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 1pev_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEFSQTALFP SLPRTARGTA VVLGNTPAGD KIQYCNGTSV YTVPVGSLTD DATA SEQUENCE TEIYTEHSHQ TTVAKTSPSG YYCASGDVHG NVRIWDTTQT THILKTTIPV DATA SEQUENCE FSGPVKDISW DSESKRIAAV GEGRERFGHV FLFDTGTSNG NLTGQARAMN DATA SEQUENCE SVDFKPSRPF RIISGSDDNT VAIFEGPPFK FKSTFGEHTK FVHSVRYNPD DATA SEQUENCE GSLFASTGGD GTIVLYNGVD GTKTGVFEDD SLKNVAHSGS VFGLTWSPDG DATA SEQUENCE TKIASASADK TIKIWNVATL KVEKTIPVGT RIEDQQLGII WTKQALVSIS DATA SEQUENCE ANGFINFVNP ELGSIDQVRY GHNKAITALS SSADGKTLFS ADAEGHINSW DATA SEQUENCE DISTGISNRV FPDVHATMIT GIKTTSKGDL FTVSWDDHLK VVPAGGSGVD DATA SEQUENCE SSKAVANKLS SQPLGLAVSA DGDIAVAACY KHIAIYSHGK LTEVPISYNS DATA SEQUENCE SCVALSNDKQ FVAVGGQDSK VHVYKLSGAS VSEVKTIVHP AEITSVAFSN DATA SEQUENCE NGAFLVATDQ SRKVIPYSVA NNFELAHTNS WTFHTAKVAC VSWSPDNVRL DATA SEQUENCE ATGSLDNSVI VWNMNKPSDH PIIIKGAHAM SSVNSVIWLN ETTIVSAGQD DATA SEQUENCE SNIKFWNVPF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.477 174.600 -0.205 0.000 1.055 2 S CA 0.000 58.055 58.200 -0.242 0.000 1.107 2 S CB 0.000 63.092 63.200 -0.179 0.000 0.593 3 E N 0.629 120.687 120.200 -0.236 0.000 2.481 3 E HA 0.265 4.615 4.350 0.000 0.000 0.195 3 E C -0.077 176.558 176.600 0.059 0.000 1.047 3 E CA 0.665 57.035 56.400 -0.051 0.000 0.867 3 E CB 0.234 29.964 29.700 0.050 0.000 0.858 3 E HN 0.567 nan 8.360 nan 0.000 0.513 4 F N -1.398 118.530 119.950 -0.037 0.000 2.770 4 F HA 0.516 5.043 4.527 0.000 0.000 0.313 4 F C -1.290 174.543 175.800 0.054 0.000 1.154 4 F CA -1.396 56.599 58.000 -0.008 0.000 0.923 4 F CB 0.945 39.907 39.000 -0.064 0.000 1.301 4 F HN -0.215 nan 8.300 nan 0.000 0.449 5 S N 0.451 116.361 115.700 0.350 0.000 2.537 5 S HA 0.429 4.899 4.470 0.000 0.000 0.271 5 S C -1.832 172.975 174.600 0.346 0.000 1.148 5 S CA -0.896 57.463 58.200 0.265 0.000 0.868 5 S CB 1.896 65.135 63.200 0.064 0.000 1.115 5 S HN 1.137 nan 8.310 nan 0.000 0.461 6 Q N 1.073 120.990 119.800 0.194 0.000 2.279 6 Q HA 0.400 4.740 4.340 0.000 0.000 0.256 6 Q C 0.889 176.791 176.000 -0.163 0.000 0.937 6 Q CA 0.034 55.700 55.803 -0.228 0.000 0.933 6 Q CB 0.963 29.369 28.738 -0.552 0.000 1.189 6 Q HN 0.961 nan 8.270 nan 0.000 0.417 7 T N 0.544 114.992 114.554 -0.177 0.000 3.040 7 T HA 0.498 4.848 4.350 0.000 0.000 0.252 7 T C 0.385 174.994 174.700 -0.150 0.000 1.064 7 T CA 0.357 62.388 62.100 -0.115 0.000 1.110 7 T CB 0.469 69.292 68.868 -0.076 0.000 0.921 7 T HN 0.547 nan 8.240 nan 0.000 0.480 8 A N 0.265 122.967 122.820 -0.196 0.000 2.599 8 A HA 0.765 5.085 4.320 0.000 0.000 0.290 8 A C -2.328 175.175 177.584 -0.135 0.000 1.101 8 A CA -0.945 50.991 52.037 -0.168 0.000 0.674 8 A CB 1.294 20.104 19.000 -0.317 0.000 1.277 8 A HN 0.572 nan 8.150 nan 0.000 0.419 9 L N 0.128 121.329 121.223 -0.035 0.000 2.505 9 L HA 0.824 5.164 4.340 0.000 0.000 0.266 9 L C -2.220 174.827 176.870 0.295 0.000 0.954 9 L CA -0.292 54.550 54.840 0.004 0.000 0.852 9 L CB 1.601 43.659 42.059 -0.002 0.000 1.282 9 L HN 0.487 nan 8.230 nan 0.000 0.403 10 F N 6.333 126.256 119.950 -0.044 0.000 2.325 10 F HA 0.534 5.062 4.527 0.000 0.000 0.369 10 F C -2.119 173.643 175.800 -0.063 0.000 1.095 10 F CA -2.884 55.031 58.000 -0.142 0.000 1.082 10 F CB 0.583 39.176 39.000 -0.679 0.000 1.289 10 F HN 0.319 nan 8.300 nan 0.000 0.462 11 P HA 0.047 nan 4.420 nan 0.000 0.274 11 P C 0.113 177.502 177.300 0.148 0.000 1.231 11 P CA -0.091 63.117 63.100 0.180 0.000 0.790 11 P CB 1.430 33.236 31.700 0.178 0.000 0.951 12 S N 1.877 117.562 115.700 -0.025 0.000 2.568 12 S HA 0.156 4.626 4.470 0.000 0.000 0.282 12 S C 0.388 174.970 174.600 -0.030 0.000 1.338 12 S CA -0.471 57.718 58.200 -0.018 0.000 1.045 12 S CB -0.483 62.646 63.200 -0.118 0.000 0.873 12 S HN 0.270 nan 8.310 nan 0.000 0.516 13 L N 4.430 125.679 121.223 0.042 0.000 2.468 13 L HA 0.461 4.801 4.340 0.000 0.000 0.254 13 L C -1.708 175.031 176.870 -0.218 0.000 1.171 13 L CA -2.346 52.440 54.840 -0.090 0.000 0.809 13 L CB 0.398 42.442 42.059 -0.024 0.000 1.155 13 L HN 0.571 nan 8.230 nan 0.000 0.473 14 P HA 0.040 nan 4.420 nan 0.000 0.272 14 P C -1.063 176.164 177.300 -0.121 0.000 1.223 14 P CA -0.398 62.475 63.100 -0.378 0.000 0.784 14 P CB 0.664 31.986 31.700 -0.629 0.000 0.923 15 R N 1.420 121.922 120.500 0.004 0.000 2.543 15 R HA 0.335 4.675 4.340 0.000 0.000 0.277 15 R C -0.097 176.176 176.300 -0.044 0.000 1.074 15 R CA 0.198 56.304 56.100 0.010 0.000 1.076 15 R CB 0.108 30.444 30.300 0.060 0.000 0.993 15 R HN 0.624 nan 8.270 nan 0.000 0.459 16 T N 0.315 114.832 114.554 -0.060 0.000 2.903 16 T HA 0.766 5.116 4.350 0.000 0.000 0.299 16 T C -1.098 173.549 174.700 -0.089 0.000 1.093 16 T CA -0.923 61.114 62.100 -0.104 0.000 1.002 16 T CB 2.026 70.805 68.868 -0.148 0.000 1.127 16 T HN 0.652 nan 8.240 nan 0.000 0.488 17 A N 2.543 125.289 122.820 -0.123 0.000 2.381 17 A HA 0.735 5.055 4.320 0.000 0.000 0.299 17 A C 0.151 177.644 177.584 -0.152 0.000 1.049 17 A CA -1.253 50.723 52.037 -0.101 0.000 0.715 17 A CB 1.054 20.008 19.000 -0.076 0.000 1.222 17 A HN 1.180 nan 8.150 nan 0.000 0.428 18 R N 1.736 122.170 120.500 -0.110 0.000 2.566 18 R HA 0.317 4.657 4.340 0.000 0.000 0.273 18 R C 0.820 177.041 176.300 -0.131 0.000 0.981 18 R CA 0.727 56.758 56.100 -0.116 0.000 1.091 18 R CB -0.054 30.217 30.300 -0.049 0.000 0.924 18 R HN 2.157 nan 8.270 nan 0.000 0.411 19 G N 2.141 110.830 108.800 -0.185 0.000 2.258 19 G HA2 -0.287 3.673 3.960 0.000 0.000 0.274 19 G HA3 -0.287 3.673 3.960 0.000 0.000 0.274 19 G C -0.347 174.382 174.900 -0.286 0.000 1.021 19 G CA 0.771 45.813 45.100 -0.097 0.000 0.798 19 G HN 0.789 nan 8.290 nan 0.000 0.507 20 T N -0.063 114.140 114.554 -0.586 0.000 2.861 20 T HA 0.739 5.089 4.350 0.000 0.000 0.287 20 T C 0.375 174.696 174.700 -0.633 0.000 1.003 20 T CA 0.184 62.021 62.100 -0.439 0.000 0.977 20 T CB 1.992 70.732 68.868 -0.214 0.000 0.996 20 T HN 1.302 nan 8.240 nan 0.000 0.448 21 A N 2.261 124.846 122.820 -0.392 0.000 2.425 21 A HA 0.596 4.916 4.320 0.000 0.000 0.249 21 A C -0.073 177.422 177.584 -0.148 0.000 1.084 21 A CA -0.412 51.478 52.037 -0.245 0.000 0.781 21 A CB 0.173 19.155 19.000 -0.029 0.000 1.019 21 A HN 0.690 nan 8.150 nan 0.000 0.490 22 V N 3.833 123.676 119.914 -0.119 0.000 2.357 22 V HA 0.297 4.417 4.120 0.000 0.000 0.284 22 V C -0.139 175.956 176.094 0.001 0.000 1.018 22 V CA -0.472 61.791 62.300 -0.062 0.000 0.841 22 V CB 1.204 32.970 31.823 -0.096 0.000 0.991 22 V HN 0.619 nan 8.190 nan 0.000 0.437 23 V N 6.998 126.937 119.914 0.043 0.000 2.439 23 V HA 0.473 4.593 4.120 0.000 0.000 0.282 23 V C 0.038 176.195 176.094 0.105 0.000 1.039 23 V CA -0.354 61.992 62.300 0.076 0.000 0.913 23 V CB 1.422 33.297 31.823 0.086 0.000 0.983 23 V HN 0.626 nan 8.190 nan 0.000 0.460 24 L N 3.809 125.097 121.223 0.108 0.000 2.330 24 L HA 0.890 5.230 4.340 0.000 0.000 0.271 24 L C 0.721 177.666 176.870 0.125 0.000 1.013 24 L CA -0.348 54.572 54.840 0.133 0.000 0.816 24 L CB 1.789 43.918 42.059 0.117 0.000 1.287 24 L HN 0.745 nan 8.230 nan 0.000 0.435 25 G N 0.650 109.525 108.800 0.126 0.000 2.932 25 G HA2 0.692 4.652 3.960 0.000 0.000 0.283 25 G HA3 0.692 4.652 3.960 0.000 0.000 0.283 25 G C -1.475 173.473 174.900 0.080 0.000 1.336 25 G CA -0.542 44.618 45.100 0.100 0.000 1.056 25 G HN 0.829 nan 8.290 nan 0.000 0.522 26 N N -2.230 116.497 118.700 0.046 0.000 3.043 26 N HA 0.476 5.216 4.740 0.000 0.000 0.243 26 N C -0.540 174.957 175.510 -0.020 0.000 1.347 26 N CA -0.424 52.645 53.050 0.032 0.000 0.896 26 N CB 1.343 39.865 38.487 0.058 0.000 1.501 26 N HN 0.661 nan 8.380 nan 0.000 0.504 27 T N -2.707 111.834 114.554 -0.022 0.000 2.849 27 T HA 0.416 4.766 4.350 0.000 0.000 0.284 27 T C -1.808 172.851 174.700 -0.068 0.000 1.004 27 T CA -1.336 60.724 62.100 -0.066 0.000 1.021 27 T CB 1.132 69.975 68.868 -0.041 0.000 1.013 27 T HN 0.332 nan 8.240 nan 0.000 0.527 28 P HA -0.073 nan 4.420 nan 0.000 0.215 28 P C 1.618 178.886 177.300 -0.053 0.000 1.157 28 P CA 1.611 64.647 63.100 -0.106 0.000 0.874 28 P CB -0.310 31.298 31.700 -0.153 0.000 0.790 29 A N -1.167 121.631 122.820 -0.037 0.000 2.121 29 A HA 0.218 4.538 4.320 0.000 0.000 0.218 29 A C 1.844 179.438 177.584 0.018 0.000 1.154 29 A CA 1.339 53.371 52.037 -0.009 0.000 0.679 29 A CB -1.529 17.469 19.000 -0.003 0.000 0.795 29 A HN 0.287 nan 8.150 nan 0.000 0.458 30 G N 0.166 108.979 108.800 0.022 0.000 2.162 30 G HA2 -0.345 3.615 3.960 0.000 0.000 0.260 30 G HA3 -0.345 3.615 3.960 0.000 0.000 0.260 30 G C 0.510 175.455 174.900 0.074 0.000 0.976 30 G CA 0.911 46.045 45.100 0.057 0.000 0.655 30 G HN 0.810 nan 8.290 nan 0.000 0.533 31 D N -0.107 120.328 120.400 0.057 0.000 2.347 31 D HA 0.077 4.717 4.640 0.000 0.000 0.215 31 D C 0.812 177.160 176.300 0.082 0.000 0.976 31 D CA 0.826 54.867 54.000 0.069 0.000 0.884 31 D CB 0.227 41.056 40.800 0.048 0.000 0.915 31 D HN 0.536 nan 8.370 nan 0.000 0.526 32 K N 0.208 120.651 120.400 0.072 0.000 2.502 32 K HA 0.553 4.873 4.320 0.000 0.000 0.257 32 K C -0.412 176.234 176.600 0.076 0.000 0.938 32 K CA -0.891 55.444 56.287 0.080 0.000 0.819 32 K CB 2.899 35.435 32.500 0.059 0.000 1.333 32 K HN 0.014 nan 8.250 nan 0.000 0.434 33 I N -1.873 118.752 120.570 0.092 0.000 3.023 33 I HA 0.485 4.655 4.170 0.000 0.000 0.312 33 I C -1.012 175.149 176.117 0.074 0.000 1.056 33 I CA -0.954 60.403 61.300 0.095 0.000 1.033 33 I CB 1.933 40.007 38.000 0.122 0.000 1.233 33 I HN 0.461 nan 8.210 nan 0.000 0.462 34 Q N 2.157 122.012 119.800 0.092 0.000 2.372 34 Q HA 0.582 4.922 4.340 0.000 0.000 0.273 34 Q C -1.851 174.250 176.000 0.168 0.000 1.078 34 Q CA -0.750 55.086 55.803 0.054 0.000 0.806 34 Q CB 2.806 31.588 28.738 0.073 0.000 1.332 34 Q HN 0.737 nan 8.270 nan 0.000 0.435 35 Y N -2.266 118.147 120.300 0.188 0.000 2.725 35 Y HA 0.787 5.337 4.550 0.000 0.000 0.333 35 Y C -1.413 174.644 175.900 0.262 0.000 1.242 35 Y CA -1.436 56.765 58.100 0.169 0.000 1.059 35 Y CB 0.749 39.273 38.460 0.108 0.000 1.306 35 Y HN 0.651 nan 8.280 nan 0.000 0.454 36 C N 1.342 120.959 119.300 0.527 0.000 2.802 36 C HA 0.833 5.293 4.460 0.000 0.000 0.307 36 C C -0.901 174.338 174.990 0.415 0.000 1.222 36 C CA -0.618 58.670 59.018 0.450 0.000 1.580 36 C CB 1.430 29.315 27.740 0.242 0.000 2.119 36 C HN 0.833 nan 8.230 nan 0.000 0.479 37 N N -0.621 118.346 118.700 0.446 0.000 2.405 37 N HA 0.602 5.342 4.740 0.000 0.000 0.274 37 N C 0.140 175.822 175.510 0.287 0.000 1.170 37 N CA 1.205 54.446 53.050 0.317 0.000 0.848 37 N CB 1.819 40.476 38.487 0.283 0.000 1.629 37 N HN 1.381 nan 8.380 nan 0.000 0.481 38 G N 1.155 110.064 108.800 0.181 0.000 2.583 38 G HA2 -0.319 3.641 3.960 0.000 0.000 0.292 38 G HA3 -0.319 3.641 3.960 0.000 0.000 0.292 38 G C 0.526 175.488 174.900 0.104 0.000 1.203 38 G CA 1.069 46.250 45.100 0.135 0.000 0.987 38 G HN 1.339 nan 8.290 nan 0.000 0.554 39 T N -2.086 112.514 114.554 0.076 0.000 3.176 39 T HA 0.639 4.990 4.350 0.000 0.000 0.263 39 T C 0.648 175.367 174.700 0.032 0.000 1.021 39 T CA 0.977 63.108 62.100 0.052 0.000 0.905 39 T CB 0.211 69.095 68.868 0.027 0.000 1.057 39 T HN 0.850 nan 8.240 nan 0.000 0.558 40 S N 0.572 116.285 115.700 0.021 0.000 2.681 40 S HA 0.749 5.219 4.470 0.000 0.000 0.299 40 S C -0.569 173.982 174.600 -0.082 0.000 1.113 40 S CA -0.730 57.400 58.200 -0.117 0.000 1.013 40 S CB 1.945 64.928 63.200 -0.362 0.000 1.076 40 S HN 0.222 nan 8.310 nan 0.000 0.534 41 V N 2.216 122.036 119.914 -0.156 0.000 2.487 41 V HA 0.409 4.529 4.120 0.000 0.000 0.298 41 V C -1.619 174.329 176.094 -0.244 0.000 1.028 41 V CA -0.606 61.694 62.300 0.000 0.000 0.860 41 V CB 0.849 32.841 31.823 0.282 0.000 0.991 41 V HN 0.805 nan 8.190 nan 0.000 0.427 42 Y N 1.808 122.067 120.300 -0.067 0.000 2.341 42 Y HA 0.540 5.090 4.550 0.000 0.000 0.337 42 Y C 0.789 176.553 175.900 -0.228 0.000 1.014 42 Y CA -0.597 57.378 58.100 -0.209 0.000 1.111 42 Y CB 1.973 40.140 38.460 -0.487 0.000 1.194 42 Y HN 0.491 nan 8.280 nan 0.000 0.462 43 T N 3.930 118.500 114.554 0.027 0.000 2.874 43 T HA 0.409 4.759 4.350 0.000 0.000 0.321 43 T C -0.658 174.069 174.700 0.045 0.000 1.075 43 T CA -0.561 61.559 62.100 0.033 0.000 0.966 43 T CB -0.031 68.885 68.868 0.080 0.000 1.001 43 T HN 0.280 nan 8.240 nan 0.000 0.476 44 V N 7.230 127.159 119.914 0.024 0.000 2.370 44 V HA 0.413 4.533 4.120 0.000 0.000 0.279 44 V C -1.998 174.169 176.094 0.120 0.000 1.029 44 V CA -2.245 60.109 62.300 0.089 0.000 0.870 44 V CB 1.257 33.160 31.823 0.133 0.000 0.984 44 V HN 0.603 nan 8.190 nan 0.000 0.451 45 P HA 0.151 nan 4.420 nan 0.000 0.284 45 P C 0.715 178.103 177.300 0.147 0.000 1.253 45 P CA -0.157 63.010 63.100 0.111 0.000 0.800 45 P CB 1.884 33.631 31.700 0.079 0.000 0.961 46 V N 0.625 120.638 119.914 0.167 0.000 3.510 46 V HA 0.125 4.246 4.120 0.000 0.000 0.270 46 V C 1.508 177.633 176.094 0.053 0.000 1.201 46 V CA 1.668 64.102 62.300 0.222 0.000 1.166 46 V CB -1.181 30.826 31.823 0.307 0.000 0.825 46 V HN 0.579 nan 8.190 nan 0.000 0.484 47 G N 0.504 109.330 108.800 0.043 0.000 2.549 47 G HA2 0.069 4.029 3.960 0.000 0.000 0.219 47 G HA3 0.069 4.029 3.960 0.000 0.000 0.219 47 G C 0.709 175.600 174.900 -0.015 0.000 1.677 47 G CA 0.631 45.731 45.100 0.000 0.000 0.929 47 G HN 0.553 nan 8.290 nan 0.000 0.549 48 S N -0.422 115.284 115.700 0.010 0.000 2.566 48 S HA 0.176 4.646 4.470 0.000 0.000 0.280 48 S C 1.007 175.622 174.600 0.025 0.000 1.343 48 S CA -0.254 57.953 58.200 0.012 0.000 1.036 48 S CB 0.378 63.594 63.200 0.027 0.000 0.866 48 S HN 0.239 nan 8.310 nan 0.000 0.526 49 L N 2.884 124.117 121.223 0.018 0.000 2.766 49 L HA 0.193 4.534 4.340 0.000 0.000 0.242 49 L C 1.622 178.549 176.870 0.095 0.000 1.136 49 L CA 0.397 55.255 54.840 0.029 0.000 0.933 49 L CB 0.116 42.148 42.059 -0.046 0.000 1.241 49 L HN 0.906 nan 8.230 nan 0.000 0.522 50 T N -6.982 107.636 114.554 0.106 0.000 2.986 50 T HA 0.124 4.474 4.350 0.000 0.000 0.264 50 T C 0.757 175.511 174.700 0.091 0.000 0.964 50 T CA -0.204 61.991 62.100 0.158 0.000 0.895 50 T CB 0.237 69.178 68.868 0.122 0.000 1.163 50 T HN -0.066 nan 8.240 nan 0.000 0.517 51 D N 2.368 122.811 120.400 0.071 0.000 2.427 51 D HA 0.186 4.826 4.640 0.000 0.000 0.224 51 D C 0.124 176.468 176.300 0.073 0.000 1.157 51 D CA 0.058 54.091 54.000 0.054 0.000 0.828 51 D CB 0.495 41.318 40.800 0.039 0.000 0.974 51 D HN 0.321 nan 8.370 nan 0.000 0.498 52 T N 1.381 115.995 114.554 0.100 0.000 2.903 52 T HA 0.071 4.421 4.350 0.000 0.000 0.314 52 T C 0.527 175.289 174.700 0.103 0.000 1.078 52 T CA 0.256 62.426 62.100 0.116 0.000 1.114 52 T CB 1.121 70.085 68.868 0.161 0.000 0.987 52 T HN 0.075 nan 8.240 nan 0.000 0.548 53 E N 1.647 121.908 120.200 0.102 0.000 2.212 53 E HA 0.570 4.920 4.350 0.000 0.000 0.268 53 E C -0.648 175.977 176.600 0.040 0.000 0.902 53 E CA -0.668 55.786 56.400 0.091 0.000 0.779 53 E CB 1.973 31.751 29.700 0.131 0.000 1.172 53 E HN 0.442 nan 8.360 nan 0.000 0.409 54 I N 1.840 122.397 120.570 -0.022 0.000 2.569 54 I HA 0.336 4.506 4.170 0.000 0.000 0.296 54 I C -1.257 174.740 176.117 -0.199 0.000 1.028 54 I CA -1.140 60.041 61.300 -0.198 0.000 1.082 54 I CB 1.494 39.345 38.000 -0.249 0.000 1.264 54 I HN 0.538 nan 8.210 nan 0.000 0.429 55 Y N 3.939 123.963 120.300 -0.461 0.000 2.326 55 Y HA 0.463 5.013 4.550 0.000 0.000 0.329 55 Y C -0.837 174.791 175.900 -0.454 0.000 0.973 55 Y CA -0.407 57.320 58.100 -0.621 0.000 1.162 55 Y CB 1.746 39.523 38.460 -1.139 0.000 1.147 55 Y HN 0.476 nan 8.280 nan 0.000 0.456 56 T N 6.102 120.186 114.554 -0.783 0.000 3.327 56 T HA 0.245 4.595 4.350 0.000 0.000 0.373 56 T C 0.191 174.523 174.700 -0.613 0.000 1.589 56 T CA -0.387 61.393 62.100 -0.534 0.000 1.497 56 T CB 0.291 68.984 68.868 -0.292 0.000 1.032 56 T HN 0.811 nan 8.240 nan 0.000 0.640 57 E N 0.301 120.028 120.200 -0.787 0.000 2.572 57 E HA 0.075 4.425 4.350 0.000 0.000 0.220 57 E C 0.154 176.602 176.600 -0.253 0.000 0.945 57 E CA -0.348 55.730 56.400 -0.538 0.000 1.070 57 E CB 0.572 29.852 29.700 -0.699 0.000 1.090 57 E HN 0.567 nan 8.360 nan 0.000 0.506 58 H N 0.684 119.673 119.070 -0.134 0.000 2.732 58 H HA 0.040 4.596 4.556 0.000 0.000 0.351 58 H C 1.254 176.556 175.328 -0.043 0.000 1.090 58 H CA 0.710 56.761 56.048 0.005 0.000 1.431 58 H CB 1.567 31.375 29.762 0.078 0.000 1.447 58 H HN 0.096 nan 8.280 nan 0.000 0.582 59 S N 2.389 118.133 115.700 0.073 0.000 2.556 59 S HA 0.040 4.510 4.470 0.000 0.000 0.216 59 S C 0.185 174.580 174.600 -0.341 0.000 0.970 59 S CA -0.128 57.996 58.200 -0.127 0.000 0.912 59 S CB 0.162 63.262 63.200 -0.168 0.000 0.790 59 S HN 0.583 nan 8.310 nan 0.000 0.504 60 H N 0.794 119.880 119.070 0.026 0.000 2.797 60 H HA 0.477 5.033 4.556 0.000 0.000 0.372 60 H C -0.578 174.755 175.328 0.007 0.000 1.168 60 H CA -0.829 55.192 56.048 -0.046 0.000 1.163 60 H CB 0.920 30.594 29.762 -0.147 0.000 1.778 60 H HN 0.166 nan 8.280 nan 0.000 0.551 61 Q N 1.667 121.537 119.800 0.117 0.000 2.320 61 Q HA -0.000 4.340 4.340 0.000 0.000 0.311 61 Q C -0.433 175.600 176.000 0.056 0.000 1.083 61 Q CA -0.011 55.840 