA -0.374 61.752 62.100 0.045 0.000 1.013 647 T CB -0.224 68.671 68.868 0.045 0.000 0.912 647 T HN 0.471 nan 8.240 nan 0.000 0.484 648 I N 0.249 120.929 120.570 0.183 0.000 2.676 648 I HA 0.714 4.884 4.170 -0.000 0.000 0.309 648 I C -0.141 176.177 176.117 0.336 0.000 0.990 648 I CA -1.006 60.422 61.300 0.215 0.000 1.168 648 I CB 1.651 39.774 38.000 0.205 0.000 1.343 648 I HN 0.380 nan 8.210 nan 0.000 0.482 649 E N 3.431 123.790 120.200 0.264 0.000 2.212 649 E HA 0.690 5.040 4.350 -0.000 0.000 0.268 649 E C -1.510 175.234 176.600 0.240 0.000 0.902 649 E CA -0.626 55.950 56.400 0.292 0.000 0.779 649 E CB 2.486 32.395 29.700 0.347 0.000 1.172 649 E HN 0.599 nan 8.360 nan 0.000 0.409 650 F N -0.604 119.405 119.950 0.098 0.000 2.773 650 F HA 0.649 5.176 4.527 -0.000 0.000 0.314 650 F C -1.418 174.470 175.800 0.147 0.000 1.160 650 F CA -1.099 56.863 58.000 -0.064 0.000 0.920 650 F CB 1.496 40.342 39.000 -0.257 0.000 1.323 650 F HN 0.110 nan 8.300 nan 0.000 0.457 651 K N 0.860 121.377 120.400 0.195 0.000 2.551 651 K HA 0.539 4.859 4.320 -0.000 0.000 0.269 651 K C -2.079 174.536 176.600 0.025 0.000 0.949 651 K CA -0.710 55.670 56.287 0.155 0.000 0.849 651 K CB 2.853 35.607 32.500 0.424 0.000 1.411 651 K HN 0.587 nan 8.250 nan 0.000 0.432 652 F N 2.251 122.283 119.950 0.136 0.000 2.403 652 F HA 0.583 5.110 4.527 -0.000 0.000 0.326 652 F C 0.298 176.148 175.800 0.083 0.000 1.081 652 F CA -0.688 57.383 58.000 0.118 0.000 1.041 652 F CB 0.993 40.099 39.000 0.176 0.000 1.234 652 F HN 0.267 nan 8.300 nan 0.000 0.503 653 L N -0.874 120.522 121.223 0.289 0.000 2.469 653 L HA 0.699 5.039 4.340 -0.000 0.000 0.256 653 L C -1.683 175.287 176.870 0.167 0.000 1.006 653 L CA -1.283 53.635 54.840 0.130 0.000 0.832 653 L CB 2.299 44.049 42.059 -0.516 0.000 1.421 653 L HN 0.422 nan 8.230 nan 0.000 0.410 654 K N 1.303 121.758 120.400 0.090 0.000 2.182 654 K HA 0.646 4.966 4.320 -0.000 0.000 0.262 654 K C -1.204 175.362 176.600 -0.056 0.000 0.957 654 K CA -0.746 55.519 56.287 -0.036 0.000 0.842 654 K CB 2.282 34.687 32.500 -0.159 0.000 1.099 654 K HN 0.492 nan 8.250 nan 0.000 0.438 655 K N 2.286 122.682 120.400 -0.006 0.000 2.316 655 K HA 0.237 4.557 4.320 -0.000 0.000 0.251 655 K C -1.227 175.368 176.600 -0.007 0.000 0.934 655 K CA -0.808 55.414 56.287 -0.108 0.000 0.802 655 K CB 2.028 34.305 32.500 -0.372 0.000 1.171 655 K HN 0.550 nan 8.250 nan 0.000 0.426 656 Q N 1.450 121.232 119.800 -0.030 0.000 2.295 656 Q HA 0.463 4.803 4.340 -0.000 0.000 0.259 656 Q C 0.200 176.189 176.000 -0.017 0.000 0.966 656 Q CA -0.801 55.002 55.803 -0.000 0.000 0.763 656 Q CB 1.722 30.462 28.738 0.004 0.000 1.283 656 Q HN 0.716 nan 8.270 nan 0.000 0.445 657 G N 2.671 111.463 108.800 -0.013 0.000 2.596 657 