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 2bpl_1_A DATA FIRST_RESID 1 DATA SEQUENCE CGIVGAIAQR DVAEILLEGL RRLEYRGYDS AGLAVVDAEG HMTRLRRLGK DATA SEQUENCE VQMLAQAAEE HPLHGGTGIA HTRWATHGEP SEVNAHPHVS EHIVVVHNGI DATA SEQUENCE IENHEPLREE LKARGYTFVS ETDTEVIAHL VNWELKQGGT LREAVLRAIP DATA SEQUENCE QLRGAYGTVI MDSRHPDTLL AARSGSPLVI GLGMGENFIA SDQLALLPVT DATA SEQUENCE RRFIFLEEGD IAEITRRSVN IFDKTGAEVK RQDIESNLQY DAGDKGIYRH DATA SEQUENCE YMQKEIYEQP NAIKNTLTGR ISHGQVDLSE LGPNADELLS KVEHIQILAC DATA SEQUENCE GTSYNSGMVS RYWFESLAGI PCDVEIASEF RYRKSAVRRN SLMITLSQSG DATA SEQUENCE ETADTLAGLR LSKELGYLGS LAICNVPGSS LVRESDLALM TNAGTEIGVA DATA SEQUENCE STKAFTTQLT VLLMLVAKLS KLKGLDASIE HDIVHGLQAL PSRIEQMLSQ DATA SEQUENCE DKRIEALAED FSDKHHALFL GRGDQYPIAL EGALKLKEIS YIHAEAYAAG DATA SEQUENCE ELKHGPLALI DADMPVIVVA PNNELLEKLK SNIEEVRARG GQLYVFADQD DATA SEQUENCE AGFVSSDNMH IIEMPHVEEV IAPIFYTVPL QLLAYHVALI KGTDVDQPRN DATA SEQUENCE LAKSVTVE 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 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.828 174.990 -0.270 0.000 1.270 1 C CA 0.000 58.891 59.018 -0.211 0.000 1.963 1 C CB 0.000 27.616 27.740 -0.207 0.000 2.134 2 G N 0.206 108.754 108.800 -0.421 0.000 2.687 2 G HA2 0.760 4.719 3.960 -0.000 0.000 0.301 2 G HA3 0.760 4.719 3.960 -0.000 0.000 0.301 2 G C -1.628 173.136 174.900 -0.227 0.000 1.416 2 G CA -0.310 44.629 45.100 -0.268 0.000 1.005 2 G HN 0.704 nan 8.290 nan 0.000 0.509 3 I N 1.582 122.130 120.570 -0.036 0.000 2.474 3 I HA 0.528 4.698 4.170 -0.000 0.000 0.294 3 I C -0.543 175.621 176.117 0.078 0.000 1.005 3 I CA -1.008 60.348 61.300 0.094 0.000 1.113 3 I CB 2.452 40.546 38.000 0.156 0.000 1.289 3 I HN 0.164 nan 8.210 nan 0.000 0.436 4 V N 4.265 124.241 119.914 0.104 0.000 2.789 4 V HA 0.883 5.003 4.120 -0.000 0.000 0.311 4 V C 0.055 176.234 176.094 0.141 0.000 1.073 4 V CA -0.534 61.835 62.300 0.115 0.000 0.921 4 V CB 1.776 33.658 31.823 0.099 0.000 1.009 4 V HN 0.889 nan 8.190 nan 0.000 0.426 5 G N 1.533 110.433 108.800 0.166 0.000 2.672 5 G HA2 0.923 4.883 3.960 -0.000 0.000 0.292 5 G HA3 0.923 4.883 3.960 -0.000 0.000 0.292 5 G C -1.350 173.678 174.900 0.215 0.000 1.375 5 G CA -0.321 44.876 45.100 0.162 0.000 0.890 5 G HN 1.347 nan 8.290 nan 0.000 0.476 6 A N 0.064 122.972 122.820 0.145 0.000 2.513 6 A HA 0.704 5.023 4.320 -0.000 0.000 0.296 6 A C -1.591 175.961 177.584 -0.054 0.000 1.052 6 A CA -0.412 51.687 52.037 0.103 0.000 0.714 6 A CB 1.401 20.575 19.000 0.290 0.000 1.279 6 A HN 1.552 nan 8.150 nan 0.000 0.397 7 I N 1.947 122.374 120.570 -0.239 0.000 2.503 7 I HA 0.744 4.914 4.170 -0.000 0.000 0.282 7 I C -0.281 175.699 176.117 -0.228 0.000 1.059 7 I CA 0.060 61.263 61.300 -0.162 0.000 1.081 7 I CB 1.139 39.081 38.000 -0.098 0.000 1.210 7 I HN 1.149 nan 8.210 nan 0.000 0.450 8 A N 5.167 127.911 122.820 -0.126 0.000 2.524 8 A HA 0.464 4.784 4.320 -0.000 0.000 0.289 8 A C -0.067 177.499 177.584 -0.030 0.000 1.248 8 A CA -0.484 51.491 52.037 -0.104 0.000 0.712 8 A CB 1.761 20.733 19.000 -0.047 0.000 1.312 8 A HN 0.688 nan 8.150 nan 0.000 0.441 9 Q N -0.406 119.389 119.800 -0.007 0.000 2.259 9 Q HA 0.054 4.394 4.340 -0.000 0.000 0.201 9 Q C 0.790 176.809 176.000 0.032 0.000 0.938 9 Q CA 0.364 56.174 55.803 0.011 0.000 0.872 9 Q CB 0.003 28.747 28.738 0.010 0.000 0.971 9 Q HN 0.723 nan 8.270 nan 0.000 0.494 10 R N 0.932 121.461 120.500 0.048 0.000 2.649 10 R HA 0.222 4.562 4.340 -0.000 0.000 0.270 10 R C -0.563 175.786 176.300 0.082 0.000 1.105 10 R CA -0.637 55.502 56.100 0.065 0.000 1.193 10 R CB 0.183 30.530 30.300 0.078 0.000 1.120 10 R HN -0.101 nan 8.270 nan 0.000 0.561 11 D N 0.848 121.304 120.400 0.094 0.000 2.488 11 D HA -0.015 4.625 4.640 -0.000 0.000 0.238 11 D C 1.035 177.404 176.300 0.114 0.000 1.138 11 D CA 0.137 54.204 54.000 0.112 0.000 0.873 11 D CB 1.400 42.282 40.800 0.136 0.000 1.183 11 D HN 0.519 nan 8.370 nan 0.000 0.458 12 V N -0.023 119.960 119.914 0.116 0.000 3.643 12 V HA 0.226 4.346 4.120 -0.000 0.000 0.280 12 V C 1.824 177.987 176.094 0.115 0.000 1.351 12 V CA 0.631 63.016 62.300 0.142 0.000 1.073 12 V CB 0.047 31.966 31.823 0.160 0.000 0.863 12 V HN 0.492 nan 8.190 nan 0.000 0.436 13 A N 1.154 124.025 122.820 0.086 0.000 1.892 13 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 13 A C 2.150 179.769 177.584 0.059 0.000 1.188 13 A CA 2.305 54.380 52.037 0.063 0.000 0.631 13 A CB -0.555 18.466 19.000 0.034 0.000 0.822 13 A HN 0.548 nan 8.150 nan 0.000 0.447 14 E N -0.363 119.870 120.200 0.055 0.000 2.150 14 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 14 E C 1.941 178.567 176.600 0.043 0.000 0.985 14 E CA 0.914 57.340 56.400 0.043 0.000 0.814 14 E CB -0.371 29.351 29.700 0.037 0.000 0.752 14 E HN 0.760 nan 8.360 nan 0.000 0.466 15 I N 0.644 121.249 120.570 0.059 0.000 2.252 15 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 15 I C 2.358 178.503 176.117 0.047 0.000 1.102 15 I CA 0.694 62.017 61.300 0.040 0.000 1.385 15 I CB -0.130 37.910 38.000 0.068 0.000 1.064 15 I HN 0.033 nan 8.210 nan 0.000 0.414 16 L N -0.047 121.224 121.223 0.081 0.000 2.056 16 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 16 L C 2.483 179.388 176.870 0.059 0.000 1.078 16 L CA 1.237 56.127 54.840 0.084 0.000 0.749 16 L CB -0.475 41.642 42.059 0.096 0.000 0.901 16 L HN 0.245 nan 8.230 nan 0.000 0.433 17 L N -0.422 120.831 121.223 0.051 0.000 2.046 17 L HA -0.224 4.115 4.340 -0.000 0.000 0.208 17 L C 2.638 179.529 176.870 0.035 0.000 1.077 17 L CA 1.141 56.005 54.840 0.041 0.000 0.747 17 L CB -0.418 41.663 42.059 0.036 0.000 0.896 17 L HN 0.243 nan 8.230 nan 0.000 0.432 18 E N 0.516 120.734 120.200 0.029 0.000 2.077 18 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 18 E C 2.103 178.719 176.600 0.026 0.000 0.989 18 E CA 1.390 57.805 56.400 0.024 0.000 0.800 18 E CB -0.424 29.282 29.700 0.010 0.000 0.746 18 E HN 0.330 nan 8.360 nan 0.000 0.452 19 G N 0.835 109.648 108.800 0.023 0.000 2.459 19 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 19 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 19 G C 1.599 176.516 174.900 0.028 0.000 1.183 19 G CA 1.117 46.233 45.100 0.026 0.000 0.776 19 G HN 0.320 nan 8.290 nan 0.000 0.552 20 L N -0.294 120.945 121.223 0.027 0.000 2.093 20 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 20 L C 3.140 180.026 176.870 0.026 0.000 1.085 20 L CA 0.829 55.677 54.840 0.013 0.000 0.755 20 L CB -0.372 41.697 42.059 0.016 0.000 0.904 20 L HN 0.149 nan 8.230 nan 0.000 0.435 21 R N 0.094 120.619 120.500 0.041 0.000 2.117 21 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 21 R C 2.339 178.685 176.300 0.078 0.000 1.143 21 R CA 1.409 57.544 56.100 0.058 0.000 0.968 21 R CB -0.274 30.061 30.300 0.058 0.000 0.863 21 R HN 0.389 nan 8.270 nan 0.000 0.444 22 R N 0.023 120.566 120.500 0.072 0.000 2.200 22 R HA 0.067 4.406 4.340 -0.000 0.000 0.208 22 R C 1.577 177.972 176.300 0.160 0.000 1.033 22 R CA 0.593 56.751 56.100 0.095 0.000 1.000 22 R CB 0.183 30.527 30.300 0.072 0.000 0.906 22 R HN 0.188 nan 8.270 nan 0.000 0.462 23 L N 0.023 121.291 121.223 0.074 0.000 2.667 23 L HA 0.136 4.476 4.340 -0.000 0.000 0.232 23 L C 1.834 178.623 176.870 -0.135 0.000 1.138 23 L CA 0.022 54.839 54.840 -0.038 0.000 0.921 23 L CB 0.093 42.087 42.059 -0.108 0.000 1.180 23 L HN 0.176 nan 8.230 nan 0.000 0.487 24 E N 1.070 121.289 120.200 0.032 0.000 2.085 24 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 24 E C 2.044 178.718 176.600 0.124 0.000 0.994 24 E CA 1.985 58.422 56.400 0.063 0.000 0.801 24 E CB -0.093 29.671 29.700 0.106 0.000 0.743 24 E HN 0.662 nan 8.360 nan 0.000 0.453 25 Y N -0.295 120.021 120.300 0.026 0.000 2.365 25 Y HA -0.140 4.410 4.550 0.000 0.000 0.287 25 Y C 1.715 177.638 175.900 0.038 0.000 1.162 25 Y CA 0.754 58.883 58.100 0.049 0.000 1.260 25 Y CB -0.208 38.195 38.460 -0.095 0.000 0.976 25 Y HN -0.102 nan 8.280 nan 0.000 0.548 26 R N 1.497 121.607 120.500 -0.650 0.000 2.240 26 R HA 0.304 4.644 4.340 -0.000 0.000 0.203 26 R C 0.414 176.551 176.300 -0.272 0.000 1.011 26 R CA 0.726 56.534 56.100 -0.486 0.000 1.007 26 R CB -0.078 29.903 30.300 -0.531 0.000 0.911 26 R HN 0.510 nan 8.270 nan 0.000 0.468 27 G N 0.380 109.021 108.800 -0.265 0.000 2.299 27 G HA2 0.286 4.245 3.960 -0.000 0.000 0.312 27 G HA3 0.286 4.245 3.960 -0.000 0.000 0.312 27 G C -1.005 173.761 174.900 -0.223 0.000 1.654 27 G CA -0.753 44.141 45.100 -0.343 0.000 0.912 27 G HN 0.204 nan 8.290 nan 0.000 0.667 28 Y N -0.381 119.849 120.300 -0.117 0.000 2.696 28 Y HA 0.451 5.001 4.550 -0.000 0.000 0.255 28 Y C 0.482 176.359 175.900 -0.038 0.000 1.103 28 Y CA -0.913 57.142 58.100 -0.074 0.000 1.126 28 Y CB 0.594 39.011 38.460 -0.071 0.000 1.197 28 Y HN 0.330 nan 8.280 nan 0.000 0.574 29 D N 1.076 121.447 120.400 -0.047 0.000 2.240 29 D HA 0.049 4.689 4.640 -0.000 0.000 0.206 29 D C 0.747 177.083 176.300 0.059 0.000 0.963 29 D CA 1.420 55.433 54.000 0.021 0.000 0.863 29 D CB 0.607 41.420 40.800 0.021 0.000 0.973 29 D HN 0.443 nan 8.370 nan 0.000 0.501 30 S N -1.152 114.579 115.700 0.051 0.000 2.636 30 S HA 0.765 5.235 4.470 -0.000 0.000 0.268 30 S C -1.391 173.242 174.600 0.055 0.000 1.159 30 S CA -0.595 57.644 58.200 0.065 0.000 0.815 30 S CB 2.461 65.711 63.200 0.083 0.000 1.130 30 S HN 0.150 nan 8.310 nan 0.000 0.471 31 A N -0.447 122.414 122.820 0.068 0.000 2.601 31 A HA 1.003 5.323 4.320 -0.000 0.000 0.291 31 A C -0.203 177.432 177.584 0.085 0.000 1.075 31 A CA -0.350 51.729 52.037 0.069 0.000 0.671 31 A CB 0.803 19.829 19.000 0.044 0.000 1.277 31 A HN 2.299 nan 8.150 nan 0.000 0.417 32 G N -0.921 107.940 108.800 0.103 0.000 2.623 32 G HA2 0.772 4.732 3.960 -0.000 0.000 0.290 32 G HA3 0.772 4.732 3.960 -0.000 0.000 0.290 32 G C -1.329 173.626 174.900 0.092 0.000 1.437 32 G CA 0.113 45.264 45.100 0.085 0.000 0.798 32 G HN 2.037 nan 8.290 nan 0.000 0.488 33 L N -1.902 119.362 121.223 0.069 0.000 2.469 33 L HA 1.013 5.353 4.340 -0.000 0.000 0.256 33 L C -0.747 176.152 176.870 0.049 0.000 1.006 33 L CA -1.255 53.627 54.840 0.071 0.000 0.832 33 L CB 2.059 44.159 42.059 0.068 0.000 1.421 33 L HN 1.288 nan 8.230 nan 0.000 0.410 34 A N 1.870 124.719 122.820 0.049 0.000 2.422 34 A HA 0.872 5.192 4.320 -0.000 0.000 0.302 34 A C -1.349 176.260 177.584 0.041 0.000 1.041 34 A CA -0.589 51.466 52.037 0.031 0.000 0.708 34 A CB 2.089 21.098 19.000 0.014 0.000 1.257 34 A HN 0.601 nan 8.150 nan 0.000 0.414 35 V N 2.240 122.177 119.914 0.038 0.000 2.709 35 V HA 0.545 4.665 4.120 -0.000 0.000 0.308 35 V C -0.696 175.427 176.094 0.049 0.000 1.062 35 V CA -0.525 61.805 62.300 0.051 0.000 0.901 35 V CB 2.042 33.900 31.823 0.058 0.000 1.003 35 V HN 0.746 nan 8.190 nan 0.000 0.425 36 V N 3.760 123.705 119.914 0.052 0.000 2.448 36 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 36 V C -0.414 175.723 176.094 0.072 0.000 1.025 36 V CA -0.792 61.538 62.300 0.049 0.000 0.859 36 V CB 1.925 33.765 31.823 0.030 0.000 0.988 36 V HN 1.067 nan 8.190 nan 0.000 0.431 37 D N 3.975 124.434 120.400 0.098 0.000 2.354 37 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 37 D C 1.198 177.537 176.300 0.066 0.000 1.138 37 D CA 0.008 54.066 54.000 0.097 0.000 0.958 37 D CB 1.503 42.379 40.800 0.126 0.000 1.144 37 D HN 0.493 nan 8.370 nan 0.000 0.458 38 A N 0.833 123.684 122.820 0.052 0.000 1.986 38 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 38 A C 1.581 179.182 177.584 0.028 0.000 1.171 38 A CA 1.356 53.414 52.037 0.035 0.000 0.640 38 A CB -0.748 18.268 19.000 0.027 0.000 0.811 38 A HN 0.619 nan 8.150 nan 0.000 0.451 39 E N -0.374 119.848 120.200 0.037 0.000 2.533 39 E HA 0.123 4.473 4.350 -0.000 0.000 0.201 39 E C 1.295 177.916 176.600 0.035 0.000 1.097 39 E CA 0.595 57.016 56.400 0.034 0.000 0.887 39 E CB -1.456 28.271 29.700 0.046 0.000 0.855 39 E HN 0.929 nan 8.360 nan 0.000 0.540 40 G N 1.551 110.368 108.800 0.027 0.000 2.175 40 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.265 40 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.265 40 G C 0.149 175.063 174.900 0.023 0.000 0.979 40 G CA 0.638 45.740 45.100 0.003 0.000 0.663 40 G HN 0.594 nan 8.290 nan 0.000 0.533 41 H N 0.705 119.779 119.070 0.006 0.000 2.944 41 H HA 0.428 4.984 4.556 -0.000 0.000 0.278 41 H C 0.349 175.689 175.328 0.020 0.000 1.083 41 H CA -0.174 55.881 56.048 0.013 0.000 1.479 41 H CB 0.402 30.175 29.762 0.019 0.000 1.486 41 H HN 0.244 nan 8.280 nan 0.000 0.493 42 M N 5.336 124.704 119.600 -0.386 0.000 2.157 42 M HA 0.175 4.655 4.480 -0.000 0.000 0.354 42 M C -0.981 175.183 176.300 -0.228 0.000 1.170 42 M CA -0.132 55.049 55.300 -0.198 0.000 1.060 42 M CB 0.733 33.244 32.600 -0.148 0.000 1.615 42 M HN 0.521 nan 8.290 nan 0.000 0.460 43 T N 6.220 120.755 114.554 -0.032 0.000 2.770 43 T HA 0.469 4.819 4.350 -0.000 0.000 0.283 43 T C -0.476 174.226 174.700 0.004 0.000 0.988 43 T CA -0.525 61.586 62.100 0.017 0.000 0.957 43 T CB 1.205 70.139 68.868 0.110 0.000 0.930 43 T HN 0.688 nan 8.240 nan 0.000 0.443 44 R N 3.339 123.831 120.500 -0.012 0.000 2.445 44 R HA 0.690 5.030 4.340 -0.000 0.000 0.308 44 R C -1.682 174.619 176.300 0.001 0.000 0.961 44 R CA -0.764 55.331 56.100 -0.009 0.000 0.862 44 R CB 0.688 30.969 30.300 -0.031 0.000 1.144 44 R HN 0.334 nan 8.270 nan 0.000 0.447 45 L N 3.842 125.075 121.223 0.016 0.000 2.408 45 L HA 0.572 4.912 4.340 -0.000 0.000 0.268 45 L C -0.993 175.896 176.870 0.031 0.000 0.986 45 L CA -0.368 54.489 54.840 0.028 0.000 0.820 45 L CB 2.007 44.096 42.059 0.050 0.000 1.303 45 L HN 0.656 nan 8.230 nan 0.000 0.411 46 R N 4.059 124.577 120.500 0.030 0.000 2.564 46 R HA 0.725 5.065 4.340 -0.000 0.000 0.284 46 R C -1.127 175.199 176.300 0.044 0.000 1.031 46 R CA -1.053 55.068 56.100 0.034 0.000 0.904 46 R CB 2.471 32.779 30.300 0.013 0.000 1.199 46 R HN 0.345 nan 8.270 nan 0.000 0.443 47 R N 1.859 122.390 120.500 0.052 0.000 2.725 47 R HA 0.399 4.739 4.340 -0.000 0.000 0.277 47 R C -0.962 175.373 176.300 0.058 0.000 0.987 47 R CA -1.336 54.796 56.100 0.053 0.000 0.901 47 R CB 1.834 32.166 30.300 0.053 0.000 1.207 47 R HN 0.348 nan 8.270 nan 0.000 0.463 48 L N 1.235 122.492 121.223 0.057 0.000 2.380 48 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 48 L C 0.840 177.746 176.870 0.060 0.000 1.138 48 L CA 1.535 56.411 54.840 0.060 0.000 0.832 48 L CB 0.875 42.967 42.059 0.056 0.000 1.124 48 L HN 0.903 nan 8.230 nan 0.000 0.454 49 G N 3.233 112.074 108.800 0.068 0.000 2.373 49 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.634 49 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.634 49 G C -1.095 173.856 174.900 0.085 0.000 1.267 49 G CA -0.990 44.154 45.100 0.074 0.000 1.008 49 G HN 0.530 nan 8.290 nan 0.000 0.497 50 K N -0.279 120.173 120.400 0.087 0.000 2.286 50 K HA 0.265 4.585 4.320 -0.000 0.000 0.256 50 K C 1.971 178.610 176.600 0.066 0.000 0.999 50 K CA 0.202 56.542 56.287 0.089 0.000 0.908 50 K CB 0.692 33.224 32.500 0.053 0.000 0.981 50 K HN 0.506 nan 8.250 nan 0.000 0.500 51 V N 1.722 121.673 119.914 0.062 0.000 2.453 51 V HA -0.317 3.803 4.120 -0.000 0.000 0.252 51 V C 2.641 178.759 176.094 0.041 0.000 1.068 51 V CA 2.340 64.668 62.300 0.048 0.000 1.070 51 V CB -0.894 30.956 31.823 0.044 0.000 0.664 51 V HN 0.813 nan 8.190 nan 0.000 0.461 52 Q N -0.752 119.070 119.800 0.036 0.000 2.248 52 Q HA -0.253 4.087 4.340 -0.000 0.000 0.208 52 Q C 2.066 178.083 176.000 0.029 0.000 0.984 52 Q CA 1.859 57.679 55.803 0.029 0.000 0.875 52 Q CB -0.328 28.423 28.738 0.022 0.000 0.910 52 Q HN 0.464 nan 8.270 nan 0.000 0.433 53 M N 0.217 119.838 119.600 0.035 0.000 2.123 53 M HA -0.049 4.431 4.480 -0.000 0.000 0.263 53 M C 2.158 178.481 176.300 0.039 0.000 1.069 53 M CA 0.873 56.195 55.300 0.036 0.000 1.133 53 M CB -0.893 31.733 32.600 0.043 0.000 1.356 53 M HN 0.332 nan 8.290 nan 0.000 0.415 54 L N 0.965 122.214 121.223 0.043 0.000 2.042 54 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 54 L C 2.523 179.416 176.870 0.038 0.000 1.076 54 L CA 2.176 57.043 54.840 0.045 0.000 0.749 54 L CB -0.989 41.099 42.059 0.048 0.000 0.893 54 L HN 0.254 nan 8.230 nan 0.000 0.432 55 A N -1.114 121.725 122.820 0.031 0.000 1.898 55 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 55 A C 2.297 179.889 177.584 0.014 0.000 1.181 55 A CA 1.674 53.726 52.037 0.024 0.000 0.620 55 A CB -0.746 18.268 19.000 0.022 0.000 0.819 55 A HN 0.675 nan 8.150 nan 0.000 0.442 56 Q N -0.209 119.599 119.800 0.013 0.000 2.061 56 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 56 Q C 2.146 178.141 176.000 -0.008 0.000 0.984 56 Q CA 1.999 57.803 55.803 0.001 0.000 0.846 56 Q CB -0.415 28.325 28.738 0.004 0.000 0.902 56 Q HN 0.548 nan 8.270 nan 0.000 0.421 57 A N 1.071 123.900 122.820 0.016 0.000 1.908 57 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 57 A C 2.380 179.981 177.584 0.029 0.000 1.181 57 A CA 1.850 53.908 52.037 0.034 0.000 0.627 57 A CB -1.150 17.900 19.000 0.083 0.000 0.818 57 A HN 0.621 nan 8.150 nan 0.000 0.445 58 A N -0.319 122.521 122.820 0.034 0.000 2.024 58 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 58 A C 1.977 179.554 177.584 -0.012 0.000 1.164 58 A CA 1.916 53.968 52.037 0.026 0.000 0.643 58 A CB -0.493 18.521 19.000 0.023 0.000 0.806 58 A HN 0.746 nan 8.150 nan 0.000 0.451 59 E N -0.450 119.731 120.200 -0.032 0.000 2.299 59 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 59 E C 1.623 178.166 176.600 -0.095 0.000 0.998 59 E CA 0.850 57.222 56.400 -0.047 0.000 0.851 59 E CB -0.061 29.619 29.700 -0.034 0.000 0.795 59 E HN 0.736 nan 8.360 nan 0.000 0.492 60 E N -0.857 119.237 120.200 -0.177 0.000 2.318 60 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 60 E C -0.210 176.113 176.600 -0.463 0.000 0.998 60 E CA 0.459 56.629 56.400 -0.384 0.000 0.859 60 E CB 0.338 29.677 29.700 -0.602 0.000 0.812 60 E HN 0.347 nan 8.360 nan 0.000 0.492 61 H N -0.224 118.839 119.070 -0.011 0.000 2.538 61 H HA 0.218 4.774 4.556 -0.000 0.000 0.239 61 H C -2.594 172.705 175.328 -0.049 0.000 1.401 61 H CA -1.935 54.104 56.048 -0.016 0.000 1.499 61 H CB 0.858 30.620 29.762 -0.001 0.000 1.624 61 H HN 0.018 nan 8.280 nan 0.000 0.524 62 P HA 0.095 nan 4.420 nan 0.000 0.274 62 P C -0.721 176.425 177.300 -0.256 0.000 1.231 62 P CA -0.533 62.487 63.100 -0.133 0.000 0.790 62 P CB 1.177 32.779 31.700 -0.163 0.000 0.951 63 L N 3.443 124.517 121.223 -0.249 0.000 2.295 63 L HA 0.323 4.663 4.340 -0.000 0.000 0.281 63 L C 0.333 177.069 176.870 -0.224 0.000 1.018 63 L CA -0.423 54.322 54.840 -0.159 0.000 0.841 63 L CB 0.326 42.367 42.059 -0.029 0.000 1.218 63 L HN 0.368 nan 8.230 nan 0.000 0.424 64 H N 2.391 121.501 119.070 0.067 0.000 2.610 64 H HA 0.801 5.357 4.556 -0.000 0.000 0.336 64 H C 0.561 175.927 175.328 0.063 0.000 1.087 64 H CA -0.065 56.017 56.048 0.057 0.000 1.405 64 H CB 1.724 31.512 29.762 0.044 0.000 1.460 64 H HN 0.766 nan 8.280 nan 0.000 0.538 65 G N 0.285 109.196 108.800 0.184 0.000 2.333 65 G HA2 0.133 4.092 3.960 -0.000 0.000 0.330 65 G HA3 0.133 4.092 3.960 -0.000 0.000 0.330 65 G C 0.460 175.416 174.900 0.094 0.000 1.465 65 G CA -0.269 44.905 45.100 0.123 0.000 0.996 65 G HN 0.686 nan 8.290 nan 0.000 0.655 66 G N -1.196 107.645 108.800 0.069 0.000 2.986 66 G HA2 0.441 4.401 3.960 -0.000 0.000 0.213 66 G HA3 0.441 4.401 3.960 -0.000 0.000 0.213 66 G C 0.452 175.374 174.900 0.037 0.000 1.156 66 G CA 1.281 46.412 45.100 0.051 0.000 0.763 66 G HN 0.941 nan 8.290 nan 0.000 0.547 67 T N 0.096 114.677 114.554 0.045 0.000 2.841 67 T HA 0.662 5.012 4.350 -0.000 0.000 0.285 67 T C -0.103 174.630 174.700 0.053 0.000 0.991 67 T CA -0.063 62.059 62.100 0.037 0.000 0.966 67 T CB 1.972 70.859 68.868 0.033 0.000 0.962 67 T HN 0.374 nan 8.240 nan 0.000 0.438 68 G N 1.901 110.739 108.800 0.062 0.000 2.623 68 G HA2 0.747 4.707 3.960 -0.000 0.000 0.290 68 G HA3 0.747 4.707 3.960 -0.000 0.000 0.290 68 G C -1.642 173.309 174.900 0.085 0.000 1.437 68 G CA -0.860 44.283 45.100 0.071 0.000 0.798 68 G HN 0.930 nan 8.290 nan 0.000 0.488 69 I N -2.748 117.874 120.570 0.087 0.000 3.074 69 I HA 0.974 5.144 4.170 -0.000 0.000 0.310 69 I C -0.372 175.813 176.117 0.113 0.000 1.153 69 I CA -1.487 59.877 61.300 0.106 0.000 0.993 69 I CB 2.224 40.286 38.000 0.104 0.000 1.237 69 I HN 1.155 nan 8.210 nan 0.000 0.443 70 A N 2.064 124.967 122.820 0.139 0.000 2.612 70 A HA 0.798 5.118 4.320 -0.000 0.000 0.293 70 A C -1.794 175.911 177.584 0.201 0.000 1.075 70 A CA -0.414 51.709 52.037 0.143 0.000 0.680 70 A CB 1.799 20.862 19.000 0.105 0.000 1.279 70 A HN 1.004 nan 8.150 nan 0.000 0.411 71 H N -0.208 118.892 119.070 0.050 0.000 3.046 71 H HA 0.711 5.267 4.556 -0.000 0.000 0.361 71 H C -1.830 173.479 175.328 -0.031 0.000 1.235 71 H CA 0.367 56.418 56.048 0.004 0.000 1.146 71 H CB 2.373 32.146 29.762 0.019 0.000 1.859 71 H HN 0.871 nan 8.280 nan 0.000 0.548 72 T N 2.933 117.190 114.554 -0.496 0.000 2.952 72 T HA 0.508 4.858 4.350 -0.000 0.000 0.305 72 T C -1.290 173.138 174.700 -0.454 0.000 1.064 72 T CA -0.836 61.089 62.100 -0.292 0.000 1.008 72 T CB 0.964 69.743 68.868 -0.149 0.000 1.078 72 T HN 0.779 nan 8.240 nan 0.000 0.459 73 R N 3.132 123.508 120.500 -0.208 0.000 2.725 73 R HA 0.521 4.861 4.340 -0.000 0.000 0.277 73 R C -1.783 174.503 176.300 -0.023 0.000 0.987 73 R CA -0.952 55.064 56.100 -0.139 0.000 0.901 73 R CB 1.093 31.387 30.300 -0.009 0.000 1.207 73 R HN 0.555 nan 8.270 nan 0.000 0.463 74 W N 3.861 125.028 121.300 -0.221 0.000 2.342 74 W HA 0.542 5.202 4.660 -0.000 0.000 0.310 74 W C -1.122 175.307 176.519 -0.149 0.000 1.128 74 W CA -1.304 55.895 57.345 -0.243 0.000 1.322 74 W CB 0.657 29.962 29.460 -0.258 0.000 1.251 74 W HN 0.721 nan 8.180 nan 0.000 0.439 75 A N 4.975 127.942 122.820 0.244 0.000 2.354 75 A HA 0.435 4.755 4.320 -0.000 0.000 0.281 75 A C 0.750 178.334 177.584 0.001 0.000 1.174 75 A CA 0.091 52.191 52.037 0.105 