55.803 0.081 0.000 1.001 61 Q CB 0.363 29.150 28.738 0.081 0.000 1.074 61 Q HN 0.770 nan 8.270 nan 0.000 0.379 62 T N 1.260 115.824 114.554 0.018 0.000 2.907 62 T HA 0.219 4.569 4.350 0.000 0.000 0.298 62 T C 1.010 175.727 174.700 0.028 0.000 1.017 62 T CA -0.123 61.943 62.100 -0.056 0.000 1.118 62 T CB 1.477 70.306 68.868 -0.064 0.000 0.948 62 T HN 0.762 nan 8.240 nan 0.000 0.531 63 T N -0.540 114.029 114.554 0.025 0.000 3.114 63 T HA 0.357 4.707 4.350 0.000 0.000 0.240 63 T C 0.526 175.279 174.700 0.088 0.000 0.983 63 T CA 0.262 62.402 62.100 0.067 0.000 1.151 63 T CB 0.107 69.021 68.868 0.078 0.000 0.974 63 T HN 0.750 nan 8.240 nan 0.000 0.442 64 V N 0.416 120.385 119.914 0.091 0.000 3.012 64 V HA 0.819 4.939 4.120 0.000 0.000 0.307 64 V C -2.037 174.138 176.094 0.134 0.000 1.166 64 V CA -0.516 61.854 62.300 0.117 0.000 0.974 64 V CB 1.779 33.668 31.823 0.110 0.000 1.040 64 V HN 0.917 nan 8.190 nan 0.000 0.428 65 A N 5.457 128.368 122.820 0.151 0.000 2.427 65 A HA 0.968 5.288 4.320 0.000 0.000 0.298 65 A C -1.351 176.315 177.584 0.137 0.000 1.036 65 A CA -0.744 51.391 52.037 0.164 0.000 0.701 65 A CB 1.971 21.093 19.000 0.203 0.000 1.250 65 A HN 0.620 nan 8.150 nan 0.000 0.412 66 K N 1.458 121.946 120.400 0.147 0.000 2.443 66 K HA 0.588 4.908 4.320 0.000 0.000 0.252 66 K C -0.943 175.738 176.600 0.134 0.000 0.933 66 K CA -0.394 55.996 56.287 0.171 0.000 0.792 66 K CB 2.071 34.741 32.500 0.283 0.000 1.185 66 K HN 0.657 nan 8.250 nan 0.000 0.425 67 T N 1.388 115.894 114.554 -0.079 0.000 2.875 67 T HA 0.212 4.562 4.350 0.000 0.000 0.284 67 T C 0.459 174.732 174.700 -0.711 0.000 0.995 67 T CA -0.403 61.492 62.100 -0.341 0.000 1.060 67 T CB 0.847 69.545 68.868 -0.282 0.000 0.967 67 T HN 0.625 nan 8.240 nan 0.000 0.476 68 S N 3.404 118.292 115.700 -1.353 0.000 2.584 68 S HA 0.147 4.617 4.470 0.000 0.000 0.270 68 S C -1.847 172.232 174.600 -0.870 0.000 1.346 68 S CA -1.025 56.116 58.200 -1.765 0.000 1.018 68 S CB 0.392 62.211 63.200 -2.301 0.000 0.899 68 S HN 0.343 nan 8.310 nan 0.000 0.542 69 P HA -0.116 nan 4.420 nan 0.000 0.218 69 P C 1.793 178.811 177.300 -0.471 0.000 1.148 69 P CA 1.607 64.460 63.100 -0.412 0.000 0.822 69 P CB -0.179 31.340 31.700 -0.301 0.000 0.784 70 S N -1.679 113.635 115.700 -0.644 0.000 2.402 70 S HA 0.015 4.485 4.470 0.000 0.000 0.229 70 S C 1.934 175.938 174.600 -0.993 0.000 1.021 70 S CA 1.209 58.885 58.200 -0.875 0.000 0.974 70 S CB -1.543 61.004 63.200 -1.088 0.000 0.800 70 S HN 0.291 nan 8.310 nan 0.000 0.484 71 G N 0.075 108.420 108.800 -0.759 0.000 2.176 71 G HA2 -0.290 3.670 3.960 0.000 0.000 0.253 71 G HA3 -0.290 3.670 3.960 0.000 0.000 0.253 71 G C 0.481 175.165 174.900 -0.360 0.000 0.979 71 G CA 0.507 45.310 45.100 -0.495 0.000 0.641 71 G HN 0.583 nan 8.290 nan 0.000 0.530 72 Y N -0.779 119.274 120.300 -0.411 0.000 2.420 72 Y HA 0.449 4.999 4.550 0.000 0.000 0.292 72 Y C 1.300 176.761 175.900 -0.731 0.000 1.119 72 Y CA -0.379 57.402 58.100 -0.533 0.000 1.229 72 Y CB -0.293 37.796 38.460 -0.618 0.000 1.026 72 Y HN 0.373 nan 8.280 nan 0.000 0.554 73 Y N -1.782 118.314 120.300 -0.341 0.000 2.602 73 Y HA 0.527 5.077 4.550 0.000 0.000 0.342 73 Y C -0.458 175.116 175.900 -0.543 0.000 1.029 73 Y CA -2.146 55.728 58.100 -0.376 0.000 1.080 73 Y CB 1.791 40.091 38.460 -0.266 0.000 1.284 73 Y HN -0.178 nan 8.280 nan 0.000 0.485 74 C N 1.935 120.981 119.300 -0.423 0.000 2.535 74 C HA 0.914 5.375 4.460 0.000 0.000 0.319 74 C C -0.866 173.892 174.990 -0.387 0.000 1.171 74 C CA -0.433 58.238 59.018 -0.577 0.000 1.394 74 C CB -0.467 26.471 27.740 -1.337 0.000 1.990 74 C HN 0.917 nan 8.230 nan 0.000 0.466 75 A N 4.759 127.648 122.820 0.115 0.000 2.258 75 A HA 0.804 5.124 4.320 0.000 0.000 0.316 75 A C -0.030 177.641 177.584 0.146 0.000 1.279 75 A CA -0.105 51.982 52.037 0.082 0.000 0.876 75 A CB 0.631 19.562 19.000 -0.115 0.000 1.170 75 A HN 1.563 nan 8.150 nan 0.000 0.520 76 S N 1.677 117.557 115.700 0.301 0.000 2.513 76 S HA 0.876 5.347 4.470 0.000 0.000 0.299 76 S C 0.090 174.910 174.600 0.367 0.000 1.087 76 S CA -0.165 58.257 58.200 0.370 0.000 1.012 76 S CB 1.744 65.299 63.200 0.593 0.000 1.044 76 S HN 1.350 nan 8.310 nan 0.000 0.485 77 G N 0.778 109.685 108.800 0.179 0.000 2.644 77 G HA2 0.744 4.704 3.960 0.000 0.000 0.307 77 G HA3 0.744 4.704 3.960 0.000 0.000 0.307 77 G C -1.436 173.457 174.900 -0.012 0.000 1.250 77 G CA -0.814 44.377 45.100 0.152 0.000 0.996 77 G HN 0.880 nan 8.290 nan 0.000 0.489 78 D N -2.857 117.588 120.400 0.075 0.000 2.636 78 D HA 0.321 4.961 4.640 0.000 0.000 0.275 78 D C 1.158 177.537 176.300 0.131 0.000 1.130 78 D CA -0.046 53.987 54.000 0.055 0.000 1.031 78 D CB 1.091 41.963 40.800 0.120 0.000 1.451 78 D HN 0.727 nan 8.370 nan 0.000 0.505 79 V N -2.741 117.256 119.914 0.139 0.000 3.026 79 V HA -0.066 4.054 4.120 0.000 0.000 0.265 79 V C 1.007 177.241 176.094 0.233 0.000 1.121 79 V CA 1.314 63.717 62.300 0.171 0.000 1.142 79 V CB -1.228 30.693 31.823 0.163 0.000 0.730 79 V HN 0.617 nan 8.190 nan 0.000 0.503 80 H N 0.411 119.452 119.070 -0.047 0.000 2.549 80 H HA 0.378 4.934 4.556 0.000 0.000 0.279 80 H C 1.835 177.136 175.328 -0.046 0.000 1.018 80 H CA 0.178 56.132 56.048 -0.157 0.000 1.175 80 H CB 0.648 30.055 29.762 -0.591 0.000 1.485 80 H HN 0.642 nan 8.280 nan 0.000 0.543 81 G N 1.286 110.164 108.800 0.131 0.000 2.157 81 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 81 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 81 G C -0.071 174.765 174.900 -0.107 0.000 0.979 81 G CA -0.262 44.846 45.100 0.013 0.000 0.650 81 G HN 0.310 nan 8.290 nan 0.000 0.529 82 N N -0.083 118.636 118.700 0.032 0.000 2.518 82 N HA 0.485 5.225 4.740 0.000 0.000 0.283 82 N C -0.399 175.191 175.510 0.133 0.000 1.119 82 N CA 0.046 53.132 53.050 0.060 0.000 0.983 82 N CB 2.100 40.679 38.487 0.153 0.000 1.139 82 N HN 0.079 nan 8.380 nan 0.000 0.465 83 V N 3.174 123.137 119.914 0.081 0.000 2.409 83 V HA 0.343 4.463 4.120 0.000 0.000 0.290 83 V C 0.021 176.218 176.094 0.172 0.000 1.017 83 V CA -0.667 61.729 62.300 0.160 0.000 0.841 83 V CB 1.354 33.244 31.823 0.113 0.000 1.003 83 V HN 0.509 nan 8.190 nan 0.000 0.426 84 R N 4.925 125.594 120.500 0.283 0.000 2.407 84 R HA 0.716 5.056 4.340 0.000 0.000 0.303 84 R C -1.013 175.519 176.300 0.386 0.000 0.981 84 R CA -0.553 55.720 56.100 0.288 0.000 0.905 84 R CB 2.060 32.493 30.300 0.223 0.000 1.099 84 R HN 0.585 nan 8.270 nan 0.000 0.459 85 I N 4.099 124.865 120.570 0.327 0.000 2.382 85 I HA 0.450 4.620 4.170 0.000 0.000 0.286 85 I C -0.429 175.909 176.117 0.368 0.000 1.002 85 I CA -0.615 60.826 61.300 0.234 0.000 1.135 85 I CB 0.831 38.962 38.000 0.218 0.000 1.288 85 I HN 0.509 nan 8.210 nan 0.000 0.448 86 W N 3.746 125.188 121.300 0.238 0.000 3.029 86 W HA 0.466 5.126 4.660 0.000 0.000 0.339 86 W C -1.092 175.606 176.519 0.299 0.000 1.198 86 W CA -1.200 56.289 57.345 0.240 0.000 1.148 86 W CB 0.500 29.956 29.460 -0.005 0.000 1.451 86 W HN 0.404 nan 8.180 nan 0.000 0.564 87 D N 0.844 121.553 120.400 0.515 0.000 2.425 87 D HA 0.164 4.804 4.640 0.000 0.000 0.247 87 D C 1.277 177.827 176.300 0.418 0.000 1.147 87 D CA 0.722 54.857 54.000 0.224 0.000 0.879 87 D CB 1.572 42.471 40.800 0.165 0.000 1.179 87 D HN 0.429 nan 8.370 nan 0.000 0.456 88 T N -1.091 113.563 114.554 0.166 0.000 3.022 88 T HA -0.034 4.316 4.350 0.000 0.000 0.250 88 T C 1.762 176.606 174.700 0.239 0.000 1.060 88 T CA 0.627 62.902 62.100 0.292 0.000 1.013 88 T CB -0.324 68.537 68.868 -0.012 0.000 0.982 88 T HN 0.464 nan 8.240 nan 0.000 0.508 89 T N -0.177 114.428 114.554 0.085 0.000 2.942 89 T HA 0.119 4.469 4.350 0.000 0.000 0.265 89 T C 0.822 175.513 174.700 -0.015 0.000 1.062 89 T CA 0.287 62.398 62.100 0.019 0.000 1.139 89 T CB -0.262 68.576 68.868 -0.049 0.000 0.883 89 T HN 0.493 nan 8.240 nan 0.000 0.468 90 Q N 0.866 120.629 119.800 -0.061 0.000 2.301 90 Q HA 0.419 4.759 4.340 0.000 0.000 0.267 90 Q C 1.218 176.979 176.000 -0.397 0.000 1.035 90 Q CA -0.167 55.547 55.803 -0.148 0.000 0.856 90 Q CB 1.878 30.555 28.738 -0.101 0.000 1.337 90 Q HN 0.380 nan 8.270 nan 0.000 0.450 91 T N -3.329 111.049 114.554 -0.294 0.000 3.025 91 T HA -0.162 4.189 4.350 0.000 0.000 0.270 91 T C 1.536 176.025 174.700 -0.352 0.000 1.126 91 T CA 1.643 63.541 62.100 -0.336 0.000 1.105 91 T CB -0.454 68.340 68.868 -0.122 0.000 0.884 91 T HN 0.789 nan 8.240 nan 0.000 0.522 92 T N -1.536 112.864 114.554 -0.258 0.000 2.978 92 T HA -0.047 4.303 4.350 0.000 0.000 0.262 92 T C 0.740 175.460 174.700 0.034 0.000 1.063 92 T CA 0.616 62.665 62.100 -0.085 0.000 1.140 92 T CB -0.561 68.290 68.868 -0.028 0.000 0.886 92 T HN 0.547 nan 8.240 nan 0.000 0.470 93 H N 1.382 120.554 119.070 0.170 0.000 2.655 93 H HA -0.100 4.456 4.556 0.000 0.000 0.313 93 H C -0.213 175.301 175.328 0.310 0.000 1.141 93 H CA 0.282 56.506 56.048 0.294 0.000 1.138 93 H CB -2.297 27.667 29.762 0.337 0.000 1.446 93 H HN 0.388 nan 8.280 nan 0.000 0.415 94 I N 0.937 121.685 120.570 0.296 0.000 2.906 94 I HA -0.183 3.987 4.170 0.000 0.000 0.301 94 I C 1.402 177.732 176.117 0.355 0.000 1.221 94 I CA 0.168 61.624 61.300 0.261 0.000 1.435 94 I CB -0.403 37.709 38.000 0.186 0.000 1.345 94 I HN 0.145 nan 8.210 nan 0.000 0.558 95 L N 7.754 129.163 121.223 0.310 0.000 2.410 95 L HA 0.035 4.375 4.340 0.000 0.000 0.273 95 L C 1.179 178.217 176.870 0.279 0.000 1.144 95 L CA 0.447 55.484 54.840 0.329 0.000 0.863 95 L CB 0.287 42.486 42.059 0.233 0.000 1.140 95 L HN 0.586 nan 8.230 nan 0.000 0.463 96 K N 2.516 123.107 120.400 0.318 0.000 2.141 96 K HA 0.235 4.555 4.320 0.000 0.000 0.202 96 K C -0.264 176.416 176.600 0.132 0.000 1.045 96 K CA 1.042 57.472 56.287 0.238 0.000 0.971 96 K CB 0.415 33.068 32.500 0.255 0.000 0.795 96 K HN 0.740 nan 8.250 nan 0.000 0.459 97 T N -0.909 113.733 114.554 0.146 0.000 3.012 97 T HA 0.289 4.639 4.350 0.000 0.000 0.330 97 T C -1.612 173.143 174.700 0.092 0.000 1.321 97 T CA -0.804 61.344 62.100 0.079 0.000 1.067 97 T CB 1.776 70.668 68.868 0.040 0.000 1.235 97 T HN 0.027 nan 8.240 nan 0.000 0.479 98 T N 2.235 116.807 114.554 0.031 0.000 2.886 98 T HA 0.818 5.168 4.350 0.000 0.000 0.292 98 T C -1.546 173.111 174.700 -0.072 0.000 1.012 98 T CA -0.651 61.457 62.100 0.013 0.000 0.982 98 T CB 0.777 69.660 68.868 0.024 0.000 1.018 98 T HN 0.683 nan 8.240 nan 0.000 0.451 99 I N 5.863 126.357 120.570 -0.127 0.000 2.692 99 I HA 0.590 4.760 4.170 0.000 0.000 0.293 99 I C -2.833 173.149 176.117 -0.226 0.000 1.200 99 I CA -2.794 58.368 61.300 -0.230 0.000 1.036 99 I CB 3.021 40.750 38.000 -0.452 0.000 1.258 99 I HN 0.391 nan 8.210 nan 0.000 0.421 100 P HA 0.111 nan 4.420 nan 0.000 0.283 100 P C 0.782 177.886 177.300 -0.325 0.000 1.412 100 P CA -0.273 62.703 63.100 -0.208 0.000 0.912 100 P CB 1.335 32.952 31.700 -0.139 0.000 1.132 101 V N 1.731 121.370 119.914 -0.458 0.000 2.548 101 V HA 0.048 4.168 4.120 0.000 0.000 0.249 101 V C 0.553 176.326 176.094 -0.535 0.000 1.055 101 V CA 1.129 63.065 62.300 -0.607 0.000 1.065 101 V CB -1.565 29.828 31.823 -0.717 0.000 0.681 101 V HN 0.419 nan 8.190 nan 0.000 0.462 102 F N -2.538 117.357 119.950 -0.092 0.000 2.900 102 F HA 0.715 5.242 4.527 0.000 0.000 0.321 102 F C -0.662 175.087 175.800 -0.085 0.000 1.160 102 F CA -1.545 56.398 58.000 -0.095 0.000 0.890 102 F CB 0.625 39.586 39.000 -0.065 0.000 1.334 102 F HN -0.306 nan 8.300 nan 0.000 0.459 103 S N 0.867 116.700 115.700 0.223 0.000 2.466 103 S HA 0.753 5.223 4.470 0.000 0.000 0.313 103 S C 0.060 174.710 174.600 0.083 0.000 1.078 103 S CA 0.001 58.238 58.200 0.063 0.000 1.115 103 S CB 0.157 63.340 63.200 -0.029 0.000 1.006 103 S HN 1.391 nan 8.310 nan 0.000 0.487 104 G N 3.832 112.718 108.800 0.143 0.000 2.350 104 G HA2 0.212 4.172 3.960 0.000 0.000 0.304 104 G HA3 0.212 4.172 3.960 0.000 0.000 0.304 104 G C -3.635 171.418 174.900 0.255 0.000 1.421 104 G CA -1.014 44.157 45.100 0.119 0.000 0.934 104 G HN 0.264 nan 8.290 nan 0.000 0.632 105 P HA 0.356 nan 4.420 nan 0.000 0.271 105 P C 0.214 177.712 177.300 0.331 0.000 1.216 105 P CA 0.004 63.236 63.100 0.219 0.000 0.771 105 P CB 1.417 33.195 31.700 0.130 0.000 0.864 106 V N 5.372 125.496 119.914 0.350 0.000 2.555 106 V HA 0.053 4.173 4.120 0.000 0.000 0.286 106 V C 1.678 177.904 176.094 0.220 0.000 1.044 106 V CA 0.465 62.991 62.300 0.377 0.000 1.026 106 V CB 0.556 32.506 31.823 0.212 0.000 0.981 106 V HN 0.583 nan 8.190 nan 0.000 0.480 107 K N 2.031 122.548 120.400 0.196 0.000 2.313 107 K HA 0.234 4.554 4.320 0.000 0.000 0.197 107 K C -0.074 176.590 176.600 0.107 0.000 1.061 107 K CA 0.187 56.543 56.287 0.114 0.000 0.980 107 K CB 0.488 33.030 32.500 0.069 0.000 0.888 107 K HN 0.690 nan 8.250 nan 0.000 0.502 108 D N -0.497 119.975 120.400 0.119 0.000 2.609 108 D HA 0.464 5.104 4.640 0.000 0.000 0.239 108 D C -1.552 174.797 176.300 0.082 0.000 1.229 108 D CA -0.519 53.537 54.000 0.094 0.000 0.808 108 D CB 1.795 42.641 40.800 0.075 0.000 1.448 108 D HN -0.133 nan 8.370 nan 0.000 0.433 109 I N 0.674 121.281 120.570 0.061 0.000 2.865 109 I HA 0.493 4.663 4.170 0.000 0.000 0.302 109 I C -0.831 175.295 176.117 0.015 0.000 1.140 109 I CA -0.793 60.516 61.300 0.014 0.000 1.021 109 I CB 2.268 40.276 38.000 0.013 0.000 1.233 109 I HN 0.201 nan 8.210 nan 0.000 0.427 110 S N 3.469 119.145 115.700 -0.041 0.000 2.614 110 S HA 0.515 4.985 4.470 0.000 0.000 0.275 110 S C -1.777 172.888 174.600 0.107 0.000 1.161 110 S CA -0.464 57.779 58.200 0.072 0.000 0.969 110 S CB 0.810 64.043 63.200 0.055 0.000 1.059 110 S HN 0.430 nan 8.310 nan 0.000 0.482 111 W N 3.490 124.793 121.300 0.006 0.000 2.375 111 W HA 0.385 5.045 4.660 0.000 0.000 0.336 111 W C 0.582 176.921 176.519 -0.300 0.000 1.160 111 W CA -0.142 57.108 57.345 -0.159 0.000 1.266 111 W CB 0.639 29.970 29.460 -0.215 0.000 1.195 111 W HN 0.683 nan 8.180 nan 0.000 0.599 112 D N -0.262 119.836 120.400 -0.502 0.000 2.387 112 D HA 0.059 4.699 4.640 0.000 0.000 0.251 112 D C 1.207 177.229 176.300 -0.464 0.000 1.141 112 D CA -0.081 53.315 54.000 -1.008 0.000 0.987 112 D CB 1.001 40.799 40.800 -1.670 0.000 1.116 112 D HN 0.392 nan 8.370 nan 0.000 0.491 113 S N 0.405 115.828 115.700 -0.462 0.000 2.400 113 S HA -0.240 4.230 4.470 0.000 0.000 0.232 113 S C 1.188 175.670 174.600 -0.195 0.000 1.025 113 S CA 1.115 59.167 58.200 -0.248 0.000 0.993 113 S CB -0.635 62.478 63.200 -0.144 0.000 0.808 113 S HN 0.682 nan 8.310 nan 0.000 0.478 114 E N 1.104 121.174 120.200 -0.218 0.000 2.481 114 E HA 0.172 4.522 4.350 0.000 0.000 0.195 114 E C 0.023 176.558 176.600 -0.108 0.000 1.047 114 E CA 0.358 56.690 56.400 -0.113 0.000 0.867 114 E CB -0.162 29.507 29.700 -0.051 0.000 0.858 114 E HN 0.440 nan 8.360 nan 0.000 0.513 115 S N 0.100 115.721 115.700 -0.132 0.000 3.635 115 S HA -0.209 4.261 4.470 0.000 0.000 0.328 115 S C 0.742 175.383 174.600 0.068 0.000 1.135 115 S CA 1.155 59.313 58.200 -0.069 0.000 0.942 115 S CB -1.139 61.856 63.200 -0.342 0.000 0.930 115 S HN 0.367 nan 8.310 nan 0.000 0.512 116 K N -0.428 120.018 120.400 0.077 0.000 2.435 116 K HA 0.201 4.521 4.320 0.000 0.000 0.199 116 K C 0.670 177.334 176.600 0.106 0.000 1.153 116 K CA 0.144 56.565 56.287 0.223 0.000 0.974 116 K CB 0.575 33.146 32.500 0.118 0.000 0.997 116 K HN 0.286 nan 8.250 nan 0.000 0.547 117 R N 0.823 121.228 120.500 -0.159 0.000 2.740 117 R HA 0.555 4.895 4.340 0.000 0.000 0.282 117 R C -0.764 175.226 176.300 -0.517 0.000 0.969 117 R CA -0.629 55.275 56.100 -0.327 0.000 0.918 117 R CB 2.047 32.145 30.300 -0.336 0.000 1.175 117 R HN -0.079 nan 8.270 nan 0.000 0.464 118 I N 1.123 121.276 120.570 -0.695 0.000 2.533 118 I HA 0.487 4.657 4.170 0.000 0.000 0.290 118 I C -0.654 175.069 176.117 -0.658 0.000 1.056 118 I CA -0.932 59.872 61.300 -0.826 0.000 1.057 118 I CB 2.259 39.480 38.000 -1.300 0.000 1.240 118 I HN 0.654 nan 8.210 nan 0.000 0.423 119 A N 4.775 127.396 122.820 -0.332 0.000 2.331 119 A HA 0.925 5.245 4.320 0.000 0.000 0.320 119 A C -0.696 176.772 177.584 -0.193 0.000 1.138 119 A CA -0.492 51.335 52.037 -0.349 0.000 0.790 119 A CB 1.396 20.039 19.000 -0.594 0.000 1.206 119 A HN 0.802 nan 8.150 nan 0.000 0.470 120 A N 1.838 124.631 122.820 -0.046 0.000 2.356 120 A HA 0.758 5.078 4.320 0.000 0.000 0.310 120 A C -0.371 177.362 177.584 0.248 0.000 1.075 120 A CA -0.222 51.865 52.037 0.084 0.000 0.746 120 A CB 1.184 20.243 19.000 0.098 0.000 1.221 120 A HN 2.168 nan 8.150 nan 0.000 0.443 121 V N 0.111 120.194 119.914 0.282 0.000 2.914 121 V HA 1.068 5.188 4.120 0.000 0.000 0.314 121 V C 0.182 176.471 176.094 0.326 0.000 1.084 121 V CA 0.296 62.784 62.300 0.313 0.000 0.963 121 V CB 1.260 33.149 31.823 0.109 0.000 1.025 121 V HN 2.091 nan 8.190 nan 0.000 0.432 122 G N 2.496 111.295 108.800 -0.002 0.000 2.539 122 G HA2 0.381 4.341 3.960 0.000 0.000 0.138 122 G HA3 0.381 4.341 3.960 0.000 0.000 0.138 122 G C -1.292 173.382 174.900 -0.376 0.000 1.148 122 G CA -0.310 44.693 45.100 -0.162 0.000 1.057 122 G HN 0.769 nan 8.290 nan 0.000 0.511 123 E N 0.603 120.566 120.200 -0.395 0.000 2.546 123 E