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.304 657 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.304 657 G C 0.607 175.480 174.900 -0.045 0.000 1.189 657 G CA 0.526 45.614 45.100 -0.020 0.000 0.986 657 G HN 0.707 nan 8.290 nan 0.000 0.548 658 S N 0.625 116.303 115.700 -0.037 0.000 2.535 658 S HA 0.321 4.791 4.470 -0.000 0.000 0.214 658 S C 0.807 175.380 174.600 -0.045 0.000 0.980 658 S CA 1.096 59.270 58.200 -0.044 0.000 0.907 658 S CB 0.497 63.682 63.200 -0.025 0.000 0.790 658 S HN 0.831 nan 8.310 nan 0.000 0.510 659 T N 2.754 117.284 114.554 -0.039 0.000 2.780 659 T HA 0.454 4.804 4.350 -0.000 0.000 0.294 659 T C -0.302 174.361 174.700 -0.061 0.000 0.949 659 T CA -0.174 61.909 62.100 -0.028 0.000 1.074 659 T CB 1.434 70.296 68.868 -0.009 0.000 0.910 659 T HN -0.098 nan 8.240 nan 0.000 0.501 660 V N 3.966 123.845 119.914 -0.058 0.000 2.448 660 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 660 V C 0.179 176.239 176.094 -0.056 0.000 1.025 660 V CA -0.703 61.513 62.300 -0.141 0.000 0.859 660 V CB 1.986 33.682 31.823 -0.211 0.000 0.988 660 V HN 0.969 nan 8.190 nan 0.000 0.431 661 T N 4.430 118.955 114.554 -0.048 0.000 2.809 661 T HA 0.393 4.743 4.350 -0.000 0.000 0.296 661 T C -0.680 174.121 174.700 0.168 0.000 1.015 661 T CA -0.267 61.904 62.100 0.120 0.000 0.954 661 T CB 0.428 69.382 68.868 0.144 0.000 0.950 661 T HN 0.540 nan 8.240 nan 0.000 0.450 662 W N 2.097 123.487 121.300 0.149 0.000 2.313 662 W HA 0.356 5.016 4.660 -0.000 0.000 0.328 662 W C 0.867 177.381 176.519 -0.009 0.000 1.197 662 W CA -0.877 56.520 57.345 0.085 0.000 1.235 662 W CB 0.407 29.869 29.460 0.002 0.000 1.158 662 W HN 0.570 nan 8.180 nan 0.000 0.578 663 E N 0.888 121.047 120.200 -0.068 0.000 2.436 663 E HA 0.179 4.529 4.350 -0.000 0.000 0.262 663 E C 0.687 177.185 176.600 -0.169 0.000 1.063 663 E CA 0.082 56.150 56.400 -0.554 0.000 0.944 663 E CB 0.515 29.811 29.700 -0.673 0.000 0.950 663 E HN 0.607 nan 8.360 nan 0.000 0.444 664 G N 0.509 109.197 108.800 -0.187 0.000 2.525 664 G HA2 0.527 4.487 3.960 -0.000 0.000 0.287 664 G HA3 0.527 4.487 3.960 -0.000 0.000 0.287 664 G C 0.257 175.082 174.900 -0.124 0.000 1.350 664 G CA 0.010 45.051 45.100 -0.098 0.000 1.039 664 G HN 0.761 nan 8.290 nan 0.000 0.513 665 G N -1.831 106.913 108.800 -0.094 0.000 2.760 665 G HA2 0.378 4.338 3.960 -0.000 0.000 0.246 665 G HA3 0.378 4.338 3.960 -0.000 0.000 0.246 665 G C 0.333 175.172 174.900 -0.101 0.000 1.359 665 G CA 0.054 45.100 45.100 -0.089 0.000 0.861 665 G HN 1.998 nan 8.290 nan 0.000 0.541 666 A N 0.026 122.794 122.820 -0.087 0.000 2.366 666 A HA 0.581 4.901 4.320 -0.000 0.000 0.249 666 A C 0.804 178.328 177.584 -0.100 0.000 1.084 666 A CA 0.242 52.225 52.037 -0.090 0.000 0.794 666 A