0.000 0.828 75 A CB 0.645 19.712 19.000 0.112 0.000 1.099 75 A HN 0.685 nan 8.150 nan 0.000 0.516 76 T N 1.466 115.887 114.554 -0.221 0.000 2.914 76 T HA 0.097 4.447 4.350 -0.000 0.000 0.240 76 T C 0.336 174.881 174.700 -0.258 0.000 1.025 76 T CA 1.119 62.974 62.100 -0.408 0.000 1.198 76 T CB -0.443 67.978 68.868 -0.746 0.000 0.892 76 T HN 0.839 nan 8.240 nan 0.000 0.417 77 H N 0.810 119.834 119.070 -0.076 0.000 2.848 77 H HA 0.491 5.047 4.556 -0.000 0.000 0.341 77 H C 1.028 176.342 175.328 -0.023 0.000 1.060 77 H CA 0.032 56.048 56.048 -0.054 0.000 1.444 77 H CB -0.484 29.241 29.762 -0.061 0.000 1.446 77 H HN 0.581 nan 8.280 nan 0.000 0.583 78 G N 1.869 110.726 108.800 0.096 0.000 2.954 78 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.672 78 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.672 78 G C -0.495 174.439 174.900 0.057 0.000 1.598 78 G CA -0.586 44.552 45.100 0.063 0.000 1.063 78 G HN 0.810 nan 8.290 nan 0.000 0.584 79 E N 2.003 122.230 120.200 0.044 0.000 2.529 79 E HA 0.296 4.646 4.350 -0.000 0.000 0.259 79 E C -1.366 175.270 176.600 0.061 0.000 0.966 79 E CA -0.047 56.381 56.400 0.046 0.000 0.937 79 E CB 0.308 30.030 29.700 0.036 0.000 0.923 79 E HN 0.491 nan 8.360 nan 0.000 0.468 80 P HA -0.059 nan 4.420 nan 0.000 0.266 80 P C -0.839 176.506 177.300 0.075 0.000 1.186 80 P CA 0.152 63.301 63.100 0.081 0.000 0.767 80 P CB 0.823 32.568 31.700 0.075 0.000 0.820 81 S N -0.112 115.640 115.700 0.087 0.000 2.537 81 S HA 0.167 4.637 4.470 -0.000 0.000 0.270 81 S C 0.777 175.428 174.600 0.086 0.000 1.142 81 S CA -0.664 57.582 58.200 0.078 0.000 0.870 81 S CB 1.530 64.774 63.200 0.072 0.000 1.112 81 S HN 0.508 nan 8.310 nan 0.000 0.466 82 E N 1.802 122.043 120.200 0.069 0.000 2.150 82 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 82 E C 1.542 178.177 176.600 0.059 0.000 0.985 82 E CA 1.704 58.140 56.400 0.061 0.000 0.814 82 E CB -0.196 29.532 29.700 0.047 0.000 0.752 82 E HN 0.618 nan 8.360 nan 0.000 0.466 83 V N 1.041 120.997 119.914 0.069 0.000 2.453 83 V HA -0.276 3.844 4.120 -0.000 0.000 0.252 83 V C 1.390 177.572 176.094 0.146 0.000 1.068 83 V CA 2.235 64.585 62.300 0.084 0.000 1.070 83 V CB -0.759 31.115 31.823 0.085 0.000 0.664 83 V HN 0.287 nan 8.190 nan 0.000 0.461 84 N N 0.056 118.858 118.700 0.170 0.000 2.325 84 N HA 0.367 5.107 4.740 -0.000 0.000 0.182 84 N C 0.777 176.488 175.510 0.334 0.000 1.088 84 N CA 0.443 53.662 53.050 0.282 0.000 0.879 84 N CB 0.028 38.644 38.487 0.216 0.000 0.983 84 N HN 0.503 nan 8.380 nan 0.000 0.471 85 A N 1.039 123.963 122.820 0.174 0.000 2.531 85 A HA 0.002 4.322 4.320 -0.000 0.000 0.236 85 A C -0.148 177.483 177.584 0.077 0.000 1.062 85 A CA 0.218 52.355 52.037 0.166 0.000 0.760 85 A CB -0.037 19.016 19.000 0.088 0.000 0.995 85 A HN 0.318 nan 8.150 nan 0.000 0.501 86 H N 1.606 120.648 119.070 -0.047 0.000 2.546 86 H HA 0.239 4.795 4.556 -0.000 0.000 0.365 86 H C -2.160 173.111 175.328 -0.094 0.000 1.220 86 H CA -1.736 54.224 56.048 -0.146 0.000 1.386 86 H CB 0.438 30.083 29.762 -0.196 0.000 1.510 86 H HN 0.443 nan 8.280 nan 0.000 0.591 87 P HA 0.025 nan 4.420 nan 0.000 0.272 87 P C -0.442 176.673 177.300 -0.308 0.000 1.230 87 P CA 0.266 63.326 63.100 -0.067 0.000 0.788 87 P CB 0.720 32.416 31.700 -0.008 0.000 0.949 88 H N -0.514 118.466 119.070 -0.150 0.000 2.567 88 H HA 0.523 5.079 4.556 -0.000 0.000 0.345 88 H C -0.182 175.048 175.328 -0.162 0.000 1.169 88 H CA -0.572 55.374 56.048 -0.170 0.000 1.227 88 H CB 1.706 31.315 29.762 -0.256 0.000 1.607 88 H HN 0.172 nan 8.280 nan 0.000 0.534 89 V N -0.973 118.909 119.914 -0.054 0.000 3.040 89 V HA 0.595 4.715 4.120 -0.000 0.000 0.312 89 V C -0.164 175.855 176.094 -0.126 0.000 1.115 89 V CA -0.830 61.419 62.300 -0.086 0.000 0.998 89 V CB 2.081 33.867 31.823 -0.062 0.000 1.042 89 V HN 0.662 nan 8.190 nan 0.000 0.433 90 S N 1.177 116.812 115.700 -0.109 0.000 2.383 90 S HA 0.481 4.951 4.470 -0.000 0.000 0.196 90 S C 0.020 174.551 174.600 -0.115 0.000 1.364 90 S CA 0.287 58.478 58.200 -0.015 0.000 1.212 90 S CB -0.402 62.828 63.200 0.050 0.000 1.171 90 S HN 1.158 nan 8.310 nan 0.000 0.456 91 E N 1.890 122.055 120.200 -0.057 0.000 3.221 91 E HA -0.336 4.014 4.350 -0.000 0.000 0.410 91 E C 0.591 177.148 176.600 -0.072 0.000 1.531 91 E CA 2.135 58.503 56.400 -0.053 0.000 1.285 91 E CB -1.151 28.535 29.700 -0.023 0.000 1.542 91 E HN 0.934 nan 8.360 nan 0.000 0.482 92 H N 1.058 120.136 119.070 0.013 0.000 2.502 92 H HA 0.118 4.674 4.556 -0.000 0.000 0.283 92 H C 1.040 176.372 175.328 0.007 0.000 1.015 92 H CA 0.654 56.700 56.048 -0.003 0.000 1.298 92 H CB -0.068 29.692 29.762 -0.004 0.000 1.411 92 H HN 0.129 nan 8.280 nan 0.000 0.556 93 I N 2.966 123.377 120.570 -0.265 0.000 2.529 93 I HA 0.091 4.261 4.170 -0.000 0.000 0.284 93 I C 0.115 176.191 176.117 -0.069 0.000 1.082 93 I CA -0.395 60.846 61.300 -0.098 0.000 1.406 93 I CB 1.413 39.331 38.000 -0.135 0.000 1.405 93 I HN -0.082 nan 8.210 nan 0.000 0.548 94 V N 6.910 126.809 119.914 -0.025 0.000 2.709 94 V HA 0.612 4.732 4.120 -0.000 0.000 0.308 94 V C -0.166 175.924 176.094 -0.007 0.000 1.062 94 V CA -0.665 61.621 62.300 -0.024 0.000 0.901 94 V CB 2.557 34.376 31.823 -0.007 0.000 1.003 94 V HN 0.479 nan 8.190 nan 0.000 0.425 95 V N 4.155 124.060 119.914 -0.015 0.000 2.841 95 V HA 0.737 4.857 4.120 -0.000 0.000 0.310 95 V C -0.542 175.563 176.094 0.018 0.000 1.090 95 V CA -0.705 61.596 62.300 0.002 0.000 0.930 95 V CB 2.322 34.119 31.823 -0.044 0.000 1.014 95 V HN 0.840 nan 8.190 nan 0.000 0.425 96 V N 0.904 120.871 119.914 0.088 0.000 2.864 96 V HA 0.866 4.986 4.120 -0.000 0.000 0.314 96 V C -0.802 175.437 176.094 0.243 0.000 1.073 96 V CA -0.350 62.047 62.300 0.162 0.000 0.956 96 V CB 1.950 33.918 31.823 0.242 0.000 1.023 96 V HN 1.193 nan 8.190 nan 0.000 0.435 97 H N 1.448 120.615 119.070 0.162 0.000 3.037 97 H HA 0.619 5.175 4.556 -0.000 0.000 0.355 97 H C -2.008 173.503 175.328 0.305 0.000 1.263 97 H CA -0.803 55.368 56.048 0.207 0.000 1.129 97 H CB 2.233 32.069 29.762 0.124 0.000 1.861 97 H HN 0.682 nan 8.280 nan 0.000 0.546 98 N N -0.328 118.359 118.700 -0.022 0.000 2.292 98 N HA 0.566 5.306 4.740 -0.000 0.000 0.303 98 N C 0.479 176.048 175.510 0.098 0.000 1.140 98 N CA 1.114 54.120 53.050 -0.073 0.000 0.788 98 N CB 2.066 40.586 38.487 0.055 0.000 1.361 98 N HN 1.148 nan 8.380 nan 0.000 0.489 99 G N 0.553 109.403 108.800 0.083 0.000 2.484 99 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.225 99 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.225 99 G C -1.316 173.770 174.900 0.310 0.000 1.250 99 G CA -0.405 44.814 45.100 0.199 0.000 0.926 99 G HN 0.581 nan 8.290 nan 0.000 0.581 100 I N 0.179 120.933 120.570 0.307 0.000 2.656 100 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 100 I C -0.932 175.268 176.117 0.139 0.000 1.144 100 I CA -1.000 60.437 61.300 0.228 0.000 1.038 100 I CB 1.675 39.765 38.000 0.150 0.000 1.244 100 I HN 0.533 nan 8.210 nan 0.000 0.420 101 I N 6.941 127.517 120.570 0.011 0.000 2.282 101 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 101 I C 1.212 177.320 176.117 -0.014 0.000 1.090 101 I CA -0.142 61.098 61.300 -0.102 0.000 1.231 101 I CB 0.496 38.344 38.000 -0.254 0.000 1.434 101 I HN 0.618 nan 8.210 nan 0.000 0.487 102 E N 4.352 124.562 120.200 0.015 0.000 2.160 102 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 102 E C 1.147 177.752 176.600 0.008 0.000 0.991 102 E CA 1.330 57.746 56.400 0.025 0.000 0.810 102 E CB -0.008 29.715 29.700 0.040 0.000 0.742 102 E HN 0.749 nan 8.360 nan 0.000 0.466 103 N N -0.705 117.986 118.700 -0.015 0.000 2.451 103 N HA -0.031 4.709 4.740 -0.000 0.000 0.264 103 N C 1.375 176.859 175.510 -0.043 0.000 1.167 103 N CA -0.207 52.827 53.050 -0.027 0.000 0.898 103 N CB 0.113 38.576 38.487 -0.039 0.000 1.176 103 N HN 0.059 nan 8.380 nan 0.000 0.507 104 H N 1.443 120.433 119.070 -0.132 0.000 2.325 104 H HA -0.220 4.336 4.556 -0.000 0.000 0.293 104 H C 1.413 176.636 175.328 -0.176 0.000 1.106 104 H CA 2.102 58.048 56.048 -0.170 0.000 1.247 104 H CB 0.267 29.923 29.762 -0.178 0.000 1.359 104 H HN 0.422 nan 8.280 nan 0.000 0.488 105 E N 0.350 120.626 120.200 0.126 0.000 2.028 105 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 105 E C -0.609 175.958 176.600 -0.055 0.000 0.984 105 E CA 1.230 57.670 56.400 0.068 0.000 0.800 105 E CB -1.110 28.596 29.700 0.010 0.000 0.758 105 E HN 0.484 nan 8.360 nan 0.000 0.448 106 P HA -0.141 nan 4.420 nan 0.000 0.215 106 P C 1.599 178.828 177.300 -0.118 0.000 1.153 106 P CA 1.138 64.188 63.100 -0.083 0.000 0.853 106 P CB -0.049 31.611 31.700 -0.066 0.000 0.788 107 L N -0.564 120.571 121.223 -0.146 0.000 2.046 107 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 107 L C 3.148 179.906 176.870 -0.187 0.000 1.077 107 L CA 1.535 56.270 54.840 -0.175 0.000 0.747 107 L CB -0.704 41.234 42.059 -0.201 0.000 0.896 107 L HN -0.090 nan 8.230 nan 0.000 0.432 108 R N -0.003 120.333 120.500 -0.274 0.000 2.083 108 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 108 R C 2.257 178.435 176.300 -0.204 0.000 1.137 108 R CA 1.531 57.414 56.100 -0.361 0.000 0.951 108 R CB -0.058 29.891 30.300 -0.585 0.000 0.851 108 R HN 0.171 nan 8.270 nan 0.000 0.434 109 E N 0.592 120.697 120.200 -0.158 0.000 2.085 109 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 109 E C 1.694 178.253 176.600 -0.067 0.000 0.994 109 E CA 1.684 58.024 56.400 -0.099 0.000 0.801 109 E CB -0.145 29.504 29.700 -0.084 0.000 0.743 109 E HN 0.585 nan 8.360 nan 0.000 0.453 110 E N -0.048 120.097 120.200 -0.092 0.000 2.208 110 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 110 E C 2.042 178.579 176.600 -0.104 0.000 0.988 110 E CA 0.548 56.879 56.400 -0.114 0.000 0.828 110 E CB -0.048 29.557 29.700 -0.159 0.000 0.763 110 E HN 0.190 nan 8.360 nan 0.000 0.478 111 L N 0.311 121.513 121.223 -0.035 0.000 2.095 111 L HA -0.052 4.288 4.340 -0.000 0.000 0.204 111 L C 2.591 179.608 176.870 0.244 0.000 1.080 111 L CA 0.882 55.771 54.840 0.082 0.000 0.759 111 L CB -0.301 41.788 42.059 0.049 0.000 0.914 111 L HN 0.017 nan 8.230 nan 0.000 0.439 112 K N 0.636 121.194 120.400 0.264 0.000 2.052 112 K HA -0.244 4.076 4.320 -0.000 0.000 0.215 112 K C 2.009 178.652 176.600 0.071 0.000 1.053 112 K CA 2.000 58.406 56.287 0.198 0.000 0.934 112 K CB -0.490 32.080 32.500 0.117 0.000 0.717 112 K HN 0.304 nan 8.250 nan 0.000 0.450 113 A N -0.036 122.796 122.820 0.020 0.000 2.121 113 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 113 A C 1.845 179.408 177.584 -0.036 0.000 1.154 113 A CA 1.294 53.320 52.037 -0.018 0.000 0.679 113 A CB -0.290 18.689 19.000 -0.036 0.000 0.795 113 A HN 0.271 nan 8.150 nan 0.000 0.458 114 R N -1.762 118.716 120.500 -0.036 0.000 2.276 114 R HA 0.199 4.539 4.340 -0.000 0.000 0.196 114 R C 1.201 177.420 176.300 -0.136 0.000 0.961 114 R CA 0.682 56.745 56.100 -0.062 0.000 1.024 114 R CB 0.132 30.378 30.300 -0.089 0.000 0.940 114 R HN 0.624 nan 8.270 nan 0.000 0.480 115 G N -1.130 107.583 108.800 -0.145 0.000 2.198 115 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.156 115 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.156 115 G C -0.381 174.313 174.900 -0.344 0.000 1.012 115 G CA -0.776 44.188 45.100 -0.228 0.000 0.692 115 G HN 0.129 nan 8.290 nan 0.000 0.492 116 Y N 1.496 121.674 120.300 -0.203 0.000 2.326 116 Y HA 0.540 5.090 4.550 -0.000 0.000 0.333 116 Y C 1.198 176.920 175.900 -0.296 0.000 1.240 116 Y CA 0.636 58.473 58.100 -0.439 0.000 1.365 116 Y CB 1.017 38.965 38.460 -0.853 0.000 1.289 116 Y HN 0.022 nan 8.280 nan 0.000 0.548 117 T N 3.509 117.949 114.554 -0.190 0.000 2.823 117 T HA 0.450 4.800 4.350 -0.000 0.000 0.279 117 T C -1.108 173.579 174.700 -0.023 0.000 0.998 117 T CA -0.616 61.473 62.100 -0.018 0.000 0.994 117 T CB 0.270 69.138 68.868 -0.000 0.000 0.960 117 T HN 0.201 nan 8.240 nan 0.000 0.448 118 F N 2.225 122.252 119.950 0.128 0.000 2.404 118 F HA 0.334 4.861 4.527 -0.000 0.000 0.354 118 F C 1.345 177.199 175.800 0.091 0.000 1.122 118 F CA -0.822 57.267 58.000 0.147 0.000 1.080 118 F CB 1.425 40.476 39.000 0.086 0.000 1.131 118 F HN 0.417 nan 8.300 nan 0.000 0.471 119 V N -0.233 119.805 119.914 0.208 0.000 3.174 119 V HA 0.150 4.270 4.120 -0.000 0.000 0.254 119 V C 0.608 176.791 176.094 0.149 0.000 1.120 119 V CA 1.004 63.393 62.300 0.148 0.000 1.114 119 V CB -0.292 31.596 31.823 0.109 0.000 0.756 119 V HN 0.608 nan 8.190 nan 0.000 0.467 120 S N 0.670 116.470 115.700 0.168 0.000 2.745 120 S HA 0.627 5.097 4.470 -0.000 0.000 0.306 120 S C -0.150 174.497 174.600 0.079 0.000 1.137 120 S CA -0.100 58.169 58.200 0.114 0.000 0.900 120 S CB 1.962 65.228 63.200 0.109 0.000 1.176 120 S HN 0.318 nan 8.310 nan 0.000 0.520 121 E N 0.159 120.361 120.200 0.004 0.000 2.558 121 E HA 0.271 4.621 4.350 -0.000 0.000 0.205 121 E C 0.197 176.756 176.600 -0.070 0.000 1.006 121 E CA -0.283 56.087 56.400 -0.050 0.000 0.961 121 E CB 0.396 30.013 29.700 -0.140 0.000 1.044 121 E HN 0.559 nan 8.360 nan 0.000 0.465 122 T N 0.003 114.502 114.554 -0.092 0.000 2.860 122 T HA 0.002 4.352 4.350 -0.000 0.000 0.299 122 T C 0.642 175.294 174.700 -0.079 0.000 1.045 122 T CA -0.328 61.696 62.100 -0.128 0.000 1.071 122 T CB 0.653 69.367 68.868 -0.258 0.000 0.985 122 T HN -0.079 nan 8.240 nan 0.000 0.537 123 D N 1.804 122.172 120.400 -0.053 0.000 2.178 123 D HA -0.041 4.599 4.640 -0.000 0.000 0.202 123 D C 2.168 178.200 176.300 -0.446 0.000 0.974 123 D CA 1.253 55.147 54.000 -0.177 0.000 0.841 123 D CB -0.406 40.217 40.800 -0.296 0.000 0.953 123 D HN 0.674 nan 8.370 nan 0.000 0.478 124 T N 0.571 114.841 114.554 -0.473 0.000 2.699 124 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 124 T C 1.773 176.212 174.700 -0.434 0.000 1.036 124 T CA 1.317 63.140 62.100 -0.461 0.000 1.147 124 T CB -0.146 68.436 68.868 -0.477 0.000 0.862 124 T HN 0.297 nan 8.240 nan 0.000 0.446 125 E N 0.294 120.178 120.200 -0.526 0.000 2.208 125 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 125 E C 2.151 178.519 176.600 -0.387 0.000 0.988 125 E CA 0.410 56.522 56.400 -0.481 0.000 0.828 125 E CB 0.019 29.468 29.700 -0.418 0.000 0.763 125 E HN 0.297 nan 8.360 nan 0.000 0.478 126 V N 1.226 120.991 119.914 -0.248 0.000 2.295 126 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 126 V C 2.293 178.233 176.094 -0.258 0.000 1.049 126 V CA 1.618 63.798 62.300 -0.200 0.000 1.024 126 V CB -0.386 31.190 31.823 -0.411 0.000 0.648 126 V HN 0.326 nan 8.190 nan 0.000 0.447 127 I N 0.569 120.955 120.570 -0.306 0.000 2.226 127 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 127 I C 2.699 178.692 176.117 -0.206 0.000 1.100 127 I CA 1.511 62.660 61.300 -0.252 0.000 1.374 127 I CB -0.678 37.166 38.000 -0.260 0.000 1.057 127 I HN 0.282 nan 8.210 nan 0.000 0.413 128 A N 0.380 123.046 122.820 -0.257 0.000 1.883 128 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 128 A C 2.204 179.639 177.584 -0.248 0.000 1.186 128 A CA 1.790 53.678 52.037 -0.248 0.000 0.624 128 A CB -0.927 17.892 19.000 -0.302 0.000 0.822 128 A HN 0.409 nan 8.150 nan 0.000 0.444 129 H N -1.158 117.686 119.070 -0.376 0.000 2.423 129 H HA -0.057 4.499 4.556 -0.000 0.000 0.297 129 H C 1.978 176.964 175.328 -0.571 0.000 1.075 129 H CA 1.537 57.180 56.048 -0.675 0.000 1.342 129 H CB -0.437 28.714 29.762 -1.018 0.000 1.395 129 H HN 0.423 nan 8.280 nan 0.000 0.530 130 L N 0.170 121.272 121.223 -0.203 0.000 2.044 130 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 130 L C 2.322 179.222 176.870 0.049 0.000 1.075 130 L CA 1.107 55.904 54.840 -0.072 0.000 0.747 130 L CB -0.747 41.264 42.059 -0.081 0.000 0.903 130 L HN -0.036 nan 8.230 nan 0.000 0.435 131 V N 0.660 120.570 119.914 -0.007 0.000 2.343 131 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 131 V C 2.570 178.696 176.094 0.053 0.000 1.051 131 V CA 1.960 64.275 62.300 0.025 0.000 1.036 131 V CB -1.071 30.751 31.823 -0.001 0.000 0.654 131 V HN 0.648 nan 8.190 nan 0.000 0.451 132 N N -0.937 117.781 118.700 0.029 0.000 2.061 132 N HA -0.281 4.459 4.740 -0.000 0.000 0.193 132 N C 1.811 177.447 175.510 0.210 0.000 1.030 132 N CA 2.360 55.463 53.050 0.087 0.000 0.856 132 N CB -0.251 38.286 38.487 0.084 0.000 1.023 132 N HN 0.670 nan 8.380 nan 0.000 0.424 133 W N 2.081 123.418 121.300 0.062 0.000 2.381 133 W HA -0.027 4.633 4.660 -0.000 0.000 0.301 133 W C 2.180 178.741 176.519 0.070 0.000 1.205 133 W CA 0.972 58.397 57.345 0.134 0.000 1.285 133 W CB -0.254 29.274 29.460 0.113 0.000 1.133 133 W HN 0.037 nan 8.180 nan 0.000 0.521 134 E N 0.283 120.541 120.200 0.096 0.000 2.204 134 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 134 E C 2.142 178.647 176.600 -0.158 0.000 0.990 134 E CA 1.208 57.544 56.400 -0.106 0.000 0.821 134 E CB -0.685 29.029 29.700 0.024 0.000 0.750 134 E HN 0.414 nan 8.360 nan 0.000 0.477 135 L N 0.238 121.425 121.223 -0.059 0.000 2.509 135 L HA 0.007 4.346 4.340 -0.000 0.000 0.222 135 L C 2.137 178.975 176.870 -0.052 0.000 1.123 135 L CA 0.300 55.126 54.840 -0.024 0.000 0.856 135 L CB 0.054 42.169 42.059 0.092 0.000 0.985 135 L HN -0.061 nan 8.230 nan 0.000 0.456 136 K N 0.421 120.756 120.400 -0.109 0.000 2.442 136 K HA -0.192 4.128 4.320 -0.000 0.000 0.198 136 K C 1.741 178.264 176.600 -0.129 0.000 1.042 136 K CA 1.076 57.307 56.287 -0.093 0.000 0.958 136 K CB 0.157 32.575 32.500 -0.137 0.000 0.766 136 K HN 0.520 nan 8.250 nan 0.000 0.474 137 Q N -1.132 118.563 119.800 -0.174 0.000 2.424 137 Q HA 0.106 4.446 4.340 -0.000 0.000 0.204 137 Q C 0.672 176.615 176.000 -0.095 0.000 0.933 137 Q CA 0.693 56.411 55.803 -0.141 0.000 0.929 137 Q CB 0.481 29.119 28.738 -0.168 0.000 1.037 137 Q HN 0.120 nan 8.270 nan 0.000 0.511 138 G N -0.266 108.484 108.800 -0.085 0.000 2.356 138 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.233 138 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.233 138 G C 0.145 175.001 174.900 -0.072 0.000 1.105 138 G CA -0.407 44.653 45.100 -0.065 0.000 0.861 138 G HN 0.672 nan 8.290 nan 0.000 0.493 139 G N -0.623 108.130 108.800 -0.079 0.000 2.695 139 G HA2 0.863 4.823 3.960 -0.000 0.000 0.213 139 G HA3 0.863 4.823 3.960 -0.000 0.000 0.213 139 G C 0.648 175.490 174.900 -0.097 0.000 1.406 139 G CA 0.588 45.637 45.100 -0.084 0.000 1.049 139 G HN 1.351 nan 8.290 nan 0.000 0.573 140 T N -1.396 113.097 114.554 -0.102 0.000 2.913 140 T HA 0.301 4.651 4.350 -0.000 0.000 0.287 140 T C 1.413 176.063 174.700 -0.082 0.000 1.008 140 T CA -0.465 61.566 62.100 -0.114 0.000 1.067 140 T CB 1.538 70.338 68.868 -0.113 0.000 0.996 140 T HN 0.365 nan 8.240 nan 0.000 0.513 141 L N 0.958 122.143 121.223 -0.064 0.000 2.081 141 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 141 L C 2.785 179.628 176.870 -0.046 0.000 1.080 141 L CA 1.840 56.666 54.840 -0.023 0.000 0.754 141 L CB -0.882 41.183 42.059 0.010 0.000 0.893 141 L HN 0.872 nan 8.230 nan 0.000 0.433 142 R N -0.440 120.011 120.500 -0.083 0.000 2.073 142 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 142 R C 2.161 178.372 176.300 -0.148 0.000 1.134 142 R CA 1.924 57.942 56.100 -0.137 0.000 0.952 142 R CB -0.258 29.911 30.300 -0.218 0.000 0.850 142 R HN 0.544 nan 8.270 nan 0.000 0.433 143 E N -0.150 119.972 120.200 -0.130 0.000 2.085 143 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 143 E C 1.917 178.470 176.600 -0.078 0.000 0.994 143 E CA 1.359 57.691 56.400 -0.112 0.000 0.801 143 E CB -0.119 29.522 29.700 -0.098 0.000 0.743 143 E HN 0.492 nan 8.360 nan 0.000 0.453 144 A N 0.686 123.470 122.820 -0.060 0.000 1.929 144 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 144 A C 2.444 180.021 177.584 -0.013 0.000 1.176 144 A CA 0.853 52.869 52.037 -0.035 0.000 0.628 144 A CB -0.363 18.625 19.000 -0.020 0.000 0.816 144 A HN 0.111 nan 8.150 nan 0.000 0.444 145 V N 0.048 119.950 119.914 -0.020 0.000 2.358 145 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 145 V C 2.519 178.614 176.094 0.003 0.000 1.047 145 V CA 1.732 64.032 62.300 0.001 0.000 1.035 145 V CB -0.715 31.110 31.823 0.002 0.000 0.658 145 V HN 0.562 nan 8.190 nan 0.000 0.452 146 L N -0.532 120.671 121.223 -0.034 0.000 2.079 146 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 146 L C 2.755 179.625 176.870 0.001 0.000 1.081 146 L CA 1.699 56.522 54.840 -0.028 0.000 0.752 146 L CB -0.520 41.494 42.059 -0.076 0.000 0.896 146 L HN 0.235 nan 8.230 nan 0.000 0.433 147 R N -0.657 119.844 120.500 0.001 0.000 2.115 147 R HA -0.061 4.279 4.340 -0.000 0.000 0.226 147 R C 2.347 178.680 176.300 0.055 0.000 1.100 147 R CA 1.105 57.221 56.100 0.026 0.000 0.980 147 R CB -0.270 30.041 30.300 0.017 0.000 0.875 147 R HN 0.356 nan 8.270 nan 0.000 0.445 148 A N 1.265 124.115 122.820 0.050 0.000 1.874 148 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 148 A C 2.002 179.618 177.584 0.053 0.000 1.189 148 A CA 0.701 52.772 52.037 0.057 0.000 0.615 148 A CB -0.185 18.840 19.000 0.042 0.000 0.830 148 A HN 0.030 nan 8.150 nan 0.000 0.443 149 I N 0.546 121.159 120.570 0.071 0.000 2.151 149 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 149 I C -0.555 175.627 176.117 0.110 0.000 1.080 149 I CA 1.523 62.894 61.300 0.118 0.000 1.339 149 I CB -2.500 35.579 38.000 0.131 0.000 1.039 149 I HN 0.170 nan 8.210 nan 0.000 0.409 150 P HA -0.165 nan 4.420 nan 0.000 0.220 150 P C 1.494 178.825 177.300 0.052 0.000 1.144 150 P CA 1.352 64.491 63.100 0.065 0.000 0.800 150 P CB -0.124 31.607 31.700 0.052 0.000 0.772 151 Q N -1.433 118.391 119.800 0.040 0.000 2.424 151 Q HA 0.119 4.459 4.340 -0.000 0.000 0.204 151 Q C 0.355 176.343 176.000 -0.020 0.000 0.933 151 Q CA 0.130 55.939 55.803 0.010 0.000 0.929 151 Q CB 0.026 28.768 28.738 0.006 0.000 1.037 151 Q HN 0.301 nan 8.270 nan 0.000 0.511 152 L N 1.334 122.550 121.223 -0.012 0.000 2.275 152 L HA 0.535 4.875 4.340 -0.000 0.000 0.288 152 L C 0.217 177.118 176.870 