HA 0.503 4.853 4.350 0.000 0.000 0.227 123 E C 0.066 176.512 176.600 -0.257 0.000 1.009 123 E CA -0.418 55.872 56.400 -0.182 0.000 0.813 123 E CB 1.222 30.881 29.700 -0.068 0.000 1.269 123 E HN 0.646 nan 8.360 nan 0.000 0.432 124 G N 0.830 109.387 108.800 -0.404 0.000 2.434 124 G HA2 0.193 4.153 3.960 0.000 0.000 0.330 124 G HA3 0.193 4.153 3.960 0.000 0.000 0.330 124 G C 0.571 175.340 174.900 -0.219 0.000 1.155 124 G CA -0.526 44.409 45.100 -0.275 0.000 0.917 124 G HN 0.325 nan 8.290 nan 0.000 0.493 125 R N -0.160 120.262 120.500 -0.130 0.000 2.093 125 R HA -0.025 4.315 4.340 0.000 0.000 0.224 125 R C 2.093 178.274 176.300 -0.197 0.000 1.101 125 R CA 1.301 57.320 56.100 -0.134 0.000 0.979 125 R CB 0.123 30.377 30.300 -0.076 0.000 0.877 125 R HN 0.703 nan 8.270 nan 0.000 0.441 126 E N 1.823 121.923 120.200 -0.168 0.000 2.250 126 E HA -0.053 4.297 4.350 0.000 0.000 0.192 126 E C 0.552 177.008 176.600 -0.239 0.000 0.986 126 E CA 0.510 56.811 56.400 -0.165 0.000 0.849 126 E CB 0.160 29.804 29.700 -0.094 0.000 0.797 126 E HN 0.331 nan 8.360 nan 0.000 0.482 127 R N -1.766 118.550 120.500 -0.307 0.000 2.728 127 R HA 0.377 4.717 4.340 0.000 0.000 0.274 127 R C -0.777 175.240 176.300 -0.471 0.000 1.032 127 R CA -0.727 55.147 56.100 -0.377 0.000 0.866 127 R CB -0.167 30.082 30.300 -0.084 0.000 1.263 127 R HN -0.164 nan 8.270 nan 0.000 0.475 128 F N -0.287 119.587 119.950 -0.127 0.000 2.721 128 F HA 0.469 4.996 4.527 0.000 0.000 0.301 128 F C 0.971 176.689 175.800 -0.137 0.000 1.096 128 F CA 0.302 58.132 58.000 -0.283 0.000 1.308 128 F CB 1.290 40.186 39.000 -0.173 0.000 1.086 128 F HN 0.814 nan 8.300 nan 0.000 0.587 129 G N -1.371 107.573 108.800 0.239 0.000 2.698 129 G HA2 0.459 4.419 3.960 0.000 0.000 0.293 129 G HA3 0.459 4.419 3.960 0.000 0.000 0.293 129 G C -2.209 172.889 174.900 0.329 0.000 1.437 129 G CA -0.503 44.788 45.100 0.317 0.000 0.852 129 G HN 0.151 nan 8.290 nan 0.000 0.499 130 H N -0.675 118.478 119.070 0.139 0.000 3.029 130 H HA 0.553 5.109 4.556 0.000 0.000 0.358 130 H C -1.990 173.387 175.328 0.082 0.000 1.129 130 H CA -0.577 55.535 56.048 0.107 0.000 1.230 130 H CB 2.690 32.529 29.762 0.127 0.000 1.827 130 H HN 0.603 nan 8.280 nan 0.000 0.530 131 V N 7.264 126.938 119.914 -0.400 0.000 2.540 131 V HA 0.628 4.748 4.120 0.000 0.000 0.302 131 V C -1.470 174.398 176.094 -0.376 0.000 1.035 131 V CA -0.345 61.730 62.300 -0.374 0.000 0.873 131 V CB 1.020 32.677 31.823 -0.277 0.000 0.992 131 V HN 0.585 nan 8.190 nan 0.000 0.428 132 F N 4.491 124.244 119.950 -0.328 0.000 2.711 132 F HA 0.709 5.236 4.527 0.000 0.000 0.313 132 F C -1.413 174.329 175.800 -0.097 0.000 1.141 132 F CA -1.464 56.405 58.000 -0.217 0.000 0.941 132 F CB 1.279 40.153 39.000 -0.210 0.000 1.349 132 F HN 0.354 nan 8.300 nan 0.000 0.464 133 L N 2.969 124.264 121.223 0.120 0.000 2.380 133 L HA 0.202 4.542 4.340 0.000 0.000 0.273 133 L C 1.204 178.151 176.870 0.130 0.000 1.138 133 L CA -0.523 54.345 54.840 0.046 0.000 0.832 133 L CB 0.901 42.977 42.059 0.028 0.000 1.124 133 L HN 0.940 nan 8.230 nan 0.000 0.454 134 F N 2.017 121.916 119.950 -0.086 0.000 2.134 134 F HA -0.190 4.337 4.527 0.000 0.000 0.299 134 F C 1.970 177.766 175.800 -0.006 0.000 1.097 134 F CA 1.426 59.384 58.000 -0.070 0.000 1.264 134 F CB -0.364 38.502 39.000 -0.223 0.000 1.001 134 F HN 0.665 nan 8.300 nan 0.000 0.479 135 D N 0.058 119.638 120.400 -1.367 0.000 2.194 135 D HA -0.131 4.509 4.640 0.000 0.000 0.204 135 D C 1.846 177.907 176.300 -0.399 0.000 0.964 135 D CA 1.793 55.151 54.000 -1.069 0.000 0.846 135 D CB -1.202 38.919 40.800 -1.131 0.000 0.962 135 D HN 0.531 nan 8.370 nan 0.000 0.490 136 T N -4.623 109.781 114.554 -0.250 0.000 3.015 136 T HA 0.390 4.740 4.350 0.000 0.000 0.250 136 T C 1.819 176.489 174.700 -0.050 0.000 1.057 136 T CA 0.643 62.675 62.100 -0.114 0.000 1.066 136 T CB 0.227 69.049 68.868 -0.077 0.000 0.959 136 T HN 0.341 nan 8.240 nan 0.000 0.488 137 G N 1.437 110.247 108.800 0.015 0.000 2.162 137 G HA2 -0.258 3.702 3.960 0.000 0.000 0.260 137 G HA3 -0.258 3.702 3.960 0.000 0.000 0.260 137 G C 0.195 175.128 174.900 0.055 0.000 0.976 137 G CA 0.357 45.459 45.100 0.004 0.000 0.655 137 G HN 0.720 nan 8.290 nan 0.000 0.533 138 T N 1.230 115.835 114.554 0.084 0.000 2.870 138 T HA 0.453 4.803 4.350 0.000 0.000 0.300 138 T C 0.825 175.613 174.700 0.146 0.000 0.989 138 T CA 0.710 62.862 62.100 0.087 0.000 1.139 138 T CB 1.451 70.348 68.868 0.048 0.000 0.920 138 T HN 0.681 nan 8.240 nan 0.000 0.537 139 S N 2.465 118.256 115.700 0.153 0.000 2.546 139 S HA 0.007 4.477 4.470 0.000 0.000 0.290 139 S C 0.950 175.606 174.600 0.093 0.000 1.290 139 S CA -0.267 58.020 58.200 0.146 0.000 1.069 139 S CB -0.120 63.208 63.200 0.213 0.000 0.846 139 S HN 0.808 nan 8.310 nan 0.000 0.495 140 N N 2.671 121.413 118.700 0.069 0.000 2.275 140 N HA 0.359 5.099 4.740 0.000 0.000 0.236 140 N C 0.224 175.832 175.510 0.164 0.000 1.154 140 N CA 0.163 53.282 53.050 0.115 0.000 0.866 140 N CB 0.085 38.666 38.487 0.158 0.000 1.093 140 N HN 0.850 nan 8.380 nan 0.000 0.515 141 G N 0.631 109.506 108.800 0.124 0.000 2.339 141 G HA2 -0.038 3.922 3.960 0.000 0.000 0.275 141 G HA3 -0.038 3.922 3.960 0.000 0.000 0.275 141 G C -1.932 173.044 174.900 0.127 0.000 1.323 141 G CA -0.918 44.273 45.100 0.152 0.000 0.927 141 G HN 0.251 nan 8.290 nan 0.000 0.486 142 N N -0.214 118.572 118.700 0.144 0.000 2.480 142 N HA 0.450 5.190 4.740 0.000 0.000 0.289 142 N C 0.240 175.817 175.510 0.111 0.000 1.073 142 N CA -0.743 52.386 53.050 0.132 0.000 0.885 142 N CB 1.204 39.780 38.487 0.147 0.000 1.421 142 N HN 0.378 nan 8.380 nan 0.000 0.503 143 L N 2.418 123.638 121.223 -0.005 0.000 2.688 143 L HA 0.170 4.510 4.340 0.000 0.000 0.234 143 L C 0.418 177.381 176.870 0.156 0.000 1.192 143 L CA 0.110 54.837 54.840 -0.189 0.000 0.984 143 L CB -0.469 41.359 42.059 -0.384 0.000 1.232 143 L HN 0.550 nan 8.230 nan 0.000 0.465 144 T N -0.037 114.645 114.554 0.213 0.000 2.926 144 T HA 0.376 4.726 4.350 0.000 0.000 0.307 144 T C 1.098 175.904 174.700 0.176 0.000 1.059 144 T CA 0.840 63.034 62.100 0.156 0.000 1.122 144 T CB 1.633 70.546 68.868 0.075 0.000 0.972 144 T HN 0.576 nan 8.240 nan 0.000 0.545 145 G N 1.630 110.426 108.800 -0.007 0.000 3.768 145 G HA2 -0.051 3.909 3.960 0.000 0.000 0.214 145 G HA3 -0.051 3.909 3.960 0.000 0.000 0.214 145 G C -0.205 174.564 174.900 -0.217 0.000 1.058 145 G CA -0.530 44.349 45.100 -0.370 0.000 0.890 145 G HN 0.606 nan 8.290 nan 0.000 0.393 146 Q N 0.262 120.088 119.800 0.042 0.000 2.222 146 Q HA 0.688 5.028 4.340 0.000 0.000 0.252 146 Q C 1.033 177.102 176.000 0.115 0.000 0.926 146 Q CA -0.115 55.715 55.803 0.045 0.000 0.899 146 Q CB 2.066 30.839 28.738 0.059 0.000 1.250 146 Q HN 0.336 nan 8.270 nan 0.000 0.441 147 A N 2.322 125.166 122.820 0.039 0.000 2.119 147 A HA 0.023 4.343 4.320 0.000 0.000 0.216 147 A C 0.588 178.174 177.584 0.003 0.000 1.152 147 A CA 0.924 53.020 52.037 0.097 0.000 0.708 147 A CB 0.319 19.341 19.000 0.036 0.000 0.805 147 A HN 0.457 nan 8.150 nan 0.000 0.460 148 R N -1.984 118.283 120.500 -0.387 0.000 2.930 148 R HA 0.632 4.972 4.340 0.000 0.000 0.257 148 R C -0.128 175.288 176.300 -1.473 0.000 1.107 148 R CA -0.285 55.330 56.100 -0.810 0.000 0.999 148 R CB 0.443 30.533 30.300 -0.349 0.000 1.209 148 R HN 0.174 nan 8.270 nan 0.000 0.486 149 A N 1.474 123.545 122.820 -1.249 0.000 2.598 149 A HA 0.013 4.333 4.320 0.000 0.000 0.239 149 A C 0.140 177.412 177.584 -0.521 0.000 1.032 149 A CA 0.653 52.171 52.037 -0.865 0.000 0.760 149 A CB -0.325 18.415 19.000 -0.433 0.000 0.946 149 A HN 0.528 nan 8.150 nan 0.000 0.512 150 M N 3.203 122.612 119.600 -0.318 0.000 2.108 150 M HA 0.182 4.662 4.480 0.000 0.000 0.354 150 M C 0.568 176.822 176.300 -0.076 0.000 1.229 150 M CA -0.360 54.862 55.300 -0.131 0.000 1.081 150 M CB 0.990 33.583 32.600 -0.012 0.000 1.606 150 M HN 0.784 nan 8.290 nan 0.000 0.467 151 N N 0.386 119.056 118.700 -0.051 0.000 2.415 151 N HA 0.060 4.800 4.740 0.000 0.000 0.174 151 N C -0.004 175.534 175.510 0.047 0.000 1.048 151 N CA 0.243 53.295 53.050 0.003 0.000 0.895 151 N CB 0.741 39.246 38.487 0.031 0.000 1.036 151 N HN 0.514 nan 8.380 nan 0.000 0.449 152 S N -0.083 115.642 115.700 0.040 0.000 2.546 152 S HA 0.637 5.107 4.470 0.000 0.000 0.274 152 S C -1.545 173.069 174.600 0.023 0.000 1.121 152 S CA -0.567 57.663 58.200 0.051 0.000 0.887 152 S CB 1.719 64.961 63.200 0.070 0.000 1.094 152 S HN -0.122 nan 8.310 nan 0.000 0.474 153 V N 2.606 122.526 119.914 0.009 0.000 3.087 153 V HA 0.809 4.929 4.120 0.000 0.000 0.306 153 V C -2.127 173.939 176.094 -0.047 0.000 1.187 153 V CA -0.414 61.853 62.300 -0.054 0.000 0.999 153 V CB 2.438 34.196 31.823 -0.108 0.000 1.049 153 V HN 1.021 nan 8.190 nan 0.000 0.431 154 D N 2.759 123.102 120.400 -0.095 0.000 2.836 154 D HA 0.412 5.052 4.640 0.000 0.000 0.215 154 D C -1.538 174.732 176.300 -0.050 0.000 1.255 154 D CA -0.199 53.803 54.000 0.003 0.000 0.822 154 D CB 1.498 42.384 40.800 0.142 0.000 1.656 154 D HN 0.306 nan 8.370 nan 0.000 0.511 155 F N 1.625 121.530 119.950 -0.075 0.000 2.371 155 F HA 0.355 4.882 4.527 0.000 0.000 0.329 155 F C 1.100 176.705 175.800 -0.325 0.000 1.107 155 F CA -0.348 57.526 58.000 -0.210 0.000 1.137 155 F CB 1.083 39.909 39.000 -0.291 0.000 1.214 155 F HN 0.128 nan 8.300 nan 0.000 0.536 156 K N 5.426 125.644 120.400 -0.303 0.000 2.312 156 K HA 0.184 4.504 4.320 0.000 0.000 0.287 156 K C -1.790 174.648 176.600 -0.271 0.000 1.062 156 K CA -1.463 54.281 56.287 -0.906 0.000 0.934 156 K CB 0.911 33.009 32.500 -0.671 0.000 1.027 156 K HN 0.218 nan 8.250 nan 0.000 0.478 157 P HA -0.097 nan 4.420 nan 0.000 0.230 157 P C -0.412 176.932 177.300 0.072 0.000 1.158 157 P CA 0.608 63.663 63.100 -0.075 0.000 0.769 157 P CB 0.241 31.897 31.700 -0.074 0.000 0.807 158 S N -1.223 114.534 115.700 0.094 0.000 2.600 158 S HA 0.564 5.034 4.470 0.000 0.000 0.300 158 S C -0.142 174.536 174.600 0.129 0.000 1.087 158 S CA -1.015 57.262 58.200 0.128 0.000 0.965 158 S CB 2.109 65.324 63.200 0.024 0.000 1.089 158 S HN -0.137 nan 8.310 nan 0.000 0.496 159 R N 1.410 121.830 120.500 -0.133 0.000 2.490 159 R HA 0.450 4.790 4.340 0.000 0.000 0.278 159 R C -2.276 173.928 176.300 -0.160 0.000 1.069 159 R CA -1.712 54.139 56.100 -0.414 0.000 1.080 159 R CB 0.265 30.207 30.300 -0.598 0.000 1.030 159 R HN 0.561 nan 8.270 nan 0.000 0.491 160 P HA 0.033 nan 4.420 nan 0.000 0.276 160 P C -0.624 176.694 177.300 0.030 0.000 1.235 160 P CA 0.063 63.082 63.100 -0.135 0.000 0.772 160 P CB 0.415 32.092 31.700 -0.038 0.000 0.871 161 F N 3.238 123.245 119.950 0.095 0.000 2.563 161 F HA 0.127 4.654 4.527 0.000 0.000 0.363 161 F C 1.702 177.694 175.800 0.320 0.000 1.123 161 F CA -0.117 58.004 58.000 0.203 0.000 1.307 161 F CB 0.471 39.664 39.000 0.321 0.000 1.115 161 F HN 0.123 nan 8.300 nan 0.000 0.592 162 R N 3.159 123.958 120.500 0.497 0.000 2.799 162 R HA 0.649 4.989 4.340 0.000 0.000 0.270 162 R C -1.322 175.082 176.300 0.174 0.000 1.010 162 R CA -1.047 55.283 56.100 0.384 0.000 0.916 162 R CB 2.451 32.939 30.300 0.314 0.000 1.228 162 R HN 0.611 nan 8.270 nan 0.000 0.469 163 I N 3.076 123.696 120.570 0.084 0.000 2.499 163 I HA 0.456 4.626 4.170 0.000 0.000 0.288 163 I C 0.081 176.242 176.117 0.073 0.000 1.048 163 I CA -0.856 60.324 61.300 -0.200 0.000 1.062 163 I CB 2.106 39.710 38.000 -0.660 0.000 1.238 163 I HN 0.483 nan 8.210 nan 0.000 0.426 164 I N 2.965 123.516 120.570 -0.031 0.000 2.693 164 I HA 0.868 5.039 4.170 0.000 0.000 0.303 164 I C -0.286 175.804 176.117 -0.045 0.000 1.025 164 I CA -0.411 60.823 61.300 -0.110 0.000 1.086 164 I CB 2.191 39.834 38.000 -0.594 0.000 1.268 164 I HN 0.599 nan 8.210 nan 0.000 0.440 165 S N 2.163 117.880 115.700 0.029 0.000 2.550 165 S HA 0.826 5.296 4.470 0.000 0.000 0.270 165 S C -0.611 174.024 174.600 0.058 0.000 1.145 165 S CA -0.585 57.647 58.200 0.054 0.000 0.852 165 S CB 1.377 64.655 63.200 0.129 0.000 1.119 165 S HN 1.196 nan 8.310 nan 0.000 0.465 166 G N 0.059 108.883 108.800 0.041 0.000 2.416 166 G HA2 0.671 4.631 3.960 0.000 0.000 0.329 166 G HA3 0.671 4.631 3.960 0.000 0.000 0.329 166 G C -0.804 174.095 174.900 -0.002 0.000 1.173 166 G CA -0.589 44.531 45.100 0.034 0.000 0.929 166 G HN 1.017 nan 8.290 nan 0.000 0.475 167 S N -0.220 115.468 115.700 -0.019 0.000 2.667 167 S HA 0.396 4.866 4.470 0.000 0.000 0.292 167 S C -0.019 174.530 174.600 -0.086 0.000 1.126 167 S CA -0.654 57.493 58.200 -0.088 0.000 0.881 167 S CB 1.900 65.040 63.200 -0.100 0.000 1.132 167 S HN 0.365 nan 8.310 nan 0.000 0.492 168 D N 1.324 121.614 120.400 -0.184 0.000 2.378 168 D HA 0.024 4.664 4.640 0.000 0.000 0.227 168 D C 0.664 177.037 176.300 0.121 0.000 1.012 168 D CA 0.634 54.562 54.000 -0.119 0.000 0.905 168 D CB -0.085 40.453 40.800 -0.436 0.000 0.895 168 D HN 0.695 nan 8.370 nan 0.000 0.532 169 D N -0.819 119.587 120.400 0.010 0.000 2.325 169 D HA -0.046 4.594 4.640 0.000 0.000 0.225 169 D C 0.206 176.541 176.300 0.060 0.000 1.096 169 D CA -0.141 53.878 54.000 0.031 0.000 0.844 169 D CB -0.107 40.681 40.800 -0.021 0.000 0.925 169 D HN -0.201 nan 8.370 nan 0.000 0.513 170 N N -0.737 118.017 118.700 0.091 0.000 2.909 170 N HA -0.159 4.581 4.740 0.000 0.000 0.242 170 N C -0.211 175.369 175.510 0.118 0.000 0.975 170 N CA 1.558 54.661 53.050 0.089 0.000 0.921 170 N CB -2.124 36.401 38.487 0.063 0.000 1.112 170 N HN 0.667 nan 8.380 nan 0.000 0.581 171 T N -3.061 111.550 114.554 0.094 0.000 2.952 171 T HA 0.751 5.101 4.350 0.000 0.000 0.286 171 T C 0.081 174.862 174.700 0.135 0.000 1.024 171 T CA -0.688 61.485 62.100 0.121 0.000 1.029 171 T CB 2.641 71.552 68.868 0.071 0.000 1.094 171 T HN -0.093 nan 8.240 nan 0.000 0.515 172 V N 1.308 121.333 119.914 0.184 0.000 2.513 172 V HA 0.791 4.911 4.120 0.000 0.000 0.299 172 V C 0.272 176.419 176.094 0.089 0.000 1.035 172 V CA -0.755 61.656 62.300 0.186 0.000 0.889 172 V CB 1.112 33.112 31.823 0.294 0.000 0.988 172 V HN 1.343 nan 8.190 nan 0.000 0.440 173 A N 5.075 127.915 122.820 0.034 0.000 2.380 173 A HA 0.936 5.256 4.320 0.000 0.000 0.315 173 A C -1.078 176.407 177.584 -0.166 0.000 1.101 173 A CA -0.633 51.326 52.037 -0.130 0.000 0.771 173 A CB 1.537 20.524 19.000 -0.022 0.000 1.287 173 A HN 0.839 nan 8.150 nan 0.000 0.436 174 I N 0.737 121.050 120.570 -0.429 0.000 2.582 174 I HA 0.725 4.895 4.170 0.000 0.000 0.292 174 I C -1.864 173.950 176.117 -0.506 0.000 1.066 174 I CA -0.827 60.339 61.300 -0.223 0.000 1.053 174 I CB 1.444 39.489 38.000 0.075 0.000 1.241 174 I HN 0.576 nan 8.210 nan 0.000 0.421 175 F N 5.048 124.995 119.950 -0.006 0.000 2.546 175 F HA 0.507 5.034 4.527 0.000 0.000 0.320 175 F C -0.199 175.724 175.800 0.204 0.000 1.076 175 F CA -0.640 57.401 58.000 0.068 0.000 0.928 175 F CB 1.785 40.852 39.000 0.112 0.000 1.189 175 F HN 0.375 nan 8.300 nan 0.000 0.465 176 E N 0.839 121.266 120.200 0.379 0.000 2.227 176 E HA 0.889 5.239 4.350 0.000 0.000 0.268 176 E C -0.433 176.294 176.600 0.212 0.000 0.907 176 E CA -1.100 55.491 56.400 0.317 0.000 0.786 176 E CB 2.616 32.402 29.700 0.143 0.000 1.191 176 E HN 0.818 nan 8.360 nan 0.000 0.411 177 G N 1.228 109.996 108.800 -0.053 0.000 2.360 177 G HA2 0.257 4.217 3.960 0.000 0.000 0.276 177 G HA3 0.257 4.217 3.960 0.000 0.000 0.276 177 G C -3.053 171.460 174.900 -0.644 0.000 1.256 177 G CA -0.692 44.036 45.100 -0.619 0.000 0.890 177 G HN 0.528 nan 8.290 nan 0.000 0.486 178 P HA 0.406 nan 4.420 nan 0.000 0.279 178 P C -2.478 174.634 177.300 -0.313 0.000 1.252 178 P CA -0.994 61.633 63.100 -0.788 0.000 0.811 178 P CB 0.922 32.364 31.700 -0.430 0.000 1.035 179 P HA 0.249 nan 4.420 nan 0.000 0.276 179 P C -0.601 176.581 177.300 -0.197 0.000 1.230 179 P CA -0.133 62.867 63.100 -0.167 0.000 0.776 179 P CB 0.232 31.916 31.700 -0.027 0.000 0.888 180 F N 2.554 122.559 119.950 0.092 0.000 2.538 180 F HA 0.226 4.753 4.527 0.000 0.000 0.371 180 F C 1.395 177.284 175.800 0.148 0.000 1.087 180 F CA 0.664 58.732 58.000 0.114 0.000 1.250 180 F CB 0.479 39.510 39.000 0.052 0.000 1.110 180 F HN 0.146 nan 8.300 nan 0.000 0.570 181 K N 2.880 123.518 120.400 0.397 0.000 2.508 181 K HA 0.292 4.612 4.320 0.000 0.000 0.260 181 K C -1.253 175.644 176.600 0.496 0.000 0.949 181 K CA -1.132 55.389 56.287 0.390 0.000 0.834 181 K CB 2.177 34.811 32.500 0.224 0.000 1.365 181 K HN 0.351 nan 8.250 nan 0.000 0.437 182 F N 3.137 123.303 119.950 0.360 0.000 2.612 182 F HA -0.070 4.457 4.527 0.000 0.000 0.389 182 F C 1.133 176.869 175.800 -0.106 0.000 1.055 182 F CA 0.798 58.789 58.000 -0.015 0.000 1.232 182 F CB 0.582 39.569 39.000 -0.021 0.000 1.044 182 F HN 0.458 nan 8.300 nan 0.000 0.560 183 K N 3.197 122.932 120.400 -1.109 0.000 2.274 183 K HA 0.200 4.521 4.320 0.000 0.000 0.219 183 K C -0.192 175.656 176.600 -1.254 0.000 1.058 183 K CA 1.209 57.003 56.287 -0.821 0.000 0.920 183 K CB -0.055 32.199 32.500 -0.410 0.000 1.124 183 K HN 0.739 nan 8.250 nan 0.000 0.464 184 S N -1.331 113.527 115.700 -1.403 0.000 2.625 184 S HA 0.420 4.890 4.470 0.000 0.000 0.271 