CB 0.084 19.045 19.000 -0.064 0.000 1.034 666 A HN 1.009 nan 8.150 nan 0.000 0.491 667 N N 0.780 119.421 118.700 -0.098 0.000 2.441 667 N HA 0.112 4.852 4.740 -0.000 0.000 0.251 667 N C 0.101 175.539 175.510 -0.121 0.000 1.242 667 N CA 0.400 53.409 53.050 -0.070 0.000 0.898 667 N CB 0.306 38.808 38.487 0.024 0.000 1.100 667 N HN 0.564 nan 8.380 nan 0.000 0.443 668 R N 0.016 120.336 120.500 -0.301 0.000 2.531 668 R HA 0.421 4.761 4.340 -0.000 0.000 0.273 668 R C 0.195 176.265 176.300 -0.384 0.000 1.070 668 R CA -0.395 55.409 56.100 -0.492 0.000 1.112 668 R CB 0.596 30.232 30.300 -1.107 0.000 1.049 668 R HN 0.613 nan 8.270 nan 0.000 0.508 669 T N -1.218 113.298 114.554 -0.064 0.000 2.900 669 T HA 0.670 5.020 4.350 -0.000 0.000 0.295 669 T C -0.986 174.021 174.700 0.512 0.000 1.044 669 T CA -0.775 61.458 62.100 0.222 0.000 0.995 669 T CB 1.472 70.429 68.868 0.149 0.000 1.072 669 T HN 0.453 nan 8.240 nan 0.000 0.473 670 F N 0.744 120.918 119.950 0.374 0.000 2.615 670 F HA 0.546 5.072 4.527 -0.000 0.000 0.312 670 F C -1.107 174.802 175.800 0.181 0.000 1.119 670 F CA -0.579 57.600 58.000 0.297 0.000 0.979 670 F CB 2.041 41.262 39.000 0.368 0.000 1.266 670 F HN 0.731 nan 8.300 nan 0.000 0.444 671 T N 3.950 118.104 114.554 -0.666 0.000 2.738 671 T HA 0.394 4.744 4.350 -0.000 0.000 0.298 671 T C 0.018 174.230 174.700 -0.814 0.000 0.962 671 T CA -0.371 61.423 62.100 -0.511 0.000 0.972 671 T CB 0.463 69.151 68.868 -0.300 0.000 0.928 671 T HN 0.721 nan 8.240 nan 0.000 0.474 672 T N 3.126 117.440 114.554 -0.400 0.000 2.918 672 T HA 0.364 4.714 4.350 -0.000 0.000 0.302 672 T C -2.200 172.420 174.700 -0.133 0.000 1.045 672 T CA -1.635 60.340 62.100 -0.209 0.000 1.114 672 T CB 0.407 69.291 68.868 0.027 0.000 0.965 672 T HN 0.257 nan 8.240 nan 0.000 0.540 673 P HA 0.100 nan 4.420 nan 0.000 0.271 673 P C 1.077 178.382 177.300 0.008 0.000 1.233 673 P CA -0.290 62.806 63.100 -0.006 0.000 0.789 673 P CB 0.560 32.288 31.700 0.045 0.000 0.951 674 T N -2.526 112.034 114.554 0.008 0.000 3.014 674 T HA 0.059 4.409 4.350 -0.000 0.000 0.263 674 T C 0.944 175.659 174.700 0.024 0.000 1.078 674 T CA 0.658 62.765 62.100 0.012 0.000 1.135 674 T CB -0.437 68.435 68.868 0.007 0.000 0.895 674 T HN 0.671 nan 8.240 nan 0.000 0.480 675 S N -1.029 114.692 115.700 0.036 0.000 2.638 675 S HA 0.719 5.189 4.470 -0.000 0.000 0.274 675 S C 0.268 174.910 174.600 0.070 0.000 1.157 675 S CA -0.420 57.809 58.200 0.048 0.000 0.826 675 S CB 1.423 64.647 63.200 0.040 0.000 1.139 675 S HN 1.382 nan 8.310 nan 0.000 0.474 676 G N 0.624 109.480 108.800 0.094 0.000 2.593 676 G HA2 0.206 4.166 3.960 -0.000 0.000 0.237 676 G HA3 0.206 4.166 3.960 -0.000 0.000 0.237 676 G C -0.112 174.868 174.900 0.133 0.000 1.312 676 G CA 