0.051 0.000 1.046 152 L CA -0.527 54.272 54.840 -0.067 0.000 0.805 152 L CB 0.834 42.761 42.059 -0.219 0.000 1.193 152 L HN 0.018 nan 8.230 nan 0.000 0.426 153 R N 2.243 122.760 120.500 0.028 0.000 2.514 153 R HA 0.925 5.265 4.340 -0.000 0.000 0.301 153 R C 0.117 176.486 176.300 0.115 0.000 0.962 153 R CA -0.015 56.140 56.100 0.092 0.000 0.882 153 R CB 1.534 31.864 30.300 0.049 0.000 1.143 153 R HN 0.965 nan 8.270 nan 0.000 0.452 154 G N -0.894 108.025 108.800 0.198 0.000 2.325 154 G HA2 0.524 4.484 3.960 -0.000 0.000 0.285 154 G HA3 0.524 4.484 3.960 -0.000 0.000 0.285 154 G C -1.094 173.977 174.900 0.285 0.000 1.303 154 G CA 0.043 45.266 45.100 0.205 0.000 0.970 154 G HN 1.824 nan 8.290 nan 0.000 0.490 155 A N 0.335 123.302 122.820 0.246 0.000 2.316 155 A HA 0.861 5.181 4.320 -0.000 0.000 0.324 155 A C -0.575 177.160 177.584 0.253 0.000 1.375 155 A CA 0.006 52.142 52.037 0.164 0.000 0.882 155 A CB -0.273 18.783 19.000 0.093 0.000 1.152 155 A HN 2.145 nan 8.150 nan 0.000 0.512 156 Y N -0.385 119.970 120.300 0.092 0.000 2.638 156 Y HA 0.824 5.374 4.550 -0.000 0.000 0.335 156 Y C -0.110 175.864 175.900 0.124 0.000 1.155 156 Y CA -1.107 57.077 58.100 0.140 0.000 1.046 156 Y CB 0.841 39.407 38.460 0.177 0.000 1.303 156 Y HN 0.682 nan 8.280 nan 0.000 0.460 157 G N 0.230 109.176 108.800 0.242 0.000 2.617 157 G HA2 0.536 4.496 3.960 -0.000 0.000 0.306 157 G HA3 0.536 4.496 3.960 -0.000 0.000 0.306 157 G C -1.706 173.385 174.900 0.319 0.000 1.360 157 G CA -0.929 44.263 45.100 0.152 0.000 0.983 157 G HN 0.820 nan 8.290 nan 0.000 0.496 158 T N 0.052 114.768 114.554 0.270 0.000 2.933 158 T HA 0.570 4.920 4.350 -0.000 0.000 0.305 158 T C -1.122 173.687 174.700 0.181 0.000 1.092 158 T CA -0.312 61.951 62.100 0.272 0.000 1.008 158 T CB 1.705 70.759 68.868 0.310 0.000 1.102 158 T HN 0.505 nan 8.240 nan 0.000 0.469 159 V N 5.886 125.897 119.914 0.162 0.000 2.495 159 V HA 0.663 4.783 4.120 -0.000 0.000 0.298 159 V C -0.337 175.816 176.094 0.100 0.000 1.031 159 V CA -0.706 61.668 62.300 0.124 0.000 0.871 159 V CB 1.429 33.326 31.823 0.124 0.000 0.988 159 V HN 0.791 nan 8.190 nan 0.000 0.432 160 I N 4.784 125.402 120.570 0.080 0.000 2.647 160 I HA 0.667 4.837 4.170 -0.000 0.000 0.295 160 I C -0.538 175.613 176.117 0.057 0.000 1.078 160 I CA -0.595 60.740 61.300 0.059 0.000 1.048 160 I CB 2.207 40.237 38.000 0.050 0.000 1.239 160 I HN 0.627 nan 8.210 nan 0.000 0.421 161 M N 4.620 124.251 119.600 0.052 0.000 2.378 161 M HA 0.435 4.915 4.480 -0.000 0.000 0.289 161 M C -2.258 174.085 176.300 0.071 0.000 1.136 161 M CA -0.427 54.909 55.300 0.059 0.000 0.917 161 M CB 2.388 35.019 32.600 0.051 0.000 1.669 161 M HN 0.500 nan 8.290 nan 0.000 0.461 162 D N 1.982 122.441 120.400 0.099 0.000 2.414 162 D HA 0.290 4.929 4.640 -0.000 0.000 0.232 162 D C 0.688 177.051 176.300 0.105 0.000 1.070 162 D CA -0.088 54.001 54.000 0.149 0.000 0.839 162 D CB 1.611 42.537 40.800 0.210 0.000 1.079 162 D HN 0.695 nan 8.370 nan 0.000 0.521 163 S N 3.780 119.529 115.700 0.082 0.000 2.474 163 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 163 S C 1.545 176.118 174.600 -0.044 0.000 0.997 163 S CA 0.484 58.698 58.200 0.023 0.000 0.949 163 S CB -0.062 63.142 63.200 0.008 0.000 0.766 163 S HN 0.496 nan 8.310 nan 0.000 0.517 164 R N 0.166 120.606 120.500 -0.100 0.000 2.235 164 R HA 0.108 4.448 4.340 -0.000 0.000 0.213 164 R C -0.029 175.899 176.300 -0.620 0.000 1.059 164 R CA 0.955 56.837 56.100 -0.364 0.000 0.997 164 R CB -0.097 29.915 30.300 -0.480 0.000 0.884 164 R HN 0.629 nan 8.270 nan 0.000 0.462 165 H N -0.677 118.395 119.070 0.003 0.000 2.488 165 H HA 0.147 4.703 4.556 -0.000 0.000 0.237 165 H C -2.034 173.302 175.328 0.012 0.000 1.395 165 H CA -1.577 54.472 56.048 0.002 0.000 1.491 165 H CB 1.267 31.025 29.762 -0.006 0.000 1.567 165 H HN -0.025 nan 8.280 nan 0.000 0.508 166 P HA -0.076 nan 4.420 nan 0.000 0.242 166 P C 0.254 177.585 177.300 0.051 0.000 1.197 166 P CA 0.547 63.679 63.100 0.053 0.000 0.765 166 P CB 0.267 31.987 31.700 0.033 0.000 0.936 167 D N -1.497 118.941 120.400 0.064 0.000 2.348 167 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 167 D C 0.101 176.421 176.300 0.034 0.000 0.970 167 D CA 0.747 54.773 54.000 0.044 0.000 0.889 167 D CB -0.541 40.290 40.800 0.051 0.000 0.912 167 D HN 0.000 nan 8.370 nan 0.000 0.524 168 T N -0.057 114.525 114.554 0.045 0.000 2.916 168 T HA 0.486 4.835 4.350 -0.000 0.000 0.298 168 T C -0.652 174.073 174.700 0.042 0.000 1.031 168 T CA -0.770 61.351 62.100 0.036 0.000 0.993 168 T CB 1.926 70.815 68.868 0.034 0.000 1.045 168 T HN -0.022 nan 8.240 nan 0.000 0.454 169 L N 2.876 124.121 121.223 0.037 0.000 2.325 169 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 169 L C -0.720 176.182 176.870 0.055 0.000 1.023 169 L CA -1.170 53.698 54.840 0.047 0.000 0.811 169 L CB 1.187 43.273 42.059 0.046 0.000 1.249 169 L HN 0.244 nan 8.230 nan 0.000 0.431 170 L N 2.283 123.541 121.223 0.058 0.000 2.329 170 L HA 0.773 5.113 4.340 -0.000 0.000 0.279 170 L C -0.094 176.823 176.870 0.078 0.000 1.014 170 L CA -0.188 54.690 54.840 0.063 0.000 0.814 170 L CB 1.639 43.725 42.059 0.045 0.000 1.257 170 L HN 0.759 nan 8.230 nan 0.000 0.424 171 A N 3.014 125.887 122.820 0.089 0.000 2.498 171 A HA 0.940 5.260 4.320 -0.000 0.000 0.298 171 A C -1.119 176.524 177.584 0.098 0.000 1.075 171 A CA -0.439 51.657 52.037 0.098 0.000 0.714 171 A CB 2.007 21.064 19.000 0.095 0.000 1.299 171 A HN 0.774 nan 8.150 nan 0.000 0.407 172 A N 1.202 124.081 122.820 0.098 0.000 2.402 172 A HA 0.703 5.023 4.320 -0.000 0.000 0.291 172 A C -0.453 177.137 177.584 0.009 0.000 1.051 172 A CA -0.521 51.560 52.037 0.073 0.000 0.716 172 A CB 0.888 19.957 19.000 0.116 0.000 1.223 172 A HN 0.937 nan 8.150 nan 0.000 0.425 173 R N 2.056 122.544 120.500 -0.020 0.000 2.229 173 R HA 0.574 4.914 4.340 -0.000 0.000 0.332 173 R C -1.017 175.179 176.300 -0.173 0.000 0.989 173 R CA -0.003 56.053 56.100 -0.074 0.000 0.842 173 R CB 0.680 30.976 30.300 -0.007 0.000 1.119 173 R HN 0.524 nan 8.270 nan 0.000 0.456 174 S N 3.057 118.529 115.700 -0.380 0.000 2.399 174 S HA 0.323 4.793 4.470 -0.000 0.000 0.198 174 S C 0.413 174.805 174.600 -0.348 0.000 1.294 174 S CA -0.077 57.861 58.200 -0.437 0.000 1.237 174 S CB 1.519 64.270 63.200 -0.749 0.000 1.286 174 S HN 1.006 nan 8.310 nan 0.000 0.404 175 G N 0.971 109.674 108.800 -0.163 0.000 2.284 175 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.201 175 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.201 175 G C 0.051 174.934 174.900 -0.028 0.000 0.998 175 G CA 0.106 45.164 45.100 -0.070 0.000 0.651 175 G HN 0.722 nan 8.290 nan 0.000 0.489 176 S N 1.487 117.164 115.700 -0.037 0.000 2.538 176 S HA 0.735 5.205 4.470 -0.000 0.000 0.288 176 S C -2.869 171.743 174.600 0.019 0.000 1.108 176 S CA -1.200 57.008 58.200 0.014 0.000 0.971 176 S CB 2.121 65.355 63.200 0.057 0.000 1.041 176 S HN 0.084 nan 8.310 nan 0.000 0.483 177 P HA 0.251 nan 4.420 nan 0.000 0.264 177 P C -1.161 176.176 177.300 0.061 0.000 1.183 177 P CA 0.140 63.272 63.100 0.053 0.000 0.763 177 P CB 0.245 31.980 31.700 0.059 0.000 0.807 178 L N 2.472 123.740 121.223 0.075 0.000 2.445 178 L HA 0.676 5.016 4.340 -0.000 0.000 0.262 178 L C -0.724 176.185 176.870 0.064 0.000 0.974 178 L CA -1.003 53.878 54.840 0.068 0.000 0.822 178 L CB 2.674 44.773 42.059 0.067 0.000 1.339 178 L HN 0.107 nan 8.230 nan 0.000 0.409 179 V N 4.010 123.934 119.914 0.016 0.000 2.808 179 V HA 0.539 4.659 4.120 -0.000 0.000 0.308 179 V C -0.942 175.151 176.094 -0.001 0.000 1.099 179 V CA -0.295 61.949 62.300 -0.092 0.000 0.920 179 V CB 2.365 33.998 31.823 -0.317 0.000 1.014 179 V HN 0.564 nan 8.190 nan 0.000 0.425 180 I N 5.954 126.536 120.570 0.020 0.000 2.331 180 I HA 0.535 4.705 4.170 -0.000 0.000 0.292 180 I C 0.999 177.236 176.117 0.200 0.000 0.998 180 I CA 0.053 61.415 61.300 0.103 0.000 1.267 180 I CB 1.512 39.546 38.000 0.057 0.000 1.386 180 I HN 0.751 nan 8.210 nan 0.000 0.476 181 G N 7.307 116.278 108.800 0.286 0.000 2.339 181 G HA2 0.554 4.514 3.960 -0.000 0.000 0.287 181 G HA3 0.554 4.514 3.960 -0.000 0.000 0.287 181 G C -0.487 174.470 174.900 0.094 0.000 1.163 181 G CA -0.552 44.628 45.100 0.133 0.000 0.872 181 G HN 0.471 nan 8.290 nan 0.000 0.464 182 L N 3.045 124.223 121.223 -0.075 0.000 2.257 182 L HA 0.536 4.875 4.340 -0.000 0.000 0.290 182 L C 1.072 177.949 176.870 0.012 0.000 1.044 182 L CA -0.578 54.247 54.840 -0.025 0.000 0.810 182 L CB 1.225 43.250 42.059 -0.057 0.000 1.193 182 L HN 0.609 nan 8.230 nan 0.000 0.425 183 G N 3.178 112.029 108.800 0.086 0.000 2.753 183 G HA2 0.651 4.611 3.960 -0.000 0.000 0.285 183 G HA3 0.651 4.611 3.960 -0.000 0.000 0.285 183 G C -0.543 174.382 174.900 0.041 0.000 1.344 183 G CA -0.825 44.352 45.100 0.128 0.000 1.050 183 G HN 0.431 nan 8.290 nan 0.000 0.532 184 M N 1.201 120.829 119.600 0.047 0.000 2.055 184 M HA 0.373 4.853 4.480 -0.000 0.000 0.346 184 M C 0.931 177.237 176.300 0.010 0.000 1.074 184 M CA 0.413 55.723 55.300 0.018 0.000 1.009 184 M CB 1.225 33.837 32.600 0.018 0.000 1.423 184 M HN 1.056 nan 8.290 nan 0.000 0.410 185 G N 2.451 111.244 108.800 -0.011 0.000 2.143 185 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 185 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 185 G C -0.337 174.533 174.900 -0.050 0.000 0.991 185 G CA 0.644 45.731 45.100 -0.022 0.000 0.689 185 G HN 0.767 nan 8.290 nan 0.000 0.522 186 E N -1.036 119.112 120.200 -0.088 0.000 2.390 186 E HA 0.641 4.991 4.350 -0.000 0.000 0.280 186 E C -1.310 175.084 176.600 -0.343 0.000 0.992 186 E CA -1.260 55.002 56.400 -0.229 0.000 0.790 186 E CB 1.096 30.655 29.700 -0.234 0.000 1.248 186 E HN 0.050 nan 8.360 nan 0.000 0.447 187 N N 0.748 119.116 118.700 -0.553 0.000 2.405 187 N HA 0.616 5.356 4.740 -0.000 0.000 0.285 187 N C -1.462 173.541 175.510 -0.845 0.000 1.262 187 N CA -0.404 52.355 53.050 -0.485 0.000 0.773 187 N CB 1.619 39.995 38.487 -0.185 0.000 1.490 187 N HN 0.359 nan 8.380 nan 0.000 0.486 188 F N 0.099 120.068 119.950 0.031 0.000 2.650 188 F HA 0.656 5.183 4.527 -0.000 0.000 0.320 188 F C -0.173 175.667 175.800 0.068 0.000 1.091 188 F CA -0.846 57.187 58.000 0.054 0.000 0.962 188 F CB 1.912 40.952 39.000 0.067 0.000 1.363 188 F HN 0.187 nan 8.300 nan 0.000 0.482 189 I N 0.547 121.284 120.570 0.278 0.000 2.913 189 I HA 0.864 5.034 4.170 -0.000 0.000 0.302 189 I C -1.697 174.519 176.117 0.165 0.000 1.246 189 I CA -0.520 60.890 61.300 0.183 0.000 1.010 189 I CB 1.993 40.069 38.000 0.126 0.000 1.259 189 I HN 0.811 nan 8.210 nan 0.000 0.434 190 A N 2.725 125.613 122.820 0.113 0.000 2.610 190 A HA 0.503 4.823 4.320 -0.000 0.000 0.291 190 A C 0.087 177.699 177.584 0.048 0.000 1.086 190 A CA 0.113 52.197 52.037 0.078 0.000 0.677 190 A CB 1.125 20.160 19.000 0.058 0.000 1.278 190 A HN 0.827 nan 8.150 nan 0.000 0.414 191 S N -0.346 115.377 115.700 0.037 0.000 2.522 191 S HA 0.136 4.606 4.470 -0.000 0.000 0.227 191 S C 0.261 174.869 174.600 0.013 0.000 0.986 191 S CA 1.243 59.460 58.200 0.028 0.000 0.929 191 S CB -0.086 63.122 63.200 0.014 0.000 0.769 191 S HN 0.792 nan 8.310 nan 0.000 0.529 192 D N 0.373 120.768 120.400 -0.009 0.000 2.927 192 D HA 0.071 4.711 4.640 -0.000 0.000 0.219 192 D C 0.388 176.626 176.300 -0.105 0.000 1.248 192 D CA -0.287 53.699 54.000 -0.023 0.000 0.861 192 D CB 1.684 42.491 40.800 0.011 0.000 1.677 192 D HN 0.232 nan 8.370 nan 0.000 0.511 193 Q N 2.226 121.880 119.800 -0.244 0.000 2.364 193 Q HA -0.125 4.215 4.340 -0.000 0.000 0.209 193 Q C 1.733 177.582 176.000 -0.251 0.000 0.977 193 Q CA 0.890 56.328 55.803 -0.608 0.000 0.885 193 Q CB -0.025 27.978 28.738 -1.225 0.000 0.941 193 Q HN 0.442 nan 8.270 nan 0.000 0.464 194 L N 0.873 122.042 121.223 -0.091 0.000 2.191 194 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 194 L C 2.288 179.176 176.870 0.030 0.000 1.103 194 L CA 1.662 56.502 54.840 0.000 0.000 0.769 194 L CB -0.403 41.684 42.059 0.046 0.000 0.908 194 L HN 0.339 nan 8.230 nan 0.000 0.438 195 A N -1.226 121.606 122.820 0.021 0.000 2.067 195 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 195 A C 1.981 179.581 177.584 0.026 0.000 1.156 195 A CA 1.124 53.179 52.037 0.031 0.000 0.683 195 A CB -0.425 18.591 19.000 0.027 0.000 0.808 195 A HN 0.473 nan 8.150 nan 0.000 0.455 196 L N -0.637 120.624 121.223 0.064 0.000 2.616 196 L HA 0.175 4.515 4.340 -0.000 0.000 0.229 196 L C 1.712 178.652 176.870 0.118 0.000 1.110 196 L CA -0.106 54.781 54.840 0.078 0.000 0.884 196 L CB -0.182 42.029 42.059 0.254 0.000 1.115 196 L HN 0.290 nan 8.230 nan 0.000 0.481 197 L N 0.774 122.097 121.223 0.166 0.000 2.089 197 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 197 L C -0.272 176.620 176.870 0.036 0.000 1.079 197 L CA 1.625 56.557 54.840 0.153 0.000 0.758 197 L CB -1.936 40.210 42.059 0.146 0.000 0.891 197 L HN 0.301 nan 8.230 nan 0.000 0.433 198 P HA -0.093 nan 4.420 nan 0.000 0.226 198 P C 1.389 178.630 177.300 -0.100 0.000 1.153 198 P CA 1.004 64.074 63.100 -0.050 0.000 0.777 198 P CB 0.094 31.767 31.700 -0.044 0.000 0.794 199 V N -6.947 112.863 119.914 -0.173 0.000 3.604 199 V HA 0.355 4.475 4.120 -0.000 0.000 0.277 199 V C 0.506 176.493 176.094 -0.178 0.000 1.399 199 V CA 0.400 62.566 62.300 -0.224 0.000 1.034 199 V CB 0.224 31.758 31.823 -0.482 0.000 0.824 199 V HN 0.041 nan 8.190 nan 0.000 0.439 200 T N 0.029 114.487 114.554 -0.161 0.000 2.886 200 T HA 0.477 4.827 4.350 -0.000 0.000 0.330 200 T C -0.658 173.912 174.700 -0.217 0.000 1.488 200 T CA -0.472 61.521 62.100 -0.178 0.000 1.054 200 T CB 2.002 70.743 68.868 -0.212 0.000 1.348 200 T HN 0.109 nan 8.240 nan 0.000 0.489 201 R N 1.675 122.032 120.500 -0.239 0.000 2.543 201 R HA 0.305 4.645 4.340 -0.000 0.000 0.323 201 R C 0.067 176.138 176.300 -0.381 0.000 1.002 201 R CA -0.333 55.666 56.100 -0.168 0.000 1.106 201 R CB 0.196 30.529 30.300 0.054 0.000 1.280 201 R HN 0.314 nan 8.270 nan 0.000 0.549 202 R N 0.362 120.467 120.500 -0.660 0.000 2.310 202 R HA 0.436 4.776 4.340 -0.000 0.000 0.324 202 R C -1.313 174.538 176.300 -0.747 0.000 0.955 202 R CA -0.120 55.709 56.100 -0.452 0.000 0.830 202 R CB 0.232 30.393 30.300 -0.232 0.000 1.154 202 R HN -0.199 nan 8.270 nan 0.000 0.458 203 F N 4.073 123.994 119.950 -0.048 0.000 2.563 203 F HA 0.558 5.085 4.527 -0.000 0.000 0.316 203 F C 0.045 175.713 175.800 -0.220 0.000 1.076 203 F CA -0.945 56.926 58.000 -0.216 0.000 0.921 203 F CB 1.860 40.581 39.000 -0.465 0.000 1.209 203 F HN 0.159 nan 8.300 nan 0.000 0.462 204 I N 3.106 123.634 120.570 -0.069 0.000 2.382 204 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 204 I C -1.176 174.846 176.117 -0.159 0.000 1.002 204 I CA -0.565 60.712 61.300 -0.040 0.000 1.135 204 I CB 1.201 39.206 38.000 0.007 0.000 1.288 204 I HN 0.392 nan 8.210 nan 0.000 0.448 205 F N 6.458 126.471 119.950 0.106 0.000 2.421 205 F HA 0.330 4.856 4.527 -0.000 0.000 0.358 205 F C 0.522 176.351 175.800 0.050 0.000 1.115 205 F CA -0.364 57.677 58.000 0.068 0.000 1.160 205 F CB 0.527 39.554 39.000 0.045 0.000 1.123 205 F HN 0.189 nan 8.300 nan 0.000 0.508 206 L N 4.028 125.348 121.223 0.160 0.000 2.456 206 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 206 L C 0.345 177.283 176.870 0.113 0.000 1.189 206 L CA -0.119 54.787 54.840 0.111 0.000 0.846 206 L CB 0.394 42.501 42.059 0.079 0.000 1.111 206 L HN 0.588 nan 8.230 nan 0.000 0.475 207 E N 1.500 121.747 120.200 0.079 0.000 2.222 207 E HA 0.238 4.588 4.350 -0.000 0.000 0.272 207 E C -0.801 175.820 176.600 0.033 0.000 0.982 207 E CA -1.014 55.420 56.400 0.056 0.000 0.842 207 E CB 1.228 30.957 29.700 0.048 0.000 1.144 207 E HN 0.365 nan 8.360 nan 0.000 0.397 208 E N 0.150 120.360 120.200 0.016 0.000 2.608 208 E HA 0.066 4.416 4.350 -0.000 0.000 0.259 208 E C 0.816 177.417 176.600 0.001 0.000 0.951 208 E CA 1.762 58.159 56.400 -0.006 0.000 0.945 208 E CB 0.248 29.942 29.700 -0.011 0.000 0.916 208 E HN 0.783 nan 8.360 nan 0.000 0.477 209 G N 3.252 112.045 108.800 -0.011 0.000 2.213 209 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.226 209 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.226 209 G C -0.183 174.738 174.900 0.035 0.000 0.992 209 G CA -0.055 45.051 45.100 0.010 0.000 0.632 209 G HN 0.553 nan 8.290 nan 0.000 0.511 210 D N 0.745 121.168 120.400 0.038 0.000 2.389 210 D HA 0.533 5.173 4.640 -0.000 0.000 0.247 210 D C 0.667 177.018 176.300 0.084 0.000 1.128 210 D CA 0.385 54.426 54.000 0.068 0.000 0.884 210 D CB 0.971 41.808 40.800 0.062 0.000 1.194 210 D HN 0.375 nan 8.370 nan 0.000 0.441 211 I N 1.400 122.052 120.570 0.137 0.000 2.406 211 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 211 I C -0.187 176.072 176.117 0.237 0.000 0.999 211 I CA -0.903 60.489 61.300 0.153 0.000 1.124 211 I CB 1.831 39.908 38.000 0.128 0.000 1.289 211 I HN 0.261 nan 8.210 nan 0.000 0.441 212 A N 5.508 128.437 122.820 0.181 0.000 2.303 212 A HA 0.524 4.844 4.320 -0.000 0.000 0.320 212 A C -0.525 177.170 177.584 0.186 0.000 1.192 212 A CA -0.504 51.647 52.037 0.191 0.000 0.821 212 A CB 1.059 20.128 19.000 0.115 0.000 1.188 212 A HN 0.772 nan 8.150 nan 0.000 0.492 213 E N 3.152 123.505 120.200 0.255 0.000 2.113 213 E HA 0.566 4.915 4.350 -0.000 0.000 0.273 213 E C -1.406 175.269 176.600 0.124 0.000 0.924 213 E CA -0.321 56.188 56.400 0.182 0.000 0.764 213 E CB 0.636 30.477 29.700 0.236 0.000 1.104 213 E HN 0.602 nan 8.360 nan 0.000 0.406 214 I N 4.364 124.978 120.570 0.073 0.000 2.436 214 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 214 I C 0.298 176.424 176.117 0.014 0.000 1.010 214 I CA -0.588 60.733 61.300 0.035 0.000 1.098 214 I CB 1.963 39.977 38.000 0.023 0.000 1.266 214 I HN 0.568 nan 8.210 nan 0.000 0.434 215 T N 1.509 116.062 114.554 -0.002 0.000 2.841 215 T HA 0.460 4.809 4.350 -0.000 0.000 0.276 215 T C 1.027 175.697 174.700 -0.050 0.000 1.003 215 T CA -0.734 61.356 62.100 -0.015 0.000 0.995 215 T CB 1.686 70.554 68.868 -0.001 0.000 1.260 215 T HN 0.506 nan 8.240 nan 0.000 0.581 216 R N -0.254 120.214 120.500 -0.054 0.000 2.120 216 R HA 0.055 4.395 4.340 -0.000 0.000 0.234 216 R C 2.212 178.473 176.300 -0.064 0.000 1.123 216 R CA 1.273 57.325 56.100 -0.079 0.000 0.975 216 R CB -0.080 30.188 30.300 -0.053 0.000 0.866 216 R HN 0.536 nan 8.270 nan 0.000 0.446 217 R N -0.439 120.039 120.500 -0.037 0.000 2.404 217 R HA 0.130 4.470 4.340 -0.000 0.000 0.237 217 R C 0.133 176.421 176.300 -0.020 0.000 0.907 217 R CA 0.231 56.315 56.100 -0.027 0.000 1.063 217 R CB 1.122 31.413 30.300 -0.016 0.000 1.134 217 R HN 0.068 nan 8.270 nan 0.000 0.529 218 S N -0.803 114.886 115.700 -0.018 0.000 2.556 218 S HA 0.535 5.005 4.470 -0.000 0.000 0.271 218 S C -0.791 173.807 174.600 -0.003 0.000 1.135 218 S CA -0.762 57.432 58.200 -0.009 0.000 0.858 218 S CB 2.690 65.891 63.200 0.002 0.000 1.114 218 S HN -0.143 nan 8.310 nan 0.000 0.468 219 V N 2.291 122.202 119.914 -0.006 0.000 2.447 219 V HA 0.504 4.624 4.120 -0.000 0.000 0.292 219 V C -1.220 174.861 176.094 -0.021 0.000 1.021 219 V CA -0.646 61.654 62.300 0.001 0.000 0.850 219 V CB 1.266 33.085 31.823 -0.006 0.000 1.005 219 V HN 0.947 nan 8.190 nan 0.000 0.426 220 N N 4.635 123.338 118.700 0.006 0.000 2.407 220 N HA 0.722 5.462 4.740 -0.000 0.000 0.277 220 N C -1.045 174.372 175.510 -0.156 0.000 0.995 220 N CA -0.370 52.599 53.050 -0.135 0.000 0.903 220 N CB 1.987 40.442 38.487 -0.053 0.000 1.218 220 N HN 0.538 nan 8.380 nan 0.000 0.487 221 I N 2.549 122.926 120.570 -0.321 0.000 2.377 221 I HA 0.470 4.640 4.170 -0.000 0.000 0.293 221 I C -0.822 175.060 176.117 -0.392 0.000 0.987 221 I CA -0.492 60.710 61.300 -0.164 0.000 1.185 221 I CB 0.695 38.662 38.000 -0.055 0.000 1.341 221 I HN 0.305 nan 8.210 nan 0.000 0.455 222 F N 2.951 122.913 119.950 0.020 0.000 2.561 222 F HA 0.455 4.982 4.527 -0.000 0.000 0.321 222 F C 0.190 176.002 175.800 0.020 0.000 1.065 222 F CA -1.074 56.937 58.000 0.018 0.000 0.934 222 F CB 1.088 40.098 39.000 0.017 0.000 1.215 222 F HN 0.477 nan 8.300 nan 0.000 0.471 223 D N 0.376 120.893 120.400 0.194 0.000 2.451 223 D HA 0.246 4.886 4.640 -0.000 0.000 0.259 223 D C 0.749 177.118 176.300 0.114 0.000 1.201 223 D CA -0.539 53.532 54.000 0.118 0.000 1.028 223 D CB 0.591 41.436 40.800 0.076 0.000 1.095 223 D HN 0.504 nan 8.370 nan 0.000 0.539 224 K N -0.934 119.512 120.400 0.077 0.000 2.037 224 K HA -0.297 4.023 4.320 -0.000 0.000 0.229 224 K C 1.556 178.193 176.600 0.063 0.000 1.040 224 K CA 2.630 58.954 56.287 0.062 0.000 0.981 224 K CB -1.188 31.341 32.500 0.049 0.000 0.749 224 K HN 0.676 nan 8.250 nan 0.000 0.451 225 T N -1.700 112.892 114.554 0.064 0.000 3.449 225 T HA 0.137 4.487 4.350 -0.000 0.000 0.387 225 T C 1.310 176.058 174.700 0.081 0.000 1.222 225 T CA 0.282 62.417 62.100 0.059 0.000 1.008 225 T CB 0.534 69.434 68.868 0.053 0.000 1.688 225 T HN 0.348 nan 8.240 nan 0.000 0.542 226 G N -0.143 108.706 108.800 0.081 0.000 3.434 226 G HA2 0.559 4.519 3.960 -0.000 0.000 0.258 226 G HA3 0.559 4.519 3.960 -0.000 0.000 0.258 226 G C 0.207 175.277 174.900 0.283 0.000 1.128 226 G CA 0.261 45.426 45.100 0.109 0.000 0.792 226 G HN 0.917 nan 8.290 nan 0.000 0.539 227 A N 0.333 123.285 122.820 0.221 0.000 2.331 227 A HA 0.613 4.933 4.320 -0.000 0.000 0.283 227 A C 0.126 177.794 177.584 0.140 0.000 1.142 227 A CA -0.504 51.637 52.037 0.174 0.000 0.812 227 A CB 0.745 19.799 19.000 0.090 0.000 1.074 227 A HN 0.335 nan 8.150 nan 0.000 0.497 228 E N 1.069 121.276 120.200 0.012 0.000 2.392 228 E HA 0.355 4.705 4.350 -0.000 0.000 0.264 228 E C -0.208 176.315 176.600 -0.127 0.000 1.024 228 E CA -0.058 56.199 56.400 -0.238 0.000 0.903 228 E CB 0.529 30.054 29.700 -0.291 0.000 0.963 228 E HN 0.618 nan 8.360 nan 0.000 0.432 229 V N 0.990 120.813 119.914 -0.151 0.000 3.001 229 V HA 0.553 4.673 4.120 -0.000 0.000 0.314 229 V C -0.680 175.364 176.094 -0.084 