184 S C -0.831 173.196 174.600 -0.956 0.000 1.161 184 S CA -0.720 56.844 58.200 -1.059 0.000 0.820 184 S CB 1.864 64.696 63.200 -0.613 0.000 1.137 184 S HN 0.113 nan 8.310 nan 0.000 0.470 185 T N 0.698 114.876 114.554 -0.627 0.000 2.876 185 T HA 0.748 5.098 4.350 0.000 0.000 0.289 185 T C -1.903 172.404 174.700 -0.656 0.000 1.014 185 T CA -0.528 61.266 62.100 -0.511 0.000 0.986 185 T CB 0.363 69.209 68.868 -0.037 0.000 1.021 185 T HN 0.434 nan 8.240 nan 0.000 0.458 186 F N 1.775 121.767 119.950 0.070 0.000 2.520 186 F HA 0.634 5.162 4.527 0.000 0.000 0.322 186 F C 1.017 176.879 175.800 0.103 0.000 1.103 186 F CA -1.186 56.870 58.000 0.093 0.000 0.926 186 F CB 2.176 41.252 39.000 0.126 0.000 1.154 186 F HN 0.686 nan 8.300 nan 0.000 0.453 187 G N 1.555 110.505 108.800 0.250 0.000 4.433 187 G HA2 0.159 4.119 3.960 0.000 0.000 0.304 187 G HA3 0.159 4.119 3.960 0.000 0.000 0.304 187 G C 0.639 175.604 174.900 0.107 0.000 1.254 187 G CA -0.262 44.932 45.100 0.158 0.000 0.999 187 G HN 0.503 nan 8.290 nan 0.000 0.576 188 E N 0.455 120.709 120.200 0.090 0.000 2.106 188 E HA -0.051 4.299 4.350 0.000 0.000 0.192 188 E C 0.394 176.907 176.600 -0.144 0.000 0.984 188 E CA 0.680 57.035 56.400 -0.075 0.000 0.806 188 E CB 0.005 29.591 29.700 -0.191 0.000 0.750 188 E HN 0.455 nan 8.360 nan 0.000 0.458 189 H N 0.149 119.274 119.070 0.093 0.000 2.551 189 H HA 0.106 4.662 4.556 0.000 0.000 0.358 189 H C 1.299 176.637 175.328 0.017 0.000 1.151 189 H CA 0.990 57.067 56.048 0.048 0.000 1.374 189 H CB 1.192 30.988 29.762 0.057 0.000 1.473 189 H HN 0.061 nan 8.280 nan 0.000 0.574 190 T N -1.086 113.546 114.554 0.130 0.000 3.010 190 T HA 0.284 4.634 4.350 0.000 0.000 0.257 190 T C 0.517 175.200 174.700 -0.028 0.000 1.020 190 T CA -0.119 62.002 62.100 0.035 0.000 0.938 190 T CB 0.828 69.701 68.868 0.008 0.000 1.049 190 T HN 0.356 nan 8.240 nan 0.000 0.522 191 K N -0.019 120.354 120.400 -0.044 0.000 2.399 191 K HA 0.582 4.902 4.320 0.000 0.000 0.260 191 K C -1.226 175.289 176.600 -0.143 0.000 1.049 191 K CA -1.215 54.958 56.287 -0.190 0.000 0.890 191 K CB 0.910 33.270 32.500 -0.235 0.000 1.430 191 K HN -0.062 nan 8.250 nan 0.000 0.459 192 F N 1.318 121.148 119.950 -0.201 0.000 2.623 192 F HA -0.045 4.482 4.527 0.000 0.000 0.381 192 F C 0.562 176.063 175.800 -0.498 0.000 1.081 192 F CA -0.372 57.433 58.000 -0.324 0.000 1.293 192 F CB -0.222 38.539 39.000 -0.398 0.000 1.006 192 F HN -0.033 nan 8.300 nan 0.000 0.578 193 V N 4.908 124.718 119.914 -0.174 0.000 2.383 193 V HA 0.130 4.250 4.120 0.000 0.000 0.275 193 V C 0.531 176.500 176.094 -0.207 0.000 1.036 193 V CA -0.259 61.891 62.300 -0.251 0.000 0.889 193 V CB 0.935 32.699 31.823 -0.097 0.000 0.985 193 V HN 0.793 nan 8.190 nan 0.000 0.459 194 H N 1.719 120.766 119.070 -0.038 0.000 2.639 194 H HA 0.291 4.847 4.556 0.000 0.000 0.267 194 H C 0.858 176.205 175.328 0.031 0.000 0.958 194 H CA 0.540 56.598 56.048 0.017 0.000 1.221 194 H CB 0.949 30.736 29.762 0.042 0.000 1.446 194 H HN 0.583 nan 8.280 nan 0.000 0.512 195 S N 0.837 116.611 115.700 0.124 0.000 2.603 195 S HA 0.441 4.911 4.470 0.000 0.000 0.274 195 S C -1.532 173.137 174.600 0.114 0.000 1.168 195 S CA -0.743 57.526 58.200 0.116 0.000 0.963 195 S CB 0.999 64.270 63.200 0.118 0.000 1.078 195 S HN 0.145 nan 8.310 nan 0.000 0.477 196 V N 3.189 123.174 119.914 0.119 0.000 2.577 196 V HA 0.878 4.998 4.120 0.000 0.000 0.303 196 V C -0.986 175.198 176.094 0.149 0.000 1.042 196 V CA -0.759 61.620 62.300 0.132 0.000 0.872 196 V CB 1.769 33.611 31.823 0.033 0.000 0.998 196 V HN 0.829 nan 8.190 nan 0.000 0.423 197 R N 2.963 123.617 120.500 0.257 0.000 2.626 197 R HA 0.493 4.833 4.340 0.000 0.000 0.274 197 R C -1.780 174.789 176.300 0.447 0.000 1.031 197 R CA -0.532 55.775 56.100 0.344 0.000 0.898 197 R CB 2.368 32.928 30.300 0.434 0.000 1.222 197 R HN 0.883 nan 8.270 nan 0.000 0.455 198 Y N 1.484 121.925 120.300 0.235 0.000 2.307 198 Y HA 0.124 4.674 4.550 0.000 0.000 0.324 198 Y C 1.224 176.831 175.900 -0.488 0.000 1.238 198 Y CA -0.089 58.035 58.100 0.040 0.000 1.280 198 Y CB 0.997 39.465 38.460 0.014 0.000 1.248 198 Y HN 0.600 nan 8.280 nan 0.000 0.508 199 N N 2.173 120.352 118.700 -0.868 0.000 2.381 199 N HA 0.152 4.892 4.740 0.000 0.000 0.254 199 N C -2.363 172.866 175.510 -0.469 0.000 1.264 199 N CA -1.976 50.227 53.050 -1.412 0.000 0.942 199 N CB -0.158 37.337 38.487 -1.653 0.000 1.190 199 N HN 0.206 nan 8.380 nan 0.000 0.495 200 P HA -0.163 nan 4.420 nan 0.000 0.217 200 P C 0.109 177.343 177.300 -0.109 0.000 1.151 200 P CA 1.815 64.830 63.100 -0.142 0.000 0.849 200 P CB -0.032 31.607 31.700 -0.102 0.000 0.787 201 D N -3.044 117.284 120.400 -0.120 0.000 2.339 201 D HA 0.146 4.786 4.640 0.000 0.000 0.217 201 D C 1.328 177.601 176.300 -0.045 0.000 1.050 201 D CA 0.516 54.475 54.000 -0.069 0.000 0.856 201 D CB -0.938 39.829 40.800 -0.055 0.000 0.922 201 D HN 0.151 nan 8.370 nan 0.000 0.518 202 G N 0.354 109.128 108.800 -0.043 0.000 2.155 202 G HA2 -0.381 3.579 3.960 0.000 0.000 0.257 202 G HA3 -0.381 3.579 3.960 0.000 0.000 0.257 202 G C 1.229 176.228 174.900 0.166 0.000 0.983 202 G CA 0.889 46.023 45.100 0.057 0.000 0.676 202 G HN 0.659 nan 8.290 nan 0.000 0.528 203 S N -1.147 114.596 115.700 0.071 0.000 2.489 203 S HA 0.534 5.004 4.470 0.000 0.000 0.228 203 S C 0.850 175.513 174.600 0.105 0.000 0.995 203 S CA 1.006 59.254 58.200 0.079 0.000 0.934 203 S CB 0.272 63.484 63.200 0.020 0.000 0.771 203 S HN 0.787 nan 8.310 nan 0.000 0.522 204 L N 0.072 121.349 121.223 0.089 0.000 2.479 204 L HA 0.721 5.061 4.340 0.000 0.000 0.255 204 L C -1.186 175.739 176.870 0.092 0.000 1.026 204 L CA -1.394 53.481 54.840 0.058 0.000 0.842 204 L CB 2.104 44.203 42.059 0.067 0.000 1.444 204 L HN 0.331 nan 8.230 nan 0.000 0.409 205 F N -0.298 119.681 119.950 0.047 0.000 2.645 205 F HA 0.974 5.501 4.527 0.000 0.000 0.310 205 F C -1.014 175.018 175.800 0.387 0.000 1.102 205 F CA -0.990 57.028 58.000 0.029 0.000 0.952 205 F CB 1.548 40.110 39.000 -0.730 0.000 1.326 205 F HN 0.508 nan 8.300 nan 0.000 0.456 206 A N 1.191 124.434 122.820 0.705 0.000 2.469 206 A HA 0.913 5.233 4.320 0.000 0.000 0.299 206 A C -0.970 176.916 177.584 0.504 0.000 1.098 206 A CA -0.224 52.127 52.037 0.524 0.000 0.737 206 A CB 1.482 20.623 19.000 0.234 0.000 1.312 206 A HN 1.635 nan 8.150 nan 0.000 0.414 207 S N -0.245 115.764 115.700 0.516 0.000 2.599 207 S HA 0.917 5.387 4.470 0.000 0.000 0.287 207 S C -0.513 174.289 174.600 0.336 0.000 1.105 207 S CA -0.175 58.292 58.200 0.444 0.000 0.899 207 S CB 1.945 65.525 63.200 0.632 0.000 1.100 207 S HN 1.654 nan 8.310 nan 0.000 0.482 208 T N -0.384 114.213 114.554 0.072 0.000 2.749 208 T HA 0.787 5.137 4.350 0.000 0.000 0.310 208 T C -0.244 174.290 174.700 -0.276 0.000 1.496 208 T CA 0.241 62.288 62.100 -0.089 0.000 1.006 208 T CB 0.989 69.853 68.868 -0.007 0.000 1.457 208 T HN 1.769 nan 8.240 nan 0.000 0.497 209 G N 0.193 108.831 108.800 -0.271 0.000 2.474 209 G HA2 0.475 4.436 3.960 0.000 0.000 0.234 209 G HA3 0.475 4.436 3.960 0.000 0.000 0.234 209 G C 0.939 175.728 174.900 -0.184 0.000 1.204 209 G CA 0.503 45.445 45.100 -0.265 0.000 0.939 209 G HN 1.189 nan 8.290 nan 0.000 0.491 210 G N 0.384 109.044 108.800 -0.234 0.000 2.450 210 G HA2 -0.086 3.874 3.960 0.000 0.000 0.220 210 G HA3 -0.086 3.874 3.960 0.000 0.000 0.220 210 G C 1.190 176.028 174.900 -0.103 0.000 1.130 210 G CA 2.040 47.057 45.100 -0.137 0.000 0.760 210 G HN 0.853 nan 8.290 nan 0.000 0.557 211 D N -0.650 119.704 120.400 -0.075 0.000 2.378 211 D HA 0.212 4.852 4.640 0.000 0.000 0.227 211 D C 1.776 178.088 176.300 0.020 0.000 1.012 211 D CA 0.744 54.737 54.000 -0.012 0.000 0.905 211 D CB -0.664 40.164 40.800 0.047 0.000 0.895 211 D HN 0.471 nan 8.370 nan 0.000 0.532 212 G N -0.149 108.657 108.800 0.009 0.000 2.155 212 G HA2 -0.265 3.695 3.960 0.000 0.000 0.257 212 G HA3 -0.265 3.695 3.960 0.000 0.000 0.257 212 G C 0.402 175.360 174.900 0.096 0.000 0.983 212 G CA 0.807 45.943 45.100 0.060 0.000 0.676 212 G HN 0.881 nan 8.290 nan 0.000 0.528 213 T N -1.680 112.935 114.554 0.103 0.000 2.940 213 T HA 0.783 5.133 4.350 0.000 0.000 0.288 213 T C -0.162 174.619 174.700 0.135 0.000 1.033 213 T CA -0.979 61.179 62.100 0.096 0.000 1.033 213 T CB 2.565 71.483 68.868 0.083 0.000 1.079 213 T HN 0.577 nan 8.240 nan 0.000 0.496 214 I N 1.953 122.537 120.570 0.024 0.000 2.447 214 I HA 0.462 4.632 4.170 0.000 0.000 0.287 214 I C -0.815 175.338 176.117 0.059 0.000 1.023 214 I CA -1.209 60.101 61.300 0.017 0.000 1.083 214 I CB 2.156 39.988 38.000 -0.280 0.000 1.245 214 I HN 0.437 nan 8.210 nan 0.000 0.434 215 V N 6.459 126.404 119.914 0.051 0.000 2.547 215 V HA 0.445 4.565 4.120 0.000 0.000 0.299 215 V C -0.349 175.584 176.094 -0.268 0.000 1.040 215 V CA -0.756 61.406 62.300 -0.229 0.000 0.913 215 V CB 2.238 33.777 31.823 -0.474 0.000 0.992 215 V HN 0.415 nan 8.190 nan 0.000 0.449 216 L N 5.034 125.986 121.223 -0.452 0.000 2.317 216 L HA 0.671 5.011 4.340 0.000 0.000 0.281 216 L C -1.163 175.313 176.870 -0.657 0.000 1.024 216 L CA -0.030 54.627 54.840 -0.303 0.000 0.810 216 L CB 1.156 43.100 42.059 -0.191 0.000 1.240 216 L HN 0.587 nan 8.230 nan 0.000 0.427 217 Y N 2.014 122.022 120.300 -0.485 0.000 2.545 217 Y HA 0.374 4.924 4.550 0.000 0.000 0.348 217 Y C -0.054 175.474 175.900 -0.619 0.000 1.002 217 Y CA -1.095 56.564 58.100 -0.736 0.000 1.039 217 Y CB 1.299 38.903 38.460 -1.428 0.000 1.271 217 Y HN 0.653 nan 8.280 nan 0.000 0.467 218 N N 0.412 118.966 118.700 -0.243 0.000 2.475 218 N HA 0.132 4.872 4.740 0.000 0.000 0.267 218 N C 1.118 176.618 175.510 -0.017 0.000 1.169 218 N CA 0.634 53.626 53.050 -0.098 0.000 0.947 218 N CB 1.133 39.593 38.487 -0.045 0.000 1.061 218 N HN 0.896 nan 8.380 nan 0.000 0.466 219 G N 2.208 111.095 108.800 0.145 0.000 2.462 219 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 219 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 219 G C 1.147 176.370 174.900 0.538 0.000 1.121 219 G CA 0.834 46.240 45.100 0.511 0.000 0.758 219 G HN 0.509 nan 8.290 nan 0.000 0.559 220 V N 1.214 121.307 119.914 0.299 0.000 2.500 220 V HA 0.038 4.158 4.120 0.000 0.000 0.243 220 V C 2.113 178.345 176.094 0.229 0.000 1.039 220 V CA 2.373 64.819 62.300 0.243 0.000 1.053 220 V CB 0.173 32.082 31.823 0.143 0.000 0.695 220 V HN 0.551 nan 8.190 nan 0.000 0.463 221 D N -1.164 119.349 120.400 0.189 0.000 2.423 221 D HA 0.254 4.894 4.640 0.000 0.000 0.208 221 D C 1.438 177.868 176.300 0.217 0.000 1.068 221 D CA 0.836 54.943 54.000 0.179 0.000 0.860 221 D CB 0.180 41.046 40.800 0.110 0.000 0.992 221 D HN 0.590 nan 8.370 nan 0.000 0.504 222 G N 0.805 109.687 108.800 0.137 0.000 2.160 222 G HA2 -0.242 3.718 3.960 0.000 0.000 0.244 222 G HA3 -0.242 3.718 3.960 0.000 0.000 0.244 222 G C 0.296 174.875 174.900 -0.534 0.000 1.022 222 G CA 0.411 45.397 45.100 -0.190 0.000 0.741 222 G HN 0.745 nan 8.290 nan 0.000 0.508 223 T N -1.790 112.640 114.554 -0.206 0.000 2.817 223 T HA 0.563 4.913 4.350 0.000 0.000 0.293 223 T C 0.397 174.982 174.700 -0.192 0.000 0.964 223 T CA -0.206 61.799 62.100 -0.159 0.000 1.085 223 T CB 2.166 70.993 68.868 -0.068 0.000 0.921 223 T HN 0.538 nan 8.240 nan 0.000 0.502 224 K N 2.175 122.441 120.400 -0.223 0.000 2.451 224 K HA 0.063 4.383 4.320 0.000 0.000 0.280 224 K C 0.929 177.346 176.600 -0.305 0.000 1.020 224 K CA 0.320 56.367 56.287 -0.399 0.000 1.008 224 K CB 0.221 32.495 32.500 -0.377 0.000 0.917 224 K HN 0.920 nan 8.250 nan 0.000 0.478 225 T N 0.261 114.607 114.554 -0.346 0.000 3.043 225 T HA 0.366 4.717 4.350 0.000 0.000 0.272 225 T C 0.431 174.967 174.700 -0.273 0.000 0.990 225 T CA -0.022 61.931 62.100 -0.247 0.000 0.897 225 T CB 0.639 69.395 68.868 -0.187 0.000 1.111 225 T HN 0.694 nan 8.240 nan 0.000 0.529 226 G N 0.769 109.354 108.800 -0.359 0.000 2.328 226 G HA2 0.449 4.409 3.960 0.000 0.000 0.299 226 G HA3 0.449 4.409 3.960 0.000 0.000 0.299 226 G C -1.729 172.896 174.900 -0.460 0.000 1.435 226 G CA -0.197 44.674 45.100 -0.383 0.000 0.865 226 G HN 1.053 nan 8.290 nan 0.000 0.601 227 V N -2.456 117.188 119.914 -0.451 0.000 2.841 227 V HA 0.853 4.974 4.120 0.000 0.000 0.310 227 V C -0.849 174.968 176.094 -0.463 0.000 1.090 227 V CA -1.384 60.682 62.300 -0.390 0.000 0.930 227 V CB 1.660 33.337 31.823 -0.242 0.000 1.014 227 V HN 0.759 nan 8.190 nan 0.000 0.425 228 F N 1.680 121.419 119.950 -0.351 0.000 2.404 228 F HA 0.642 5.169 4.527 0.000 0.000 0.358 228 F C 0.717 176.301 175.800 -0.361 0.000 1.120 228 F CA 0.044 57.770 58.000 -0.457 0.000 1.144 228 F CB 1.063 39.425 39.000 -1.065 0.000 1.133 228 F HN 0.602 nan 8.300 nan 0.000 0.495 229 E N 1.672 121.925 120.200 0.088 0.000 2.248 229 E HA 0.134 4.484 4.350 0.000 0.000 0.267 229 E C -1.413 175.390 176.600 0.338 0.000 0.877 229 E CA -1.014 55.478 56.400 0.154 0.000 0.759 229 E CB 2.121 31.851 29.700 0.050 0.000 1.182 229 E HN 0.379 nan 8.360 nan 0.000 0.418 230 D N 2.241 122.831 120.400 0.317 0.000 2.316 230 D HA 0.029 4.670 4.640 0.000 0.000 0.245 230 D C 0.119 176.470 176.300 0.085 0.000 1.171 230 D CA -0.075 54.038 54.000 0.188 0.000 0.856 230 D CB 1.081 41.945 40.800 0.108 0.000 1.090 230 D HN 0.329 nan 8.370 nan 0.000 0.476 231 D N 1.686 122.117 120.400 0.052 0.000 2.228 231 D HA -0.128 4.512 4.640 0.000 0.000 0.203 231 D C 1.476 177.784 176.300 0.012 0.000 0.988 231 D CA 0.999 55.015 54.000 0.026 0.000 0.864 231 D CB 0.226 41.033 40.800 0.012 0.000 0.928 231 D HN 0.266 nan 8.370 nan 0.000 0.469 232 S N -0.637 115.064 115.700 0.002 0.000 2.561 232 S HA 0.106 4.576 4.470 0.000 0.000 0.225 232 S C 0.935 175.539 174.600 0.007 0.000 0.977 232 S CA 0.127 58.325 58.200 -0.003 0.000 0.926 232 S CB 0.408 63.597 63.200 -0.019 0.000 0.769 232 S HN 0.165 nan 8.310 nan 0.000 0.533 233 L N 0.325 121.560 121.223 0.020 0.000 2.260 233 L HA 0.522 4.863 4.340 0.000 0.000 0.265 233 L C -0.084 176.801 176.870 0.026 0.000 1.015 233 L CA -0.985 53.871 54.840 0.027 0.000 0.826 233 L CB 1.160 43.244 42.059 0.042 0.000 1.373 233 L HN -0.186 nan 8.230 nan 0.000 0.450 234 K N 1.531 121.945 120.400 0.023 0.000 2.299 234 K HA 0.208 4.528 4.320 0.000 0.000 0.268 234 K C -0.566 176.044 176.600 0.016 0.000 1.075 234 K CA -0.293 56.004 56.287 0.016 0.000 0.936 234 K CB 0.142 32.648 32.500 0.010 0.000 1.228 234 K HN 0.610 nan 8.250 nan 0.000 0.454 235 N N 0.866 119.574 118.700 0.014 0.000 2.721 235 N HA -0.180 4.560 4.740 0.000 0.000 0.249 235 N C -0.796 174.721 175.510 0.013 0.000 1.072 235 N CA 1.381 54.434 53.050 0.006 0.000 0.710 235 N CB -1.707 36.776 38.487 -0.007 0.000 0.993 235 N HN 0.413 nan 8.380 nan 0.000 0.547 236 V N -6.353 113.582 119.914 0.036 0.000 3.178 236 V HA 0.900 5.020 4.120 0.000 0.000 0.302 236 V C 0.703 176.848 176.094 0.086 0.000 1.262 236 V CA -0.292 62.038 62.300 0.049 0.000 1.030 236 V CB 1.775 33.633 31.823 0.057 0.000 1.074 236 V HN -0.039 nan 8.190 nan 0.000 0.438 237 A N -0.089 122.781 122.820 0.084 0.000 1.997 237 A HA 0.408 4.728 4.320 0.000 0.000 0.212 237 A C 0.893 178.525 177.584 0.079 0.000 1.178 237 A CA 0.798 52.921 52.037 0.144 0.000 0.698 237 A CB -0.287 18.634 19.000 -0.132 0.000 0.842 237 A HN 0.951 nan 8.150 nan 0.000 0.458 238 H N -1.891 117.277 119.070 0.162 0.000 2.928 238 H HA 0.348 4.904 4.556 0.000 0.000 0.371 238 H C -0.173 175.192 175.328 0.062 0.000 1.186 238 H CA -0.248 55.871 56.048 0.118 0.000 1.134 238 H CB 1.911 31.727 29.762 0.089 0.000 1.824 238 H HN 0.150 nan 8.280 nan 0.000 0.554 239 S N 0.497 116.313 115.700 0.193 0.000 2.671 239 S HA 0.244 4.715 4.470 0.000 0.000 0.220 239 S C 0.882 175.528 174.600 0.075 0.000 0.951 239 S CA 0.197 58.460 58.200 0.104 0.000 0.932 239 S CB 0.364 63.612 63.200 0.079 0.000 0.777 239 S HN 0.763 nan 8.310 nan 0.000 0.508 240 G N 0.513 109.359 108.800 0.077 0.000 2.548 240 G HA2 0.460 4.420 3.960 0.000 0.000 0.301 240 G HA3 0.460 4.420 3.960 0.000 0.000 0.301 240 G C -1.029 173.837 174.900 -0.058 0.000 1.349 240 G CA -0.672 44.435 45.100 0.011 0.000 0.792 240 G HN 0.020 nan 8.290 nan 0.000 0.481 241 S N -1.385 114.228 115.700 -0.145 0.000 2.558 241 S HA 0.280 4.750 4.470 0.000 0.000 0.293 241 S C 0.258 174.565 174.600 -0.488 0.000 1.292 241 S CA -0.234 57.771 58.200 -0.324 0.000 1.063 241 S CB 0.168 63.073 63.200 -0.492 0.000 0.831 241 S HN 0.908 nan 8.310 nan 0.000 0.499 242 V N 7.322 127.000 119.914 -0.392 0.000 2.328 242 V HA 0.343 4.463 4.120 0.000 0.000 0.278 242 V C 0.140 176.040 176.094 -0.324 0.000 1.021 242 V CA -0.399 61.700 62.300 -0.335 0.000 0.838 242 V CB 0.739 32.480 31.823 -0.136 0.000 0.999 242 V HN 0.964 nan 8.190 nan 0.000 0.447 243 F N 2.711 122.617 119.950 -0.073 0.000 2.615 243 F HA 0.474 5.001 4.527 0.000 0.000 0.297 243 F C 1.440 177.213 175.800 -0.045 0.000 1.124 243 F CA 0.535 58.462 58.000 -0.122 0.000 1.451 243 F CB 0.297 39.177 39.000 -0.200 0.000 1.103 243 F HN 0.641 nan 8.300 nan 0.000 0.569 244 G N -0.043 108.817 108.800 0.101 0.000 2.616 244 G HA2 0.528 4.488 3.960 0.000 0.000 0.294 244 G HA3 0.528 4.488 3.960 0.000 