0.284 45.452 45.100 0.114 0.000 0.896 676 G HN 2.232 nan 8.290 nan 0.000 0.574 677 T N -2.446 112.187 114.554 0.131 0.000 2.888 677 T HA 1.031 5.381 4.350 -0.000 0.000 0.288 677 T C -0.072 174.702 174.700 0.123 0.000 1.063 677 T CA 0.453 62.639 62.100 0.143 0.000 1.010 677 T CB 1.846 70.811 68.868 0.163 0.000 1.214 677 T HN 2.606 nan 8.240 nan 0.000 0.533 678 A N 0.360 123.246 122.820 0.111 0.000 2.606 678 A HA 0.773 5.093 4.320 -0.000 0.000 0.293 678 A C -0.635 176.940 177.584 -0.014 0.000 1.082 678 A CA -0.918 51.181 52.037 0.103 0.000 0.685 678 A CB 1.520 20.669 19.000 0.247 0.000 1.284 678 A HN 0.887 nan 8.150 nan 0.000 0.408 679 T N 0.974 115.498 114.554 -0.049 0.000 2.824 679 T HA 0.547 4.897 4.350 -0.000 0.000 0.282 679 T C -0.856 173.678 174.700 -0.275 0.000 0.993 679 T CA -0.329 61.690 62.100 -0.135 0.000 0.967 679 T CB 1.357 70.221 68.868 -0.006 0.000 0.960 679 T HN 0.577 nan 8.240 nan 0.000 0.441 680 V N 4.666 124.314 119.914 -0.444 0.000 2.350 680 V HA 0.465 4.585 4.120 -0.000 0.000 0.276 680 V C -0.044 175.974 176.094 -0.127 0.000 1.028 680 V CA -0.799 61.239 62.300 -0.436 0.000 0.860 680 V CB 1.217 32.622 31.823 -0.697 0.000 0.990 680 V HN 0.754 nan 8.190 nan 0.000 0.453 681 N N 4.632 123.305 118.700 -0.045 0.000 2.483 681 N HA 0.611 5.351 4.740 -0.000 0.000 0.267 681 N C -0.877 174.655 175.510 0.036 0.000 0.998 681 N CA -0.130 52.910 53.050 -0.017 0.000 0.918 681 N CB 2.084 40.559 38.487 -0.020 0.000 1.215 681 N HN 0.537 nan 8.380 nan 0.000 0.500 682 V N 1.017 120.958 119.914 0.045 0.000 3.156 682 V HA 0.727 4.847 4.120 -0.000 0.000 0.310 682 V C -0.801 175.302 176.094 0.015 0.000 1.234 682 V CA -1.028 61.315 62.300 0.071 0.000 1.065 682 V CB 2.223 34.161 31.823 0.191 0.000 1.088 682 V HN 0.487 nan 8.190 nan 0.000 0.451 683 N N 1.078 119.800 118.700 0.036 0.000 2.314 683 N HA 0.238 4.978 4.740 -0.000 0.000 0.294 683 N C -0.884 174.673 175.510 0.080 0.000 1.029 683 N CA -0.256 52.825 53.050 0.051 0.000 0.845 683 N CB 2.206 40.727 38.487 0.056 0.000 1.321 683 N HN 1.044 nan 8.380 nan 0.000 0.481 684 W N 2.804 124.064 121.300 -0.067 0.000 2.385 684 W HA -0.052 4.608 4.660 -0.000 0.000 0.336 684 W C -0.630 175.896 176.519 0.010 0.000 1.351 684 W CA 0.525 57.847 57.345 -0.038 0.000 1.295 684 W CB 0.325 29.751 29.460 -0.057 0.000 1.239 684 W HN 0.427 nan 8.180 nan 0.000 0.565 685 Q N 8.555 128.073 119.800 -0.469 0.000 2.360 685 Q HA 0.221 4.561 4.340 -0.000 0.000 0.254 685 Q C -1.684 174.072 176.000 -0.407 0.000 0.975 685 Q CA -1.729 53.899 55.803 -0.292 0.000 0.912 685 Q CB 1.429 30.024 28.738 -0.239 0.000 1.212 685 Q HN 0.232 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 63.174 63.100 0.124 0.000 0.800 686 P CB 0.000 31.816 31.700 0.193 0.000 0.726