0.000 1.099 229 V CA -1.188 61.067 62.300 -0.075 0.000 0.989 229 V CB 1.923 33.728 31.823 -0.031 0.000 1.040 229 V HN 0.511 nan 8.190 nan 0.000 0.434 230 K N 2.425 122.798 120.400 -0.046 0.000 2.211 230 K HA 0.594 4.914 4.320 -0.000 0.000 0.275 230 K C -0.975 175.618 176.600 -0.011 0.000 1.024 230 K CA -0.617 55.649 56.287 -0.035 0.000 0.887 230 K CB 1.559 34.046 32.500 -0.022 0.000 1.084 230 K HN 0.550 nan 8.250 nan 0.000 0.463 231 R N 2.713 123.210 120.500 -0.005 0.000 2.451 231 R HA 0.193 4.533 4.340 -0.000 0.000 0.307 231 R C -0.213 176.108 176.300 0.035 0.000 0.965 231 R CA -0.617 55.498 56.100 0.025 0.000 0.865 231 R CB 1.595 31.914 30.300 0.032 0.000 1.174 231 R HN 0.605 nan 8.270 nan 0.000 0.455 232 Q N 2.237 122.068 119.800 0.051 0.000 2.332 232 Q HA 0.041 4.381 4.340 -0.000 0.000 0.263 232 Q C 0.079 176.128 176.000 0.082 0.000 0.979 232 Q CA 0.274 56.111 55.803 0.056 0.000 0.885 232 Q CB 1.050 29.825 28.738 0.060 0.000 1.218 232 Q HN 0.481 nan 8.270 nan 0.000 0.405 233 D N 2.191 122.627 120.400 0.060 0.000 2.264 233 D HA 0.401 5.041 4.640 -0.000 0.000 0.249 233 D C -0.189 176.166 176.300 0.091 0.000 1.070 233 D CA -0.392 53.647 54.000 0.064 0.000 0.912 233 D CB 1.036 41.847 40.800 0.017 0.000 1.193 233 D HN 0.288 nan 8.370 nan 0.000 0.427 234 I N -2.724 117.930 120.570 0.139 0.000 3.264 234 I HA 0.544 4.714 4.170 -0.000 0.000 0.315 234 I C -0.625 175.586 176.117 0.156 0.000 1.154 234 I CA -1.681 59.711 61.300 0.153 0.000 0.962 234 I CB 1.151 39.273 38.000 0.204 0.000 1.265 234 I HN 0.258 nan 8.210 nan 0.000 0.463 235 E N 1.056 121.340 120.200 0.141 0.000 2.301 235 E HA 0.488 4.838 4.350 -0.000 0.000 0.275 235 E C -0.378 176.356 176.600 0.223 0.000 1.030 235 E CA -0.172 56.307 56.400 0.131 0.000 0.852 235 E CB 1.186 30.941 29.700 0.091 0.000 1.060 235 E HN 0.731 nan 8.360 nan 0.000 0.401 236 S N 3.016 118.888 115.700 0.287 0.000 2.568 236 S HA 0.065 4.535 4.470 -0.000 0.000 0.282 236 S C 0.577 175.294 174.600 0.195 0.000 1.338 236 S CA -0.206 58.209 58.200 0.358 0.000 1.045 236 S CB 0.246 63.709 63.200 0.439 0.000 0.873 236 S HN 0.630 nan 8.310 nan 0.000 0.516 237 N N 2.808 121.598 118.700 0.150 0.000 2.205 237 N HA 0.219 4.959 4.740 -0.000 0.000 0.201 237 N C 0.104 175.632 175.510 0.030 0.000 1.128 237 N CA -0.063 53.024 53.050 0.061 0.000 0.867 237 N CB -0.032 38.479 38.487 0.039 0.000 0.996 237 N HN 0.575 nan 8.380 nan 0.000 0.503 238 L N 1.476 122.738 121.223 0.064 0.000 2.483 238 L HA 0.007 4.347 4.340 -0.000 0.000 0.277 238 L C 0.975 177.855 176.870 0.016 0.000 1.248 238 L CA 0.347 55.213 54.840 0.042 0.000 0.825 238 L CB 0.320 42.421 42.059 0.071 0.000 1.096 238 L HN 0.047 nan 8.230 nan 0.000 0.512 239 Q N 0.009 119.814 119.800 0.008 0.000 2.373 239 Q HA 0.032 4.372 4.340 -0.000 0.000 0.255 239 Q C 0.560 176.621 176.000 0.103 0.000 0.980 239 Q CA 0.166 55.965 55.803 -0.006 0.000 0.882 239 Q CB 0.706 29.446 28.738 0.003 0.000 1.249 239 Q HN 0.430 nan 8.270 nan 0.000 0.438 240 Y N 0.705 121.028 120.300 0.040 0.000 2.256 240 Y HA -0.314 4.235 4.550 -0.000 0.000 0.288 240 Y C 1.889 177.811 175.900 0.038 0.000 1.155 240 Y CA 0.609 58.734 58.100 0.040 0.000 1.203 240 Y CB 0.219 38.698 38.460 0.033 0.000 0.980 240 Y HN 0.776 nan 8.280 nan 0.000 0.530 241 D N -0.339 120.177 120.400 0.194 0.000 2.144 241 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 241 D C 1.810 178.171 176.300 0.102 0.000 0.978 241 D CA 1.193 55.266 54.000 0.122 0.000 0.833 241 D CB -0.219 40.639 40.800 0.096 0.000 0.961 241 D HN 0.312 nan 8.370 nan 0.000 0.470 242 A N -0.473 122.400 122.820 0.087 0.000 5.153 242 A HA -0.275 4.045 4.320 -0.000 0.000 0.367 242 A C 1.849 179.465 177.584 0.055 0.000 1.537 242 A CA 2.583 54.656 52.037 0.060 0.000 0.694 242 A CB -1.872 17.173 19.000 0.075 0.000 1.545 242 A HN 0.612 nan 8.150 nan 0.000 0.422 243 G N -0.272 108.568 108.800 0.067 0.000 3.702 243 G HA2 0.426 4.386 3.960 -0.000 0.000 0.288 243 G HA3 0.426 4.386 3.960 -0.000 0.000 0.288 243 G C -0.208 174.871 174.900 0.299 0.000 1.193 243 G CA 1.188 46.348 45.100 0.100 0.000 0.952 243 G HN 0.843 nan 8.290 nan 0.000 0.544 244 D N -0.204 120.326 120.400 0.217 0.000 2.175 244 D HA 0.287 4.927 4.640 -0.000 0.000 0.248 244 D C 1.227 177.567 176.300 0.067 0.000 1.047 244 D CA -0.487 53.594 54.000 0.135 0.000 0.883 244 D CB 1.206 42.053 40.800 0.079 0.000 1.180 244 D HN -0.020 nan 8.370 nan 0.000 0.438 245 K N 2.030 122.349 120.400 -0.135 0.000 2.379 245 K HA 0.220 4.540 4.320 -0.000 0.000 0.194 245 K C 1.301 177.890 176.600 -0.018 0.000 1.031 245 K CA 0.317 56.440 56.287 -0.272 0.000 1.037 245 K CB 0.138 32.358 32.500 -0.468 0.000 0.824 245 K HN 0.696 nan 8.250 nan 0.000 0.516 246 G N 2.575 111.375 108.800 -0.000 0.000 2.591 246 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.298 246 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.298 246 G C 0.853 175.728 174.900 -0.043 0.000 1.195 246 G CA 0.494 45.610 45.100 0.027 0.000 0.989 246 G HN 0.352 nan 8.290 nan 0.000 0.551 247 I N -1.505 118.998 120.570 -0.112 0.000 3.111 247 I HA 0.383 4.553 4.170 -0.000 0.000 0.272 247 I C 1.089 176.982 176.117 -0.373 0.000 1.268 247 I CA -0.015 61.120 61.300 -0.275 0.000 1.467 247 I CB -0.252 37.515 38.000 -0.387 0.000 1.087 247 I HN 0.295 nan 8.210 nan 0.000 0.467 248 Y N 1.304 121.509 120.300 -0.159 0.000 2.326 248 Y HA 0.292 4.842 4.550 -0.000 0.000 0.333 248 Y C 1.761 177.530 175.900 -0.218 0.000 1.240 248 Y CA -0.279 57.714 58.100 -0.179 0.000 1.365 248 Y CB 0.672 39.028 38.460 -0.173 0.000 1.289 248 Y HN -0.085 nan 8.280 nan 0.000 0.548 249 R N 0.209 120.673 120.500 -0.061 0.000 2.100 249 R HA 0.025 4.365 4.340 -0.000 0.000 0.220 249 R C -0.337 175.663 176.300 -0.500 0.000 1.091 249 R CA 0.800 56.741 56.100 -0.266 0.000 0.986 249 R CB 0.221 30.397 30.300 -0.206 0.000 0.888 249 R HN 0.664 nan 8.270 nan 0.000 0.444 250 H N -1.987 117.089 119.070 0.010 0.000 2.747 250 H HA 0.092 4.648 4.556 -0.000 0.000 0.371 250 H C -0.161 175.092 175.328 -0.125 0.000 1.161 250 H CA -0.710 55.322 56.048 -0.026 0.000 1.167 250 H CB 1.214 31.070 29.762 0.157 0.000 1.732 250 H HN -0.016 nan 8.280 nan 0.000 0.544 251 Y N 0.396 120.744 120.300 0.081 0.000 2.200 251 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 251 Y C 2.884 178.731 175.900 -0.089 0.000 1.137 251 Y CA 1.145 59.220 58.100 -0.041 0.000 1.163 251 Y CB -0.007 38.410 38.460 -0.071 0.000 0.988 251 Y HN 0.555 nan 8.280 nan 0.000 0.518 252 M N 0.026 119.697 119.600 0.119 0.000 2.108 252 M HA -0.347 4.133 4.480 -0.000 0.000 0.261 252 M C 2.396 178.591 176.300 -0.175 0.000 1.066 252 M CA 1.953 57.240 55.300 -0.022 0.000 1.107 252 M CB -0.252 32.348 32.600 0.001 0.000 1.356 252 M HN 0.390 nan 8.290 nan 0.000 0.406 253 Q N 0.360 120.012 119.800 -0.247 0.000 2.084 253 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 253 Q C 1.998 177.834 176.000 -0.273 0.000 0.978 253 Q CA 2.163 57.725 55.803 -0.402 0.000 0.844 253 Q CB -0.174 28.383 28.738 -0.301 0.000 0.898 253 Q HN 0.561 nan 8.270 nan 0.000 0.426 254 K N 0.248 120.357 120.400 -0.485 0.000 2.026 254 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 254 K C 1.727 178.025 176.600 -0.504 0.000 1.048 254 K CA 1.804 57.450 56.287 -1.069 0.000 0.929 254 K CB -0.001 32.051 32.500 -0.746 0.000 0.713 254 K HN 0.253 nan 8.250 nan 0.000 0.439 255 E N 0.457 120.497 120.200 -0.265 0.000 2.150 255 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 255 E C 2.035 178.544 176.600 -0.152 0.000 0.985 255 E CA 1.228 57.530 56.400 -0.163 0.000 0.814 255 E CB -0.077 29.564 29.700 -0.100 0.000 0.752 255 E HN 0.358 nan 8.360 nan 0.000 0.466 256 I N 0.051 120.515 120.570 -0.176 0.000 2.179 256 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 256 I C 1.790 177.753 176.117 -0.256 0.000 1.088 256 I CA 1.279 62.450 61.300 -0.215 0.000 1.357 256 I CB -0.190 37.642 38.000 -0.281 0.000 1.051 256 I HN 0.116 nan 8.210 nan 0.000 0.409 257 Y N 0.675 120.855 120.300 -0.200 0.000 2.509 257 Y HA -0.130 4.420 4.550 -0.000 0.000 0.293 257 Y C 2.286 178.129 175.900 -0.094 0.000 1.133 257 Y CA 0.873 58.907 58.100 -0.111 0.000 1.283 257 Y CB -0.196 38.262 38.460 -0.003 0.000 1.001 257 Y HN 0.203 nan 8.280 nan 0.000 0.555 258 E N -0.334 119.838 120.200 -0.046 0.000 2.435 258 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 258 E C 1.733 178.311 176.600 -0.038 0.000 1.029 258 E CA 0.174 56.550 56.400 -0.041 0.000 0.865 258 E CB 0.013 29.666 29.700 -0.080 0.000 0.833 258 E HN 0.619 nan 8.360 nan 0.000 0.510 259 Q N 0.290 120.053 119.800 -0.061 0.000 2.112 259 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 259 Q C -0.742 175.243 176.000 -0.024 0.000 0.987 259 Q CA 1.569 57.344 55.803 -0.048 0.000 0.858 259 Q CB -0.830 27.869 28.738 -0.065 0.000 0.905 259 Q HN 0.272 nan 8.270 nan 0.000 0.420 260 P HA -0.178 nan 4.420 nan 0.000 0.215 260 P C 0.727 178.029 177.300 0.002 0.000 1.153 260 P CA 1.245 64.346 63.100 0.002 0.000 0.853 260 P CB -0.159 31.549 31.700 0.013 0.000 0.788 261 N N -0.418 118.284 118.700 0.003 0.000 2.250 261 N HA -0.097 4.643 4.740 -0.000 0.000 0.181 261 N C 1.614 177.120 175.510 -0.007 0.000 1.017 261 N CA 1.135 54.186 53.050 0.002 0.000 0.866 261 N CB -0.186 38.306 38.487 0.008 0.000 0.985 261 N HN -0.054 nan 8.380 nan 0.000 0.429 262 A N 1.596 124.408 122.820 -0.013 0.000 1.877 262 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 262 A C 2.292 179.866 177.584 -0.016 0.000 1.186 262 A CA 0.857 52.884 52.037 -0.018 0.000 0.620 262 A CB -0.647 18.340 19.000 -0.023 0.000 0.822 262 A HN 0.322 nan 8.150 nan 0.000 0.443 263 I N -0.355 120.207 120.570 -0.014 0.000 2.163 263 I HA -0.306 3.863 4.170 -0.000 0.000 0.243 263 I C 2.463 178.570 176.117 -0.016 0.000 1.085 263 I CA 1.645 62.937 61.300 -0.014 0.000 1.347 263 I CB -0.314 37.681 38.000 -0.007 0.000 1.044 263 I HN 0.302 nan 8.210 nan 0.000 0.408 264 K N 0.698 121.091 120.400 -0.012 0.000 2.074 264 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 264 K C 1.774 178.364 176.600 -0.016 0.000 1.048 264 K CA 2.046 58.325 56.287 -0.013 0.000 0.926 264 K CB -0.453 32.042 32.500 -0.008 0.000 0.713 264 K HN 0.479 nan 8.250 nan 0.000 0.444 265 N N -0.339 118.351 118.700 -0.016 0.000 2.244 265 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 265 N C 1.539 177.037 175.510 -0.020 0.000 1.016 265 N CA 1.204 54.243 53.050 -0.018 0.000 0.866 265 N CB 0.039 38.515 38.487 -0.018 0.000 0.980 265 N HN 0.116 nan 8.380 nan 0.000 0.430 266 T N 1.137 115.678 114.554 -0.022 0.000 2.788 266 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 266 T C 1.757 176.441 174.700 -0.027 0.000 1.044 266 T CA 0.806 62.891 62.100 -0.024 0.000 1.139 266 T CB -0.121 68.731 68.868 -0.027 0.000 0.867 266 T HN 0.196 nan 8.240 nan 0.000 0.454 267 L N 0.761 121.968 121.223 -0.028 0.000 2.492 267 L HA 0.070 4.409 4.340 -0.000 0.000 0.223 267 L C 0.881 177.735 176.870 -0.027 0.000 1.132 267 L CA 0.265 55.087 54.840 -0.031 0.000 0.850 267 L CB -0.628 41.411 42.059 -0.033 0.000 0.966 267 L HN 0.133 nan 8.230 nan 0.000 0.454 268 T N 0.455 114.996 114.554 -0.023 0.000 2.888 268 T HA 0.261 4.611 4.350 -0.000 0.000 0.301 268 T C 1.202 175.892 174.700 -0.018 0.000 1.001 268 T CA 0.792 62.880 62.100 -0.020 0.000 1.147 268 T CB 0.995 69.852 68.868 -0.018 0.000 0.931 268 T HN 0.545 nan 8.240 nan 0.000 0.541 269 G N 3.386 112.176 108.800 -0.016 0.000 2.189 269 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 269 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 269 G C 0.879 175.773 174.900 -0.010 0.000 0.975 269 G CA 0.434 45.527 45.100 -0.011 0.000 0.644 269 G HN 0.690 nan 8.290 nan 0.000 0.537 270 R N -0.914 119.576 120.500 -0.017 0.000 2.437 270 R HA 0.382 4.722 4.340 -0.000 0.000 0.257 270 R C 0.141 176.427 176.300 -0.022 0.000 0.927 270 R CA -0.111 55.978 56.100 -0.018 0.000 1.078 270 R CB 0.630 30.915 30.300 -0.024 0.000 1.161 270 R HN 0.329 nan 8.270 nan 0.000 0.529 271 I N 0.091 120.647 120.570 -0.023 0.000 2.465 271 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 271 I C -0.551 175.557 176.117 -0.014 0.000 1.014 271 I CA -0.554 60.729 61.300 -0.028 0.000 1.093 271 I CB 1.861 39.833 38.000 -0.047 0.000 1.267 271 I HN -0.188 nan 8.210 nan 0.000 0.431 272 S N 4.850 120.559 115.700 0.015 0.000 2.649 272 S HA 0.483 4.952 4.470 -0.000 0.000 0.274 272 S C -0.731 173.963 174.600 0.157 0.000 1.176 272 S CA -0.327 57.916 58.200 0.071 0.000 0.988 272 S CB 0.124 63.428 63.200 0.172 0.000 1.071 272 S HN 0.787 nan 8.310 nan 0.000 0.478 273 H N 2.461 121.503 119.070 -0.046 0.000 2.756 273 H HA -0.162 4.394 4.556 -0.000 0.000 0.315 273 H C 1.195 176.481 175.328 -0.071 0.000 1.210 273 H CA 1.607 57.624 56.048 -0.052 0.000 1.150 273 H CB -1.381 28.361 29.762 -0.034 0.000 1.463 273 H HN 1.584 nan 8.280 nan 0.000 0.427 274 G N -0.865 107.914 108.800 -0.035 0.000 2.162 274 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 274 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 274 G C 0.117 175.022 174.900 0.008 0.000 0.976 274 G CA 0.504 45.542 45.100 -0.102 0.000 0.655 274 G HN 0.672 nan 8.290 nan 0.000 0.533 275 Q N -1.214 118.600 119.800 0.024 0.000 2.456 275 Q HA 0.643 4.983 4.340 -0.000 0.000 0.283 275 Q C -0.555 175.443 176.000 -0.003 0.000 1.084 275 Q CA -0.931 54.888 55.803 0.027 0.000 0.801 275 Q CB 3.001 31.766 28.738 0.045 0.000 1.434 275 Q HN 0.131 nan 8.270 nan 0.000 0.419 276 V N 1.267 121.170 119.914 -0.018 0.000 2.785 276 V HA 0.195 4.315 4.120 -0.000 0.000 0.300 276 V C -0.758 175.328 176.094 -0.013 0.000 1.062 276 V CA 0.179 62.462 62.300 -0.028 0.000 1.029 276 V CB 1.599 33.395 31.823 -0.045 0.000 1.024 276 V HN 0.704 nan 8.190 nan 0.000 0.477 277 D N 3.949 124.342 120.400 -0.012 0.000 2.402 277 D HA 0.318 4.958 4.640 -0.000 0.000 0.252 277 D C -0.332 175.963 176.300 -0.008 0.000 1.294 277 D CA -0.246 53.751 54.000 -0.005 0.000 0.948 277 D CB 0.998 41.801 40.800 0.005 0.000 1.202 277 D HN 0.355 nan 8.370 nan 0.000 0.561 278 L N 2.968 124.187 121.223 -0.007 0.000 3.141 278 L HA 0.137 4.477 4.340 -0.000 0.000 0.267 278 L C 1.709 178.577 176.870 -0.004 0.000 1.281 278 L CA -0.142 54.695 54.840 -0.005 0.000 1.037 278 L CB 0.302 42.360 42.059 -0.003 0.000 1.407 278 L HN 0.319 nan 8.230 nan 0.000 0.566 279 S N -1.127 114.570 115.700 -0.004 0.000 2.474 279 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 279 S C 1.604 176.202 174.600 -0.004 0.000 0.997 279 S CA 0.981 59.179 58.200 -0.004 0.000 0.949 279 S CB -0.249 62.949 63.200 -0.003 0.000 0.766 279 S HN 0.703 nan 8.310 nan 0.000 0.517 280 E N 1.786 121.983 120.200 -0.005 0.000 2.273 280 E HA -0.169 4.180 4.350 -0.000 0.000 0.198 280 E C 1.804 178.400 176.600 -0.006 0.000 1.002 280 E CA 1.153 57.549 56.400 -0.006 0.000 0.828 280 E CB -0.758 28.938 29.700 -0.008 0.000 0.747 280 E HN 0.568 nan 8.360 nan 0.000 0.491 281 L N 0.556 121.777 121.223 -0.004 0.000 2.291 281 L HA 0.067 4.407 4.340 -0.000 0.000 0.214 281 L C 1.348 178.216 176.870 -0.003 0.000 1.120 281 L CA 0.725 55.563 54.840 -0.004 0.000 0.799 281 L CB -0.709 41.349 42.059 -0.001 0.000 0.925 281 L HN 0.447 nan 8.230 nan 0.000 0.446 282 G N -0.297 108.501 108.800 -0.003 0.000 2.592 282 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.684 282 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.684 282 G C -2.522 172.377 174.900 -0.002 0.000 1.291 282 G CA -0.367 44.731 45.100 -0.003 0.000 0.891 282 G HN -0.028 nan 8.290 nan 0.000 0.544 283 P HA 0.253 nan 4.420 nan 0.000 0.258 283 P C 0.567 177.867 177.300 -0.000 0.000 1.416 283 P CA 0.190 63.289 63.100 -0.001 0.000 0.927 283 P CB 0.139 31.838 31.700 -0.002 0.000 1.444 284 N N -0.677 118.023 118.700 0.000 0.000 2.166 284 N HA 0.136 4.876 4.740 -0.000 0.000 0.213 284 N C 1.386 176.897 175.510 0.002 0.000 1.222 284 N CA 0.266 53.317 53.050 0.001 0.000 0.900 284 N CB 0.422 38.910 38.487 0.002 0.000 1.055 284 N HN 0.032 nan 8.380 nan 0.000 0.515 285 A N 1.502 124.323 122.820 0.002 0.000 1.898 285 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 285 A C 1.713 179.299 177.584 0.004 0.000 1.181 285 A CA 1.404 53.442 52.037 0.003 0.000 0.620 285 A CB -0.260 18.741 19.000 0.002 0.000 0.819 285 A HN 0.006 nan 8.150 nan 0.000 0.442 286 D N -0.191 120.210 120.400 0.003 0.000 2.116 286 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 286 D C 2.285 178.587 176.300 0.004 0.000 0.998 286 D CA 2.061 56.063 54.000 0.003 0.000 0.836 286 D CB -0.732 40.068 40.800 0.001 0.000 0.951 286 D HN 0.617 nan 8.370 nan 0.000 0.449 287 E N 1.265 121.467 120.200 0.003 0.000 2.068 287 E HA -0.237 4.112 4.350 -0.000 0.000 0.207 287 E C 2.149 178.753 176.600 0.005 0.000 1.032 287 E CA 1.557 57.959 56.400 0.004 0.000 0.839 287 E CB -1.158 28.544 29.700 0.003 0.000 0.758 287 E HN 0.373 nan 8.360 nan 0.000 0.457 288 L N -0.442 120.785 121.223 0.006 0.000 1.955 288 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 288 L C 2.927 179.801 176.870 0.008 0.000 1.072 288 L CA 1.898 56.743 54.840 0.009 0.000 0.755 288 L CB -0.237 41.827 42.059 0.009 0.000 0.888 288 L HN 0.452 nan 8.230 nan 0.000 0.432 289 L N -0.850 120.377 121.223 0.007 0.000 2.187 289 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 289 L C 2.747 179.621 176.870 0.007 0.000 1.100 289 L CA 1.294 56.137 54.840 0.006 0.000 0.765 289 L CB -0.564 41.502 42.059 0.010 0.000 0.904 289 L HN 0.376 nan 8.230 nan 0.000 0.437 290 S N -0.092 115.612 115.700 0.007 0.000 2.423 290 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 290 S C 1.874 176.478 174.600 0.007 0.000 1.014 290 S CA 1.182 59.386 58.200 0.007 0.000 0.965 290 S CB 0.031 63.234 63.200 0.005 0.000 0.785 290 S HN 0.391 nan 8.310 nan 0.000 0.495 291 K N 0.638 121.042 120.400 0.007 0.000 2.365 291 K HA 0.160 4.480 4.320 -0.000 0.000 0.197 291 K C 0.107 176.712 176.600 0.008 0.000 1.042 291 K CA 0.005 56.296 56.287 0.007 0.000 0.987 291 K CB 0.177 32.681 32.500 0.007 0.000 0.779 291 K HN 0.189 nan 8.250 nan 0.000 0.484 292 V N 2.915 122.834 119.914 0.007 0.000 2.509 292 V HA -0.084 4.036 4.120 -0.000 0.000 0.297 292 V C 0.975 177.073 176.094 0.008 0.000 1.014 292 V CA 0.969 63.271 62.300 0.004 0.000 1.127 292 V CB 0.517 32.330 31.823 -0.017 0.000 0.925 292 V HN 0.289 nan 8.190 nan 0.000 0.480 293 E N 2.193 122.408 120.200 0.024 0.000 2.447 293 E HA 0.142 4.492 4.350 -0.000 0.000 0.204 293 E C 0.388 177.036 176.600 0.080 0.000 0.977 293 E CA 0.050 56.474 56.400 0.039 0.000 0.950 293 E CB 0.662 30.383 29.700 0.034 0.000 0.975 293 E HN 0.798 nan 8.360 nan 0.000 0.496 294 H N -0.129 118.913 119.070 -0.047 0.000 3.038 294 H HA 0.393 4.949 4.556 -0.000 0.000 0.362 294 H C -1.607 173.676 175.328 -0.074 0.000 1.167 294 H CA -0.587 55.428 56.048 -0.054 0.000 1.197 294 H CB 1.263 30.997 29.762 -0.047 0.000 1.840 294 H HN -0.092 nan 8.280 nan 0.000 0.540 295 I N 3.570 123.674 120.570 -0.777 0.000 2.406 295 I HA 0.100 4.270 4.170 -0.000 0.000 0.290 295 I C -0.462 175.282 176.117 -0.623 0.000 0.999 295 I CA -0.693 60.260 61.300 -0.579 0.000 1.124 295 I CB 1.962 39.572 38.000 -0.650 0.000 1.289 295 I HN 0.405 nan 8.210 nan 0.000 0.441 296 Q N 7.107 126.800 119.800 -0.179 0.000 2.347 296 Q HA 0.563 4.903 4.340 -0.000 0.000 0.262 296 Q C -1.317 174.604 176.000 -0.131 0.000 0.980 296 Q CA -0.143 55.651 55.803 -0.017 0.000 0.867 296 Q CB 1.196 30.099 28.738 0.274 0.000 1.242 296 Q HN 0.544 nan 8.270 nan 0.000 0.453 297 I N 4.876 125.371 120.570 -0.125 0.000 2.392 297 I HA 0.409 4.579 4.170 -0.000 0.000 0.295 297 I C -0.537 175.512 176.117 -0.115 0.000 0.985 297 I CA -0.874 60.357 61.300 -0.115 0.000 1.221 297 I CB 1.188 39.150 38.000 -0.063 0.000 1.366 297 I HN 0.476 nan 8.210 nan 0.000 0.467 298 L N 5.734 126.870 121.223 -0.145 0.000 2.385 298 L HA 0.875 5.215 4.340 -0.000 0.000 0.273 298 L C -0.411 176.432 176.870 -0.044 0.000 0.990 298 L CA -0.378 54.370 54.840 -0.154 0.000 0.821 298 L CB 1.913 43.763 42.059 -0.348 0.000 1.279 298 L HN 0.811 nan 8.230 nan 0.000 0.412 299 A N 2.098 124.946 122.820 0.047 0.000 2.540 299 A HA 0.764 5.084 4.320 -0.000 0.000 0.291 299 A C -1.671 175.970 177.584 0.095 0.000 1.083 299 A CA -0.483 51.599 52.037 0.076 0.000 0.650 299 A CB 1.382 20.451 19.000 0.115 0.000 1.292 299 A HN 0.632 nan 8.150 nan 0.000 0.435 300 C N -0.095 119.253 119.300 0.080 0.000 2.529 300 C HA 0.895 5.355 4.460 -0.000 0.000 0.329 300 C C 1.481 176.529 174.990 0.098 0.000 1.194 300 C CA 0.506 59.554 59.018 0.050 0.000 1.779 300 C CB 0.526 28.279 27.740 0.021 0.000 2.322 300 C HN 2.573 nan 8.230 nan 0.000 0.500 301 G N 2.455 111.297 108.800 0.069 0.000 2.622 301 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.307 301 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.307 301 G C 0.966 175.938 174.900 0.119 0.000 1.226 301 G CA 0.976 46.118 45.100 0.071 0.000 0.997 301 G HN 0.749 nan 8.290 nan 0.000 0.551 302 T N 0.856 115.452 114.554 0.070 0.000 2.867 302 T HA 0.040 4.390 4.350 -0.000 0.000 0.268 302 T C 2.764 177.593 174.700 0.214 0.000 1.057 302 T CA 2.085 64.219 62.100 0.057 0.000 1.136 302 T CB -0.325 68.528 68.868 -0.026 0.000 0.874 302 T HN 0.458 nan 8.240 nan 0.000 0.466 303 S N 0.239 116.050 115.700 0.184 0.000 2.406 303 S HA -0.038 4.432 4.470 -0.000 0.000 0.228 303 S C 1.627 176.330 174.600 0.172 0.000 1.020 303 S CA 0.502 58.805 58.200 0.171 0.000 0.965 303 S CB -0.344 62.924 63.200 0.113 0.000 0.798 303 S HN 0.658 nan 8.310 nan 0.000 0.488 304 Y N 3.207 123.538 120.300 0.052 0.000 2.242 304 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 304 Y C 1.870 177.801 175.900 0.050 0.000 1.137 304 Y CA 1.327 59.447 58.100 0.033 0.000 1.181 304 Y CB -0.449 38.020 38.460 0.015 0.000 0.989 304 Y HN 0.161 nan 8.280 nan 0.000 0.527 305 N N 0.095 118.850 118.700 0.092 0.000 2.166 305 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 