0.000 0.294 244 G C -2.175 172.758 174.900 0.054 0.000 1.489 244 G CA -0.840 44.313 45.100 0.088 0.000 0.836 244 G HN 0.044 nan 8.290 nan 0.000 0.527 245 L N -1.397 119.861 121.223 0.058 0.000 2.376 245 L HA 1.017 5.357 4.340 0.000 0.000 0.258 245 L C -0.276 176.635 176.870 0.069 0.000 1.013 245 L CA -1.097 53.755 54.840 0.021 0.000 0.822 245 L CB 1.816 43.830 42.059 -0.075 0.000 1.388 245 L HN 0.781 nan 8.230 nan 0.000 0.413 246 T N -0.397 114.198 114.554 0.069 0.000 2.932 246 T HA 0.624 4.974 4.350 0.000 0.000 0.318 246 T C -1.997 172.828 174.700 0.209 0.000 1.265 246 T CA -0.223 62.002 62.100 0.209 0.000 1.036 246 T CB 0.605 69.639 68.868 0.278 0.000 1.209 246 T HN 0.561 nan 8.240 nan 0.000 0.484 247 W N 2.941 124.343 121.300 0.170 0.000 2.381 247 W HA 0.575 5.235 4.660 0.000 0.000 0.329 247 W C 0.986 177.372 176.519 -0.220 0.000 1.157 247 W CA -0.489 56.878 57.345 0.037 0.000 1.240 247 W CB 0.962 30.430 29.460 0.012 0.000 1.199 247 W HN 0.782 nan 8.180 nan 0.000 0.579 248 S N 1.728 117.155 115.700 -0.456 0.000 2.593 248 S HA 0.206 4.676 4.470 0.000 0.000 0.269 248 S C -1.812 172.435 174.600 -0.588 0.000 1.334 248 S CA -0.859 56.467 58.200 -1.457 0.000 1.015 248 S CB 1.150 63.412 63.200 -1.564 0.000 0.912 248 S HN 0.280 nan 8.310 nan 0.000 0.541 249 P HA -0.142 nan 4.420 nan 0.000 0.216 249 P C 0.716 177.933 177.300 -0.138 0.000 1.150 249 P CA 1.619 64.590 63.100 -0.215 0.000 0.843 249 P CB -0.165 31.450 31.700 -0.141 0.000 0.787 250 D N -2.284 118.028 120.400 -0.147 0.000 2.340 250 D HA 0.086 4.726 4.640 0.000 0.000 0.220 250 D C 1.389 177.671 176.300 -0.031 0.000 1.039 250 D CA 0.627 54.584 54.000 -0.070 0.000 0.866 250 D CB -1.130 39.642 40.800 -0.046 0.000 0.913 250 D HN 0.199 nan 8.370 nan 0.000 0.523 251 G N 0.213 109.005 108.800 -0.013 0.000 2.168 251 G HA2 -0.372 3.588 3.960 0.000 0.000 0.263 251 G HA3 -0.372 3.588 3.960 0.000 0.000 0.263 251 G C 1.142 176.190 174.900 0.246 0.000 0.977 251 G CA 1.182 46.367 45.100 0.142 0.000 0.659 251 G HN 0.629 nan 8.290 nan 0.000 0.533 252 T N -2.962 111.663 114.554 0.118 0.000 3.067 252 T HA 0.420 4.770 4.350 0.000 0.000 0.257 252 T C 0.892 175.683 174.700 0.152 0.000 1.105 252 T CA 1.261 63.442 62.100 0.136 0.000 1.104 252 T CB 0.498 69.412 68.868 0.076 0.000 0.925 252 T HN 0.540 nan 8.240 nan 0.000 0.498 253 K N 0.090 120.544 120.400 0.089 0.000 2.443 253 K HA 0.742 5.062 4.320 0.000 0.000 0.251 253 K C -1.386 175.232 176.600 0.031 0.000 0.972 253 K CA -0.901 55.449 56.287 0.104 0.000 0.833 253 K CB 2.624 35.227 32.500 0.171 0.000 1.317 253 K HN 0.075 nan 8.250 nan 0.000 0.441 254 I N 1.180 121.776 120.570 0.043 0.000 2.582 254 I HA 0.472 4.642 4.170 0.000 0.000 0.292 254 I C -0.978 175.272 176.117 0.220 0.000 1.066 254 I CA -0.895 60.334 61.300 -0.118 0.000 1.053 254 I CB 2.158 39.736 38.000 -0.703 0.000 1.241 254 I HN 0.671 nan 8.210 nan 0.000 0.421 255 A N 4.063 127.038 122.820 0.259 0.000 2.342 255 A HA 0.837 5.157 4.320 0.000 0.000 0.323 255 A C -0.479 177.192 177.584 0.145 0.000 1.125 255 A CA -0.467 51.694 52.037 0.206 0.000 0.785 255 A CB 1.322 20.352 19.000 0.051 0.000 1.221 255 A HN 0.687 nan 8.150 nan 0.000 0.463 256 S N 0.741 116.574 115.700 0.221 0.000 2.536 256 S HA 0.853 5.323 4.470 0.000 0.000 0.298 256 S C -0.391 174.282 174.600 0.122 0.000 1.083 256 S CA -0.174 58.144 58.200 0.197 0.000 0.995 256 S CB 1.844 65.271 63.200 0.379 0.000 1.058 256 S HN 1.888 nan 8.310 nan 0.000 0.488 257 A N 1.322 124.144 122.820 0.003 0.000 2.318 257 A HA 0.843 5.163 4.320 0.000 0.000 0.317 257 A C -0.115 177.373 177.584 -0.159 0.000 1.159 257 A CA -0.690 51.317 52.037 -0.049 0.000 0.799 257 A CB 1.336 20.333 19.000 -0.004 0.000 1.194 257 A HN 1.057 nan 8.150 nan 0.000 0.479 258 S N 1.099 116.653 115.700 -0.244 0.000 2.599 258 S HA 0.607 5.077 4.470 0.000 0.000 0.287 258 S C 0.985 175.560 174.600 -0.040 0.000 1.105 258 S CA 0.169 58.189 58.200 -0.301 0.000 0.899 258 S CB 1.655 64.374 63.200 -0.802 0.000 1.100 258 S HN 1.702 nan 8.310 nan 0.000 0.482 259 A N 1.699 124.531 122.820 0.019 0.000 2.178 259 A HA -0.024 4.296 4.320 0.000 0.000 0.218 259 A C 1.258 178.875 177.584 0.055 0.000 1.157 259 A CA 1.706 53.827 52.037 0.140 0.000 0.689 259 A CB -0.803 18.309 19.000 0.187 0.000 0.787 259 A HN 0.907 nan 8.150 nan 0.000 0.465 260 D N -0.598 119.816 120.400 0.024 0.000 2.338 260 D HA -0.043 4.598 4.640 0.000 0.000 0.239 260 D C 0.307 176.635 176.300 0.046 0.000 1.095 260 D CA 0.292 54.323 54.000 0.053 0.000 0.888 260 D CB -0.761 40.103 40.800 0.106 0.000 0.899 260 D HN 0.475 nan 8.370 nan 0.000 0.525 261 K N -0.963 119.452 120.400 0.027 0.000 3.129 261 K HA -0.167 4.153 4.320 0.000 0.000 0.273 261 K C -0.175 176.432 176.600 0.013 0.000 1.123 261 K CA 1.109 57.401 56.287 0.010 0.000 0.800 261 K CB -2.812 29.690 32.500 0.004 0.000 1.238 261 K HN 0.614 nan 8.250 nan 0.000 0.492 262 T N -2.404 112.169 114.554 0.032 0.000 2.864 262 T HA 0.775 5.125 4.350 0.000 0.000 0.299 262 T C -0.522 174.218 174.700 0.067 0.000 1.166 262 T CA -1.066 61.063 62.100 0.049 0.000 1.007 262 T CB 2.183 71.105 68.868 0.090 0.000 1.219 262 T HN 0.148 nan 8.240 nan 0.000 0.506 263 I N 1.150 121.745 120.570 0.042 0.000 2.465 263 I HA 0.520 4.690 4.170 0.000 0.000 0.291 263 I C -0.204 175.923 176.117 0.016 0.000 1.014 263 I CA -0.818 60.502 61.300 0.034 0.000 1.093 263 I CB 2.125 40.095 38.000 -0.049 0.000 1.267 263 I HN 0.524 nan 8.210 nan 0.000 0.431 264 K N 6.076 126.511 120.400 0.058 0.000 2.316 264 K HA 0.632 4.952 4.320 0.000 0.000 0.251 264 K C -1.211 175.243 176.600 -0.244 0.000 0.934 264 K CA -0.829 55.333 56.287 -0.208 0.000 0.802 264 K CB 2.458 34.699 32.500 -0.432 0.000 1.171 264 K HN 0.344 nan 8.250 nan 0.000 0.426 265 I N 2.639 122.992 120.570 -0.362 0.000 2.339 265 I HA 0.301 4.471 4.170 0.000 0.000 0.290 265 I C -0.844 175.100 176.117 -0.288 0.000 0.994 265 I CA -0.720 60.485 61.300 -0.158 0.000 1.191 265 I CB 0.512 38.470 38.000 -0.069 0.000 1.343 265 I HN 0.512 nan 8.210 nan 0.000 0.458 266 W N 4.679 125.968 121.300 -0.019 0.000 2.627 266 W HA 0.395 5.055 4.660 0.000 0.000 0.339 266 W C 0.603 177.162 176.519 0.066 0.000 1.058 266 W CA -0.544 56.795 57.345 -0.011 0.000 1.223 266 W CB 0.718 30.066 29.460 -0.185 0.000 1.389 266 W HN 0.379 nan 8.180 nan 0.000 0.541 267 N N 1.636 120.555 118.700 0.364 0.000 2.414 267 N HA 0.095 4.835 4.740 0.000 0.000 0.256 267 N C 0.627 176.353 175.510 0.360 0.000 1.029 267 N CA -0.019 53.196 53.050 0.274 0.000 0.948 267 N CB 1.663 40.258 38.487 0.180 0.000 1.102 267 N HN 0.355 nan 8.380 nan 0.000 0.496 268 V N 4.100 124.211 119.914 0.329 0.000 2.332 268 V HA -0.254 3.866 4.120 0.000 0.000 0.248 268 V C 2.400 178.604 176.094 0.185 0.000 1.055 268 V CA 2.293 64.808 62.300 0.359 0.000 1.038 268 V CB -0.923 31.109 31.823 0.349 0.000 0.651 268 V HN 0.791 nan 8.190 nan 0.000 0.450 269 A N 0.918 123.823 122.820 0.141 0.000 1.858 269 A HA -0.220 4.100 4.320 0.000 0.000 0.216 269 A C 2.440 180.044 177.584 0.033 0.000 1.190 269 A CA 2.589 54.669 52.037 0.072 0.000 0.617 269 A CB -0.979 18.062 19.000 0.068 0.000 0.827 269 A HN 0.630 nan 8.150 nan 0.000 0.443 270 T N -3.263 111.327 114.554 0.061 0.000 3.100 270 T HA 0.319 4.669 4.350 0.000 0.000 0.253 270 T C 0.746 175.461 174.700 0.026 0.000 1.118 270 T CA 0.546 62.669 62.100 0.039 0.000 1.058 270 T CB -0.492 68.412 68.868 0.060 0.000 0.953 270 T HN 0.653 nan 8.240 nan 0.000 0.515 271 L N -0.698 120.547 121.223 0.036 0.000 4.179 271 L HA -0.169 4.171 4.340 0.000 0.000 0.418 271 L C -0.433 176.586 176.870 0.248 0.000 1.168 271 L CA 0.592 55.388 54.840 -0.073 0.000 0.972 271 L CB -1.412 40.414 42.059 -0.387 0.000 2.005 271 L HN 0.335 nan 8.230 nan 0.000 0.935 272 K N 0.102 120.703 120.400 0.336 0.000 2.267 272 K HA 0.606 4.926 4.320 0.000 0.000 0.246 272 K C -0.187 176.606 176.600 0.321 0.000 0.954 272 K CA -0.721 55.766 56.287 0.333 0.000 0.824 272 K CB 2.448 35.032 32.500 0.139 0.000 1.167 272 K HN -0.128 nan 8.250 nan 0.000 0.431 273 V N 2.294 122.212 119.914 0.007 0.000 2.572 273 V HA 0.001 4.121 4.120 0.000 0.000 0.291 273 V C 0.927 176.860 176.094 -0.269 0.000 1.039 273 V CA 0.699 62.661 62.300 -0.564 0.000 1.055 273 V CB 0.358 31.563 31.823 -1.029 0.000 0.969 273 V HN 0.722 nan 8.190 nan 0.000 0.482 274 E N 4.481 124.539 120.200 -0.237 0.000 2.166 274 E HA 0.189 4.539 4.350 0.000 0.000 0.192 274 E C -0.144 176.365 176.600 -0.151 0.000 0.967 274 E CA 0.462 56.791 56.400 -0.119 0.000 0.840 274 E CB 0.407 30.083 29.700 -0.039 0.000 0.795 274 E HN 0.642 nan 8.360 nan 0.000 0.470 275 K N 0.376 120.640 120.400 -0.227 0.000 2.557 275 K HA 0.303 4.623 4.320 0.000 0.000 0.257 275 K C -1.425 175.024 176.600 -0.251 0.000 0.933 275 K CA -0.324 55.847 56.287 -0.193 0.000 0.820 275 K CB 2.444 34.869 32.500 -0.125 0.000 1.330 275 K HN -0.186 nan 8.250 nan 0.000 0.432 276 T N 2.808 117.243 114.554 -0.199 0.000 2.771 276 T HA 0.492 4.842 4.350 0.000 0.000 0.281 276 T C -0.176 174.459 174.700 -0.109 0.000 0.982 276 T CA -0.498 61.496 62.100 -0.175 0.000 0.978 276 T CB 0.360 69.135 68.868 -0.155 0.000 0.930 276 T HN 0.341 nan 8.240 nan 0.000 0.447 277 I N 6.427 126.945 120.570 -0.086 0.000 2.405 277 I HA 0.293 4.463 4.170 0.000 0.000 0.280 277 I C -2.201 173.890 176.117 -0.043 0.000 1.027 277 I CA -2.426 58.834 61.300 -0.067 0.000 1.161 277 I CB 1.642 39.594 38.000 -0.079 0.000 1.300 277 I HN 0.293 nan 8.210 nan 0.000 0.463 278 P HA 0.123 nan 4.420 nan 0.000 0.281 278 P C 0.583 177.866 177.300 -0.028 0.000 1.252 278 P CA -0.158 62.927 63.100 -0.023 0.000 0.778 278 P CB 2.482 34.168 31.700 -0.022 0.000 0.895 279 V N 2.341 122.239 119.914 -0.026 0.000 2.725 279 V HA 0.280 4.400 4.120 0.000 0.000 0.247 279 V C 1.325 177.400 176.094 -0.032 0.000 1.058 279 V CA 1.774 64.057 62.300 -0.030 0.000 1.080 279 V CB -0.636 31.168 31.823 -0.033 0.000 0.713 279 V HN 0.955 nan 8.190 nan 0.000 0.465 280 G N -0.596 108.185 108.800 -0.032 0.000 2.315 280 G HA2 0.310 4.270 3.960 0.000 0.000 0.294 280 G HA3 0.310 4.270 3.960 0.000 0.000 0.294 280 G C 0.153 175.036 174.900 -0.029 0.000 1.300 280 G CA 0.353 45.429 45.100 -0.040 0.000 0.843 280 G HN 0.098 nan 8.290 nan 0.000 0.527 281 T N -1.889 112.650 114.554 -0.026 0.000 3.069 281 T HA 0.319 4.669 4.350 0.000 0.000 0.252 281 T C 0.823 175.519 174.700 -0.006 0.000 1.053 281 T CA 0.062 62.156 62.100 -0.009 0.000 0.964 281 T CB -0.006 68.863 68.868 0.001 0.000 1.005 281 T HN 0.517 nan 8.240 nan 0.000 0.532 282 R N 0.367 120.855 120.500 -0.020 0.000 2.528 282 R HA 0.507 4.847 4.340 0.000 0.000 0.271 282 R C 1.200 177.487 176.300 -0.022 0.000 1.056 282 R CA -0.564 55.529 56.100 -0.012 0.000 1.117 282 R CB 1.146 31.433 30.300 -0.021 0.000 1.085 282 R HN 0.099 nan 8.270 nan 0.000 0.530 283 I N 1.311 121.873 120.570 -0.012 0.000 2.454 283 I HA -0.247 3.924 4.170 0.000 0.000 0.254 283 I C 0.909 176.995 176.117 -0.052 0.000 1.156 283 I CA 1.612 62.901 61.300 -0.018 0.000 1.433 283 I CB 0.173 38.170 38.000 -0.005 0.000 1.082 283 I HN 0.616 nan 8.210 nan 0.000 0.432 284 E N 0.790 120.945 120.200 -0.076 0.000 2.338 284 E HA -0.175 4.175 4.350 0.000 0.000 0.197 284 E C 1.247 177.746 176.600 -0.169 0.000 1.007 284 E CA 0.813 57.124 56.400 -0.149 0.000 0.849 284 E CB -0.134 29.452 29.700 -0.190 0.000 0.774 284 E HN 0.520 nan 8.360 nan 0.000 0.506 285 D N 0.443 120.777 120.400 -0.110 0.000 2.340 285 D HA -0.025 4.615 4.640 0.000 0.000 0.220 285 D C 0.015 176.275 176.300 -0.066 0.000 1.039 285 D CA 0.195 54.140 54.000 -0.091 0.000 0.866 285 D CB 0.073 40.835 40.800 -0.064 0.000 0.913 285 D HN 0.300 nan 8.370 nan 0.000 0.523 286 Q N 0.982 120.747 119.800 -0.059 0.000 2.361 286 Q HA 0.052 4.392 4.340 0.000 0.000 0.276 286 Q C 0.160 176.130 176.000 -0.049 0.000 1.022 286 Q CA 0.299 56.089 55.803 -0.023 0.000 0.898 286 Q CB 0.701 29.439 28.738 0.001 0.000 1.246 286 Q HN 0.011 nan 8.270 nan 0.000 0.410 287 Q N 2.456 122.249 119.800 -0.011 0.000 2.303 287 Q HA 0.223 4.563 4.340 0.000 0.000 0.257 287 Q C 0.375 176.379 176.000 0.006 0.000 0.941 287 Q CA -0.022 55.762 55.803 -0.032 0.000 0.931 287 Q CB 1.223 29.944 28.738 -0.029 0.000 1.215 287 Q HN 0.646 nan 8.270 nan 0.000 0.437 288 L N -0.004 121.155 121.223 -0.107 0.000 2.616 288 L HA 0.408 4.748 4.340 0.000 0.000 0.229 288 L C 0.875 177.682 176.870 -0.105 0.000 1.110 288 L CA -0.015 54.693 54.840 -0.220 0.000 0.884 288 L CB 0.629 42.449 42.059 -0.399 0.000 1.115 288 L HN 0.584 nan 8.230 nan 0.000 0.481 289 G N 0.118 108.884 108.800 -0.057 0.000 2.673 289 G HA2 0.637 4.597 3.960 0.000 0.000 0.292 289 G HA3 0.637 4.597 3.960 0.000 0.000 0.292 289 G C -1.981 172.904 174.900 -0.025 0.000 1.450 289 G CA -0.276 44.810 45.100 -0.022 0.000 0.837 289 G HN -0.119 nan 8.290 nan 0.000 0.505 290 I N -0.116 120.456 120.570 0.004 0.000 2.882 290 I HA 0.765 4.935 4.170 0.000 0.000 0.298 290 I C -1.927 174.213 176.117 0.037 0.000 1.462 290 I CA -1.099 60.194 61.300 -0.011 0.000 1.000 290 I CB 2.259 40.253 38.000 -0.010 0.000 1.340 290 I HN 0.650 nan 8.210 nan 0.000 0.462 291 I N 5.427 126.014 120.570 0.028 0.000 2.743 291 I HA 0.340 4.510 4.170 0.000 0.000 0.292 291 I C -2.182 174.023 176.117 0.147 0.000 1.343 291 I CA -0.324 61.041 61.300 0.109 0.000 1.038 291 I CB 2.014 40.072 38.000 0.097 0.000 1.311 291 I HN 0.633 nan 8.210 nan 0.000 0.426 292 W N 7.976 129.310 121.300 0.057 0.000 2.318 292 W HA 0.517 5.177 4.660 0.000 0.000 0.315 292 W C -0.401 176.162 176.519 0.073 0.000 1.033 292 W CA -0.559 56.824 57.345 0.062 0.000 1.275 292 W CB 1.514 31.026 29.460 0.086 0.000 1.250 292 W HN 0.613 nan 8.180 nan 0.000 0.421 293 T N 1.194 116.009 114.554 0.435 0.000 2.937 293 T HA 0.381 4.731 4.350 0.000 0.000 0.283 293 T C 0.909 175.768 174.700 0.265 0.000 1.012 293 T CA -0.646 61.610 62.100 0.261 0.000 0.997 293 T CB 1.910 70.881 68.868 0.171 0.000 1.136 293 T HN 0.391 nan 8.240 nan 0.000 0.551 294 K N -0.110 120.376 120.400 0.144 0.000 2.519 294 K HA -0.022 4.298 4.320 0.000 0.000 0.196 294 K C 1.755 178.438 176.600 0.138 0.000 1.041 294 K CA 1.153 57.505 56.287 0.108 0.000 0.954 294 K CB -0.012 32.520 32.500 0.054 0.000 0.774 294 K HN 0.574 nan 8.250 nan 0.000 0.480 295 Q N -1.331 118.569 119.800 0.165 0.000 2.157 295 Q HA 0.278 4.618 4.340 0.000 0.000 0.235 295 Q C -0.707 175.405 176.000 0.187 0.000 0.803 295 Q CA -0.249 55.646 55.803 0.154 0.000 0.967 295 Q CB 1.752 30.559 28.738 0.116 0.000 1.150 295 Q HN 0.190 nan 8.270 nan 0.000 0.482 296 A N 0.837 123.791 122.820 0.223 0.000 2.590 296 A HA 0.524 4.845 4.320 0.000 0.000 0.294 296 A C -2.339 175.287 177.584 0.070 0.000 1.046 296 A CA -0.685 51.456 52.037 0.174 0.000 0.684 296 A CB 1.007 20.143 19.000 0.228 0.000 1.279 296 A HN 0.079 nan 8.150 nan 0.000 0.415 297 L N 1.900 123.025 121.223 -0.163 0.000 2.298 297 L HA 0.785 5.125 4.340 0.000 0.000 0.284 297 L C -1.247 175.415 176.870 -0.346 0.000 1.013 297 L CA -0.355 54.219 54.840 -0.444 0.000 0.824 297 L CB 1.374 42.835 42.059 -0.996 0.000 1.221 297 L HN 0.550 nan 8.230 nan 0.000 0.418 298 V N 3.807 123.531 119.914 -0.316 0.000 2.604 298 V HA 0.690 4.810 4.120 0.000 0.000 0.305 298 V C -0.212 175.722 176.094 -0.267 0.000 1.043 298 V CA -0.483 61.572 62.300 -0.409 0.000 0.888 298 V CB 1.881 33.393 31.823 -0.518 0.000 0.995 298 V HN 0.825 nan 8.190 nan 0.000 0.429 299 S N 4.311 119.858 115.700 -0.255 0.000 2.526 299 S HA 0.741 5.211 4.470 0.000 0.000 0.293 299 S C -0.999 173.502 174.600 -0.165 0.000 1.092 299 S CA -0.609 57.490 58.200 -0.168 0.000 0.980 299 S CB 0.999 64.117 63.200 -0.137 0.000 1.048 299 S HN 0.476 nan 8.310 nan 0.000 0.483 300 I N 3.650 124.136 120.570 -0.140 0.000 2.354 300 I HA 0.370 4.540 4.170 0.000 0.000 0.292 300 I C 0.685 176.717 176.117 -0.142 0.000 0.989 300 I CA -0.403 60.805 61.300 -0.152 0.000 1.188 300 I CB 1.111 39.008 38.000 -0.172 0.000 1.342 300 I HN 0.495 nan 8.210 nan 0.000 0.457 301 S N 3.841 119.456 115.700 -0.141 0.000 2.603 301 S HA 0.350 4.820 4.470 0.000 0.000 0.268 301 S C 1.388 175.856 174.600 -0.221 0.000 1.317 301 S CA -0.149 57.950 58.200 -0.168 0.000 1.012 301 S CB 1.559 64.650 63.200 -0.182 0.000 0.926 301 S HN 0.768 nan 8.310 nan 0.000 0.539 302 A N 1.986 124.674 122.820 -0.220 0.000 2.070 302 A HA -0.148 4.172 4.320 0.000 0.000 0.220 302 A C 1.561 178.990 177.584 -0.259 0.000 1.159 302 A CA 1.739 53.641 52.037 -0.224 0.000 0.656 302 A CB -0.776 18.115 19.000 -0.182 0.000 0.800 302 A HN 0.863 nan 8.150 nan 0.000 0.453 303 N N -1.678 116.794 118.700 -0.381 0.000 2.398 303 N HA 0.286 5.027 4.740 0.000 0.000 0.188 303 N C 1.031 176.257 175.510 -0.472 0.000 1.122 303 N CA 1.183 53.921 53.050 -0.520 0.000 0.866 303 N CB -0.094 37.844 38.487 -0.914 0.000 0.970 303 N HN 0.648 nan 8.380 nan 0.000 0.462 304 G N -1.165 107.444 108.800 -0.318 0.000 2.234 304 G HA2 -0.260 3.700 3.960 0.000 0.000 0.235 304 G HA3 -0.260 3.700 3.960 0.000 0.000 0.235 304 G C -0.183 174.692 174.900 -0.041 0.000 0.997 304 G CA -0.091 44.902 45.100 -0.178 0.000 0.623 304 G HN 