305 N C 2.117 177.670 175.510 0.072 0.000 1.019 305 N CA 1.715 54.758 53.050 -0.011 0.000 0.856 305 N CB -0.717 37.797 38.487 0.044 0.000 0.993 305 N HN 0.570 nan 8.380 nan 0.000 0.426 306 S N -0.494 115.340 115.700 0.223 0.000 2.402 306 S HA -0.018 4.452 4.470 -0.000 0.000 0.229 306 S C 2.141 176.660 174.600 -0.136 0.000 1.021 306 S CA 1.114 59.262 58.200 -0.087 0.000 0.974 306 S CB -0.872 62.126 63.200 -0.337 0.000 0.800 306 S HN 0.330 nan 8.310 nan 0.000 0.484 307 G N 1.643 110.382 108.800 -0.102 0.000 2.432 307 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.219 307 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.219 307 G C 1.487 176.294 174.900 -0.155 0.000 1.135 307 G CA 0.931 45.978 45.100 -0.088 0.000 0.767 307 G HN 0.397 nan 8.290 nan 0.000 0.550 308 M N 0.394 119.820 119.600 -0.290 0.000 2.254 308 M HA 0.015 4.495 4.480 -0.000 0.000 0.265 308 M C 2.725 178.959 176.300 -0.110 0.000 1.066 308 M CA 0.668 55.812 55.300 -0.260 0.000 1.123 308 M CB -0.681 31.686 32.600 -0.389 0.000 1.388 308 M HN 0.124 nan 8.290 nan 0.000 0.425 309 V N 0.632 120.417 119.914 -0.214 0.000 2.261 309 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 309 V C 2.602 178.366 176.094 -0.550 0.000 1.047 309 V CA 2.166 64.226 62.300 -0.400 0.000 1.015 309 V CB -1.254 30.209 31.823 -0.601 0.000 0.642 309 V HN 0.588 nan 8.190 nan 0.000 0.446 310 S N 0.782 116.234 115.700 -0.414 0.000 2.419 310 S HA -0.298 4.172 4.470 -0.000 0.000 0.233 310 S C 2.074 176.709 174.600 0.059 0.000 1.016 310 S CA 1.703 59.788 58.200 -0.193 0.000 0.974 310 S CB -0.681 62.574 63.200 0.092 0.000 0.786 310 S HN 0.581 nan 8.310 nan 0.000 0.492 311 R N -0.043 120.511 120.500 0.091 0.000 2.133 311 R HA -0.181 4.159 4.340 -0.000 0.000 0.247 311 R C 1.857 178.168 176.300 0.019 0.000 1.151 311 R CA 1.973 58.127 56.100 0.090 0.000 0.971 311 R CB -0.571 29.685 30.300 -0.074 0.000 0.866 311 R HN 0.584 nan 8.270 nan 0.000 0.447 312 Y N -1.229 119.018 120.300 -0.088 0.000 2.242 312 Y HA -0.231 4.319 4.550 -0.000 0.000 0.291 312 Y C 2.093 178.022 175.900 0.049 0.000 1.137 312 Y CA 1.133 59.195 58.100 -0.063 0.000 1.181 312 Y CB -0.217 38.139 38.460 -0.173 0.000 0.989 312 Y HN 0.174 nan 8.280 nan 0.000 0.527 313 W N -1.322 120.021 121.300 0.072 0.000 2.407 313 W HA -0.108 4.552 4.660 0.000 0.000 0.305 313 W C 2.069 178.529 176.519 -0.099 0.000 1.196 313 W CA 0.658 57.951 57.345 -0.087 0.000 1.311 313 W CB -1.524 27.766 29.460 -0.283 0.000 1.135 313 W HN 0.060 nan 8.180 nan 0.000 0.514 314 F N 1.174 121.271 119.950 0.245 0.000 2.095 314 F HA -0.204 4.323 4.527 0.000 0.000 0.298 314 F C 2.353 178.193 175.800 0.067 0.000 1.104 314 F CA 1.737 59.804 58.000 0.113 0.000 1.232 314 F CB -1.079 37.949 39.000 0.047 0.000 0.987 314 F HN -0.040 nan 8.300 nan 0.000 0.475 315 E N -0.393 119.951 120.200 0.241 0.000 2.072 315 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 315 E C 2.311 178.983 176.600 0.119 0.000 0.985 315 E CA 1.694 58.172 56.400 0.131 0.000 0.801 315 E CB -0.358 29.379 29.700 0.061 0.000 0.750 315 E HN 0.438 nan 8.360 nan 0.000 0.452 316 S N 0.165 115.950 115.700 0.142 0.000 2.439 316 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 316 S C 2.005 176.669 174.600 0.107 0.000 1.029 316 S CA 0.229 58.504 58.200 0.126 0.000 0.946 316 S CB -0.086 63.211 63.200 0.161 0.000 0.797 316 S HN 0.104 nan 8.310 nan 0.000 0.504 317 L N 0.254 121.545 121.223 0.112 0.000 2.362 317 L HA 0.459 4.799 4.340 -0.000 0.000 0.204 317 L C 2.600 179.502 176.870 0.053 0.000 1.060 317 L CA 0.834 55.710 54.840 0.059 0.000 0.827 317 L CB -0.312 41.755 42.059 0.013 0.000 1.027 317 L HN 0.421 nan 8.230 nan 0.000 0.474 318 A N -0.357 122.521 122.820 0.096 0.000 2.348 318 A HA 0.394 4.714 4.320 -0.000 0.000 0.224 318 A C 1.579 179.222 177.584 0.098 0.000 1.227 318 A CA 0.546 52.645 52.037 0.103 0.000 0.885 318 A CB -0.126 18.981 19.000 0.178 0.000 0.933 318 A HN 0.439 nan 8.150 nan 0.000 0.506 319 G N -0.134 108.725 108.800 0.098 0.000 2.249 319 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.273 319 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.273 319 G C -0.014 174.928 174.900 0.071 0.000 1.036 319 G CA 0.672 45.816 45.100 0.075 0.000 0.824 319 G HN 0.518 nan 8.290 nan 0.000 0.504 320 I N 0.684 121.310 120.570 0.093 0.000 2.378 320 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 320 I C -2.053 174.077 176.117 0.022 0.000 0.992 320 I CA -2.687 58.643 61.300 0.049 0.000 1.154 320 I CB 1.964 39.977 38.000 0.021 0.000 1.315 320 I HN -0.183 nan 8.210 nan 0.000 0.448 321 P HA -0.080 nan 4.420 nan 0.000 0.262 321 P C -0.853 176.360 177.300 -0.145 0.000 1.182 321 P CA 0.021 63.126 63.100 0.010 0.000 0.761 321 P CB 0.295 32.066 31.700 0.118 0.000 0.795 322 C N 4.835 124.058 119.300 -0.129 0.000 2.516 322 C HA 0.379 4.839 4.460 -0.000 0.000 0.338 322 C C -1.244 173.681 174.990 -0.109 0.000 1.132 322 C CA -0.500 58.382 59.018 -0.226 0.000 1.310 322 C CB 0.397 28.078 27.740 -0.097 0.000 1.898 322 C HN 0.506 nan 8.230 nan 0.000 0.452 323 D N 3.816 124.156 120.400 -0.101 0.000 2.198 323 D HA 0.632 5.272 4.640 -0.000 0.000 0.247 323 D C -0.708 175.601 176.300 0.015 0.000 1.010 323 D CA -0.136 53.884 54.000 0.032 0.000 0.880 323 D CB 2.197 43.102 40.800 0.176 0.000 1.209 323 D HN 0.382 nan 8.370 nan 0.000 0.451 324 V N 0.996 120.942 119.914 0.054 0.000 2.588 324 V HA 0.466 4.586 4.120 -0.000 0.000 0.304 324 V C -0.188 176.053 176.094 0.245 0.000 1.042 324 V CA -0.732 61.611 62.300 0.072 0.000 0.877 324 V CB 2.038 33.825 31.823 -0.060 0.000 0.996 324 V HN 0.521 nan 8.190 nan 0.000 0.425 325 E N 3.548 123.914 120.200 0.277 0.000 2.356 325 E HA 0.601 4.951 4.350 -0.000 0.000 0.275 325 E C -0.805 175.908 176.600 0.189 0.000 0.904 325 E CA -0.931 55.644 56.400 0.292 0.000 0.757 325 E CB 2.324 32.162 29.700 0.229 0.000 1.232 325 E HN 0.784 nan 8.360 nan 0.000 0.442 326 I N 0.965 121.476 120.570 -0.100 0.000 2.634 326 I HA 0.346 4.516 4.170 -0.000 0.000 0.284 326 I C 0.872 176.961 176.117 -0.046 0.000 1.124 326 I CA -0.189 60.960 61.300 -0.251 0.000 1.417 326 I CB 1.444 39.169 38.000 -0.458 0.000 1.396 326 I HN 0.614 nan 8.210 nan 0.000 0.571 327 A N 3.964 126.763 122.820 -0.034 0.000 2.067 327 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 327 A C 2.258 179.849 177.584 0.012 0.000 1.156 327 A CA 1.352 53.392 52.037 0.005 0.000 0.683 327 A CB -0.825 18.157 19.000 -0.031 0.000 0.808 327 A HN 0.961 nan 8.150 nan 0.000 0.455 328 S N -0.578 115.112 115.700 -0.016 0.000 2.453 328 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 328 S C 1.503 176.127 174.600 0.039 0.000 1.005 328 S CA 1.104 59.300 58.200 -0.007 0.000 0.949 328 S CB -0.082 63.128 63.200 0.017 0.000 0.774 328 S HN 0.505 nan 8.310 nan 0.000 0.510 329 E N 0.775 121.005 120.200 0.050 0.000 2.075 329 E HA 0.158 4.508 4.350 -0.000 0.000 0.190 329 E C 1.578 178.233 176.600 0.091 0.000 0.969 329 E CA 0.353 56.801 56.400 0.080 0.000 0.815 329 E CB -0.553 29.183 29.700 0.059 0.000 0.776 329 E HN 0.607 nan 8.360 nan 0.000 0.457 330 F N 3.176 123.104 119.950 -0.037 0.000 2.120 330 F HA -0.233 4.294 4.527 0.000 0.000 0.300 330 F C 2.372 178.120 175.800 -0.087 0.000 1.095 330 F CA 2.108 60.087 58.000 -0.034 0.000 1.249 330 F CB 0.014 38.997 39.000 -0.027 0.000 0.995 330 F HN -0.047 nan 8.300 nan 0.000 0.480 331 R N -1.504 118.984 120.500 -0.020 0.000 2.285 331 R HA -0.157 4.183 4.340 -0.000 0.000 0.213 331 R C 0.673 176.688 176.300 -0.476 0.000 1.068 331 R CA 1.564 57.500 56.100 -0.272 0.000 1.004 331 R CB -0.794 29.255 30.300 -0.418 0.000 0.873 331 R HN 0.372 nan 8.270 nan 0.000 0.467 332 Y N 1.183 121.437 120.300 -0.077 0.000 2.500 332 Y HA 0.272 4.822 4.550 -0.000 0.000 0.246 332 Y C 0.266 176.097 175.900 -0.114 0.000 1.146 332 Y CA -1.088 56.965 58.100 -0.078 0.000 1.230 332 Y CB 0.382 38.816 38.460 -0.043 0.000 1.214 332 Y HN 0.071 nan 8.280 nan 0.000 0.526 333 R N 0.866 121.322 120.500 -0.073 0.000 2.500 333 R HA 0.344 4.683 4.340 -0.000 0.000 0.275 333 R C -0.156 176.047 176.300 -0.162 0.000 1.051 333 R CA -0.851 55.188 56.100 -0.101 0.000 1.088 333 R CB 0.941 31.192 30.300 -0.082 0.000 1.063 333 R HN -0.055 nan 8.270 nan 0.000 0.511 334 K N 2.452 122.796 120.400 -0.093 0.000 2.206 334 K HA 0.103 4.423 4.320 -0.000 0.000 0.268 334 K C -0.775 175.770 176.600 -0.091 0.000 1.111 334 K CA -0.377 55.859 56.287 -0.085 0.000 0.955 334 K CB 0.558 33.031 32.500 -0.045 0.000 1.406 334 K HN 0.792 nan 8.250 nan 0.000 0.427 335 S N 2.115 117.735 115.700 -0.133 0.000 2.672 335 S HA 0.618 5.088 4.470 -0.000 0.000 0.276 335 S C -0.129 174.445 174.600 -0.043 0.000 1.207 335 S CA -1.048 57.097 58.200 -0.092 0.000 1.002 335 S CB 1.734 64.853 63.200 -0.136 0.000 0.998 335 S HN 0.547 nan 8.310 nan 0.000 0.542 336 A N 1.574 124.377 122.820 -0.027 0.000 2.258 336 A HA 0.620 4.940 4.320 -0.000 0.000 0.316 336 A C -0.347 177.194 177.584 -0.072 0.000 1.279 336 A CA -0.812 51.197 52.037 -0.046 0.000 0.876 336 A CB 0.126 19.099 19.000 -0.045 0.000 1.170 336 A HN 0.801 nan 8.150 nan 0.000 0.520 337 V N 3.771 123.620 119.914 -0.109 0.000 2.461 337 V HA 0.245 4.365 4.120 -0.000 0.000 0.275 337 V C 0.724 176.651 176.094 -0.279 0.000 1.047 337 V CA -0.494 61.666 62.300 -0.233 0.000 0.955 337 V CB 0.719 32.358 31.823 -0.306 0.000 0.988 337 V HN 0.965 nan 8.190 nan 0.000 0.471 338 R N 2.667 122.929 120.500 -0.397 0.000 2.738 338 R HA 0.530 4.870 4.340 -0.000 0.000 0.268 338 R C 0.649 176.787 176.300 -0.270 0.000 1.062 338 R CA 0.031 55.901 56.100 -0.382 0.000 1.158 338 R CB 0.135 30.008 30.300 -0.712 0.000 1.046 338 R HN 0.860 nan 8.270 nan 0.000 0.493 339 R N 2.002 122.399 120.500 -0.170 0.000 2.491 339 R HA 0.091 4.431 4.340 -0.000 0.000 0.283 339 R C 0.086 176.340 176.300 -0.078 0.000 1.072 339 R CA -0.044 55.990 56.100 -0.110 0.000 1.048 339 R CB -0.706 29.552 30.300 -0.070 0.000 0.983 339 R HN 0.825 nan 8.270 nan 0.000 0.450 340 N N 0.027 118.690 118.700 -0.062 0.000 2.727 340 N HA -0.142 4.598 4.740 -0.000 0.000 0.251 340 N C -0.761 174.758 175.510 0.015 0.000 1.040 340 N CA 1.364 54.404 53.050 -0.017 0.000 0.712 340 N CB -1.024 37.461 38.487 -0.003 0.000 0.912 340 N HN 0.791 nan 8.380 nan 0.000 0.545 341 S N 0.375 116.070 115.700 -0.007 0.000 2.442 341 S HA 0.544 5.014 4.470 -0.000 0.000 0.297 341 S C -0.135 174.600 174.600 0.226 0.000 1.131 341 S CA -0.793 57.474 58.200 0.113 0.000 1.092 341 S CB 0.939 64.116 63.200 -0.039 0.000 0.998 341 S HN 0.323 nan 8.310 nan 0.000 0.478 342 L N 6.047 127.367 121.223 0.161 0.000 2.276 342 L HA 0.630 4.970 4.340 -0.000 0.000 0.286 342 L C -0.271 176.660 176.870 0.102 0.000 1.061 342 L CA -0.275 54.626 54.840 0.103 0.000 0.807 342 L CB 1.110 43.155 42.059 -0.022 0.000 1.177 342 L HN 0.804 nan 8.230 nan 0.000 0.429 343 M N 6.815 126.449 119.600 0.056 0.000 2.120 343 M HA 0.446 4.926 4.480 -0.000 0.000 0.354 343 M C -1.266 174.952 176.300 -0.135 0.000 1.287 343 M CA 0.359 55.573 55.300 -0.142 0.000 1.103 343 M CB 0.097 32.469 32.600 -0.381 0.000 1.623 343 M HN 0.483 nan 8.290 nan 0.000 0.471 344 I N 5.434 125.915 120.570 -0.148 0.000 2.382 344 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 344 I C -0.189 175.859 176.117 -0.114 0.000 1.002 344 I CA -0.678 60.556 61.300 -0.110 0.000 1.135 344 I CB 1.862 39.802 38.000 -0.100 0.000 1.288 344 I HN 0.768 nan 8.210 nan 0.000 0.448 345 T N 4.921 119.419 114.554 -0.093 0.000 2.875 345 T HA 0.723 5.073 4.350 -0.000 0.000 0.284 345 T C -0.499 174.181 174.700 -0.033 0.000 0.995 345 T CA -0.737 61.317 62.100 -0.077 0.000 1.060 345 T CB 1.629 70.448 68.868 -0.081 0.000 0.967 345 T HN 0.308 nan 8.240 nan 0.000 0.476 346 L N 2.219 123.434 121.223 -0.013 0.000 2.341 346 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 346 L C 0.049 176.930 176.870 0.018 0.000 1.005 346 L CA -0.615 54.231 54.840 0.010 0.000 0.818 346 L CB 2.069 44.144 42.059 0.026 0.000 1.259 346 L HN 0.886 nan 8.230 nan 0.000 0.418 347 S N 1.134 116.845 115.700 0.018 0.000 2.582 347 S HA 0.123 4.593 4.470 -0.000 0.000 0.287 347 S C 0.034 174.649 174.600 0.024 0.000 1.146 347 S CA -0.493 57.722 58.200 0.025 0.000 0.941 347 S CB 1.752 64.959 63.200 0.012 0.000 1.115 347 S HN 0.702 nan 8.310 nan 0.000 0.458 348 Q N 2.774 122.596 119.800 0.036 0.000 2.016 348 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 348 Q C 1.853 177.869 176.000 0.026 0.000 0.978 348 Q CA 2.636 58.458 55.803 0.032 0.000 0.833 348 Q CB -0.481 28.282 28.738 0.043 0.000 0.895 348 Q HN 0.858 nan 8.270 nan 0.000 0.427 349 S N -1.451 114.271 115.700 0.036 0.000 2.414 349 S HA 0.089 4.559 4.470 -0.000 0.000 0.227 349 S C 1.489 176.100 174.600 0.019 0.000 1.022 349 S CA 1.079 59.301 58.200 0.037 0.000 0.958 349 S CB -0.175 63.058 63.200 0.055 0.000 0.797 349 S HN 0.627 nan 8.310 nan 0.000 0.493 350 G N 0.661 109.469 108.800 0.012 0.000 2.143 350 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.248 350 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.248 350 G C 0.431 175.331 174.900 -0.000 0.000 0.991 350 G CA 0.514 45.613 45.100 -0.001 0.000 0.689 350 G HN 0.492 nan 8.290 nan 0.000 0.522 351 E N -0.450 119.756 120.200 0.010 0.000 2.676 351 E HA 0.150 4.500 4.350 -0.000 0.000 0.225 351 E C 0.842 177.449 176.600 0.011 0.000 0.944 351 E CA 0.397 56.803 56.400 0.009 0.000 1.156 351 E CB 0.192 29.902 29.700 0.016 0.000 1.117 351 E HN 0.344 nan 8.360 nan 0.000 0.523 352 T N 1.474 116.037 114.554 0.015 0.000 2.822 352 T HA 0.065 4.415 4.350 -0.000 0.000 0.288 352 T C 1.443 176.141 174.700 -0.004 0.000 0.991 352 T CA 0.607 62.715 62.100 0.013 0.000 1.176 352 T CB 1.077 69.957 68.868 0.019 0.000 0.951 352 T HN 0.155 nan 8.240 nan 0.000 0.526 353 A N 4.031 126.846 122.820 -0.010 0.000 1.883 353 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 353 A C 2.120 179.688 177.584 -0.027 0.000 1.186 353 A CA 1.541 53.568 52.037 -0.016 0.000 0.624 353 A CB -0.336 18.651 19.000 -0.020 0.000 0.822 353 A HN 0.754 nan 8.150 nan 0.000 0.444 354 D N -0.882 119.499 120.400 -0.032 0.000 2.149 354 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 354 D C 2.043 178.315 176.300 -0.048 0.000 0.972 354 D CA 1.721 55.691 54.000 -0.051 0.000 0.835 354 D CB -0.626 40.146 40.800 -0.047 0.000 0.966 354 D HN 0.416 nan 8.370 nan 0.000 0.476 355 T N 1.310 115.842 114.554 -0.036 0.000 2.821 355 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 355 T C 1.877 176.544 174.700 -0.055 0.000 1.046 355 T CA 0.405 62.477 62.100 -0.047 0.000 1.139 355 T CB -0.232 68.618 68.868 -0.031 0.000 0.871 355 T HN 0.023 nan 8.240 nan 0.000 0.454 356 L N 1.453 122.653 121.223 -0.039 0.000 2.083 356 L HA 0.122 4.461 4.340 -0.000 0.000 0.209 356 L C 2.546 179.394 176.870 -0.037 0.000 1.083 356 L CA 1.654 56.473 54.840 -0.035 0.000 0.752 356 L CB -1.026 41.021 42.059 -0.021 0.000 0.899 356 L HN 0.229 nan 8.230 nan 0.000 0.433 357 A N -0.893 121.903 122.820 -0.039 0.000 1.968 357 A HA 0.046 4.365 4.320 -0.000 0.000 0.217 357 A C 2.321 179.893 177.584 -0.019 0.000 1.169 357 A CA 1.166 53.179 52.037 -0.041 0.000 0.638 357 A CB -1.376 17.576 19.000 -0.080 0.000 0.812 357 A HN 0.494 nan 8.150 nan 0.000 0.446 358 G N 0.381 109.178 108.800 -0.005 0.000 2.480 358 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 358 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 358 G C 1.513 176.394 174.900 -0.032 0.000 1.200 358 G CA 1.314 46.451 45.100 0.061 0.000 0.782 358 G HN 0.573 nan 8.290 nan 0.000 0.554 359 L N 0.642 121.804 121.223 -0.103 0.000 2.013 359 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 359 L C 2.872 179.703 176.870 -0.066 0.000 1.073 359 L CA 2.147 56.916 54.840 -0.119 0.000 0.753 359 L CB -0.602 41.399 42.059 -0.097 0.000 0.890 359 L HN 0.168 nan 8.230 nan 0.000 0.432 360 R N -1.000 119.481 120.500 -0.032 0.000 2.105 360 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 360 R C 2.179 178.485 176.300 0.010 0.000 1.135 360 R CA 1.614 57.707 56.100 -0.010 0.000 0.967 360 R CB -0.654 29.643 30.300 -0.004 0.000 0.861 360 R HN 0.376 nan 8.270 nan 0.000 0.442 361 L N 0.686 121.927 121.223 0.030 0.000 2.093 361 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 361 L C 2.202 179.121 176.870 0.082 0.000 1.085 361 L CA 2.081 56.958 54.840 0.061 0.000 0.755 361 L CB -0.642 41.469 42.059 0.087 0.000 0.904 361 L HN 0.213 nan 8.230 nan 0.000 0.435 362 S N -0.999 114.723 115.700 0.036 0.000 2.400 362 S HA -0.238 4.232 4.470 -0.000 0.000 0.232 362 S C 1.972 176.602 174.600 0.049 0.000 1.025 362 S CA 1.192 59.348 58.200 -0.074 0.000 0.993 362 S CB -0.608 62.296 63.200 -0.494 0.000 0.808 362 S HN 0.547 nan 8.310 nan 0.000 0.478 363 K N 0.998 121.413 120.400 0.027 0.000 2.063 363 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 363 K C 2.377 179.023 176.600 0.076 0.000 1.048 363 K CA 1.555 57.873 56.287 0.052 0.000 0.928 363 K CB -0.258 32.257 32.500 0.025 0.000 0.713 363 K HN 0.643 nan 8.250 nan 0.000 0.442 364 E N 0.955 121.198 120.200 0.072 0.000 2.208 364 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 364 E C 1.600 178.251 176.600 0.085 0.000 0.988 364 E CA 0.408 56.847 56.400 0.064 0.000 0.828 364 E CB 0.230 29.959 29.700 0.050 0.000 0.763 364 E HN 0.247 nan 8.360 nan 0.000 0.478 365 L N -0.351 120.957 121.223 0.142 0.000 2.592 365 L HA 0.217 4.557 4.340 -0.000 0.000 0.227 365 L C 1.025 177.997 176.870 0.169 0.000 1.127 365 L CA 0.399 55.341 54.840 0.170 0.000 0.884 365 L CB 0.321 42.551 42.059 0.284 0.000 1.065 365 L HN 0.290 nan 8.230 nan 0.000 0.457 366 G N -0.232 108.672 108.800 0.174 0.000 2.256 366 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.272 366 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.272 366 G C -0.157 174.820 174.900 0.128 0.000 1.076 366 G CA -0.298 44.875 45.100 0.122 0.000 0.882 366 G HN 0.164 nan 8.290 nan 0.000 0.497 367 Y N -0.986 119.335 120.300 0.034 0.000 2.330 367 Y HA 0.377 4.927 4.550 -0.000 0.000 0.341 367 Y C 2.041 177.953 175.900 0.020 0.000 1.278 367 Y CA -0.174 57.946 58.100 0.033 0.000 1.453 367 Y CB 0.398 38.882 38.460 0.039 0.000 1.342 367 Y HN 0.105 nan 8.280 nan 0.000 0.590 368 L N 0.168 121.487 121.223 0.160 0.000 2.017 368 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 368 L C 0.945 177.868 176.870 0.089 0.000 1.073 368 L CA 1.874 56.769 54.840 0.092 0.000 0.745 368 L CB -0.466 41.633 42.059 0.067 0.000 0.894 368 L HN 0.882 nan 8.230 nan 0.000 0.432 369 G N -2.098 106.765 108.800 0.106 0.000 2.488 369 G HA2 0.391 4.351 3.960 -0.000 0.000 0.301 369 G HA3 0.391 4.351 3.960 -0.000 0.000 0.301 369 G C -1.680 173.242 174.900 0.036 0.000 1.339 369 G CA 0.156 45.290 45.100 0.057 0.000 0.803 369 G HN 0.115 nan 8.290 nan 0.000 0.482 370 S N -0.646 115.051 115.700 -0.004 0.000 2.536 370 S HA 0.769 5.239 4.470 -0.000 0.000 0.287 370 S C -1.044 173.536 174.600 -0.035 0.000 1.101 370 S CA -0.818 57.357 58.200 -0.041 0.000 0.950 370 S CB 2.092 65.252 63.200 -0.067 0.000 1.056 370 S HN 1.099 nan 8.310 nan 0.000 0.481 371 L N 2.533 123.730 121.223 -0.044 0.000 2.356 371 L HA 0.785 5.125 4.340 -0.000 0.000 0.277 371 L C -0.536 176.313 176.870 -0.035 0.000 0.996 371 L CA -0.563 54.259 54.840 -0.030 0.000 0.822 371 L CB 1.291 43.337 42.059 -0.022 0.000 1.256 371 L HN 1.083 nan 8.230 nan 0.000 0.413 372 A N 6.586 129.389 122.820 -0.028 0.000 2.290 372 A HA 0.655 4.975 4.320 -0.000 0.000 0.310 372 A C -0.468 177.108 177.584 -0.014 0.000 1.202 372 A CA -0.517 51.505 52.037 -0.027 0.000 0.837 372 A CB 0.505 19.488 19.000 -0.028 0.000 1.139 372 A HN 0.719 nan 8.150 nan 0.000 0.509 373 I N 2.335 122.900 120.570 -0.009 0.000 2.328 373 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 373 I C -0.408 175.707 176.117 -0.004 0.000 1.012 373 I CA -0.189 61.110 61.300 -0.001 0.000 1.195 373 I CB 1.115 39.123 38.000 0.013 0.000 1.350 373 I HN 0.649 nan 8.210 nan 0.000 0.464 374 C N 5.060 124.356 119.300 -0.007 0.000 2.888 374 C HA 0.353 4.813 4.460 -0.000 0.000 0.308 374 C C 1.041 176.025 174.990 -0.010 0.000 1.213 374 C CA -0.556 58.458 59.018 -0.008 0.000 1.461 374 C CB 1.891 29.622 27.740 -0.015 0.000 1.934 374 C HN 0.853 nan 8.230 nan 0.000 0.474 375 N N 1.170 119.867 118.700 -0.005 0.000 2.412 375 N HA 0.173 4.913 4.740 -0.000 0.000 0.184 375 N C -0.418 175.082 175.510 -0.016 0.000 1.101 375 N CA 0.617 53.661 53.050 -0.009 0.000 0.881 375 N CB 0.345 38.830 38.487 -0.004 0.000 0.969 375 N HN 0.495 nan 8.380 nan 0.000 0.459 376 V N 2.257 122.160 119.914 -0.019 0.000 2.325 376 V HA 0.396 4.516 4.120 -0.000 0.000 0.280 376 V C -2.320 173.744 176.094 -0.049 0.000 1.016 376 V CA -1.917 60.365 62.300 -0.029 0.000 0.818 376 V CB 1.370 33.184 31.823 -0.016 0.000 1.019 376 V HN 0.015 nan 8.190 nan 0.000 0.434 377 P HA 0.097 nan 4.420 nan 0.000 0.260 377 P C 1.071 178.297 177.300 -0.123 0.000 1.172 377 P CA 1.585 64.633 63.100 -0.088 0.000 0.760 377 P CB 0.445 32.087 31.700 -0.097 0.000 0.773 378 G N 2.086 110.820 108.800 -0.111 0.000 2.153 378 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 378 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 378 G C 0.405 175.243 174.900 -0.104 0.000 0.994 378 G CA 0.337 45.358 45.100 -0.132 0.000 0.698 378 G HN 0.739 nan 8.290 nan 0.000 0.521 379 S N -0.797 114.861 115.700 -0.070 0.000 2.624 379 S HA 0.660 5.130 4.470 -0.000 0.000 0.263 379 S C 1.586 176.166 174.600 -0.033 0.000 1.287 379 S CA 0.542 58.717 58.200 -0.042 0.000 0.990 379 S CB 1.602 64.786 63.200 -0.028 0.000 0.950 379 S HN 0.529 nan 8.310 nan 0.000 0.561 380 S N 0.386 116.074 115.700 -0.021 0.000 2.370 380 S HA -0.076 4.394 4.470 -0.000 0.000 0.226 380 S C 1.728 176.315 174.600 -0.023 0.000 1.033 380 S CA 1.313 59.502 58.200 -0.018 0.000 1.011 380 S CB -0.745 62.448 63.200 -0.011 0.000 0.852 380 S HN 0.584 nan 8.310 nan 0.000 0.457 381 L N 0.673 121.882 121.223 -0.024 0.000 2.156 381 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 381 L C 2.281 179.133 176.870 -0.030 0.000 1.095 381 L CA 0.595 55.418 54.840 -0.029 0.000 0.770 381 L CB -0.404 41.639 42.059 -0.028 0.000 0.914 381 L HN 0.188 nan 8.230 nan 0.000 0.439 382 V N 0.637 120.532 119.914 -0.030 0.000 2.270 382 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 382 V C 2.644 178.719 176.094 -0.031 0.000 1.043 382 V CA 2.194 64.475 62.300 -0.032 0.000 1.014 382 V CB -0.662 31.139 31.823 -0.037 0.000 0.645 382 V HN 0.579 nan 8.190 nan 0.000 0.447 383 R N 0.674 121.155 120.500 -0.032 0.000 2.148 383 R HA -0.116 4.224 4.340 -0.000 0.000 0.227 383 R C 1.650 177.938 176.300 -0.021 0.000 1.103 383 R CA 1.799 57.883 56.100 -0.027 0.000 0.983 383 R CB -0.421 29.862 30.300 -0.028 0.000 0.874 383 R HN 0.547 nan 8.270 nan 0.000 0.451 384 E N 1.012 121.198 120.200 -0.022 0.000 2.474 384 E HA 0.112 4.462 4.350 -0.000 0.000 0.194 384 E C -0.158 176.428 176.600 -0.023 0.000 1.041 384 E CA -0.128 56.260 56.400 -0.020 0.000 0.874 384 E CB 0.566 30.254 29.700 -0.020 0.000 0.914 384 E HN 0.203 nan 8.360 nan 0.000 0.498 385 S N 1.186 116.870 115.700 -0.027 0.000 2.617 385 S HA 0.031 4.501 4.470 -0.000 0.000 0.269 385 S C 0.659 175.247 174.600 -0.020 0.000 1.292 385 S CA -0.587 57.595 58.200 -0.029 0.000 1.010 385 S CB 0.909 64.089 63.200 -0.033 0.000 0.944 385 S HN 0.129 nan 8.310 nan 0.000 0.536 386 D N 0.489 120.879 120.400 -0.016 0.000 2.183 386 D HA 0.098 4.738 4.640 -0.000 0.000 0.203 386 D C 0.247 176.542 176.300 -0.009 0.000 0.969 386 D CA 1.095 55.090 54.000 -0.009 0.000 0.842 386 D CB 0.142 40.941 40.800 -0.002 0.000 0.957 386 D HN 0.283 nan 8.370 nan 0.000 0.484 387 L N -0.415 120.801 121.223 -0.013 0.000 2.393 387 L HA 0.671 5.011 4.340 -0.000 0.000 0.260 387 L C -0.878 175.983 176.870 -0.014 0.000 1.002 387 L CA -0.952 53.882 54.840 -0.011 0.000 0.818 387 L CB 2.502 44.557 42.059 -0.007 0.000 1.369 387 L HN -0.211 nan 8.230 nan 0.000 0.412 388 A N 2.128 124.940 122.820 -0.013 0.000 2.515 388 A HA 0.858 5.178 4.320 -0.000 0.000 0.298 388 A C -1.906 175.671 177.584 -0.011 0.000 1.059 388 A CA -0.372 51.656 52.037 -0.015 0.000 0.698 388 A CB 1.969 20.956 19.000 -0.020 0.000 1.289 388 A HN 0.418 nan 8.150 nan 0.000 0.404 389 L N 3.105 124.323 121.223 -0.009 0.000 2.471 389 L HA 0.469 4.809 4.340 -0.000 0.000 0.263 389 L C -0.597 176.267 176.870 -0.011 0.000 0.985 389 L CA -0.428 54.407 54.840 -0.007 0.000 0.868 389 L CB 1.473 43.532 42.059 0.001 0.000 1.203 389 L HN 0.732 nan 8.230 nan 0.000 0.429 390 M N 1.682 121.272 119.600 -0.015 0.000 2.238 390 M HA 0.215 4.695 4.480 -0.000 0.000 0.347 390 M C 1.584 177.874 176.300 -0.017 0.000 1.173 390 M CA 0.015 55.304 55.300 -0.018 0.000 1.147 390 M CB 0.580 33.166 32.600 -0.023 0.000 1.547 390 M HN 0.679 nan 8.290 nan 0.000 0.455 391 T N -1.447 113.097 114.554 -0.017 0.000 3.023 391 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 391 T C 0.664 175.352 174.700 -0.020 0.000 1.093 391 T CA 0.476 62.566 62.100 -0.018 0.000 1.129 391 T CB -0.199 68.659 68.868 -0.016 0.000 0.899 391 T HN 0.677 nan 8.240 nan 0.000 0.491 392 N N 0.862 119.549 118.700 -0.020 0.000 2.725 392 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 392 N C 0.758 176.255 175.510 -0.021 0.000 1.103 392 N CA 0.794 53.831 53.050 -0.022 0.000 0.707 392 N CB -1.517 36.957 38.487 -0.021 0.000 1.043 392 N HN 0.732 nan 8.380 nan 0.000 0.553 393 A N -0.335 122.472 122.820 -0.021 0.000 2.169 393 A HA 0.503 4.822 4.320 -0.000 0.000 0.212 393 A C 1.397 178.965 177.584 -0.026 0.000 1.153 393 A CA 1.428 53.452 52.037 -0.022 0.000 0.756 393 A CB -0.035 18.953 19.000 -0.019 0.000 0.813 393 A HN 1.397 nan 8.150 nan 0.000 0.471 394 G N -1.580 107.204 108.800 -0.026 0.000 2.707 394 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.686 394 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.686 394 G C -0.204 174.674 174.900 -0.037 0.000 1.315 394 G CA -0.539 44.544 45.100 -0.028 0.000 0.832 394 G HN 0.673 nan 8.290 nan 0.000 0.573 395 T N 0.980 115.510 114.554 -0.041 0.000 2.933 395 T HA 0.351 4.701 4.350 -0.000 0.000 0.306 395 T C 0.540 175.180 174.700 -0.101 0.000 1.045 395 T CA 1.165 63.224 62.100 -0.068 0.000 1.143 395 T CB 0.920 69.742 68.868 -0.077 0.000 1.003 395 T HN 0.653 nan 8.240 nan 0.000 0.540 396 E N 2.727 122.851 120.200 -0.127 0.000 2.165 396 E HA 0.301 4.651 4.350 -0.000 0.000 0.266 396 E C 0.081 176.503 176.600 -0.298 0.000 0.889 396 E CA -0.654 55.655 56.400 -0.151 0.000 0.756 396 E CB 0.564 30.218 29.700 -0.076 0.000 1.131 396 E HN 0.379 nan 8.360 nan 0.000 0.411 397 I N 2.707 123.037 120.570 -0.400 0.000 3.718 397 I HA 0.138 4.308 4.170 -0.000 0.000 0.297 397 I C 1.286 177.150 176.117 -0.422 0.000 1.220 397 I CA 0.400 61.231 61.300 -0.782 0.000 1.381 397 I CB -0.532 36.817 38.000 -1.086 0.000 1.238 397 I HN 0.597 nan 8.210 nan 0.000 0.448 398 G N 1.425 110.123 108.800 -0.171 0.000 2.178 398 G HA2 0.193 4.153 3.960 -0.000 0.000 0.244 398 G HA3 0.193 4.153 3.960 -0.000 0.000 0.244 398 G C 1.157 176.042 174.900 -0.025 0.000 1.213 398 G CA -0.107 44.970 45.100 -0.038 0.000 0.912 398 G HN 0.042 nan 8.290 nan 0.000 0.474 399 V N 2.910 122.835 119.914 0.018 0.000 2.469 399 V HA -0.087 4.033 4.120 -0.000 0.000 0.251 399 V C 2.138 178.241 176.094 0.014 0.000 1.064 399 V CA 2.023 64.349 62.300 0.044 0.000 1.066 399 V CB -0.813 31.043 31.823 0.055 0.000 0.667 399 V HN 0.905 nan 8.190 nan 0.000 0.461 400 A N -0.018 122.798 122.820 -0.006 0.000 2.276 400 A HA 0.533 4.853 4.320 -0.000 0.000 0.300 400 A C 0.418 177.981 177.584 -0.035 0.000 1.235 400 A CA -0.109 51.911 52.037 -0.027 0.000 0.867 400 A CB 0.350 19.323 19.000 -0.046 0.000 1.137 400 A HN 0.297 nan 8.150 nan 0.000 0.527 401 S N 1.344 117.027 115.700 -0.029 0.000 2.548 401 S HA 0.408 4.878 4.470 -0.000 0.000 0.277 401 S C 1.383 175.966 174.600 -0.028 0.000 1.315 401 S CA 0.195 58.389 58.200 -0.010 0.000 1.050 401 S CB 1.065 64.287 63.200 0.037 0.000 0.918 401 S HN 0.962 nan 8.310 nan 0.000 0.497 402 T N 0.889 115.435 114.554 -0.014 0.000 3.400 402 T HA 0.118 4.468 4.350 -0.000 0.000 0.228 402 T C 1.634 176.362 174.700 0.047 0.000 0.992 402 T CA -0.215 61.876 62.100 -0.016 0.000 1.222 402 T CB -0.518 68.307 68.868 -0.072 0.000 1.236 402 T HN 0.550 nan 8.240 nan 0.000 0.357 403 K N 2.276 122.677 120.400 0.002 0.000 2.152 403 K HA 0.114 4.434 4.320 -0.000 0.000 0.206 403 K C 2.444 179.065 176.600 0.034 0.000 1.048 403 K CA 1.424 57.715 56.287 0.008 0.000 0.933 403 K CB -0.715 31.768 32.500 -0.028 0.000 0.721 403 K HN 0.381 nan 8.250 nan 0.000 0.447 404 A N 1.006 123.854 122.820 0.047 0.000 1.978 404 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 404 A C 1.921 179.562 177.584 0.095 0.000 1.170 404 A CA 1.222 53.293 52.037 0.057 0.000 0.636 404 A CB -0.684 18.350 19.000 0.056 0.000 0.810 404 A HN 0.562 nan 8.150 nan 0.000 0.448 405 F N -0.052 119.885 119.950 -0.022 0.000 2.219 405 F HA 0.010 4.537 4.527 -0.000 0.000 0.294 405 F C 2.371 178.170 175.800 -0.002 0.000 1.086 405 F CA 1.974 59.964 58.000 -0.017 0.000 1.330 405 F CB -0.379 38.601 39.000 -0.034 0.000 1.047 405 F HN 0.131 nan 8.300 nan 0.000 0.495 406 T N -0.683 113.878 114.554 0.012 0.000 2.978 406 T HA -0.088 4.262 4.350 -0.000 0.000 0.262 406 T C 1.967 176.618 174.700 -0.082 0.000 1.063 406 T CA 1.767 63.825 62.100 -0.070 0.000 1.140 406 T CB -0.364 68.551 68.868 0.079 0.000 0.886 406 T HN 0.505 nan 8.240 nan 0.000 0.470 407 T N -0.101 114.425 114.554 -0.046 0.000 2.985 407 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 407 T C 1.888 176.552 174.700 -0.060 0.000 1.076 407 T CA 0.709 62.784 62.100 -0.042 0.000 1.135 407 T CB -0.271 68.583 68.868 -0.024 0.000 0.890 407 T HN 0.342 nan 8.240 nan 0.000 0.480 408 Q N 0.755 120.503 119.800 -0.086 0.000 2.061 408 Q HA 0.028 4.368 4.340 -0.000 0.000 0.204 408 Q C 2.382 178.327 176.000 -0.093 0.000 0.984 408 Q CA 1.552 57.303 55.803 -0.086 0.000 0.846 408 Q CB -0.506 28.170 28.738 -0.103 0.000 0.902 408 Q HN 0.518 nan 8.270 nan 0.000 0.421 409 L N -0.109 121.009 121.223 -0.176 0.000 2.042 409 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 409 L C 2.453 179.344 176.870 0.035 0.000 1.076 409 L CA 1.250 56.078 54.840 -0.020 0.000 0.749 409 L CB -0.725 41.297 42.059 -0.062 0.000 0.893 409 L HN 0.267 nan 8.230 nan 0.000 0.432 410 T N -0.563 113.969 114.554 -0.036 0.000 2.684 410 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 410 T C 1.974 176.628 174.700 -0.076 0.000 1.036 410 T CA 1.586 63.648 62.100 -0.065 0.000 1.148 410 T CB -0.256 68.582 68.868 -0.050 0.000 0.863 410 T HN 0.071 nan 8.240 nan 0.000 0.436 411 V N 1.239 121.126 119.914 -0.044 0.000 2.358 411 V HA -0.074 4.046 4.120 -0.000 0.000 0.246 411 V C 2.480 178.564 176.094 -0.016 0.000 1.047 411 V CA 1.278 63.560 62.300 -0.030 0.000 1.035 411 V CB -0.664 31.153 31.823 -0.011 0.000 0.658 411 V HN 0.417 nan 8.190 nan 0.000 0.452 412 L N -0.867 120.365 121.223 0.015 0.000 2.043 412 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 412 L C 2.427 179.225 176.870 -0.121 0.000 1.075 412 L CA 1.266 56.133 54.840 0.044 0.000 0.752 412 L CB -0.606 41.542 42.059 0.148 0.000 0.891 412 L HN 0.307 nan 8.230 nan 0.000 0.432 413 L N -0.899 120.190 121.223 -0.224 0.000 2.141 413 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 413 L C 2.402 179.088 176.870 -0.308 0.000 1.094 413 L CA 1.683 56.232 54.840 -0.486 0.000 0.763 413 L CB -0.437 41.219 42.059 -0.671 0.000 0.908 413 L HN 0.205 nan 8.230 nan 0.000 0.437 414 M N -1.926 117.565 119.600 -0.183 0.000 2.086 414 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 414 M C 2.075 178.333 176.300 -0.070 0.000 1.067 414 M CA 1.549 56.779 55.300 -0.116 0.000 1.116 414 M CB -0.408 32.147 32.600 -0.074 0.000 1.348 414 M HN 0.273 nan 8.290 nan 0.000 0.407 415 L N -0.023 121.186 121.223 -0.023 0.000 2.093 415 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 415 L C 2.124 179.052 176.870 0.096 0.000 1.085 415 L CA 1.379 56.263 54.840 0.072 0.000 0.755 415 L CB -0.443 41.723 42.059 0.177 0.000 0.904 415 L HN 0.018 nan 8.230 nan 0.000 0.435 416 V N 0.141 120.013 119.914 -0.070 0.000 2.332 416 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 416 V C 2.803 178.856 176.094 -0.069 0.000 1.055 416 V CA 1.732 63.952 62.300 -0.134 0.000 1.038 416 V CB -1.442 30.134 31.823 -0.412 0.000 0.651 416 V HN 0.615 nan 8.190 nan 0.000 0.450 417 A N 0.213 122.965 122.820 -0.114 0.000 1.877 417 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 417 A C 2.233 179.790 177.584 -0.046 0.000 1.186 417 A CA 2.378 54.359 52.037 -0.095 0.000 0.620 417 A CB -0.539 18.392 19.000 -0.113 0.000 0.822 417 A HN 0.502 nan 8.150 nan 0.000 0.443 418 K N 0.197 120.584 120.400 -0.022 0.000 2.009 418 K HA -0.066 4.254 4.320 -0.000 0.000 0.210 418 K C 1.743 178.354 176.600 0.017 0.000 1.049 418 K CA 1.795 58.081 56.287 -0.001 0.000 0.929 418 K CB -0.717 31.790 32.500 0.010 0.000 0.714 418 K HN 0.438 nan 8.250 nan 0.000 0.440 419 L N 0.925 122.180 121.223 0.054 0.000 2.083 419 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 419 L C 2.551 179.447 176.870 0.042 0.000 1.083 419 L CA 1.614 56.495 54.840 0.067 0.000 0.752 419 L CB -0.759 41.381 42.059 0.135 0.000 0.899 419 L HN 0.417 nan 8.230 nan 0.000 0.433 420 S N -0.275 115.441 115.700 0.027 0.000 2.399 420 S HA -0.254 4.216 4.470 -0.000 0.000 0.231 420 S C 2.034 176.624 174.600 -0.017 0.000 1.022 420 S CA 1.331 59.533 58.200 0.003 0.000 0.983 420 S CB -0.229 62.959 63.200 -0.021 0.000 0.803 420 S HN 0.392 nan 8.310 nan 0.000 0.480 421 K N 0.867 121.252 120.400 -0.025 0.000 2.031 421 K HA 0.121 4.441 4.320 -0.000 0.000 0.205 421 K C 2.191 178.781 176.600 -0.016 0.000 1.049 421 K CA 1.182 57.450 56.287 -0.032 0.000 0.939 421 K CB -0.333 32.145 32.500 -0.038 0.000 0.717 421 K HN 0.428 nan 8.250 nan 0.000 0.438 422 L N 0.888 122.108 121.223 -0.004 0.000 2.131 422 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 422 L C 2.006 178.878 176.870 0.002 0.000 1.092 422 L CA 1.289 56.130 54.840 0.001 0.000 0.759 422 L CB -0.183 41.881 42.059 0.008 0.000 0.903 422 L HN 0.122 nan 8.230 nan 0.000 0.435 423 K N -0.131 120.272 120.400 0.006 0.000 2.487 423 K HA 0.100 4.420 4.320 -0.000 0.000 0.192 423 K C 1.228 177.828 176.600 -0.000 0.000 1.027 423 K CA 0.565 56.856 56.287 0.007 0.000 1.054 423 K CB 0.205 32.714 32.500 0.016 0.000 0.824 423 K HN 0.389 nan 8.250 nan 0.000 0.510 424 G N 1.823 110.617 108.800 -0.008 0.000 2.148 424 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 424 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 424 G C 0.195 175.085 174.900 -0.016 0.000 0.981 424 G CA -0.008 45.084 45.100 -0.013 0.000 0.670 424 G HN 0.155 nan 8.290 nan 0.000 0.528 425 L N 0.052 121.265 121.223 -0.018 0.000 2.474 425 L HA 0.258 4.598 4.340 -0.000 0.000 0.259 425 L C 1.147 177.993 176.870 -0.040 0.000 1.232 425 L CA -0.521 54.306 54.840 -0.021 0.000 0.821 425 L CB 0.168 42.219 42.059 -0.013 0.000 1.108 425 L HN 0.150 nan 8.230 nan 0.000 0.495 426 D N 0.589 120.968 120.400 -0.035 0.000 2.658 426 D HA -0.077 4.563 4.640 -0.000 0.000 0.230 426 D C 0.763 177.004 176.300 -0.098 0.000 1.118 426 D CA 0.617 54.589 54.000 -0.047 0.000 0.848 426 D CB 1.246 42.029 40.800 -0.029 0.000 1.160 426 D HN 0.621 nan 8.370 nan 0.000 0.497 427 A N 3.470 126.211 122.820 -0.133 0.000 2.070 427 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 427 A C 2.317 179.597 177.584 -0.507 0.000 1.159 427 A CA 1.183 53.043 52.037 -0.295 0.000 0.656 427 A CB -0.119 18.724 19.000 -0.262 0.000 0.800 427 A HN 0.572 nan 8.150 nan 0.000 0.453 428 S N -0.205 115.361 115.700 -0.224 0.000 2.419 428 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 428 S C 1.686 176.244 174.600 -0.071 0.000 1.016 428 S CA 1.315 59.471 58.200 -0.072 0.000 0.974 428 S CB -0.471 62.745 63.200 0.027 0.000 0.786 428 S HN 0.610 nan 8.310 nan 0.000 0.492 429 I N 1.224 121.732 120.570 -0.104 0.000 2.142 429 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 429 I C 2.647 178.703 176.117 -0.103 0.000 1.078 429 I CA 1.471 62.723 61.300 -0.080 0.000 1.343 429 I CB -0.375 37.583 38.000 -0.069 0.000 1.046 429 I HN 0.332 nan 8.210 nan 0.000 0.405 430 E N 0.692 120.803 120.200 -0.150 0.000 2.058 430 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 430 E C 2.135 178.692 176.600 -0.071 0.000 0.997 430 E CA 1.761 58.078 56.400 -0.139 0.000 0.801 430 E CB -0.167 29.437 29.700 -0.160 0.000 0.746 430 E HN 0.580 nan 8.360 nan 0.000 0.450 431 H N -0.108 118.919 119.070 -0.072 0.000 2.319 431 H HA -0.128 4.428 4.556 0.000 0.000 0.297 431 H C 1.779 177.065 175.328 -0.070 0.000 1.097 431 H CA 1.099 57.088 56.048 -0.100 0.000 1.285 431 H CB 0.064 29.804 29.762 -0.036 0.000 1.368 431 H HN 0.258 nan 8.280 nan 0.000 0.495 432 D N 0.471 120.947 120.400 0.127 0.000 2.144 432 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 432 D C 2.221 178.531 176.300 0.017 0.000 0.978 432 D CA 0.712 54.780 54.000 0.115 0.000 0.833 432 D CB -0.102 40.730 40.800 0.053 0.000 0.961 432 D HN 0.402 nan 8.370 nan 0.000 0.470 433 I N 0.493 121.022 120.570 -0.067 0.000 2.179 433 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 433 I C 2.429 178.474 176.117 -0.119 0.000 1.088 433 I CA 0.631 61.841 61.300 -0.150 0.000 1.357 433 I CB -0.108 37.761 38.000 -0.218 0.000 1.051 433 I HN -0.124 nan 8.210 nan 0.000 0.409 434 V N 0.310 120.161 119.914 -0.105 0.000 2.427 434 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 434 V C 2.488 178.511 176.094 -0.118 0.000 1.051 434 V CA 1.718 63.945 62.300 -0.123 0.000 1.048 434 V CB -0.910 30.835 31.823 -0.130 0.000 0.666 434 V HN 0.423 nan 8.190 nan 0.000 0.456 435 H N 0.352 119.398 119.070 -0.041 0.000 2.387 435 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 435 H C 2.357 177.647 175.328 -0.063 0.000 1.090 435 H CA 1.642 57.661 56.048 -0.048 0.000 1.332 435 H CB -0.675 29.063 29.762 -0.041 0.000 1.386 435 H HN 0.480 nan 8.280 nan 0.000 0.516 436 G N 0.896 109.721 108.800 0.042 0.000 2.453 436 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 436 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 436 G C 1.961 176.835 174.900 -0.044 0.000 1.201 436 G CA 0.689 45.772 45.100 -0.028 0.000 0.784 436 G HN 0.287 nan 8.290 nan 0.000 0.545 437 L N -0.242 120.940 121.223 -0.069 0.000 2.079 437 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 437 L C 3.013 179.858 176.870 -0.042 0.000 1.081 437 L CA 1.343 56.141 54.840 -0.069 0.000 0.752 437 L CB -0.421 41.582 42.059 -0.092 0.000 0.896 437 L HN 0.287 nan 8.230 nan 0.000 0.433 438 Q N -0.613 119.168 119.800 -0.032 0.000 2.291 438 Q HA -0.108 4.232 4.340 -0.000 0.000 0.205 438 Q C 2.067 178.064 176.000 -0.005 0.000 0.970 438 Q CA 1.338 57.130 55.803 -0.019 0.000 0.876 438 Q CB 0.054 28.783 28.738 -0.015 0.000 0.935 438 Q HN 0.531 nan 8.270 nan 0.000 0.455 439 A N -0.516 122.302 122.820 -0.004 0.000 2.147 439 A HA 0.022 4.342 4.320 -0.000 0.000 0.211 439 A C 1.699 179.279 177.584 -0.007 0.000 1.160 439 A CA 0.026 52.059 52.037 -0.007 0.000 0.781 439 A CB -0.148 18.841 19.000 -0.019 0.000 0.842 439 A HN 0.396 nan 8.150 nan 0.000 0.475 440 L N 0.849 122.068 121.223 -0.007 0.000 2.012 440 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 440 L C -0.878 176.013 176.870 0.034 0.000 1.073 440 L CA 2.425 57.272 54.840 0.010 0.000 0.748 440 L CB -1.093 40.967 42.059 0.002 0.000 0.891 440 L HN 0.133 nan 8.230 nan 0.000 0.431 441 P HA -0.104 nan 4.420 nan 0.000 0.215 441 P C 1.783 179.105 177.300 0.038 0.000 1.153 441 P CA 1.902 65.017 63.100 0.025 0.000 0.853 441 P CB -0.040 31.667 31.700 0.011 0.000 0.788 442 S N -0.573 115.147 115.700 0.034 0.000 2.368 442 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 442 S C 1.919 176.563 174.600 0.072 0.000 1.030 442 S CA 1.025 59.250 58.200 0.042 0.000 0.999 442 S CB -0.671 62.546 63.200 0.028 0.000 0.844 442 S HN 0.107 nan 8.310 nan 0.000 0.459 443 R N 1.038 121.583 120.500 0.076 0.000 2.091 443 R HA 0.031 4.371 4.340 -0.000 0.000 0.238 443 R C 2.176 178.671 176.300 0.324 0.000 1.136 443 R CA 1.069 57.261 56.100 0.154 0.000 0.959 443 R CB -0.936 29.353 30.300 -0.018 0.000 0.856 443 R HN 0.454 nan 8.270 nan 0.000 0.437 444 I N 0.690 121.382 120.570 0.204 0.000 2.315 444 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 444 I C 2.431 178.568 176.117 0.034 0.000 1.117 444 I CA 1.043 62.412 61.300 0.115 0.000 1.404 444 I CB -0.208 37.831 38.000 0.066 0.000 1.071 444 I HN 0.074 nan 8.210 nan 0.000 0.419 445 E N 1.014 121.244 120.200 0.049 0.000 2.110 445 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 445 E C 2.112 178.737 176.600 0.043 0.000 0.988 445 E CA 1.496 57.918 56.400 0.036 0.000 0.804 445 E CB -0.132 29.596 29.700 0.047 0.000 0.745 445 E HN 0.405 nan 8.360 nan 0.000 0.458 446 Q N -1.051 118.796 119.800 0.078 0.000 2.123 446 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 446 Q C 1.975 178.002 176.000 0.046 0.000 0.966 446 Q CA 1.405 57.260 55.803 0.088 0.000 0.845 446 Q CB -0.054 28.776 28.738 0.152 0.000 0.907 446 Q HN 0.307 nan 8.270 nan 0.000 0.439 447 M N 0.018 119.613 119.600 -0.009 0.000 2.254 447 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 447 M C 1.475 177.666 176.300 -0.181 0.000 1.066 447 M CA 1.334 56.498 55.300 -0.226 0.000 1.123 447 M CB -0.000 32.269 32.600 -0.551 0.000 1.388 447 M HN 0.196 nan 8.290 nan 0.000 0.425 448 L N -0.723 120.414 121.223 -0.143 0.000 2.275 448 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 448 L C 1.773 178.641 176.870 -0.004 0.000 1.119 448 L CA 0.832 55.577 54.840 -0.159 0.000 0.790 448 L CB -0.625 41.303 42.059 -0.219 0.000 0.919 448 L HN 0.269 nan 8.230 nan 0.000 0.443 449 S N -0.902 114.808 115.700 0.017 0.000 2.561 449 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 449 S C 1.582 176.201 174.600 0.031 0.000 0.977 449 S CA 0.448 58.677 58.200 0.048 0.000 0.926 449 S CB -0.035 63.193 63.200 0.045 0.000 0.769 449 S HN 0.423 nan 8.310 nan 0.000 0.533 450 Q N 1.372 121.172 119.800 0.000 0.000 2.403 450 Q HA -0.030 4.310 4.340 -0.000 0.000 0.203 450 Q C 1.052 177.068 176.000 0.027 0.000 0.932 450 Q CA 0.460 56.266 55.803 0.005 0.000 0.945 450 Q CB -0.120 28.603 28.738 -0.026 0.000 1.045 450 Q HN 0.701 nan 8.270 nan 0.000 0.511 451 D N 0.855 121.287 120.400 0.053 0.000 2.149 451 D HA -0.209 4.431 4.640 -0.000 0.000 0.198 451 D C 1.456 177.778 176.300 0.037 0.000 0.990 451 D CA 1.206 55.267 54.000 0.101 0.000 0.839 451 D CB -0.074 40.878 40.800 0.254 0.000 0.948 451 D HN 0.024 nan 8.370 nan 0.000 0.460 452 K N 0.125 120.541 120.400 0.026 0.000 2.097 452 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 452 K C 2.345 178.923 176.600 -0.038 0.000 1.050 452 K CA 0.952 57.226 56.287 -0.022 0.000 0.938 452 K CB -0.192 32.308 32.500 -0.000 0.000 0.718 452 K HN 0.240 nan 8.250 nan 0.000 0.442 453 R N 1.303 121.801 120.500 -0.005 0.000 2.092 453 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 453 R C 2.207 178.512 176.300 0.008 0.000 1.119 453 R CA 0.957 57.059 56.100 0.003 0.000 0.970 453 R CB -0.227 30.087 30.300 0.022 0.000 0.864 453 R HN 0.065 nan 8.270 nan 0.000 0.440 454 I N 0.756 121.344 120.570 0.030 0.000 2.315 454 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 454 I C 2.509 178.589 176.117 -0.062 0.000 1.117 454 I CA 1.477 62.817 61.300 0.066 0.000 1.404 454 I CB -0.324 37.757 38.000 0.134 0.000 1.071 454 I HN 0.389 nan 8.210 nan 0.000 0.419 455 E N 1.415 121.463 120.200 -0.254 0.000 2.077 455 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 455 E C 2.309 178.799 176.600 -0.183 0.000 0.989 455 E CA 1.310 57.413 56.400 -0.494 0.000 0.800 455 E CB -0.041 29.275 29.700 -0.639 0.000 0.746 455 E HN 0.476 nan 8.360 nan 0.000 0.452 456 A N 0.819 123.574 122.820 -0.109 0.000 1.908 456 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 456 A C 2.083 179.652 177.584 -0.026 0.000 1.181 456 A CA 1.130 53.135 52.037 -0.054 0.000 0.627 456 A CB -0.552 18.425 19.000 -0.038 0.000 0.818 456 A HN 0.325 nan 8.150 nan 0.000 0.445 457 L N -0.515 120.705 121.223 -0.004 0.000 2.141 457 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 457 L C 2.879 179.801 176.870 0.087 0.000 1.094 457 L CA 1.666 56.525 54.840 0.033 0.000 0.763 457 L CB -1.040 41.061 42.059 0.070 0.000 0.908 457 L HN 0.407 nan 8.230 nan 0.000 0.437 458 A N -0.889 121.979 122.820 0.079 0.000 2.019 458 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 458 A C 2.104 179.788 177.584 0.168 0.000 1.164 458 A CA 1.393 53.515 52.037 0.142 0.000 0.644 458 A CB -0.453 18.583 19.000 0.060 0.000 0.805 458 A HN 0.553 nan 8.150 nan 0.000 0.449 459 E N 0.147 120.384 120.200 0.061 0.000 2.209 459 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 459 E C 0.964 177.559 176.600 -0.009 0.000 0.993 459 E CA 1.076 57.488 56.400 0.021 0.000 0.819 459 E CB -0.259 29.436 29.700 -0.009 0.000 0.745 459 E HN 0.538 nan 8.360 nan 0.000 0.477 460 D N 0.067 120.437 120.400 -0.050 0.000 2.263 460 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 460 D C 1.008 177.083 176.300 -0.374 0.000 0.971 460 D CA 0.829 54.700 54.000 -0.214 0.000 0.867 460 D CB -0.145 40.462 40.800 -0.323 0.000 0.929 460 D HN 0.202 nan 8.370 nan 0.000 0.492 461 F N 0.099 119.970 119.950 -0.132 0.000 2.797 461 F HA 0.081 4.608 4.527 -0.000 0.000 0.302 461 F C 2.359 178.085 175.800 -0.124 0.000 1.130 461 F CA -0.096 57.824 58.000 -0.133 0.000 1.387 461 F CB -0.036 38.873 39.000 -0.151 0.000 1.107 461 F HN -0.166 nan 8.300 nan 0.000 0.577 462 S N 0.844 116.546 115.700 0.003 0.000 2.374 462 S HA -0.221 4.249 4.470 -0.000 0.000 0.227 462 S C 1.784 176.337 174.600 -0.078 0.000 1.037 462 S CA 2.111 60.294 58.200 -0.028 0.000 1.024 462 S CB -0.322 62.864 63.200 -0.024 0.000 0.861 462 S HN 0.533 nan 8.310 nan 0.000 0.456 463 D N -0.251 120.089 120.400 -0.100 0.000 2.342 463 D HA 0.131 4.771 4.640 -0.000 0.000 0.221 463 D C -0.057 176.087 176.300 -0.260 0.000 1.101 463 D CA -0.092 53.836 54.000 -0.120 0.000 0.837 463 D CB -0.109 40.671 40.800 -0.034 0.000 0.938 463 D HN 0.165 nan 8.370 nan 0.000 0.508 464 K N 0.350 120.585 120.400 -0.274 0.000 2.143 464 K HA 0.262 4.582 4.320 -0.000 0.000 0.272 464 K C -0.064 176.282 176.600 -0.423 0.000 1.001 464 K CA -0.505 55.656 56.287 -0.210 0.000 0.915 464 K CB 1.295 33.774 32.500 -0.035 0.000 1.047 464 K HN 0.177 nan 8.250 nan 0.000 0.458 465 H N -0.476 118.652 119.070 0.097 0.000 2.986 465 H HA 0.211 4.767 4.556 -0.000 0.000 0.267 465 H C -0.166 175.050 175.328 -0.186 0.000 1.072 465 H CA -0.028 55.998 56.048 -0.038 0.000 1.202 465 H CB 0.579 30.279 29.762 -0.105 0.000 1.535 465 H HN 0.423 nan 8.280 nan 0.000 0.522 466 H N -0.320 118.883 119.070 0.222 0.000 2.946 466 H HA 0.772 5.328 4.556 -0.000 0.000 0.365 466 H C -0.893 174.560 175.328 0.208 0.000 1.197 466 H CA -0.837 55.331 56.048 0.200 0.000 1.131 466 H CB 2.353 32.195 29.762 0.134 0.000 1.849 466 H HN 0.194 nan 8.280 nan 0.000 0.555 467 A N 1.492 124.528 122.820 0.360 0.000 2.604 467 A HA 0.512 4.832 4.320 -0.000 0.000 0.295 467 A C -2.021 175.763 177.584 0.334 0.000 1.067 467 A CA -0.539 51.695 52.037 0.329 0.000 0.683 467 A CB 1.705 20.924 19.000 0.364 0.000 1.281 467 A HN 0.261 nan 8.150 nan 0.000 0.407 468 L N 1.041 122.427 121.223 0.271 0.000 2.346 468 L HA 0.784 5.124 4.340 -0.000 0.000 0.274 468 L C -1.125 175.927 176.870 0.305 0.000 1.007 468 L CA -0.455 54.590 54.840 0.341 0.000 0.818 468 L CB 1.133 43.368 42.059 0.293 0.000 1.284 468 L HN 0.606 nan 8.230 nan 0.000 0.424 469 F N 3.522 123.585 119.950 0.188 0.000 2.495 469 F HA 0.667 5.193 4.527 -0.000 0.000 0.327 469 F C -0.168 175.757 175.800 0.209 0.000 1.103 469 F CA -0.631 57.474 58.000 0.174 0.000 0.949 469 F CB 1.454 40.520 39.000 0.111 0.000 1.142 469 F HN 0.085 nan 8.300 nan 0.000 0.457 470 L N 2.332 123.763 121.223 0.346 0.000 2.386 470 L HA 0.929 5.269 4.340 -0.000 0.000 0.271 470 L C -0.078 176.947 176.870 0.259 0.000 0.993 470 L CA -0.735 54.280 54.840 0.292 0.000 0.819 470 L CB 2.117 44.299 42.059 0.204 0.000 1.294 470 L HN 0.769 nan 8.230 nan 0.000 0.414 471 G N 1.831 110.790 108.800 0.266 0.000 2.704 471 G HA2 0.680 4.640 3.960 -0.000 0.000 0.293 471 G HA3 0.680 4.640 3.960 -0.000 0.000 0.293 471 G C -1.652 173.360 174.900 0.186 0.000 1.421 471 G CA -0.653 44.570 45.100 0.204 0.000 0.870 471 G HN 0.450 nan 8.290 nan 0.000 0.492 472 R N -0.630 119.933 120.500 0.105 0.000 2.892 472 R HA 0.743 5.083 4.340 -0.000 0.000 0.265 472 R C 0.804 177.094 176.300 -0.017 0.000 1.025 472 R CA 0.224 56.365 56.100 0.068 0.000 0.982 472 R CB 1.900 32.230 30.300 0.050 0.000 1.185 472 R HN 1.499 nan 8.270 nan 0.000 0.484 473 G N 1.606 110.386 108.800 -0.033 0.000 2.574 473 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.286 473 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.286 473 G C 0.319 174.663 174.900 -0.925 0.000 1.212 473 G CA 0.718 45.672 45.100 -0.243 0.000 0.979 473 G HN 0.832 nan 8.290 nan 0.000 0.557 474 D N 0.077 119.881 120.400 -0.993 0.000 2.371 474 D HA 0.025 4.665 4.640 -0.000 0.000 0.221 474 D C 1.931 177.947 176.300 -0.473 0.000 0.986 474 D CA 1.693 55.089 54.000 -1.008 0.000 0.899 474 D CB -0.061 40.363 40.800 -0.627 0.000 0.902 474 D HN 0.436 nan 8.370 nan 0.000 0.530 475 Q N -0.859 118.775 119.800 -0.277 0.000 2.402 475 Q HA -0.036 4.304 4.340 -0.000 0.000 0.206 475 Q C 1.483 177.468 176.000 -0.025 0.000 0.919 475 Q CA 0.210 55.945 55.803 -0.114 0.000 0.923 475 Q CB -0.415 28.276 28.738 -0.078 0.000 1.048 475 Q HN 0.508 nan 8.270 nan 0.000 0.515 476 Y N 2.869 123.083 120.300 -0.142 0.000 2.128 476 Y HA -0.120 4.430 4.550 -0.000 0.000 0.284 476 Y C -0.928 174.963 175.900 -0.016 0.000 1.154 476 Y CA 1.421 59.500 58.100 -0.034 0.000 1.149 476 Y CB -1.226 37.243 38.460 0.015 0.000 0.976 476 Y HN 0.073 nan 8.280 nan 0.000 0.505 477 P HA -0.118 nan 4.420 nan 0.000 0.230 477 P C 1.534 178.706 177.300 -0.214 0.000 1.158 477 P CA 1.132 63.965 63.100 -0.445 0.000 0.769 477 P CB -0.027 31.498 31.700 -0.293 0.000 0.807 478 I N -0.112 120.389 120.570 -0.114 0.000 2.286 478 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 478 I C 2.243 178.333 176.117 -0.044 0.000 1.104 478 I CA 1.111 62.396 61.300 -0.025 0.000 1.397 478 I CB -1.913 36.116 38.000 0.049 0.000 1.072 478 I HN -0.066 nan 8.210 nan 0.000 0.417 479 A N 1.378 124.208 122.820 0.016 0.000 1.892 479 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 479 A C 2.428 179.945 177.584 -0.112 0.000 1.188 479 A CA 1.627 53.712 52.037 0.080 0.000 0.631 479 A CB -1.001 18.142 19.000 0.238 0.000 0.822 479 A HN 0.401 nan 8.150 nan 0.000 0.447 480 L N -0.907 120.198 121.223 -0.196 0.000 2.013 480 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 480 L C 2.706 179.402 176.870 -0.290 0.000 1.073 480 L CA 1.934 56.630 54.840 -0.239 0.000 0.753 480 L CB -0.538 41.359 42.059 -0.270 0.000 0.890 480 L HN 0.519 nan 8.230 nan 0.000 0.432 481 E N 0.513 120.527 120.200 -0.311 0.000 2.106 481 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 481 E C 2.096 178.430 176.600 -0.443 0.000 0.984 481 E CA 1.464 57.609 56.400 -0.425 0.000 0.806 481 E CB -0.419 28.882 29.700 -0.665 0.000 0.750 481 E HN 0.333 nan 8.360 nan 0.000 0.458 482 G N 0.069 108.607 108.800 -0.437 0.000 2.408 482 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 482 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 482 G C 1.689 175.945 174.900 -1.074 0.000 1.150 482 G CA 0.875 45.654 45.100 -0.536 0.000 0.776 482 G HN 0.440 nan 8.290 nan 0.000 0.542 483 A N 0.484 122.525 122.820 -1.298 0.000 1.898 483 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 483 A C 2.319 179.606 177.584 -0.495 0.000 1.181 483 A CA 1.539 52.897 52.037 -1.132 0.000 0.620 483 A CB -0.442 18.207 19.000 -0.585 0.000 0.819 483 A HN 0.419 nan 8.150 nan 0.000 0.442 484 L N -0.446 120.557 121.223 -0.367 0.000 2.012 484 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 484 L C 2.141 178.891 176.870 -0.200 0.000 1.073 484 L CA 2.172 56.882 54.840 -0.217 0.000 0.748 484 L CB -0.494 41.456 42.059 -0.182 0.000 0.891 484 L HN 0.110 nan 8.230 nan 0.000 0.431 485 K N -0.443 119.803 120.400 -0.256 0.000 2.009 485 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 485 K C 2.163 178.668 176.600 -0.158 0.000 1.049 485 K CA 1.819 57.986 56.287 -0.200 0.000 0.929 485 K CB -1.103 31.262 32.500 -0.225 0.000 0.714 485 K HN 0.319 nan 8.250 nan 0.000 0.440 486 L N 2.135 123.246 121.223 -0.186 0.000 2.017 486 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 486 L C 2.353 179.187 176.870 -0.060 0.000 1.073 486 L CA 1.961 56.736 54.840 -0.108 0.000 0.745 486 L CB -0.527 41.523 42.059 -0.014 0.000 0.894 486 L HN 0.258 nan 8.230 nan 0.000 0.432 487 K N -0.544 119.833 120.400 -0.039 0.000 2.103 487 K HA -0.234 4.086 4.320 -0.000 0.000 0.204 487 K C 1.982 178.631 176.600 0.081 0.000 1.052 487 K CA 1.657 57.969 56.287 0.042 0.000 0.945 487 K CB -0.573 31.956 32.500 0.048 0.000 0.722 487 K HN 0.532 nan 8.250 nan 0.000 0.443 488 E N 1.577 121.793 120.200 0.028 0.000 2.077 488 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 488 E C 2.091 178.766 176.600 0.124 0.000 0.989 488 E CA 1.806 58.251 56.400 0.075 0.000 0.800 488 E CB -0.134 29.569 29.700 0.005 0.000 0.746 488 E HN 0.659 nan 8.360 nan 0.000 0.452 489 I N -2.084 118.463 120.570 -0.038 0.000 4.035 489 I HA 0.183 4.353 4.170 -0.000 0.000 0.321 489 I C 1.997 177.796 176.117 -0.530 0.000 1.289 489 I CA 0.478 61.669 61.300 -0.181 0.000 1.236 489 I CB 0.455 38.359 38.000 -0.161 0.000 1.076 489 I HN 0.020 nan 8.210 nan 0.000 0.418 490 S N -0.543 114.906 115.700 -0.420 0.000 2.502 490 S HA 0.053 4.523 4.470 -0.000 0.000 0.215 490 S C 0.962 175.256 174.600 -0.510 0.000 1.009 490 S CA 0.076 57.975 58.200 -0.503 0.000 0.908 490 S CB -0.367 62.683 63.200 -0.250 0.000 0.801 490 S HN 0.527 nan 8.310 nan 0.000 0.505 491 Y N -0.252 120.036 120.300 -0.019 0.000 4.881 491 Y HA -0.197 4.353 4.550 0.000 0.000 0.241 491 Y C 0.385 176.302 175.900 0.027 0.000 0.985 491 Y CA -0.491 57.606 58.100 -0.004 0.000 1.976 491 Y CB -2.949 35.510 38.460 -0.002 0.000 1.528 491 Y HN 0.384 nan 8.280 nan 0.000 0.581 492 I N 1.843 122.489 120.570 0.128 0.000 2.692 492 I HA -0.040 4.130 4.170 -0.000 0.000 0.284 492 I C 1.335 177.573 176.117 0.202 0.000 1.159 492 I CA 0.087 61.472 61.300 0.143 0.000 1.423 492 I CB 0.296 38.371 38.000 0.125 0.000 1.380 492 I HN 0.134 nan 8.210 nan 0.000 0.580 493 H N 6.540 125.649 119.070 0.065 0.000 3.118 493 H HA 0.399 4.955 4.556 -0.000 0.000 0.266 493 H C -0.380 175.052 175.328 0.174 0.000 1.465 493 H CA -0.817 55.285 56.048 0.091 0.000 1.460 493 H CB -0.109 29.681 29.762 0.046 0.000 1.661 493 H HN 0.589 nan 8.280 nan 0.000 0.516 494 A N 4.339 127.385 122.820 0.375 0.000 2.331 494 A HA 0.450 4.770 4.320 -0.000 0.000 0.283 494 A C -0.051 177.675 177.584 0.237 0.000 1.142 494 A CA -0.586 51.640 52.037 0.314 0.000 0.812 494 A CB 0.447 19.589 19.000 0.237 0.000 1.074 494 A HN 0.801 nan 8.150 nan 0.000 0.497 495 E N 1.450 121.785 120.200 0.224 0.000 2.292 495 E HA 0.596 4.946 4.350 -0.000 0.000 0.272 495 E C -0.793 175.830 176.600 0.038 0.000 0.881 495 E CA -0.726 55.714 56.400 0.066 0.000 0.754 495 E CB 1.875 31.582 29.700 0.012 0.000 1.201 495 E HN 0.875 nan 8.360 nan 0.000 0.425 496 A N 3.456 126.216 122.820 -0.100 0.000 2.303 496 A HA 0.656 4.976 4.320 -0.000 0.000 0.317 496 A C -1.606 175.883 177.584 -0.159 0.000 1.149 496 A CA -0.254 51.792 52.037 0.016 0.000 0.822 496 A CB 0.405 19.409 19.000 0.008 0.000 1.131 496 A HN 0.572 nan 8.150 nan 0.000 0.493 497 Y N -0.089 120.391 120.300 0.300 0.000 2.492 497 Y HA 0.543 5.093 4.550 -0.000 0.000 0.346 497 Y C 0.541 176.572 175.900 0.218 0.000 0.997 497 Y CA -0.366 57.881 58.100 0.245 0.000 1.025 497 Y CB 2.046 40.594 38.460 0.147 0.000 1.263 497 Y HN 0.902 nan 8.280 nan 0.000 0.454 498 A N 1.333 124.175 122.820 0.036 0.000 2.488 498 A HA 0.473 4.793 4.320 -0.000 0.000 0.249 498 A C 1.225 178.829 177.584 0.033 0.000 1.083 498 A CA 0.317 52.189 52.037 -0.275 0.000 0.768 498 A CB 0.024 18.597 19.000 -0.711 0.000 1.017 498 A HN 1.099 nan 8.150 nan 0.000 0.496 499 A N 2.529 125.395 122.820 0.077 0.000 2.131 499 A HA 0.093 4.413 4.320 -0.000 0.000 0.220 499 A C 1.904 179.519 177.584 0.052 0.000 1.158 499 A CA 1.864 53.956 52.037 0.092 0.000 0.665 499 A CB -0.574 18.482 19.000 0.093 0.000 0.795 499 A HN 1.363 nan 8.150 nan 0.000 0.460 500 G N -0.011 108.812 108.800 0.039 0.000 2.880 500 G HA2 0.061 4.021 3.960 -0.000 0.000 0.209 500 G HA3 0.061 4.021 3.960 -0.000 0.000 0.209 500 G C 1.088 176.048 174.900 0.100 0.000 1.157 500 G CA 0.649 45.781 45.100 0.053 0.000 0.779 500 G HN 0.816 nan 8.290 nan 0.000 0.539 501 E N 0.007 120.262 120.200 0.092 0.000 2.474 501 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 501 E C 1.653 178.287 176.600 0.056 0.000 1.041 501 E CA -0.304 56.196 56.400 0.167 0.000 0.874 501 E CB -0.036 29.754 29.700 0.150 0.000 0.914 501 E HN 0.168 nan 8.360 nan 0.000 0.498 502 L N 1.894 123.071 121.223 -0.078 0.000 2.056 502 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 502 L C 2.068 178.838 176.870 -0.167 0.000 1.078 502 L CA 1.661 56.386 54.840 -0.191 0.000 0.749 502 L CB -0.697 41.263 42.059 -0.165 0.000 0.901 502 L HN 0.073 nan 8.230 nan 0.000 0.433 503 K N -1.013 119.262 120.400 -0.208 0.000 2.515 503 K HA -0.079 4.241 4.320 -0.000 0.000 0.196 503 K C 1.130 177.523 176.600 -0.345 0.000 1.038 503 K CA 0.402 56.527 56.287 -0.270 0.000 0.967 503 K CB -0.093 32.232 32.500 -0.292 0.000 0.780 503 K HN 0.464 nan 8.250 nan 0.000 0.483 504 H N -1.115 117.927 119.070 -0.045 0.000 2.536 504 H HA 0.121 4.677 4.556 -0.000 0.000 0.276 504 H C 1.348 176.658 175.328 -0.030 0.000 1.019 504 H CA 0.953 56.985 56.048 -0.027 0.000 1.159 504 H CB 1.001 30.755 29.762 -0.013 0.000 1.373 504 H HN 0.490 nan 8.280 nan 0.000 0.584 505 G N 0.629 109.430 108.800 0.002 0.000 3.876 505 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.203 505 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.203 505 G C -1.355 173.510 174.900 -0.058 0.000 1.162 505 G CA -0.349 44.747 45.100 -0.006 0.000 0.903 505 G HN 0.181 nan 8.290 nan 0.000 0.390 506 P HA 0.103 nan 4.420 nan 0.000 0.222 506 P C 1.925 179.100 177.300 -0.209 0.000 1.147 506 P CA 0.524 63.480 63.100 -0.239 0.000 0.790 506 P CB 0.032 31.311 31.700 -0.702 0.000 0.780 507 L N -0.153 120.965 121.223 -0.176 0.000 2.261 507 L HA -0.146 4.194 4.340 -0.000 0.000 0.216 507 L C 2.132 178.954 176.870 -0.080 0.000 1.114 507 L CA 1.465 56.232 54.840 -0.121 0.000 0.777 507 L CB -1.311 40.684 42.059 -0.106 0.000 0.910 507 L HN -0.088 nan 8.230 nan 0.000 0.440 508 A N -0.863 121.917 122.820 -0.066 0.000 2.093 508 A HA -0.221 4.099 4.320 -0.000 0.000 0.222 508 A C 2.214 179.772 177.584 -0.043 0.000 1.162 508 A CA 1.896 53.907 52.037 -0.044 0.000 0.655 508 A CB -0.817 18.166 19.000 -0.028 0.000 0.805 508 A HN 0.506 nan 8.150 nan 0.000 0.461 509 L N -0.181 121.012 121.223 -0.051 0.000 2.395 509 L HA 0.007 4.347 4.340 -0.000 0.000 0.218 509 L C 0.006 176.842 176.870 -0.057 0.000 1.130 509 L CA -0.207 54.601 54.840 -0.054 0.000 0.826 509 L CB -0.270 41.767 42.059 -0.037 0.000 0.941 509 L HN 0.237 nan 8.230 nan 0.000 0.451 510 I N 1.662 122.205 120.570 -0.045 0.000 2.517 510 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 510 I C 0.092 176.188 176.117 -0.034 0.000 1.106 510 I CA 0.256 61.536 61.300 -0.033 0.000 1.402 510 I CB -0.050 37.932 38.000 -0.031 0.000 1.399 510 I HN 0.153 nan 8.210 nan 0.000 0.535 511 D N 4.696 125.078 120.400 -0.030 0.000 2.781 511 D HA 0.452 5.092 4.640 -0.000 0.000 0.295 511 D C 0.538 176.829 176.300 -0.015 0.000 1.143 511 D CA -0.578 53.407 54.000 -0.024 0.000 1.076 511 D CB 0.547 41.332 40.800 -0.025 0.000 1.444 511 D HN 0.269 nan 8.370 nan 0.000 0.567 512 A N -0.677 122.136 122.820 -0.012 0.000 2.125 512 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 512 A C 1.037 178.621 177.584 0.001 0.000 1.156 512 A CA 1.421 53.453 52.037 -0.009 0.000 0.671 512 A CB -0.578 18.417 19.000 -0.008 0.000 0.794 512 A HN 0.484 nan 8.150 nan 0.000 0.459 513 D N -1.735 118.671 120.400 0.010 0.000 2.389 513 D HA 0.133 4.773 4.640 -0.000 0.000 0.206 513 D C 0.416 176.742 176.300 0.043 0.000 1.055 513 D CA 0.131 54.149 54.000 0.029 0.000 0.856 513 D CB 0.085 40.916 40.800 0.051 0.000 0.957 513 D HN 0.453 nan 8.370 nan 0.000 0.509 514 M N 2.814 122.433 119.600 0.033 0.000 2.105 514 M HA 0.267 4.747 4.480 -0.000 0.000 0.350 514 M C -2.664 173.687 176.300 0.086 0.000 1.308 514 M CA -1.871 53.465 55.300 0.060 0.000 1.108 514 M CB 1.306 33.922 32.600 0.027 0.000 1.622 514 M HN -0.320 nan 8.290 nan 0.000 0.468 515 P HA 0.282 nan 4.420 nan 0.000 0.284 515 P C -1.389 176.039 177.300 0.213 0.000 1.253 515 P CA -0.381 62.846 63.100 0.213 0.000 0.800 515 P CB 1.006 32.811 31.700 0.175 0.000 0.961 516 V N 4.832 124.878 119.914 0.221 0.000 2.409 516 V HA 0.273 4.392 4.120 -0.000 0.000 0.290 516 V C 0.124 176.274 176.094 0.094 0.000 1.017 516 V CA -0.518 61.853 62.300 0.120 0.000 0.841 516 V CB 1.339 33.213 31.823 0.085 0.000 1.003 516 V HN 0.347 nan 8.190 nan 0.000 0.426 517 I N 5.583 126.084 120.570 -0.114 0.000 2.353 517 I HA 0.548 4.718 4.170 -0.000 0.000 0.293 517 I C -0.054 176.063 176.117 -0.001 0.000 0.992 517 I CA -0.054 61.153 61.300 -0.155 0.000 1.268 517 I CB 1.735 39.280 38.000 -0.758 0.000 1.387 517 I HN 0.318 nan 8.210 nan 0.000 0.478 518 V N 6.217 126.201 119.914 0.117 0.000 2.789 518 V HA 0.561 4.681 4.120 -0.000 0.000 0.311 518 V C -0.478 175.765 176.094 0.248 0.000 1.073 518 V CA -0.976 61.414 62.300 0.151 0.000 0.921 518 V CB 2.213 34.071 31.823 0.058 0.000 1.009 518 V HN 0.458 nan 8.190 nan 0.000 0.426 519 V N 0.983 121.044 119.914 0.245 0.000 2.394 519 V HA 0.954 5.074 4.120 -0.000 0.000 0.282 519 V C 0.298 176.459 176.094 0.112 0.000 1.031 519 V CA -0.456 62.009 62.300 0.276 0.000 0.881 519 V CB 1.208 33.182 31.823 0.253 0.000 0.982 519 V HN 1.158 nan 8.190 nan 0.000 0.451 520 A N 5.858 128.752 122.820 0.123 0.000 3.216 520 A HA 0.726 5.046 4.320 -0.000 0.000 0.321 520 A C -2.452 175.189 177.584 0.094 0.000 1.042 520 A CA -1.365 50.753 52.037 0.135 0.000 0.838 520 A CB 0.390 19.546 19.000 0.260 0.000 1.136 520 A HN 0.710 nan 8.150 nan 0.000 0.483 521 P HA 0.038 nan 4.420 nan 0.000 0.270 521 P C -0.342 177.002 177.300 0.074 0.000 1.223 521 P CA -0.177 62.863 63.100 -0.100 0.000 0.785 521 P CB 0.636 32.169 31.700 -0.279 0.000 0.923 522 N N 2.259 121.044 118.700 0.140 0.000 2.807 522 N HA 0.045 4.785 4.740 -0.000 0.000 0.259 522 N C -0.458 175.092 175.510 0.067 0.000 1.149 522 N CA -0.186 52.936 53.050 0.120 0.000 1.042 522 N CB -1.115 37.465 38.487 0.155 0.000 1.367 522 N HN 0.389 nan 8.380 nan 0.000 0.516 523 N N 0.213 118.939 118.700 0.044 0.000 3.343 523 N HA 0.214 4.954 4.740 -0.000 0.000 0.330 523 N C 0.555 176.080 175.510 0.025 0.000 1.560 523 N CA -0.558 52.510 53.050 0.029 0.000 0.752 523 N CB 0.255 38.755 38.487 0.022 0.000 1.863 523 N HN 0.069 nan 8.380 nan 0.000 0.636 524 E N 0.009 120.223 120.200 0.025 0.000 2.358 524 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 524 E C 1.102 177.717 176.600 0.025 0.000 1.010 524 E CA 0.776 57.190 56.400 0.023 0.000 0.856 524 E CB -0.530 29.186 29.700 0.027 0.000 0.795 524 E HN 0.659 nan 8.360 nan 0.000 0.504 525 L N 0.525 121.765 121.223 0.028 0.000 2.599 525 L HA 0.059 4.399 4.340 -0.000 0.000 0.230 525 L C 2.122 179.015 176.870 0.039 0.000 1.141 525 L CA -0.160 54.700 54.840 0.033 0.000 0.877 525 L CB -0.280 41.798 42.059 0.031 0.000 1.009 525 L HN 0.078 nan 8.230 nan 0.000 0.447 526 L N 0.238 121.483 121.223 0.036 0.000 1.989 526 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 526 L C 2.552 179.435 176.870 0.021 0.000 1.071 526 L CA 1.917 56.784 54.840 0.045 0.000 0.749 526 L CB -0.443 41.628 42.059 0.022 0.000 0.890 526 L HN 0.170 nan 8.230 nan 0.000 0.431 527 E N -0.282 119.916 120.200 -0.003 0.000 2.110 527 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 527 E C 2.187 178.792 176.600 0.009 0.000 0.988 527 E CA 0.849 57.239 56.400 -0.016 0.000 0.804 527 E CB -0.219 29.469 29.700 -0.020 0.000 0.745 527 E HN 0.325 nan 8.360 nan 0.000 0.458 528 K N 0.750 121.164 120.400 0.023 0.000 2.062 528 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 528 K C 2.134 178.763 176.600 0.048 0.000 1.051 528 K CA 0.310 56.616 56.287 0.031 0.000 0.941 528 K CB -0.728 31.792 32.500 0.033 0.000 0.719 528 K HN 0.098 nan 8.250 nan 0.000 0.440 529 L N 1.456 122.720 121.223 0.067 0.000 2.056 529 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 529 L C 1.775 178.722 176.870 0.129 0.000 1.078 529 L CA 1.796 56.696 54.840 0.100 0.000 0.749 529 L CB -0.268 41.866 42.059 0.125 0.000 0.901 529 L HN 0.035 nan 8.230 nan 0.000 0.433 530 K N -1.002 119.472 120.400 0.124 0.000 2.113 530 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 530 K C 2.294 178.947 176.600 0.088 0.000 1.047 530 K CA 1.638 58.002 56.287 0.129 0.000 0.928 530 K CB -0.316 32.174 32.500 -0.018 0.000 0.716 530 K HN 0.321 nan 8.250 nan 0.000 0.446 531 S N 0.842 116.571 115.700 0.050 0.000 2.368 531 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 531 S C 1.474 176.093 174.600 0.032 0.000 1.030 531 S CA 1.522 59.739 58.200 0.030 0.000 0.999 531 S CB -0.259 62.952 63.200 0.017 0.000 0.844 531 S HN 0.359 nan 8.310 nan 0.000 0.459 532 N N 0.987 119.713 118.700 0.043 0.000 2.069 532 N HA -0.033 4.707 4.740 -0.000 0.000 0.191 532 N C 1.644 177.180 175.510 0.043 0.000 1.031 532 N CA 1.524 