0.218 nan 8.290 nan 0.000 0.514 305 F N 1.362 121.207 119.950 -0.176 0.000 2.602 305 F HA 0.427 4.954 4.527 0.000 0.000 0.367 305 F C 1.392 177.048 175.800 -0.239 0.000 1.126 305 F CA -1.036 56.836 58.000 -0.213 0.000 1.321 305 F CB 0.178 39.056 39.000 -0.203 0.000 1.094 305 F HN 0.019 nan 8.300 nan 0.000 0.594 306 I N 4.369 124.904 120.570 -0.059 0.000 2.307 306 I HA 0.191 4.361 4.170 0.000 0.000 0.289 306 I C -0.213 175.824 176.117 -0.133 0.000 1.021 306 I CA -0.458 60.759 61.300 -0.139 0.000 1.224 306 I CB 0.442 38.385 38.000 -0.096 0.000 1.376 306 I HN 0.378 nan 8.210 nan 0.000 0.470 307 N N 6.948 125.541 118.700 -0.177 0.000 2.425 307 N HA 0.342 5.082 4.740 0.000 0.000 0.268 307 N C -0.989 174.401 175.510 -0.200 0.000 0.991 307 N CA -0.370 52.610 53.050 -0.116 0.000 0.931 307 N CB 1.466 39.895 38.487 -0.097 0.000 1.130 307 N HN 0.281 nan 8.380 nan 0.000 0.493 308 F N 1.251 121.127 119.950 -0.124 0.000 2.404 308 F HA 0.238 4.765 4.527 0.000 0.000 0.358 308 F C 0.637 176.362 175.800 -0.125 0.000 1.120 308 F CA -0.685 57.247 58.000 -0.114 0.000 1.144 308 F CB 0.867 39.810 39.000 -0.095 0.000 1.133 308 F HN 0.049 nan 8.300 nan 0.000 0.495 309 V N 3.568 123.445 119.914 -0.063 0.000 2.439 309 V HA 0.201 4.321 4.120 0.000 0.000 0.282 309 V C -0.014 176.014 176.094 -0.111 0.000 1.039 309 V CA -1.080 61.151 62.300 -0.115 0.000 0.913 309 V CB 1.565 33.257 31.823 -0.219 0.000 0.983 309 V HN 0.741 nan 8.190 nan 0.000 0.460 310 N N 6.495 125.151 118.700 -0.073 0.000 2.558 310 N HA 0.254 4.994 4.740 0.000 0.000 0.233 310 N C -1.379 174.088 175.510 -0.071 0.000 1.038 310 N CA -1.631 51.391 53.050 -0.047 0.000 0.934 310 N CB 1.485 39.961 38.487 -0.019 0.000 1.175 310 N HN 0.415 nan 8.380 nan 0.000 0.512 311 P HA -0.170 nan 4.420 nan 0.000 0.219 311 P C 0.445 177.755 177.300 0.016 0.000 1.146 311 P CA 1.208 64.262 63.100 -0.076 0.000 0.808 311 P CB 0.437 32.103 31.700 -0.056 0.000 0.779 312 E N 0.326 120.551 120.200 0.042 0.000 2.046 312 E HA -0.029 4.321 4.350 0.000 0.000 0.190 312 E C 2.216 178.823 176.600 0.012 0.000 0.982 312 E CA 0.950 57.376 56.400 0.044 0.000 0.800 312 E CB -0.720 29.011 29.700 0.052 0.000 0.756 312 E HN 0.378 nan 8.360 nan 0.000 0.449 313 L N -0.157 121.065 121.223 -0.002 0.000 2.558 313 L HA 0.182 4.522 4.340 0.000 0.000 0.225 313 L C 1.007 177.859 176.870 -0.030 0.000 1.128 313 L CA 0.299 55.131 54.840 -0.013 0.000 0.868 313 L CB -0.295 41.757 42.059 -0.012 0.000 1.006 313 L HN 0.174 nan 8.230 nan 0.000 0.454 314 G N 1.490 110.265 108.800 -0.042 0.000 2.338 314 G HA2 -0.270 3.690 3.960 0.000 0.000 0.296 314 G HA3 -0.270 3.690 3.960 0.000 0.000 0.296 314 G C 0.174 175.039 174.900 -0.059 0.000 1.040 314 G CA 0.529 45.592 45.100 -0.063 0.000 1.004 314 G HN 0.519 nan 8.290 nan 0.000 0.509 315 S N -1.464 114.203 115.700 -0.055 0.000 2.685 315 S HA 0.803 5.273 4.470 0.000 0.000 0.282 315 S C -0.332 174.239 174.600 -0.047 0.000 1.159 315 S CA -1.212 56.960 58.200 -0.047 0.000 0.833 315 S CB 2.051 65.230 63.200 -0.034 0.000 1.151 315 S HN 0.626 nan 8.310 nan 0.000 0.485 316 I N 2.037 122.584 120.570 -0.038 0.000 2.304 316 I HA 0.262 4.432 4.170 0.000 0.000 0.291 316 I C 0.642 176.749 176.117 -0.017 0.000 1.018 316 I CA -0.414 60.869 61.300 -0.029 0.000 1.260 316 I CB 1.011 38.993 38.000 -0.030 0.000 1.390 316 I HN 0.770 nan 8.210 nan 0.000 0.475 317 D N 4.244 124.645 120.400 0.001 0.000 2.137 317 D HA -0.077 4.563 4.640 0.000 0.000 0.202 317 D C 0.554 176.833 176.300 -0.035 0.000 0.970 317 D CA 1.308 55.303 54.000 -0.009 0.000 0.837 317 D CB 0.614 41.421 40.800 0.011 0.000 0.981 317 D HN 0.649 nan 8.370 nan 0.000 0.475 318 Q N -0.497 119.300 119.800 -0.005 0.000 2.435 318 Q HA 0.444 4.784 4.340 0.000 0.000 0.282 318 Q C -2.147 173.849 176.000 -0.005 0.000 1.020 318 Q CA -0.653 55.102 55.803 -0.080 0.000 0.820 318 Q CB 2.326 30.893 28.738 -0.285 0.000 1.436 318 Q HN -0.168 nan 8.270 nan 0.000 0.395 319 V N 2.542 122.355 119.914 -0.168 0.000 2.623 319 V HA 0.543 4.664 4.120 0.000 0.000 0.304 319 V C -0.801 174.896 176.094 -0.661 0.000 1.054 319 V CA -0.734 61.347 62.300 -0.364 0.000 0.882 319 V CB 1.842 33.340 31.823 -0.542 0.000 1.002 319 V HN 0.738 nan 8.190 nan 0.000 0.424 320 R N 3.489 123.701 120.500 -0.480 0.000 2.312 320 R HA 0.640 4.980 4.340 0.000 0.000 0.311 320 R C -1.219 174.667 176.300 -0.690 0.000 1.004 320 R CA -0.351 55.485 56.100 -0.440 0.000 0.902 320 R CB 1.512 31.774 30.300 -0.063 0.000 1.073 320 R HN 0.655 nan 8.270 nan 0.000 0.457 321 Y N -0.006 120.028 120.300 -0.443 0.000 2.679 321 Y HA 0.729 5.279 4.550 0.000 0.000 0.331 321 Y C 1.302 176.992 175.900 -0.351 0.000 1.183 321 Y CA -0.117 57.602 58.100 -0.634 0.000 1.290 321 Y CB 1.571 39.504 38.460 -0.879 0.000 1.489 321 Y HN 0.755 nan 8.280 nan 0.000 0.583 322 G N -1.135 107.582 108.800 -0.138 0.000 2.366 322 G HA2 0.157 4.117 3.960 0.000 0.000 0.190 322 G HA3 0.157 4.117 3.960 0.000 0.000 0.190 322 G C -1.876 172.964 174.900 -0.099 0.000 1.299 322 G CA -0.956 44.167 45.100 0.038 0.000 1.056 322 G HN 0.645 nan 8.290 nan 0.000 0.468 323 H N 0.395 119.651 119.070 0.310 0.000 2.930 323 H HA 0.440 4.997 4.556 0.000 0.000 0.371 323 H C -0.041 175.383 175.328 0.160 0.000 1.169 323 H CA -0.102 56.088 56.048 0.235 0.000 1.157 323 H CB 2.113 32.026 29.762 0.251 0.000 1.789 323 H HN 0.613 nan 8.280 nan 0.000 0.547 324 N N 0.087 118.937 118.700 0.250 0.000 2.159 324 N HA 0.038 4.778 4.740 0.000 0.000 0.217 324 N C -0.186 175.412 175.510 0.147 0.000 1.223 324 N CA -0.224 52.915 53.050 0.149 0.000 0.896 324 N CB 0.878 39.404 38.487 0.065 0.000 1.064 324 N HN 0.157 nan 8.380 nan 0.000 0.518 325 K N 0.654 121.165 120.400 0.184 0.000 2.238 325 K HA 0.642 4.962 4.320 0.000 0.000 0.239 325 K C -0.397 176.255 176.600 0.087 0.000 0.987 325 K CA -0.908 55.458 56.287 0.132 0.000 0.857 325 K CB 1.583 34.172 32.500 0.148 0.000 1.154 325 K HN 0.134 nan 8.250 nan 0.000 0.439 326 A N 2.055 124.898 122.820 0.038 0.000 2.566 326 A HA 0.101 4.421 4.320 0.000 0.000 0.245 326 A C 0.302 177.838 177.584 -0.080 0.000 1.056 326 A CA 0.126 52.155 52.037 -0.013 0.000 0.757 326 A CB -0.774 18.212 19.000 -0.022 0.000 0.979 326 A HN 0.593 nan 8.150 nan 0.000 0.508 327 I N 2.966 123.459 120.570 -0.129 0.000 2.496 327 I HA 0.124 4.294 4.170 0.000 0.000 0.285 327 I C 1.463 177.494 176.117 -0.143 0.000 1.080 327 I CA 0.434 61.607 61.300 -0.211 0.000 1.404 327 I CB 1.319 39.184 38.000 -0.225 0.000 1.403 327 I HN 0.867 nan 8.210 nan 0.000 0.539 328 T N 1.642 116.117 114.554 -0.131 0.000 3.010 328 T HA 0.588 4.938 4.350 0.000 0.000 0.257 328 T C 0.209 174.860 174.700 -0.082 0.000 1.020 328 T CA -0.156 61.871 62.100 -0.121 0.000 0.938 328 T CB 0.519 69.284 68.868 -0.173 0.000 1.049 328 T HN 0.653 nan 8.240 nan 0.000 0.522 329 A N 0.702 123.496 122.820 -0.042 0.000 2.605 329 A HA 0.753 5.073 4.320 0.000 0.000 0.294 329 A C -1.941 175.681 177.584 0.064 0.000 1.062 329 A CA -0.903 51.139 52.037 0.009 0.000 0.682 329 A CB 1.031 20.043 19.000 0.018 0.000 1.278 329 A HN 0.320 nan 8.150 nan 0.000 0.410 330 L N 0.448 121.721 121.223 0.084 0.000 2.415 330 L HA 0.882 5.222 4.340 0.000 0.000 0.256 330 L C -0.248 176.715 176.870 0.154 0.000 1.010 330 L CA -0.733 54.187 54.840 0.134 0.000 0.826 330 L CB 2.478 44.581 42.059 0.073 0.000 1.405 330 L HN 0.770 nan 8.230 nan 0.000 0.410 331 S N 0.488 116.321 115.700 0.223 0.000 2.562 331 S HA 0.631 5.101 4.470 0.000 0.000 0.274 331 S C -1.193 173.602 174.600 0.325 0.000 1.160 331 S CA -0.492 57.852 58.200 0.241 0.000 0.933 331 S CB 1.639 64.972 63.200 0.222 0.000 1.100 331 S HN 0.679 nan 8.310 nan 0.000 0.468 332 S N 2.812 118.673 115.700 0.269 0.000 2.537 332 S HA 0.768 5.238 4.470 0.000 0.000 0.301 332 S C 0.230 174.993 174.600 0.272 0.000 1.092 332 S CA -0.551 57.817 58.200 0.279 0.000 1.048 332 S CB 1.347 64.681 63.200 0.222 0.000 1.053 332 S HN 1.213 nan 8.310 nan 0.000 0.501 333 S N 1.625 117.498 115.700 0.288 0.000 2.580 333 S HA 0.425 4.896 4.470 0.000 0.000 0.266 333 S C 1.441 176.152 174.600 0.185 0.000 1.354 333 S CA -0.374 57.975 58.200 0.247 0.000 1.008 333 S CB 0.197 63.541 63.200 0.240 0.000 0.898 333 S HN 1.324 nan 8.310 nan 0.000 0.555 334 A N 1.431 124.343 122.820 0.154 0.000 1.933 334 A HA -0.112 4.208 4.320 0.000 0.000 0.218 334 A C 1.676 179.334 177.584 0.123 0.000 1.175 334 A CA 1.642 53.755 52.037 0.127 0.000 0.628 334 A CB -1.212 17.850 19.000 0.104 0.000 0.814 334 A HN 0.996 nan 8.150 nan 0.000 0.444 335 D N -1.639 118.833 120.400 0.121 0.000 2.363 335 D HA 0.246 4.886 4.640 0.000 0.000 0.226 335 D C 1.165 177.535 176.300 0.117 0.000 1.020 335 D CA 0.843 54.908 54.000 0.108 0.000 0.892 335 D CB -0.891 39.966 40.800 0.096 0.000 0.900 335 D HN 0.757 nan 8.370 nan 0.000 0.531 336 G N 0.511 109.394 108.800 0.139 0.000 2.187 336 G HA2 -0.409 3.551 3.960 0.000 0.000 0.261 336 G HA3 -0.409 3.551 3.960 0.000 0.000 0.261 336 G C 0.973 175.957 174.900 0.140 0.000 1.000 336 G CA 0.731 45.920 45.100 0.148 0.000 0.718 336 G HN 0.494 nan 8.290 nan 0.000 0.519 337 K N -0.761 119.717 120.400 0.131 0.000 2.352 337 K HA 0.157 4.477 4.320 0.000 0.000 0.194 337 K C 0.537 177.210 176.600 0.121 0.000 1.038 337 K CA 1.006 57.360 56.287 0.112 0.000 1.023 337 K CB 0.519 33.072 32.500 0.089 0.000 0.840 337 K HN 0.354 nan 8.250 nan 0.000 0.519 338 T N 1.132 115.769 114.554 0.140 0.000 2.893 338 T HA 0.431 4.781 4.350 0.000 0.000 0.293 338 T C -1.533 173.252 174.700 0.142 0.000 1.027 338 T CA -0.700 61.458 62.100 0.097 0.000 0.988 338 T CB 2.065 70.947 68.868 0.023 0.000 1.043 338 T HN -0.100 nan 8.240 nan 0.000 0.461 339 L N 2.864 124.163 121.223 0.127 0.000 2.362 339 L HA 0.787 5.127 4.340 0.000 0.000 0.275 339 L C -1.862 175.098 176.870 0.150 0.000 0.998 339 L CA -0.617 54.365 54.840 0.236 0.000 0.820 339 L CB 0.887 43.147 42.059 0.334 0.000 1.270 339 L HN 0.576 nan 8.230 nan 0.000 0.415 340 F N 2.743 122.897 119.950 0.339 0.000 2.469 340 F HA 0.700 5.227 4.527 0.000 0.000 0.332 340 F C 0.205 176.216 175.800 0.351 0.000 1.103 340 F CA -0.295 57.904 58.000 0.332 0.000 0.979 340 F CB 2.251 41.382 39.000 0.217 0.000 1.137 340 F HN 0.552 nan 8.300 nan 0.000 0.463 341 S N 1.882 117.946 115.700 0.606 0.000 2.521 341 S HA 0.950 5.420 4.470 0.000 0.000 0.295 341 S C -0.947 173.940 174.600 0.478 0.000 1.098 341 S CA -0.803 57.707 58.200 0.516 0.000 0.999 341 S CB 1.827 65.442 63.200 0.693 0.000 1.034 341 S HN 0.885 nan 8.310 nan 0.000 0.483 342 A N 2.013 124.987 122.820 0.256 0.000 2.401 342 A HA 0.853 5.173 4.320 0.000 0.000 0.310 342 A C -0.820 176.779 177.584 0.026 0.000 1.075 342 A CA -0.743 51.419 52.037 0.208 0.000 0.746 342 A CB 1.145 20.229 19.000 0.140 0.000 1.277 342 A HN 0.988 nan 8.150 nan 0.000 0.425 343 D N -0.061 120.380 120.400 0.067 0.000 2.553 343 D HA 0.576 5.216 4.640 0.000 0.000 0.249 343 D C 0.792 177.059 176.300 -0.055 0.000 1.062 343 D CA 0.017 53.999 54.000 -0.030 0.000 1.085 343 D CB 1.162 42.000 40.800 0.064 0.000 1.350 343 D HN 0.480 nan 8.370 nan 0.000 0.575 344 A N -0.677 122.101 122.820 -0.071 0.000 2.178 344 A HA -0.124 4.196 4.320 0.000 0.000 0.218 344 A C 1.163 178.690 177.584 -0.094 0.000 1.157 344 A CA 1.045 53.014 52.037 -0.113 0.000 0.689 344 A CB -0.632 18.323 19.000 -0.074 0.000 0.787 344 A HN 0.589 nan 8.150 nan 0.000 0.465 345 E N -1.725 118.430 120.200 -0.076 0.000 2.548 345 E HA 0.314 4.664 4.350 0.000 0.000 0.206 345 E C 0.925 177.317 176.600 -0.347 0.000 1.005 345 E CA 0.214 56.516 56.400 -0.163 0.000 0.951 345 E CB 0.202 29.844 29.700 -0.098 0.000 1.035 345 E HN 0.669 nan 8.360 nan 0.000 0.470 346 G N 1.905 110.581 108.800 -0.206 0.000 2.179 346 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 346 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 346 G C -0.083 174.774 174.900 -0.072 0.000 0.977 346 G CA 0.174 45.201 45.100 -0.123 0.000 0.641 346 G HN 0.460 nan 8.290 nan 0.000 0.533 347 H N -0.398 118.768 119.070 0.160 0.000 2.582 347 H HA 0.672 5.228 4.556 0.000 0.000 0.345 347 H C 0.567 176.044 175.328 0.250 0.000 1.104 347 H CA -0.083 56.078 56.048 0.187 0.000 1.390 347 H CB 1.147 31.033 29.762 0.207 0.000 1.461 347 H HN 0.270 nan 8.280 nan 0.000 0.551 348 I N 2.460 123.218 120.570 0.312 0.000 2.545 348 I HA 0.253 4.423 4.170 0.000 0.000 0.292 348 I C -0.522 175.680 176.117 0.142 0.000 1.040 348 I CA -0.806 60.665 61.300 0.284 0.000 1.068 348 I CB 1.716 39.857 38.000 0.234 0.000 1.251 348 I HN 0.633 nan 8.210 nan 0.000 0.424 349 N N 3.095 121.874 118.700 0.131 0.000 2.240 349 N HA 0.459 5.199 4.740 0.000 0.000 0.302 349 N C -1.172 174.222 175.510 -0.192 0.000 1.106 349 N CA -0.511 52.419 53.050 -0.200 0.000 0.778 349 N CB 2.534 40.708 38.487 -0.521 0.000 1.431 349 N HN 0.639 nan 8.380 nan 0.000 0.479 350 S N 0.122 115.555 115.700 -0.444 0.000 2.509 350 S HA 0.733 5.203 4.470 0.000 0.000 0.297 350 S C -1.221 173.045 174.600 -0.557 0.000 1.118 350 S CA -0.713 57.164 58.200 -0.539 0.000 1.074 350 S CB 1.073 63.976 63.200 -0.496 0.000 1.038 350 S HN 0.514 nan 8.310 nan 0.000 0.498 351 W N 0.612 121.778 121.300 -0.224 0.000 2.915 351 W HA 0.407 5.067 4.660 0.000 0.000 0.337 351 W C -0.704 175.769 176.519 -0.075 0.000 1.102 351 W CA -0.648 56.632 57.345 -0.109 0.000 1.224 351 W CB 1.220 30.738 29.460 0.097 0.000 1.416 351 W HN 0.653 nan 8.180 nan 0.000 0.503 352 D N 3.184 123.660 120.400 0.127 0.000 2.336 352 D HA 0.136 4.776 4.640 0.000 0.000 0.249 352 D C 1.108 177.518 176.300 0.184 0.000 1.213 352 D CA 0.130 54.182 54.000 0.087 0.000 0.870 352 D CB 0.952 41.756 40.800 0.007 0.000 1.076 352 D HN 0.491 nan 8.370 nan 0.000 0.483 353 I N 2.651 123.363 120.570 0.236 0.000 2.194 353 I HA -0.366 3.804 4.170 0.000 0.000 0.246 353 I C 2.347 178.526 176.117 0.104 0.000 1.093 353 I CA 1.365 62.823 61.300 0.263 0.000 1.355 353 I CB -0.168 37.953 38.000 0.202 0.000 1.046 353 I HN 0.418 nan 8.210 nan 0.000 0.413 354 S N -0.548 115.183 115.700 0.052 0.000 2.395 354 S HA -0.127 4.343 4.470 0.000 0.000 0.225 354 S C 1.933 176.533 174.600 -0.000 0.000 1.027 354 S CA 1.265 59.461 58.200 -0.005 0.000 0.965 354 S CB -0.770 62.430 63.200 -0.000 0.000 0.812 354 S HN 0.581 nan 8.310 nan 0.000 0.482 355 T N -3.146 111.409 114.554 0.002 0.000 3.037 355 T HA 0.502 4.852 4.350 0.000 0.000 0.252 355 T C 1.731 176.372 174.700 -0.099 0.000 1.073 355 T CA 0.833 62.912 62.100 -0.036 0.000 1.091 355 T CB -0.191 68.648 68.868 -0.047 0.000 0.935 355 T HN 1.185 nan 8.240 nan 0.000 0.488 356 G N 1.613 110.276 108.800 -0.230 0.000 2.176 356 G HA2 -0.204 3.756 3.960 0.000 0.000 0.253 356 G HA3 -0.204 3.756 3.960 0.000 0.000 0.253 356 G C 0.094 174.759 174.900 -0.391 0.000 0.979 356 G CA 0.026 44.659 45.100 -0.777 0.000 0.641 356 G HN 0.669 nan 8.290 nan 0.000 0.530 357 I N 2.379 122.831 120.570 -0.197 0.000 2.648 357 I HA 0.341 4.511 4.170 0.000 0.000 0.284 357 I C 1.160 177.172 176.117 -0.175 0.000 1.153 357 I CA 0.737 61.947 61.300 -0.150 0.000 1.426 357 I CB 0.935 38.864 38.000 -0.119 0.000 1.381 357 I HN 0.406 nan 8.210 nan 0.000 0.571 358 S N 5.827 121.371 115.700 -0.260 0.000 2.648 358 S HA 0.570 5.040 4.470 0.000 0.000 0.305 358 S C -0.620 173.783 174.600 -0.329 0.000 1.094 358 S CA -1.001 56.882 58.200 -0.529 0.000 0.983 358 S CB 2.396 64.972 63.200 -1.041 0.000 1.101 358 S HN 0.584 nan 8.310 nan 0.000 0.514 359 N N 0.423 118.813 118.700 -0.517 0.000 2.397 359 N HA 0.351 5.091 4.740 0.000 0.000 0.291 359 N C -1.598 173.487 175.510 -0.708 0.000 1.065 359 N CA -0.517 52.198 53.050 -0.558 0.000 0.884 359 N CB 2.290 40.562 38.487 -0.359 0.000 1.551 359 N HN 0.652 nan 8.380 nan 0.000 0.487 360 R N 1.934 121.785 120.500 -1.082 0.000 2.221 360 R HA 0.342 4.682 4.340 0.000 0.000 0.327 360 R C -0.857 175.248 176.300 -0.325 0.000 1.033 360 R CA -0.366 55.326 56.100 -0.680 0.000 0.887 360 R CB 0.230 30.054 30.300 -0.795 0.000 1.057 360 R HN 0.245 nan 8.270 nan 0.000 0.455 361 V N 6.504 126.347 119.914 -0.118 0.000 2.540 361 V HA 0.163 4.283 4.120 0.000 0.000 0.297 361 V C -0.200 175.949 176.094 0.093 0.000 1.024 361 V CA 0.633 62.931 62.300 -0.005 0.000 1.105 361 V CB -0.271 31.579 31.823 0.044 0.000 0.938 361 V HN 0.678 nan 8.190 nan 0.000 0.482 362 F N 7.690 127.597 119.950 -0.072 0.000 2.596 362 F HA 0.695 5.222 4.527 0.000 0.000 0.311 362 F C -2.278 173.500 175.800 -0.038 0.000 1.116 362 F CA -1.927 56.050 58.000 -0.039 0.000 0.957 362 F CB 2.058 41.033 39.000 -0.040 0.000 1.250 362 F HN 0.399 nan 8.300 nan 0.000 0.444 363 P HA 0.146 nan 4.420 nan 0.000 0.273 363 P C -0.991 176.058 177.300 -0.418 0.000 1.250 363 P CA -0.230 62.128 63.100 -1.237 0.000 0.793 363 P CB 0.771 31.887 31.700 -0.974 0.000 1.011 364 D N -0.099 120.160 120.400 -0.235 0.000 2.443 364 D HA -0.007 4.633 4.640 0.000 0.000 0.239 364 D C 1.434 177.643 176.300 -0.152 0.000 1.136 364 D CA -0.119 53.848 54.000 -0.056 0.000 0.879 364 D CB 1.171 42.001 40.800 0.049 0.000 1.195 364 D HN -0.013 nan 8.370 nan 0.000 0.443 365 V N 2.346 122.167 119.914 -0.155 0.000 2.719 365 V HA -0.101 4.020 