54.596 53.050 0.037 0.000 0.852 532 N CB -0.264 38.252 38.487 0.049 0.000 1.018 532 N HN 0.341 nan 8.380 nan 0.000 0.423 533 I N 0.598 121.213 120.570 0.074 0.000 2.226 533 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 533 I C 2.345 178.487 176.117 0.043 0.000 1.100 533 I CA 1.014 62.355 61.300 0.068 0.000 1.374 533 I CB -0.146 37.930 38.000 0.127 0.000 1.057 533 I HN 0.128 nan 8.210 nan 0.000 0.413 534 E N 1.242 121.471 120.200 0.048 0.000 2.204 534 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 534 E C 1.895 178.495 176.600 0.001 0.000 0.990 534 E CA 1.417 57.830 56.400 0.022 0.000 0.821 534 E CB -0.037 29.675 29.700 0.020 0.000 0.750 534 E HN 0.458 nan 8.360 nan 0.000 0.477 535 E N -0.967 119.232 120.200 -0.002 0.000 2.107 535 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 535 E C 2.042 178.629 176.600 -0.022 0.000 0.982 535 E CA 1.050 57.439 56.400 -0.017 0.000 0.809 535 E CB 0.156 29.841 29.700 -0.025 0.000 0.756 535 E HN 0.101 nan 8.360 nan 0.000 0.459 536 V N 1.034 120.940 119.914 -0.014 0.000 2.307 536 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 536 V C 2.226 178.306 176.094 -0.024 0.000 1.045 536 V CA 1.644 63.934 62.300 -0.017 0.000 1.024 536 V CB -0.392 31.430 31.823 -0.003 0.000 0.651 536 V HN 0.182 nan 8.190 nan 0.000 0.449 537 R N 0.011 120.496 120.500 -0.026 0.000 2.120 537 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 537 R C 2.356 178.634 176.300 -0.036 0.000 1.123 537 R CA 1.366 57.442 56.100 -0.040 0.000 0.975 537 R CB -0.522 29.755 30.300 -0.038 0.000 0.866 537 R HN 0.538 nan 8.270 nan 0.000 0.446 538 A N 0.933 123.736 122.820 -0.028 0.000 2.015 538 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 538 A C 1.593 179.160 177.584 -0.028 0.000 1.163 538 A CA 1.064 53.085 52.037 -0.027 0.000 0.646 538 A CB -0.031 18.955 19.000 -0.023 0.000 0.806 538 A HN 0.074 nan 8.150 nan 0.000 0.448 539 R N -1.152 119.331 120.500 -0.029 0.000 2.388 539 R HA 0.228 4.568 4.340 -0.000 0.000 0.247 539 R C 1.125 177.408 176.300 -0.029 0.000 0.931 539 R CA 0.515 56.598 56.100 -0.029 0.000 1.082 539 R CB -0.652 29.630 30.300 -0.031 0.000 1.135 539 R HN 0.817 nan 8.270 nan 0.000 0.525 540 G N -0.248 108.533 108.800 -0.032 0.000 2.176 540 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.232 540 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.232 540 G C 0.568 175.448 174.900 -0.034 0.000 0.986 540 G CA -0.233 44.847 45.100 -0.034 0.000 0.643 540 G HN 0.573 nan 8.290 nan 0.000 0.522 541 G N -0.250 108.531 108.800 -0.031 0.000 2.484 541 G HA2 0.422 4.382 3.960 -0.000 0.000 0.235 541 G HA3 0.422 4.382 3.960 -0.000 0.000 0.235 541 G C 0.176 175.046 174.900 -0.051 0.000 1.282 541 G CA 0.022 45.108 45.100 -0.024 0.000 0.857 541 G HN 0.524 nan 8.290 nan 0.000 0.571 542 Q N 0.781 120.562 119.800 -0.031 0.000 2.421 542 Q HA 0.331 4.671 4.340 -0.000 0.000 0.242 542 Q C -0.565 175.361 176.000 -0.123 0.000 1.024 542 Q CA -0.348 55.405 55.803 -0.084 0.000 0.891 542 Q CB 1.434 30.183 28.738 0.017 0.000 1.222 542 Q HN 0.318 nan 8.270 nan 0.000 0.483 543 L N 3.017 124.072 121.223 -0.281 0.000 2.305 543 L HA 0.258 4.598 4.340 -0.000 0.000 0.281 543 L C -0.886 175.703 176.870 -0.468 0.000 1.085 543 L CA -0.154 54.533 54.840 -0.255 0.000 0.813 543 L CB 0.337 42.269 42.059 -0.212 0.000 1.157 543 L HN 0.504 nan 8.230 nan 0.000 0.436 544 Y N 3.132 123.395 120.300 -0.061 0.000 2.575 544 Y HA 0.454 5.004 4.550 -0.000 0.000 0.326 544 Y C -0.420 175.312 175.900 -0.280 0.000 0.979 544 Y CA -0.818 57.204 58.100 -0.131 0.000 1.286 544 Y CB 1.291 39.722 38.460 -0.049 0.000 1.093 544 Y HN 0.160 nan 8.280 nan 0.000 0.501 545 V N 4.676 124.407 119.914 -0.305 0.000 2.347 545 V HA 0.280 4.400 4.120 -0.000 0.000 0.280 545 V C -0.502 175.386 176.094 -0.344 0.000 1.021 545 V CA -0.952 61.151 62.300 -0.327 0.000 0.847 545 V CB 0.409 31.873 31.823 -0.599 0.000 0.990 545 V HN 0.443 nan 8.190 nan 0.000 0.444 546 F N 3.979 123.939 119.950 0.017 0.000 2.405 546 F HA 0.658 5.185 4.527 -0.000 0.000 0.358 546 F C 0.725 176.647 175.800 0.205 0.000 1.151 546 F CA -0.036 58.016 58.000 0.087 0.000 1.161 546 F CB 0.778 39.842 39.000 0.107 0.000 1.245 546 F HN 0.563 nan 8.300 nan 0.000 0.545 547 A N 2.755 125.737 122.820 0.270 0.000 2.401 547 A HA 0.463 4.783 4.320 -0.000 0.000 0.310 547 A C -0.908 176.897 177.584 0.369 0.000 1.075 547 A CA -0.928 51.310 52.037 0.334 0.000 0.746 547 A CB 0.868 19.998 19.000 0.217 0.000 1.277 547 A HN 0.606 nan 8.150 nan 0.000 0.425 548 D N 0.621 121.281 120.400 0.432 0.000 2.478 548 D HA 0.064 4.703 4.640 -0.000 0.000 0.234 548 D C 1.291 177.726 176.300 0.224 0.000 1.154 548 D CA 0.541 54.745 54.000 0.340 0.000 0.874 548 D CB 0.689 41.701 40.800 0.354 0.000 1.198 548 D HN 0.512 nan 8.370 nan 0.000 0.455 549 Q N 1.646 121.499 119.800 0.089 0.000 2.297 549 Q HA -0.132 4.208 4.340 -0.000 0.000 0.208 549 Q C 0.305 176.366 176.000 0.101 0.000 0.981 549 Q CA 0.945 56.776 55.803 0.046 0.000 0.876 549 Q CB 0.192 28.866 28.738 -0.106 0.000 0.921 549 Q HN 0.566 nan 8.270 nan 0.000 0.446 550 D N -0.450 120.051 120.400 0.168 0.000 2.395 550 D HA 0.179 4.819 4.640 -0.000 0.000 0.213 550 D C 1.101 177.472 176.300 0.119 0.000 1.110 550 D CA 0.150 54.247 54.000 0.163 0.000 0.835 550 D CB 0.494 41.435 40.800 0.235 0.000 0.965 550 D HN 0.170 nan 8.370 nan 0.000 0.505 551 A N 0.584 123.493 122.820 0.148 0.000 2.125 551 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 551 A C 1.904 179.415 177.584 -0.122 0.000 1.156 551 A CA 1.474 53.550 52.037 0.066 0.000 0.671 551 A CB -0.457 18.696 19.000 0.255 0.000 0.794 551 A HN 0.309 nan 8.150 nan 0.000 0.459 552 G N -2.517 106.266 108.800 -0.027 0.000 2.143 552 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 552 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 552 G C 0.024 174.854 174.900 -0.118 0.000 0.991 552 G CA 0.100 45.153 45.100 -0.077 0.000 0.689 552 G HN 0.360 nan 8.290 nan 0.000 0.522 553 F N -0.421 119.541 119.950 0.019 0.000 2.506 553 F HA 0.452 4.979 4.527 -0.000 0.000 0.351 553 F C 1.047 176.840 175.800 -0.012 0.000 1.136 553 F CA -0.138 57.863 58.000 0.001 0.000 1.298 553 F CB 1.221 40.222 39.000 0.001 0.000 1.145 553 F HN -0.024 nan 8.300 nan 0.000 0.593 554 V N 2.775 122.796 119.914 0.178 0.000 2.357 554 V HA 0.245 4.365 4.120 -0.000 0.000 0.284 554 V C -0.296 175.825 176.094 0.045 0.000 1.018 554 V CA -0.978 61.367 62.300 0.075 0.000 0.841 554 V CB 1.198 33.041 31.823 0.034 0.000 0.991 554 V HN 0.827 nan 8.190 nan 0.000 0.437 555 S N 4.183 119.891 115.700 0.014 0.000 2.576 555 S HA 0.743 5.213 4.470 -0.000 0.000 0.276 555 S C 0.172 174.731 174.600 -0.068 0.000 1.339 555 S CA -0.064 58.111 58.200 -0.042 0.000 1.039 555 S CB 1.361 64.541 63.200 -0.034 0.000 0.902 555 S HN 1.195 nan 8.310 nan 0.000 0.516 556 S N 0.290 115.909 115.700 -0.135 0.000 2.724 556 S HA 0.385 4.855 4.470 -0.000 0.000 0.278 556 S C 0.098 174.571 174.600 -0.213 0.000 1.190 556 S CA -0.767 57.353 58.200 -0.134 0.000 0.860 556 S CB 0.246 63.386 63.200 -0.100 0.000 1.206 556 S HN 0.521 nan 8.310 nan 0.000 0.507 557 D N 1.188 121.493 120.400 -0.159 0.000 2.126 557 D HA -0.127 4.513 4.640 -0.000 0.000 0.190 557 D C 0.450 176.578 176.300 -0.287 0.000 1.001 557 D CA 1.482 55.389 54.000 -0.155 0.000 0.841 557 D CB -0.327 40.414 40.800 -0.099 0.000 0.949 557 D HN 0.512 nan 8.370 nan 0.000 0.446 558 N N -0.221 118.300 118.700 -0.299 0.000 2.321 558 N HA 0.117 4.857 4.740 -0.000 0.000 0.242 558 N C -0.478 174.734 175.510 -0.497 0.000 1.141 558 N CA -0.030 52.789 53.050 -0.385 0.000 0.864 558 N CB 0.965 39.328 38.487 -0.208 0.000 1.100 558 N HN 0.140 nan 8.380 nan 0.000 0.510 559 M N 0.697 119.945 119.600 -0.587 0.000 2.007 559 M HA 0.214 4.694 4.480 -0.000 0.000 0.285 559 M C -1.632 174.323 176.300 -0.574 0.000 0.893 559 M CA -0.361 54.640 55.300 -0.499 0.000 0.925 559 M CB 0.542 32.993 32.600 -0.249 0.000 1.568 559 M HN 0.031 nan 8.290 nan 0.000 0.414 560 H N 4.508 123.349 119.070 -0.381 0.000 2.594 560 H HA 0.492 5.048 4.556 -0.000 0.000 0.304 560 H C -0.743 174.407 175.328 -0.297 0.000 1.068 560 H CA -0.566 55.282 56.048 -0.334 0.000 1.308 560 H CB 0.852 30.347 29.762 -0.446 0.000 1.409 560 H HN 0.440 nan 8.280 nan 0.000 0.460 561 I N 5.016 125.518 120.570 -0.113 0.000 2.330 561 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 561 I C -0.258 175.787 176.117 -0.120 0.000 1.001 561 I CA -0.815 60.395 61.300 -0.150 0.000 1.193 561 I CB 0.588 38.549 38.000 -0.065 0.000 1.345 561 I HN 0.519 nan 8.210 nan 0.000 0.461 562 I N 6.018 126.463 120.570 -0.209 0.000 2.306 562 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 562 I C 0.775 176.890 176.117 -0.003 0.000 1.036 562 I CA -0.257 60.967 61.300 -0.128 0.000 1.221 562 I CB 0.312 38.144 38.000 -0.279 0.000 1.385 562 I HN 0.403 nan 8.210 nan 0.000 0.472 563 E N 6.728 126.946 120.200 0.030 0.000 2.324 563 E HA 0.245 4.595 4.350 -0.000 0.000 0.271 563 E C -0.498 176.145 176.600 0.071 0.000 1.028 563 E CA -0.062 56.377 56.400 0.065 0.000 0.890 563 E CB 0.728 30.456 29.700 0.046 0.000 1.004 563 E HN 0.414 nan 8.360 nan 0.000 0.431 564 M N 3.835 123.497 119.600 0.104 0.000 2.404 564 M HA 0.379 4.859 4.480 -0.000 0.000 0.338 564 M C -2.358 174.007 176.300 0.109 0.000 1.150 564 M CA -2.599 52.758 55.300 0.094 0.000 1.016 564 M CB 1.066 33.721 32.600 0.093 0.000 1.672 564 M HN 0.105 nan 8.290 nan 0.000 0.448 565 P HA 0.049 nan 4.420 nan 0.000 0.270 565 P C -0.447 176.912 177.300 0.100 0.000 1.223 565 P CA 0.014 63.168 63.100 0.089 0.000 0.785 565 P CB 0.231 32.052 31.700 0.202 0.000 0.923 566 H N -0.340 118.787 119.070 0.095 0.000 2.948 566 H HA 0.209 4.765 4.556 -0.000 0.000 0.351 566 H C 0.120 175.363 175.328 -0.142 0.000 1.079 566 H CA 0.468 56.532 56.048 0.027 0.000 1.407 566 H CB 0.229 29.998 29.762 0.012 0.000 1.373 566 H HN 0.107 nan 8.280 nan 0.000 0.605 567 V N 2.664 122.563 119.914 -0.026 0.000 3.012 567 V HA 0.142 4.262 4.120 -0.000 0.000 0.307 567 V C -0.830 175.197 176.094 -0.112 0.000 1.166 567 V CA -0.921 61.210 62.300 -0.281 0.000 0.974 567 V CB 2.350 33.704 31.823 -0.782 0.000 1.040 567 V HN 0.768 nan 8.190 nan 0.000 0.428 568 E N 2.644 122.771 120.200 -0.121 0.000 2.465 568 E HA 0.055 4.405 4.350 -0.000 0.000 0.260 568 E C 0.791 177.380 176.600 -0.019 0.000 0.980 568 E CA 0.561 56.925 56.400 -0.060 0.000 0.927 568 E CB 0.773 30.437 29.700 -0.059 0.000 0.934 568 E HN 0.731 nan 8.360 nan 0.000 0.459 569 E N 2.836 123.040 120.200 0.007 0.000 2.118 569 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 569 E C 1.574 178.219 176.600 0.075 0.000 0.992 569 E CA 0.963 57.390 56.400 0.045 0.000 0.804 569 E CB -0.093 29.631 29.700 0.041 0.000 0.741 569 E HN 0.419 nan 8.360 nan 0.000 0.458 570 V N 0.690 120.618 119.914 0.022 0.000 2.515 570 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 570 V C 1.900 177.995 176.094 0.002 0.000 1.058 570 V CA 1.882 64.166 62.300 -0.027 0.000 1.064 570 V CB -0.393 31.335 31.823 -0.158 0.000 0.675 570 V HN 0.517 nan 8.190 nan 0.000 0.461 571 I N -1.969 118.616 120.570 0.026 0.000 3.956 571 I HA 0.422 4.591 4.170 -0.000 0.000 0.333 571 I C 2.114 178.358 176.117 0.211 0.000 1.302 571 I CA 0.696 62.049 61.300 0.089 0.000 1.122 571 I CB -0.423 37.583 38.000 0.009 0.000 1.013 571 I HN 0.099 nan 8.210 nan 0.000 0.405 572 A N 2.621 125.572 122.820 0.218 0.000 1.908 572 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 572 A C 0.165 177.985 177.584 0.394 0.000 1.181 572 A CA 1.793 54.023 52.037 0.321 0.000 0.627 572 A CB -1.825 17.287 19.000 0.186 0.000 0.818 572 A HN 0.373 nan 8.150 nan 0.000 0.445 573 P HA -0.125 nan 4.420 nan 0.000 0.216 573 P C 1.310 178.779 177.300 0.282 0.000 1.150 573 P CA 0.961 64.194 63.100 0.222 0.000 0.837 573 P CB -0.126 31.617 31.700 0.073 0.000 0.786 574 I N -2.414 118.337 120.570 0.300 0.000 2.286 574 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 574 I C 2.255 178.539 176.117 0.279 0.000 1.104 574 I CA 1.244 62.691 61.300 0.243 0.000 1.397 574 I CB -0.540 37.575 38.000 0.191 0.000 1.072 574 I HN -0.124 nan 8.210 nan 0.000 0.417 575 F N 0.682 120.718 119.950 0.143 0.000 2.186 575 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 575 F C 2.164 177.965 175.800 0.001 0.000 1.090 575 F CA 1.497 59.535 58.000 0.063 0.000 1.307 575 F CB -0.103 38.956 39.000 0.098 0.000 1.019 575 F HN -0.057 nan 8.300 nan 0.000 0.489 576 Y N 0.098 120.486 120.300 0.147 0.000 2.561 576 Y HA -0.079 4.471 4.550 -0.000 0.000 0.291 576 Y C 2.431 178.275 175.900 -0.093 0.000 1.141 576 Y CA 1.213 59.305 58.100 -0.013 0.000 1.303 576 Y CB -0.847 37.672 38.460 0.098 0.000 1.015 576 Y HN -0.018 nan 8.280 nan 0.000 0.547 577 T N -0.884 113.724 114.554 0.091 0.000 2.777 577 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 577 T C 2.176 176.803 174.700 -0.122 0.000 1.040 577 T CA 1.452 63.566 62.100 0.024 0.000 1.141 577 T CB -0.557 68.424 68.868 0.188 0.000 0.868 577 T HN 0.088 nan 8.240 nan 0.000 0.444 578 V N 2.903 122.715 119.914 -0.170 0.000 2.287 578 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 578 V C -0.266 175.639 176.094 -0.316 0.000 1.053 578 V CA 1.840 63.994 62.300 -0.243 0.000 1.027 578 V CB -1.634 30.021 31.823 -0.280 0.000 0.646 578 V HN 0.421 nan 8.190 nan 0.000 0.447 579 P HA -0.137 nan 4.420 nan 0.000 0.220 579 P C 1.772 178.755 177.300 -0.529 0.000 1.148 579 P CA 1.494 64.260 63.100 -0.557 0.000 0.803 579 P CB -0.029 31.125 31.700 -0.911 0.000 0.782 580 L N -0.974 119.997 121.223 -0.420 0.000 2.209 580 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 580 L C 2.863 179.638 176.870 -0.158 0.000 1.094 580 L CA 1.009 55.709 54.840 -0.234 0.000 0.790 580 L CB -0.949 41.043 42.059 -0.112 0.000 0.932 580 L HN -0.030 nan 8.230 nan 0.000 0.447 581 Q N 0.312 120.005 119.800 -0.179 0.000 2.050 581 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 581 Q C 2.387 178.332 176.000 -0.092 0.000 0.980 581 Q CA 1.322 57.036 55.803 -0.148 0.000 0.840 581 Q CB -0.110 28.529 28.738 -0.165 0.000 0.898 581 Q HN 0.486 nan 8.270 nan 0.000 0.424 582 L N 0.158 121.325 121.223 -0.092 0.000 2.083 582 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 582 L C 2.358 179.310 176.870 0.137 0.000 1.083 582 L CA 0.541 55.407 54.840 0.043 0.000 0.752 582 L CB -0.351 41.739 42.059 0.052 0.000 0.899 582 L HN 0.268 nan 8.230 nan 0.000 0.433 583 L N -0.012 121.226 121.223 0.025 0.000 2.056 583 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 583 L C 2.618 179.454 176.870 -0.057 0.000 1.078 583 L CA 1.913 56.756 54.840 0.006 0.000 0.749 583 L CB -0.647 41.385 42.059 -0.044 0.000 0.901 583 L HN 0.120 nan 8.230 nan 0.000 0.433 584 A N -1.153 121.629 122.820 -0.063 0.000 1.883 584 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 584 A C 2.302 179.829 177.584 -0.095 0.000 1.186 584 A CA 1.913 53.891 52.037 -0.097 0.000 0.624 584 A CB -1.293 17.646 19.000 -0.102 0.000 0.822 584 A HN 0.633 nan 8.150 nan 0.000 0.444 585 Y N 0.437 120.623 120.300 -0.191 0.000 2.081 585 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 585 Y C 2.592 178.314 175.900 -0.295 0.000 1.163 585 Y CA 2.360 60.298 58.100 -0.270 0.000 1.135 585 Y CB -0.569 37.705 38.460 -0.310 0.000 0.970 585 Y HN 0.501 nan 8.280 nan 0.000 0.498 586 H N -1.252 117.755 119.070 -0.104 0.000 2.387 586 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 586 H C 2.506 177.712 175.328 -0.204 0.000 1.090 586 H CA 1.796 57.738 56.048 -0.177 0.000 1.332 586 H CB -0.579 29.169 29.762 -0.022 0.000 1.386 586 H HN 0.323 nan 8.280 nan 0.000 0.516 587 V N 1.254 121.110 119.914 -0.096 0.000 2.343 587 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 587 V C 2.863 178.846 176.094 -0.186 0.000 1.051 587 V CA 1.529 63.749 62.300 -0.133 0.000 1.036 587 V CB -1.051 30.641 31.823 -0.218 0.000 0.654 587 V HN 0.452 nan 8.190 nan 0.000 0.451 588 A N -0.070 122.591 122.820 -0.265 0.000 1.908 588 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 588 A C 2.228 179.620 177.584 -0.319 0.000 1.181 588 A CA 1.935 53.775 52.037 -0.328 0.000 0.627 588 A CB -0.581 18.195 19.000 -0.373 0.000 0.818 588 A HN 0.504 nan 8.150 nan 0.000 0.445 589 L N -0.649 120.345 121.223 -0.382 0.000 1.990 589 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 589 L C 2.451 179.233 176.870 -0.148 0.000 1.072 589 L CA 1.130 55.798 54.840 -0.287 0.000 0.755 589 L CB -0.705 41.154 42.059 -0.332 0.000 0.889 589 L HN 0.287 nan 8.230 nan 0.000 0.432 590 I N -0.028 120.477 120.570 -0.109 0.000 2.208 590 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 590 I C 2.416 178.494 176.117 -0.066 0.000 1.097 590 I CA 1.487 62.752 61.300 -0.059 0.000 1.363 590 I CB -1.053 36.931 38.000 -0.025 0.000 1.051 590 I HN 0.216 nan 8.210 nan 0.000 0.413 591 K N 0.516 120.858 120.400 -0.098 0.000 2.439 591 K HA 0.081 4.400 4.320 -0.000 0.000 0.197 591 K C 1.273 177.823 176.600 -0.084 0.000 1.041 591 K CA 0.789 57.022 56.287 -0.090 0.000 0.970 591 K CB -0.519 31.900 32.500 -0.134 0.000 0.773 591 K HN 0.472 nan 8.250 nan 0.000 0.479 592 G N 2.619 111.359 108.800 -0.100 0.000 2.221 592 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.265 592 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.265 592 G C 0.290 175.139 174.900 -0.085 0.000 1.041 592 G CA 0.854 45.909 45.100 -0.075 0.000 0.807 592 G HN 0.414 nan 8.290 nan 0.000 0.502 593 T N -2.607 111.847 114.554 -0.168 0.000 2.881 593 T HA 0.537 4.887 4.350 -0.000 0.000 0.278 593 T C 0.007 174.616 174.700 -0.151 0.000 0.982 593 T CA -0.173 61.816 62.100 -0.186 0.000 0.989 593 T CB 2.186 70.763 68.868 -0.486 0.000 1.058 593 T HN 0.069 nan 8.240 nan 0.000 0.529 594 D N 1.268 121.624 120.400 -0.073 0.000 2.470 594 D HA 0.130 4.770 4.640 -0.000 0.000 0.226 594 D C 1.397 177.629 176.300 -0.114 0.000 1.196 594 D CA -0.321 53.642 54.000 -0.061 0.000 0.979 594 D CB 0.073 40.853 40.800 -0.034 0.000 1.059 594 D HN 0.365 nan 8.370 nan 0.000 0.515 595 V N 3.408 123.196 119.914 -0.209 0.000 2.278 595 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 595 V C 1.787 177.818 176.094 -0.105 0.000 1.062 595 V CA 1.770 63.921 62.300 -0.249 0.000 1.038 595 V CB -0.195 31.302 31.823 -0.545 0.000 0.646 595 V HN 0.471 nan 8.190 nan 0.000 0.447 596 D N -0.816 119.569 120.400 -0.025 0.000 2.234 596 D HA -0.016 4.623 4.640 -0.000 0.000 0.205 596 D C 1.310 177.575 176.300 -0.057 0.000 0.962 596 D CA 0.788 54.809 54.000 0.036 0.000 0.855 596 D CB 0.036 40.946 40.800 0.184 0.000 0.951 596 D HN 0.535 nan 8.370 nan 0.000 0.500 597 Q N 0.920 120.611 119.800 -0.181 0.000 2.965 597 Q HA 0.228 4.568 4.340 -0.000 0.000 0.288 597 Q C -2.505 173.369 176.000 -0.209 0.000 0.974 597 Q CA -1.589 53.930 55.803 -0.473 0.000 0.849 597 Q CB 2.217 30.243 28.738 -1.186 0.000 1.280 597 Q HN 0.094 nan 8.270 nan 0.000 0.441 598 P HA -0.091 nan 4.420 nan 0.000 0.268 598 P C -0.378 177.051 177.300 0.215 0.000 1.208 598 P CA 0.077 63.290 63.100 0.187 0.000 0.777 598 P CB 0.631 32.455 31.700 0.206 0.000 0.875 599 R N 1.857 122.462 120.500 0.175 0.000 2.694 599 R HA 0.142 4.482 4.340 -0.000 0.000 0.268 599 R C 0.284 176.563 176.300 -0.036 0.000 1.061 599 R CA -0.121 56.005 56.100 0.044 0.000 1.133 599 R CB -0.491 29.730 30.300 -0.131 0.000 1.020 599 R HN 0.547 nan 8.270 nan 0.000 0.475 600 N N -1.032 117.650 118.700 -0.031 0.000 2.965 600 N HA -0.193 4.547 4.740 -0.000 0.000 0.232 600 N C -0.810 174.672 175.510 -0.047 0.000 0.913 600 N CA 1.008 54.043 53.050 -0.025 0.000 0.981 600 N CB -0.844 37.620 38.487 -0.039 0.000 1.077 600 N HN 0.457 nan 8.380 nan 0.000 0.589 601 L N -0.593 120.481 121.223 -0.248 0.000 2.216 601 L HA 0.973 5.313 4.340 -0.000 0.000 0.260 601 L C 0.048 176.003 176.870 -1.525 0.000 1.036 601 L CA -0.657 53.812 54.840 -0.619 0.000 0.914 601 L CB 1.650 43.546 42.059 -0.271 0.000 1.501 601 L HN 0.068 nan 8.230 nan 0.000 0.485 602 A N -0.186 121.461 122.820 -1.956 0.000 2.536 602 A HA 0.518 4.838 4.320 -0.000 0.000 0.293 602 A C -1.729 175.433 177.584 -0.704 0.000 1.119 602 A CA -0.609 50.675 52.037 -1.254 0.000 0.654 602 A CB 1.533 19.710 19.000 -1.373 0.000 1.291 602 A HN 0.484 nan 8.150 nan 0.000 0.439 603 K N 0.868 121.134 120.400 -0.223 0.000 2.172 603 K HA 0.562 4.882 4.320 -0.000 0.000 0.276 603 K C -0.898 175.753 176.600 0.085 0.000 1.013 603 K CA 0.539 56.828 56.287 0.004 0.000 0.913 603 K CB 0.496 33.121 32.500 0.208 0.000 1.055 603 K HN 1.173 nan 8.250 nan 0.000 0.461 604 S N 0.579 116.373 115.700 0.156 0.000 2.935 604 S HA -0.119 4.351 4.470 -0.000 0.000 0.851 604 S C -0.604 174.147 174.600 0.252 0.000 0.902 604 S CA -0.344 57.957 58.200 0.169 0.000 1.428 604 S CB -0.708 62.559 63.200 0.111 0.000 1.024 604 S HN 0.458 nan 8.310 nan 0.000 0.334 605 V N 4.298 124.324 119.914 0.185 0.000 2.258 605 V HA 0.291 4.411 4.120 -0.000 0.000 0.258 605 V C 1.517 177.610 176.094 -0.002 0.000 1.121 605 V CA 0.382 62.733 62.300 0.085 0.000 0.942 605 V CB 0.319 32.164 31.823 0.037 0.000 1.170 605 V HN 1.103 nan 8.190 nan 0.000 0.487 606 T N 0.321 114.867 114.554 -0.013 0.000 3.060 606 T HA 0.245 4.595 4.350 -0.000 0.000 0.249 606 T C 0.346 175.027 174.700 -0.031 0.000 1.079 606 T CA -0.077 62.017 62.100 -0.010 0.000 1.013 606 T CB 0.410 69.284 68.868 0.010 0.000 0.975 606 T HN 0.247 nan 8.240 nan 0.000 0.518 607 V N 1.684 121.548 119.914 -0.083 0.000 2.555 607 V HA 0.387 4.507 4.120 -0.000 0.000 0.302 607 V C 0.361 176.385 176.094 -0.115 0.000 1.038 607 V CA -1.367 60.886 62.300 -0.079 0.000 0.887 607 V CB 1.949 33.717 31.823 -0.093 0.000 0.991 607 V HN 0.444 nan 8.190 nan 0.000 0.434 608 E N 0.000 120.163 120.200 -0.061 0.000 2.725 608 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 608 E CA 0.000 56.367 56.400 -0.055 0.000 0.976 608 E CB 0.000 29.707 29.700 0.012 0.000 0.812 608 E HN 0.000 nan 8.360 nan 0.000 0.440