4.120 0.000 0.000 0.252 365 V C 0.680 176.438 176.094 -0.560 0.000 1.065 365 V CA 1.210 63.307 62.300 -0.340 0.000 1.086 365 V CB -0.345 31.281 31.823 -0.328 0.000 0.700 365 V HN 0.512 nan 8.190 nan 0.000 0.467 366 H N -1.918 117.106 119.070 -0.077 0.000 2.961 366 H HA 0.595 5.151 4.556 0.000 0.000 0.371 366 H C 0.269 175.538 175.328 -0.098 0.000 1.190 366 H CA -0.006 55.990 56.048 -0.086 0.000 1.138 366 H CB 2.188 31.910 29.762 -0.067 0.000 1.816 366 H HN -0.002 nan 8.280 nan 0.000 0.551 367 A N 1.100 123.949 122.820 0.048 0.000 2.387 367 A HA 0.256 4.576 4.320 0.000 0.000 0.234 367 A C 0.737 178.303 177.584 -0.029 0.000 1.253 367 A CA 0.491 52.518 52.037 -0.017 0.000 0.894 367 A CB 0.422 19.418 19.000 -0.007 0.000 0.963 367 A HN 0.521 nan 8.150 nan 0.000 0.508 368 T N -1.860 112.687 114.554 -0.012 0.000 2.711 368 T HA 0.417 4.767 4.350 0.000 0.000 0.302 368 T C -0.663 173.976 174.700 -0.101 0.000 1.373 368 T CA -0.491 61.589 62.100 -0.033 0.000 1.000 368 T CB 0.820 69.712 68.868 0.040 0.000 1.483 368 T HN 0.452 nan 8.240 nan 0.000 0.499 369 M N 2.556 122.066 119.600 -0.150 0.000 2.408 369 M HA 0.092 4.572 4.480 0.000 0.000 0.444 369 M C -1.115 174.904 176.300 -0.469 0.000 1.600 369 M CA 0.818 55.896 55.300 -0.371 0.000 0.884 369 M CB -0.954 31.254 32.600 -0.653 0.000 2.081 369 M HN 0.392 nan 8.290 nan 0.000 0.510 370 I N 6.102 126.453 120.570 -0.365 0.000 2.321 370 I HA 0.230 4.400 4.170 0.000 0.000 0.291 370 I C 0.958 176.879 176.117 -0.326 0.000 0.998 370 I CA -0.269 60.847 61.300 -0.306 0.000 1.227 370 I CB 1.367 39.298 38.000 -0.116 0.000 1.368 370 I HN 0.872 nan 8.210 nan 0.000 0.466 371 T N 0.832 115.200 114.554 -0.310 0.000 3.092 371 T HA 0.425 4.775 4.350 0.000 0.000 0.258 371 T C 0.436 175.096 174.700 -0.067 0.000 1.031 371 T CA -0.377 61.592 62.100 -0.218 0.000 0.925 371 T CB 0.253 69.019 68.868 -0.171 0.000 1.036 371 T HN 0.762 nan 8.240 nan 0.000 0.544 372 G N 0.613 109.390 108.800 -0.039 0.000 2.658 372 G HA2 0.552 4.512 3.960 0.000 0.000 0.301 372 G HA3 0.552 4.512 3.960 0.000 0.000 0.301 372 G C -2.079 172.856 174.900 0.058 0.000 1.481 372 G CA -0.792 44.324 45.100 0.027 0.000 0.931 372 G HN 0.418 nan 8.290 nan 0.000 0.573 373 I N 0.607 121.227 120.570 0.082 0.000 2.752 373 I HA 0.715 4.885 4.170 0.000 0.000 0.295 373 I C -1.626 174.552 176.117 0.102 0.000 1.219 373 I CA -1.051 60.310 61.300 0.102 0.000 1.030 373 I CB 2.234 40.304 38.000 0.118 0.000 1.259 373 I HN 0.302 nan 8.210 nan 0.000 0.423 374 K N 4.719 125.176 120.400 0.095 0.000 2.553 374 K HA 0.329 4.649 4.320 0.000 0.000 0.250 374 K C -0.967 175.662 176.600 0.048 0.000 0.953 374 K CA -0.625 55.704 56.287 0.069 0.000 0.800 374 K CB 2.085 34.598 32.500 0.022 0.000 1.243 374 K HN 0.651 nan 8.250 nan 0.000 0.435 375 T N 0.975 115.544 114.554 0.025 0.000 2.918 375 T HA 0.584 4.934 4.350 0.000 0.000 0.283 375 T C -0.178 174.557 174.700 0.059 0.000 1.001 375 T CA -0.019 62.076 62.100 -0.008 0.000 1.041 375 T CB 0.773 69.648 68.868 0.012 0.000 1.028 375 T HN 0.719 nan 8.240 nan 0.000 0.511 376 T N -0.847 113.756 114.554 0.082 0.000 2.887 376 T HA 0.411 4.761 4.350 0.000 0.000 0.292 376 T C 1.330 176.082 174.700 0.087 0.000 1.087 376 T CA -0.118 62.026 62.100 0.073 0.000 1.009 376 T CB 1.097 70.016 68.868 0.085 0.000 1.203 376 T HN 0.549 nan 8.240 nan 0.000 0.518 377 S N -0.059 115.683 115.700 0.071 0.000 2.571 377 S HA -0.107 4.363 4.470 0.000 0.000 0.245 377 S C 1.128 175.772 174.600 0.073 0.000 0.976 377 S CA 0.705 58.948 58.200 0.072 0.000 0.954 377 S CB -0.782 62.451 63.200 0.056 0.000 0.756 377 S HN 0.895 nan 8.310 nan 0.000 0.535 378 K N -0.411 120.037 120.400 0.080 0.000 2.478 378 K HA 0.487 4.807 4.320 0.000 0.000 0.205 378 K C 1.203 177.849 176.600 0.077 0.000 1.033 378 K CA 0.216 56.547 56.287 0.074 0.000 1.091 378 K CB 0.032 32.575 32.500 0.071 0.000 0.844 378 K HN 0.391 nan 8.250 nan 0.000 0.507 379 G N 1.267 110.120 108.800 0.088 0.000 2.234 379 G HA2 -0.236 3.724 3.960 0.000 0.000 0.260 379 G HA3 -0.236 3.724 3.960 0.000 0.000 0.260 379 G C -0.252 174.679 174.900 0.051 0.000 0.987 379 G CA 0.354 45.504 45.100 0.084 0.000 0.625 379 G HN 0.484 nan 8.290 nan 0.000 0.532 380 D N 0.024 120.467 120.400 0.072 0.000 2.400 380 D HA 0.387 5.027 4.640 0.000 0.000 0.238 380 D C 0.141 176.468 176.300 0.045 0.000 1.157 380 D CA 0.272 54.303 54.000 0.052 0.000 0.889 380 D CB 1.578 42.456 40.800 0.130 0.000 1.199 380 D HN 0.246 nan 8.370 nan 0.000 0.436 381 L N 3.268 124.455 121.223 -0.061 0.000 2.345 381 L HA 0.334 4.674 4.340 0.000 0.000 0.274 381 L C -1.370 175.487 176.870 -0.021 0.000 0.999 381 L CA -0.509 54.271 54.840 -0.100 0.000 0.849 381 L CB 0.570 42.457 42.059 -0.287 0.000 1.220 381 L HN 0.087 nan 8.230 nan 0.000 0.422 382 F N 2.847 122.747 119.950 -0.084 0.000 2.396 382 F HA 0.708 5.235 4.527 0.000 0.000 0.343 382 F C 0.869 176.662 175.800 -0.012 0.000 1.104 382 F CA -0.156 57.822 58.000 -0.037 0.000 1.161 382 F CB 1.751 40.747 39.000 -0.007 0.000 1.146 382 F HN 0.565 nan 8.300 nan 0.000 0.522 383 T N 0.194 114.843 114.554 0.159 0.000 2.900 383 T HA 0.789 5.139 4.350 0.000 0.000 0.303 383 T C -1.056 173.740 174.700 0.160 0.000 1.142 383 T CA -0.909 61.294 62.100 0.171 0.000 1.007 383 T CB 1.411 70.427 68.868 0.246 0.000 1.156 383 T HN 0.647 nan 8.240 nan 0.000 0.490 384 V N -1.090 118.856 119.914 0.054 0.000 2.841 384 V HA 0.980 5.100 4.120 0.000 0.000 0.310 384 V C -0.319 175.636 176.094 -0.231 0.000 1.090 384 V CA -0.527 61.755 62.300 -0.030 0.000 0.930 384 V CB 1.193 33.037 31.823 0.035 0.000 1.014 384 V HN 1.407 nan 8.190 nan 0.000 0.425 385 S N 2.818 118.327 115.700 -0.319 0.000 2.651 385 S HA 0.602 5.072 4.470 0.000 0.000 0.279 385 S C -0.860 173.751 174.600 0.019 0.000 1.148 385 S CA -0.540 57.431 58.200 -0.381 0.000 0.837 385 S CB 1.925 64.554 63.200 -0.952 0.000 1.138 385 S HN 0.818 nan 8.310 nan 0.000 0.478 386 W N 2.212 123.434 121.300 -0.129 0.000 3.216 386 W HA 0.183 4.843 4.660 0.000 0.000 0.247 386 W C 0.895 177.396 176.519 -0.030 0.000 1.326 386 W CA 0.078 57.383 57.345 -0.066 0.000 1.564 386 W CB -0.980 28.447 29.460 -0.056 0.000 1.113 386 W HN 0.831 nan 8.180 nan 0.000 0.722 387 D N -1.248 119.264 120.400 0.186 0.000 2.325 387 D HA -0.071 4.569 4.640 0.000 0.000 0.225 387 D C -0.041 176.441 176.300 0.302 0.000 1.096 387 D CA 0.145 54.266 54.000 0.201 0.000 0.844 387 D CB -0.504 40.401 40.800 0.174 0.000 0.925 387 D HN -0.118 nan 8.370 nan 0.000 0.513 388 D N 0.233 120.744 120.400 0.186 0.000 2.689 388 D HA -0.201 4.439 4.640 0.000 0.000 0.237 388 D C -0.873 175.376 176.300 -0.084 0.000 1.148 388 D CA 0.910 54.946 54.000 0.060 0.000 0.656 388 D CB -1.782 39.004 40.800 -0.024 0.000 1.050 388 D HN 0.556 nan 8.370 nan 0.000 0.426 389 H N -0.955 118.134 119.070 0.031 0.000 2.821 389 H HA 0.716 5.272 4.556 0.000 0.000 0.373 389 H C -0.233 175.119 175.328 0.039 0.000 1.165 389 H CA -0.807 55.265 56.048 0.041 0.000 1.154 389 H CB 1.778 31.598 29.762 0.096 0.000 1.765 389 H HN 0.082 nan 8.280 nan 0.000 0.549 390 L N 2.185 123.468 121.223 0.100 0.000 2.343 390 L HA 0.522 4.862 4.340 0.000 0.000 0.278 390 L C -1.265 175.572 176.870 -0.056 0.000 0.996 390 L CA -0.500 54.349 54.840 0.015 0.000 0.831 390 L CB 0.574 42.584 42.059 -0.081 0.000 1.232 390 L HN 0.520 nan 8.230 nan 0.000 0.413 391 K N 4.149 124.537 120.400 -0.020 0.000 2.267 391 K HA 0.680 5.000 4.320 0.000 0.000 0.246 391 K C -1.456 174.972 176.600 -0.287 0.000 0.954 391 K CA -0.921 55.276 56.287 -0.149 0.000 0.824 391 K CB 2.920 35.336 32.500 -0.140 0.000 1.167 391 K HN 0.321 nan 8.250 nan 0.000 0.431 392 V N 2.450 122.129 119.914 -0.392 0.000 2.407 392 V HA 0.261 4.381 4.120 0.000 0.000 0.291 392 V C -0.665 175.228 176.094 -0.336 0.000 1.018 392 V CA -0.923 61.032 62.300 -0.575 0.000 0.842 392 V CB 1.627 33.002 31.823 -0.748 0.000 0.996 392 V HN 0.456 nan 8.190 nan 0.000 0.426 393 V N 7.584 127.335 119.914 -0.272 0.000 2.384 393 V HA 0.392 4.512 4.120 0.000 0.000 0.287 393 V C -2.206 173.810 176.094 -0.130 0.000 1.020 393 V CA -1.978 60.217 62.300 -0.176 0.000 0.850 393 V CB 1.717 33.452 31.823 -0.147 0.000 0.987 393 V HN 0.675 nan 8.190 nan 0.000 0.436 394 P HA 0.280 nan 4.420 nan 0.000 0.272 394 P C -0.130 177.156 177.300 -0.024 0.000 1.254 394 P CA 0.222 63.291 63.100 -0.050 0.000 0.795 394 P CB 0.684 32.360 31.700 -0.039 0.000 1.022 395 A N 0.588 123.411 122.820 0.005 0.000 3.158 395 A HA 0.568 4.889 4.320 0.000 0.000 0.217 395 A C 1.438 179.047 177.584 0.041 0.000 1.469 395 A CA 0.005 52.064 52.037 0.035 0.000 0.885 395 A CB -1.011 18.025 19.000 0.061 0.000 1.662 395 A HN 0.607 nan 8.150 nan 0.000 0.512 396 G N -0.845 107.992 108.800 0.063 0.000 2.436 396 G HA2 -0.047 3.913 3.960 0.000 0.000 0.329 396 G HA3 -0.047 3.913 3.960 0.000 0.000 0.329 396 G C 0.832 175.750 174.900 0.030 0.000 0.691 396 G CA 1.292 46.423 45.100 0.052 0.000 0.707 396 G HN 1.411 nan 8.290 nan 0.000 0.529 397 G N -1.314 107.499 108.800 0.022 0.000 2.796 397 G HA2 0.281 4.241 3.960 0.000 0.000 0.210 397 G HA3 0.281 4.241 3.960 0.000 0.000 0.210 397 G C 1.358 176.263 174.900 0.008 0.000 1.146 397 G CA 1.297 46.404 45.100 0.012 0.000 0.779 397 G HN 1.069 nan 8.290 nan 0.000 0.535 398 S N -2.756 112.950 115.700 0.010 0.000 2.546 398 S HA 0.420 4.890 4.470 0.000 0.000 0.282 398 S C 1.453 176.057 174.600 0.007 0.000 1.074 398 S CA 1.152 59.354 58.200 0.003 0.000 1.254 398 S CB 0.391 63.593 63.200 0.003 0.000 1.103 398 S HN 1.399 nan 8.310 nan 0.000 0.589 399 G N 0.840 109.656 108.800 0.026 0.000 2.797 399 G HA2 -0.046 3.914 3.960 0.000 0.000 0.195 399 G HA3 -0.046 3.914 3.960 0.000 0.000 0.195 399 G C 0.013 174.966 174.900 0.089 0.000 1.026 399 G CA 0.258 45.393 45.100 0.058 0.000 0.759 399 G HN 1.698 nan 8.290 nan 0.000 0.475 400 V N -1.009 118.937 119.914 0.054 0.000 3.063 400 V HA 0.407 4.527 4.120 0.000 0.000 0.249 400 V C -1.384 174.708 176.094 -0.004 0.000 0.908 400 V CA -0.905 61.416 62.300 0.037 0.000 0.966 400 V CB 0.769 32.642 31.823 0.083 0.000 1.015 400 V HN 0.109 nan 8.190 nan 0.000 0.512 401 D N 3.178 123.567 120.400 -0.019 0.000 2.541 401 D HA 0.088 4.728 4.640 0.000 0.000 0.231 401 D C 1.807 178.066 176.300 -0.068 0.000 1.163 401 D CA 0.886 54.864 54.000 -0.037 0.000 1.077 401 D CB 1.328 42.110 40.800 -0.030 0.000 1.110 401 D HN 0.821 nan 8.370 nan 0.000 0.499 402 S N 0.578 116.227 115.700 -0.085 0.000 2.423 402 S HA -0.297 4.173 4.470 0.000 0.000 0.238 402 S C 1.957 176.474 174.600 -0.139 0.000 1.028 402 S CA 1.362 59.485 58.200 -0.127 0.000 1.000 402 S CB -0.448 62.661 63.200 -0.151 0.000 0.797 402 S HN 0.430 nan 8.310 nan 0.000 0.487 403 S N 1.819 117.447 115.700 -0.121 0.000 2.465 403 S HA -0.040 4.430 4.470 0.000 0.000 0.241 403 S C 1.240 175.786 174.600 -0.090 0.000 1.000 403 S CA 0.889 59.022 58.200 -0.111 0.000 0.964 403 S CB -0.439 62.709 63.200 -0.085 0.000 0.763 403 S HN 0.719 nan 8.310 nan 0.000 0.512 404 K N 1.038 121.388 120.400 -0.084 0.000 2.537 404 K HA 0.483 4.803 4.320 0.000 0.000 0.206 404 K C -0.030 176.519 176.600 -0.085 0.000 1.041 404 K CA -0.012 56.232 56.287 -0.072 0.000 1.090 404 K CB 0.973 33.442 32.500 -0.053 0.000 0.833 404 K HN 0.386 nan 8.250 nan 0.000 0.493 405 A N 1.221 123.973 122.820 -0.113 0.000 2.425 405 A HA 0.202 4.522 4.320 0.000 0.000 0.249 405 A C -0.062 177.448 177.584 -0.124 0.000 1.084 405 A CA -0.311 51.643 52.037 -0.140 0.000 0.781 405 A CB 0.681 19.575 19.000 -0.178 0.000 1.019 405 A HN 0.126 nan 8.150 nan 0.000 0.490 406 V N 2.731 122.567 119.914 -0.130 0.000 2.406 406 V HA 0.586 4.706 4.120 0.000 0.000 0.272 406 V C 0.529 176.552 176.094 -0.119 0.000 1.043 406 V CA 0.163 62.407 62.300 -0.093 0.000 0.915 406 V CB 0.584 32.374 31.823 -0.055 0.000 0.988 406 V HN 1.266 nan 8.190 nan 0.000 0.466 407 A N 5.574 128.353 122.820 -0.069 0.000 2.312 407 A HA 0.806 5.126 4.320 0.000 0.000 0.326 407 A C -0.384 177.215 177.584 0.026 0.000 1.172 407 A CA -0.710 51.314 52.037 -0.022 0.000 0.821 407 A CB 0.565 19.563 19.000 -0.003 0.000 1.166 407 A HN 0.952 nan 8.150 nan 0.000 0.493 408 N N 0.892 119.610 118.700 0.031 0.000 2.519 408 N HA 0.394 5.134 4.740 0.000 0.000 0.286 408 N C -0.994 174.472 175.510 -0.073 0.000 1.079 408 N CA -0.709 52.329 53.050 -0.019 0.000 0.878 408 N CB 1.751 40.158 38.487 -0.132 0.000 1.375 408 N HN 0.585 nan 8.380 nan 0.000 0.514 409 K N 2.145 122.443 120.400 -0.169 0.000 2.412 409 K HA 0.269 4.589 4.320 0.000 0.000 0.281 409 K C -0.921 175.509 176.600 -0.285 0.000 1.027 409 K CA 0.136 56.132 56.287 -0.486 0.000 0.989 409 K CB 0.296 32.587 32.500 -0.347 0.000 0.935 409 K HN 0.490 nan 8.250 nan 0.000 0.475 410 L N 3.252 124.298 121.223 -0.294 0.000 2.344 410 L HA 0.275 4.615 4.340 0.000 0.000 0.272 410 L C 1.123 177.871 176.870 -0.204 0.000 1.035 410 L CA -0.524 54.203 54.840 -0.188 0.000 0.807 410 L CB 1.849 43.839 42.059 -0.114 0.000 1.237 410 L HN 0.753 nan 8.230 nan 0.000 0.442 411 S N -0.193 115.343 115.700 -0.274 0.000 2.406 411 S HA -0.028 4.442 4.470 0.000 0.000 0.228 411 S C 0.536 175.041 174.600 -0.160 0.000 1.020 411 S CA 0.767 58.774 58.200 -0.322 0.000 0.965 411 S CB 0.019 62.776 63.200 -0.739 0.000 0.798 411 S HN 0.812 nan 8.310 nan 0.000 0.488 412 S N -0.178 115.474 115.700 -0.080 0.000 2.651 412 S HA 0.452 4.922 4.470 0.000 0.000 0.279 412 S C -0.964 173.661 174.600 0.043 0.000 1.148 412 S CA -0.929 57.314 58.200 0.072 0.000 0.837 412 S CB 1.408 64.781 63.200 0.287 0.000 1.138 412 S HN 0.212 nan 8.310 nan 0.000 0.478 413 Q N 1.843 121.655 119.800 0.019 0.000 2.274 413 Q HA 0.216 4.557 4.340 0.000 0.000 0.280 413 Q C -2.228 173.834 176.000 0.104 0.000 1.047 413 Q CA -1.394 54.403 55.803 -0.010 0.000 0.907 413 Q CB 0.380 28.973 28.738 -0.242 0.000 1.171 413 Q HN 0.427 nan 8.270 nan 0.000 0.381 414 P HA 0.063 nan 4.420 nan 0.000 0.287 414 P C -0.532 176.954 177.300 0.311 0.000 1.281 414 P CA 0.131 63.350 63.100 0.197 0.000 0.781 414 P CB 0.928 32.716 31.700 0.147 0.000 0.903 415 L N 1.946 123.317 121.223 0.247 0.000 2.672 415 L HA 0.443 4.783 4.340 0.000 0.000 0.236 415 L C 1.188 178.164 176.870 0.177 0.000 1.092 415 L CA 0.345 55.350 54.840 0.275 0.000 0.887 415 L CB 0.347 42.551 42.059 0.242 0.000 1.168 415 L HN 0.517 nan 8.230 nan 0.000 0.502 416 G N 0.095 108.980 108.800 0.142 0.000 2.720 416 G HA2 0.568 4.528 3.960 0.000 0.000 0.295 416 G HA3 0.568 4.528 3.960 0.000 0.000 0.295 416 G C -2.401 172.563 174.900 0.107 0.000 1.437 416 G CA -0.332 44.836 45.100 0.113 0.000 0.886 416 G HN -0.191 nan 8.290 nan 0.000 0.509 417 L N 0.666 121.947 121.223 0.098 0.000 2.422 417 L HA 0.951 5.292 4.340 0.000 0.000 0.264 417 L C -0.463 176.464 176.870 0.095 0.000 0.984 417 L CA -0.614 54.283 54.840 0.096 0.000 0.819 417 L CB 2.145 44.259 42.059 0.092 0.000 1.330 417 L HN 1.284 nan 8.230 nan 0.000 0.410 418 A N 4.094 126.965 122.820 0.086 0.000 2.427 418 A HA 0.843 5.163 4.320 0.000 0.000 0.298 418 A C -1.812 175.779 177.584 0.012 0.000 1.036 418 A CA -0.496 51.588 52.037 0.078 0.000 0.701 418 A CB 1.730 20.808 19.000 0.129 0.000 1.250 418 A HN 0.562 nan 8.150 nan 0.000 0.412 419 V N 1.829 121.713 119.914 -0.050 0.000 2.789 419 V HA 0.604 4.725 4.120 0.000 0.000 0.311 419 V C 0.590 176.605 176.094 -0.133 0.000 1.073 419 V CA -0.379 61.806 62.300 -0.192 0.000 0.921 419 V CB 2.151 33.700 31.823 -0.456 0.000 1.009 419 V HN 1.206 nan 8.190 nan 0.000 0.426 420 S N 2.957 118.575 115.700 -0.137 0.000 2.593 420 S HA 0.464 4.934 4.470 0.000 0.000 0.269 420 S C 1.506 176.058 174.600 -0.080 0.000 1.334 420 S CA 0.170 58.325 58.200 -0.076 0.000 1.015 420 S CB 1.374 64.537 63.200 -0.061 0.000 0.912 420 S HN 1.417 nan 8.310 nan 0.000 0.541 421 A N 1.786 124.590 122.820 -0.028 0.000 1.915 421 A HA -0.241 4.079 4.320 0.000 0.000 0.220 421 A C 1.710 179.289 177.584 -0.008 0.000 1.198 421 A CA 2.183 54.218 52.037 -0.004 0.000 0.647 421 A CB -1.288 17.722 19.000 0.017 0.000 0.825 421 A HN 1.010 nan 8.150 nan 0.000 0.456 422 D N -2.638 117.753 120.400 -0.015 0.000 2.339 422 D HA 0.298 4.938 4.640 0.000 0.000 0.217 422 D C 1.168 177.465 176.300 -0.005 0.000 1.050 422 D CA 0.956 54.957 54.000 0.002 0.000 0.856 422 D CB -0.674 40.129 40.800 0.005 0.000 0.922 422 D HN 1.019 nan 8.370 nan 0.000 0.518 423 G N 0.976 109.724 108.800 -0.086 0.000 2.148 423 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 423 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 423 G C 0.758 175.625 174.900 -0.056 0.000 0.981 423 G CA 0.428 45.432 45.100 -0.159 0.000 0.670 423 G HN 0.415 nan 8.290 nan 0.000 0.528 424 D N -0.045 120.311 120.400 -0.074 0.000 2.144 424 D HA 0.001 4.641 4.640 0.000 0.000 0.199 424 D C 1.165 177.409 176.300 -0.094 0.000 0.984 424 D CA 1.006 54.944 54.000 -0.104 0.000 0.834 424 D CB 0.058 40.815 40.800 -0.072 0.000 0.955 424 D HN 0.585 nan 8.370 nan 0.000 0.465 425 I N 0.138 120.666 120.570 -0.070 0.000 2.533 425 I HA 0.490 4.660 4.170 0.000 0.000 0.290 425 I C -0.693 175.394 176.117 -0.050 0.000 1.056 425 I CA -0.944 60.340 61.300 -0.027 0.000 1.057 425 I CB 2.298 40.293 38.000 -0.008 0.000 1.240 425 I HN -0.175 nan 8.210 nan 0.000 0.423 426 A N 5.865 128.710 122.820 0.042 0.000 2.371 426 A HA 0.905 5.225 4.320 0.000 0.000 0.311 426 A C -1.162 176.490 177.584 0.113 0.000 1.068 426 A CA -0.555 51.503 52.037 0.036 0.000 0.744 426 A CB 1.811 20.896 19.000 0.142 0.000 1.239 426 A HN 0.414 nan 8.150 nan 0.000 0.435 427 V N 0.918 120.885 119.914 0.090 0.000 2.638 427 V HA 0.768 4.888 4.120 0.000 0.000 0.306 427 V C 0.080 176.237 176.094 0.104 0.000 1.052 427 V CA -0.298 62.063 62.300 0.101 0.000 0.885 427 V CB 1.736 33.618 31.823 0.098 0.000 0.999 427 V HN 1.379 nan 8.190 nan 0.000 0.424 428 A N 3.326 126.206 122.820 0.100 0.000 2.319 428 A HA 0.874 5.194 4.320 0.000 0.000 0.310 428 A C 0.085 177.724 177.584 0.093 0.000 1.152 428 A CA -0.343 51.753 52.037 0.098 0.000 0.783 428 A CB 1.250 20.304 19.000 0.091 0.000 1.184 428 A HN 1.400 nan 8.150 nan 0.000 0.474 429 A N 1.895 124.778 122.820 0.104 0.000 2.395 429 A HA 0.509 4.829 4.320 0.000 0.000 0.286 429 A C 0.174 177.819 177.584 0.102 0.000 1.193 429 A CA -0.087 52.009 52.037 0.099 0.000 0.852 429 A CB -0.798 18.276 19.000 0.123 0.000 1.118 429 A HN 0.894 nan 8.150 nan 0.000 0.524 430 C N 1.107 120.456 119.300 0.080 0.000 2.486 430 C HA 0.391 4.851 4.460 0.000 0.000 0.348 430 C C 1.559 176.605 174.990 0.094 0.000 1.203 430 C CA -0.346 58.739 59.018 0.112 0.000 1.911 430 C CB 0.673 28.489 27.740 0.127 0.000 2.340 430 C HN 0.971 nan 8.230 nan 0.000 0.511 431 Y N 1.219 121.512 120.300 -0.011 0.000 2.114 431 Y HA -0.174 4.376 4.550 0.000 0.000 0.282 431 Y C 1.864 177.694 175.900 -0.117 0.000 1.165 431 Y CA 1.962 60.028 58.100 -0.057 0.000 1.148 431 Y CB 0.062 38.481 38.460 -0.068 0.000 0.972 431 Y HN 0.637 nan 8.280 nan 0.000 0.504 432 K N -1.168 119.206 120.400 -0.044 0.000 2.469 432 K HA 0.210 4.530 4.320 0.000 0.000 0.204 432 K C -1.015 175.201 176.600 -0.641 0.000 1.047 432 K CA -0.018 56.060 56.287 -0.348 0.000 1.072 432 K CB 0.689 33.025 32.500 -0.274 0.000 0.863 432 K HN 0.259 nan 8.250 nan 0.000 0.530 433 H N -0.803 118.171 119.070 -0.160 0.000 3.017 433 H HA 0.401 4.957 4.556 0.000 0.000 0.346 433 H C -1.171 174.079 175.328 -0.130 0.000 1.286 433 H CA -0.620 55.343 56.048 -0.142 0.000 1.120 433 H CB 1.584 31.299 29.762 -0.079 0.000 1.860 433 H HN -0.110 nan 8.280 nan 0.000 0.542 434 I N 1.718 122.289 120.570 0.003 0.000 2.359 434 I HA 0.494 4.664 4.170 0.000 0.000 0.284 434 I C -0.235 175.895 176.117 0.023 0.000 1.018 434 I CA -0.630 60.656 61.300 -0.024 0.000 1.173 434 I CB 0.902 38.828 38.000 -0.123 0.000 1.326 434 I HN 0.622 nan 8.210 nan 0.000 0.462 435 A N 8.196 131.046 122.820 0.050 0.000 2.289 435 A HA 0.760 5.080 4.320 0.000 0.000 0.298 435 A C -0.421 177.211 177.584 0.081 0.000 1.208 435 A CA -0.260 51.810 52.037 0.056 0.000 0.845 435 A CB 0.291 19.319 19.000 0.047 0.000 1.125 435 A HN 0.688 nan 8.150 nan 0.000 0.517 436 I N 2.037 122.662 120.570 0.091 0.000 2.406 436 I HA 0.309 4.479 4.170 0.000 0.000 0.290 436 I C -1.161 175.072 176.117 0.192 0.000 0.999 436 I CA -0.481 60.888 61.300 0.115 0.000 1.124 436 I CB 1.716 39.754 38.000 0.063 0.000 1.289 436 I HN 0.704 nan 8.210 nan 0.000 0.441 437 Y N 5.936 126.278 120.300 0.070 0.000 2.331 437 Y HA 0.641 5.191 4.550 0.000 0.000 0.334 437 Y C -0.457 175.501 175.900 0.095 0.000 0.960 437 Y CA -0.577 57.579 58.100 0.093 0.000 1.130 437 Y CB 1.651 40.195 38.460 0.140 0.000 1.164 437 Y HN 0.608 nan 8.280 nan 0.000 0.458 438 S N 4.435 119.947 115.700 -0.315 0.000 2.543 438 S HA 0.323 4.793 4.470 0.000 0.000 0.273 438 S C -1.263 173.191 174.600 -0.243 0.000 1.152 438 S CA -0.830 57.232 58.200 -0.230 0.000 0.910 438 S CB 1.158 64.352 63.200 -0.011 0.000 1.105 438 S HN 0.891 nan 8.310 nan 0.000 0.465 439 H N 1.203 120.140 119.070 -0.221 0.000 2.713 439 H HA -0.200 4.356 4.556 0.000 0.000 0.311 439 H C 1.414 176.601 175.328 -0.234 0.000 1.175 439 H CA 1.385 57.333 56.048 -0.167 0.000 1.143 439 H CB -1.635 28.063 29.762 -0.106 0.000 1.434 439 H HN 2.130 nan 8.280 nan 0.000 0.418 440 G N -0.105 108.481 108.800 -0.357 0.000 2.166 440 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 440 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 440 G C 0.119 174.869 174.900 -0.250 0.000 0.986 440 G CA 0.903 45.836 45.100 -0.277 0.000 0.683 440 G HN 0.403 nan 8.290 nan 0.000 0.527 441 K N -0.557 119.602 120.400 -0.401 0.000 2.378 441 K HA 0.622 4.942 4.320 0.000 0.000 0.252 441 K C -0.773 175.787 176.600 -0.068 0.000 0.931 441 K CA -1.044 55.165 56.287 -0.130 0.000 0.794 441 K CB 2.450 34.912 32.500 -0.063 0.000 1.181 441 K HN 0.215 nan 8.250 nan 0.000 0.425 442 L N 1.625 122.949 121.223 0.168 0.000 2.282 442 L HA 0.441 4.781 4.340 0.000 0.000 0.288 442 L C -0.793 176.138 176.870 0.101 0.000 1.033 442 L CA 0.328 55.318 54.840 0.251 0.000 0.807 442 L CB 1.551 43.767 42.059 0.262 0.000 1.209 442 L HN 0.519 nan 8.230 nan 0.000 0.423 443 T N 4.336 118.939 114.554 0.081 0.000 2.841 443 T HA 0.468 4.818 4.350 0.000 0.000 0.285 443 T C -0.973 173.746 174.700 0.033 0.000 0.991 443 T CA -0.528 61.596 62.100 0.039 0.000 0.966 443 T CB 1.137 70.021 68.868 0.026 0.000 0.962 443 T HN 0.585 nan 8.240 nan 0.000 0.438 444 E N 2.113 122.323 120.200 0.016 0.000 2.145 444 E HA 0.423 4.773 4.350 0.000 0.000 0.262 444 E C -0.761 175.885 176.600 0.077 0.000 0.883 444 E CA -0.731 55.685 56.400 0.027 0.000 0.748 444 E CB 1.687 31.343 29.700 -0.072 0.000 1.140 444 E HN 0.295 nan 8.360 nan 0.000 0.417 445 V N 5.380 125.319 119.914 0.042 0.000 2.455 445 V HA 0.174 4.294 4.120 0.000 0.000 0.273 445 V C -1.716 174.367 176.094 -0.019 0.000 1.045 445 V CA -1.579 60.719 62.300 -0.003 0.000 0.976 445 V CB 0.221 31.995 31.823 -0.082 0.000 0.993 445 V HN 0.567 nan 8.190 nan 0.000 0.475 446 P HA 0.363 nan 4.420 nan 0.000 0.275 446 P C -0.670 176.483 177.300 -0.245 0.000 1.227 446 P CA -0.057 62.913 63.100 -0.217 0.000 0.781 446 P CB 1.177 32.785 31.700 -0.153 0.000 0.906 447 I N -0.843 119.499 120.570 -0.380 0.000 2.740 447 I HA 0.428 4.598 4.170 0.000 0.000 0.303 447 I C 0.981 176.881 176.117 -0.363 0.000 1.044 447 I CA -0.979 60.089 61.300 -0.388 0.000 1.064 447 I CB 2.167 39.732 38.000 -0.724 0.000 1.249 447 I HN 0.201 nan 8.210 nan 0.000 0.433 448 S N 1.849 117.436 115.700 -0.187 0.000 2.593 448 S HA 0.125 4.595 4.470 0.000 0.000 0.217 448 S C 0.197 174.762 174.600 -0.059 0.000 0.966 448 S CA -0.058 58.086 58.200 -0.094 0.000 0.914 448 S CB -0.774 62.433 63.200 0.011 0.000 0.776 448 S HN 0.742 nan 8.310 nan 0.000 0.523 449 Y N 0.075 120.261 120.300 -0.190 0.000 2.659 449 Y HA 0.730 5.280 4.550 0.000 0.000 0.333 449 Y C -0.834 174.905 175.900 -0.268 0.000 1.064 449 Y CA -2.100 55.885 58.100 -0.192 0.000 1.141 449 Y CB 0.204 38.571 38.460 -0.156 0.000 1.316 449 Y HN -0.115 nan 8.280 nan 0.000 0.509 450 N N 0.756 119.323 118.700 -0.221 0.000 2.425 450 N HA 0.437 5.177 4.740 0.000 0.000 0.268 450 N C -0.983 174.474 175.510 -0.087 0.000 0.991 450 N CA -0.760 52.033 53.050 -0.427 0.000 0.931 450 N CB 1.433 39.548 38.487 -0.620 0.000 1.130 450 N HN 0.802 nan 8.380 nan 0.000 0.493 451 S N 0.650 116.275 115.700 -0.125 0.000 2.632 451 S HA 0.375 4.846 4.470 0.000 0.000 0.267 451 S C 0.818 175.491 174.600 0.123 0.000 1.276 451 S CA -0.396 57.868 58.200 0.106 0.000 0.998 451 S CB 1.412 64.653 63.200 0.069 0.000 0.953 451 S HN 0.613 nan 8.310 nan 0.000 0.547 452 S N -1.336 114.453 115.700 0.147 0.000 2.648 452 S HA 0.323 4.793 4.470 0.000 0.000 0.270 452 S C 0.447 175.123 174.600 0.127 0.000 1.080 452 S CA 0.133 58.414 58.200 0.135 0.000 1.159 452 S CB -1.010 62.257 63.200 0.113 0.000 1.091 452 S HN 1.654 nan 8.310 nan 0.000 0.605 453 C N -0.706 118.669 119.300 0.125 0.000 3.275 453 C HA 0.921 5.381 4.460 0.000 0.000 0.340 453 C C -1.013 174.055 174.990 0.130 0.000 1.366 453 C CA -0.590 58.497 59.018 0.115 0.000 1.227 453 C CB 1.052 28.844 27.740 0.086 0.000 1.512 453 C HN 0.514 nan 8.230 nan 0.000 0.461 454 V N 0.181 120.174 119.914 0.132 0.000 3.178 454 V HA 0.953 5.073 4.120 0.000 0.000 0.302 454 V C -0.902 175.296 176.094 0.173 0.000 1.262 454 V CA 0.528 62.923 62.300 0.159 0.000 1.030 454 V CB 2.122 34.041 31.823 0.159 0.000 1.074 454 V HN 2.451 nan 8.190 nan 0.000 0.438 455 A N 4.353 127.311 122.820 0.230 0.000 2.488 455 A HA 0.837 5.157 4.320 0.000 0.000 0.298 455 A C -1.932 175.928 177.584 0.460 0.000 1.044 455 A CA -0.459 51.766 52.037 0.314 0.000 0.693 455 A CB 1.706 20.866 19.000 0.268 0.000 1.272 455 A HN 1.481 nan 8.150 nan 0.000 0.402 456 L N 2.635 124.086 121.223 0.381 0.000 2.313 456 L HA 0.680 5.020 4.340 0.000 0.000 0.283 456 L C 0.607 177.572 176.870 0.159 0.000 1.013 456 L CA 0.101 55.099 54.840 0.264 0.000 0.816 456 L CB 1.698 43.841 42.059 0.140 0.000 1.236 456 L HN 0.903 nan 8.230 nan 0.000 0.419 457 S N 2.605 118.195 115.700 -0.183 0.000 2.573 457 S HA 0.041 4.511 4.470 0.000 0.000 0.277 457 S C 0.972 175.489 174.600 -0.139 0.000 1.346 457 S CA 0.272 58.203 58.200 -0.448 0.000 1.034 457 S CB 0.415 63.208 63.200 -0.679 0.000 0.879 457 S HN 0.835 nan 8.310 nan 0.000 0.528 458 N N 1.805 120.451 118.700 -0.090 0.000 2.104 458 N HA -0.197 4.543 4.740 0.000 0.000 0.190 458 N C 1.023 176.498 175.510 -0.058 0.000 1.024 458 N CA 1.915 54.942 53.050 -0.039 0.000 0.853 458 N CB -0.455 38.019 38.487 -0.022 0.000 1.008 458 N HN 0.873 nan 8.380 nan 0.000 0.424 459 D N -0.196 120.149 120.400 -0.090 0.000 2.352 459 D HA -0.056 4.584 4.640 0.000 0.000 0.232 459 D C -0.079 176.157 176.300 -0.107 0.000 1.055 459 D CA 0.197 54.141 54.000 -0.092 0.000 0.891 459 D CB -0.458 40.278 40.800 -0.108 0.000 0.897 459 D HN 0.305 nan 8.370 nan 0.000 0.529 460 K N -1.076 119.265 120.400 -0.100 0.000 3.130 460 K HA -0.219 4.101 4.320 0.000 0.000 0.282 460 K C 0.760 177.287 176.600 -0.121 0.000 1.145 460 K CA 0.833 57.071 56.287 -0.082 0.000 0.831 460 K CB -1.012 31.456 32.500 -0.053 0.000 1.226 460 K HN 0.223 nan 8.250 nan 0.000 0.478 461 Q N -0.781 118.884 119.800 -0.225 0.000 2.339 461 Q HA 0.159 4.499 4.340 0.000 0.000 0.205 461 Q C 0.254 175.994 176.000 -0.433 0.000 0.925 461 Q CA 1.120 56.689 55.803 -0.390 0.000 0.898 461 Q CB 0.377 28.747 28.738 -0.614 0.000 1.013 461 Q HN 0.247 nan 8.270 nan 0.000 0.504 462 F N -0.425 119.468 119.950 -0.095 0.000 2.522 462 F HA 0.480 5.007 4.527 0.000 0.000 0.324 462 F C -0.158 175.690 175.800 0.081 0.000 1.077 462 F CA -1.371 56.622 58.000 -0.011 0.000 0.944 462 F CB 1.725 40.688 39.000 -0.061 0.000 1.175 462 F HN -0.457 nan 8.300 nan 0.000 0.468 463 V N 2.259 122.463 119.914 0.483 0.000 2.482 463 V HA 0.730 4.851 4.120 0.000 0.000 0.295 463 V C -0.538 175.861 176.094 0.509 0.000 1.026 463 V CA -0.977 61.594 62.300 0.451 0.000 0.856 463 V CB 1.419 33.435 31.823 0.321 0.000 1.001 463 V HN 0.900 nan 8.190 nan 0.000 0.424 464 A N 4.939 128.053 122.820 0.489 0.000 2.260 464 A HA 0.832 5.152 4.320 0.000 0.000 0.314 464 A C -0.650 177.072 177.584 0.230 0.000 1.257 464 A CA -0.471 51.712 52.037 0.244 0.000 0.871 464 A CB 1.142 20.134 19.000 -0.014 0.000 1.166 464 A HN 0.711 nan 8.150 nan 0.000 0.522 465 V N 2.895 122.963 119.914 0.257 0.000 2.378 465 V HA 0.565 4.685 4.120 0.000 0.000 0.288 465 V C 0.904 177.137 176.094 0.232 0.000 1.016 465 V CA -0.337 62.137 62.300 0.290 0.000 0.840 465 V CB 1.385 33.480 31.823 0.453 0.000 0.994 465 V HN 1.094 nan 8.190 nan 0.000 0.431 466 G N 2.953 111.845 108.800 0.153 0.000 2.432 466 G HA2 0.583 4.543 3.960 0.000 0.000 0.257 466 G HA3 0.583 4.543 3.960 0.000 0.000 0.257 466 G C 0.130 175.131 174.900 0.170 0.000 1.238 466 G CA 0.140 45.292 45.100 0.086 0.000 0.838 466 G HN 1.017 nan 8.290 nan 0.000 0.547 467 G N -0.005 108.869 108.800 0.124 0.000 2.533 467 G HA2 0.448 4.408 3.960 0.000 0.000 0.304 467 G HA3 0.448 4.408 3.960 0.000 0.000 0.304 467 G C 0.303 175.271 174.900 0.113 0.000 1.263 467 G CA -0.546 44.672 45.100 0.196 0.000 0.964 467 G HN 0.539 nan 8.290 nan 0.000 0.479 468 Q N -0.333 119.547 119.800 0.134 0.000 2.482 468 Q HA -0.017 4.323 4.340 0.000 0.000 0.209 468 Q C 0.680 176.719 176.000 0.065 0.000 0.961 468 Q CA 0.700 56.553 55.803 0.082 0.000 0.945 468 Q CB 0.306 29.088 28.738 0.073 0.000 1.012 468 Q HN 0.694 nan 8.270 nan 0.000 0.515 469 D N -1.552 118.892 120.400 0.074 0.000 2.336 469 D HA 0.032 4.672 4.640 0.000 0.000 0.228 469 D C -0.087 176.215 176.300 0.003 0.000 1.120 469 D CA -0.202 53.823 54.000 0.042 0.000 0.839 469 D CB 0.231 41.063 40.800 0.054 0.000 0.932 469 D HN -0.172 nan 8.370 nan 0.000 0.509 470 S N -0.842 114.860 115.700 0.004 0.000 3.587 470 S HA -0.206 4.264 4.470 0.000 0.000 0.337 470 S C -0.089 174.482 174.600 -0.047 0.000 1.119 470 S CA 0.721 58.918 58.200 -0.005 0.000 0.976 470 S CB -1.463 61.750 63.200 0.022 0.000 0.922 470 S HN 0.587 nan 8.310 nan 0.000 0.503 471 K N -0.115 120.212 120.400 -0.122 0.000 2.426 471 K HA 0.650 4.970 4.320 0.000 0.000 0.251 471 K C -0.704 175.690 176.600 -0.344 0.000 0.941 471 K CA -0.854 55.268 56.287 -0.276 0.000 0.808 471 K CB 2.270 34.492 32.500 -0.463 0.000 1.265 471 K HN -0.007 nan 8.250 nan 0.000 0.432 472 V N 2.961 122.631 119.914 -0.406 0.000 2.347 472 V HA 0.196 4.316 4.120 0.000 0.000 0.280 472 V C -0.934 174.855 176.094 -0.508 0.000 1.021 472 V CA -0.815 61.284 62.300 -0.336 0.000 0.847 472 V CB 0.541 32.187 31.823 -0.294 0.000 0.990 472 V HN 0.645 nan 8.190 nan 0.000 0.444 473 H N 2.885 121.762 119.070 -0.322 0.000 2.594 473 H HA 0.526 5.082 4.556 0.000 0.000 0.304 473 H C -0.274 174.739 175.328 -0.525 0.000 1.068 473 H CA -0.388 55.376 56.048 -0.473 0.000 1.308 473 H CB 1.274 30.796 29.762 -0.400 0.000 1.409 473 H HN 0.424 nan 8.280 nan 0.000 0.460 474 V N 5.191 124.754 119.914 -0.585 0.000 2.394 474 V HA 0.278 4.398 4.120 0.000 0.000 0.282 474 V C -0.651 175.183 176.094 -0.433 0.000 1.031 474 V CA -0.706 61.324 62.300 -0.449 0.000 0.881 474 V CB 0.113 31.480 31.823 -0.761 0.000 0.982 474 V HN 0.652 nan 8.190 nan 0.000 0.451 475 Y N 2.557 122.929 120.300 0.121 0.000 2.524 475 Y HA 0.575 5.125 4.550 0.000 0.000 0.344 475 Y C 0.287 176.342 175.900 0.259 0.000 1.012 475 Y CA -1.241 56.955 58.100 0.160 0.000 1.068 475 Y CB 1.550 40.089 38.460 0.131 0.000 1.249 475 Y HN 0.316 nan 8.280 nan 0.000 0.468 476 K N 2.285 122.898 120.400 0.355 0.000 2.201 476 K HA 0.400 4.720 4.320 0.000 0.000 0.278 476 K C -1.267 175.409 176.600 0.127 0.000 1.027 476 K CA -0.624 55.775 56.287 0.186 0.000 0.909 476 K CB 1.647 34.209 32.500 0.104 0.000 1.062 476 K HN 0.623 nan 8.250 nan 0.000 0.465 477 L N 1.583 122.835 121.223 0.048 0.000 2.317 477 L HA 0.419 4.759 4.340 0.000 0.000 0.281 477 L C -0.604 176.261 176.870 -0.009 0.000 1.024 477 L CA 0.138 54.997 54.840 0.033 0.000 0.810 477 L CB 1.901 43.985 42.059 0.041 0.000 1.240 477 L HN 0.520 nan 8.230 nan 0.000 0.427 478 S N 3.714 119.414 115.700 -0.001 0.000 2.737 478 S HA 0.637 5.107 4.470 0.000 0.000 0.269 478 S C 0.269 174.867 174.600 -0.003 0.000 1.150 478 S CA 0.166 58.361 58.200 -0.009 0.000 1.077 478 S CB 0.200 63.394 63.200 -0.011 0.000 1.075 478 S HN 1.572 nan 8.310 nan 0.000 0.476 479 G N 4.309 113.110 108.800 0.001 0.000 2.620 479 G HA2 -0.253 3.707 3.960 0.000 0.000 0.315 479 G HA3 -0.253 3.707 3.960 0.000 0.000 0.315 479 G C 0.797 175.704 174.900 0.012 0.000 1.179 479 G CA 0.417 45.522 45.100 0.008 0.000 0.971 479 G HN 1.901 nan 8.290 nan 0.000 0.544 480 A N -0.375 122.449 122.820 0.006 0.000 2.538 480 A HA 0.722 5.042 4.320 0.000 0.000 0.269 480 A C 0.883 178.463 177.584 -0.008 0.000 1.231 480 A CA 1.639 53.678 52.037 0.003 0.000 0.948 480 A CB 0.166 19.170 19.000 0.007 0.000 1.110 480 A HN 1.793 nan 8.150 nan 0.000 0.529 481 S N 0.978 116.676 115.700 -0.004 0.000 2.457 481 S HA 0.540 5.010 4.470 0.000 0.000 0.289 481 S C -0.117 174.486 174.600 0.005 0.000 1.163 481 S CA -0.143 58.056 58.200 -0.003 0.000 1.078 481 S CB 0.578 63.780 63.200 0.003 0.000 0.987 481 S HN 1.009 nan 8.310 nan 0.000 0.482 482 V N 2.851 122.764 119.914 -0.002 0.000 2.715 482 V HA 0.881 5.001 4.120 0.000 0.000 0.310 482 V C -0.295 175.873 176.094 0.123 0.000 1.054 482 V CA -0.614 61.707 62.300 0.035 0.000 0.928 482 V CB 1.780 33.523 31.823 -0.132 0.000 1.007 482 V HN 0.746 nan 8.190 nan 0.000 0.437 483 S N 2.263 118.091 115.700 0.213 0.000 2.707 483 S HA 0.404 4.874 4.470 0.000 0.000 0.303 483 S C -0.562 174.205 174.600 0.278 0.000 1.132 483 S CA -0.499 57.824 58.200 0.206 0.000 1.046 483 S CB 1.241 64.515 63.200 0.124 0.000 1.004 483 S HN 1.000 nan 8.310 nan 0.000 0.483 484 E N 2.138 122.493 120.200 0.259 0.000 2.257 484 E HA 0.213 4.563 4.350 0.000 0.000 0.278 484 E C 0.799 177.380 176.600 -0.031 0.000 1.049 484 E CA -0.309 56.099 56.400 0.012 0.000 0.876 484 E CB 0.536 30.183 29.700 -0.088 0.000 1.035 484 E HN 0.532 nan 8.360 nan 0.000 0.419 485 V N 1.298 121.165 119.914 -0.078 0.000 3.643 485 V HA 0.400 4.520 4.120 0.000 0.000 0.280 485 V C 0.071 176.077 176.094 -0.146 0.000 1.351 485 V CA -0.047 62.231 62.300 -0.036 0.000 1.073 485 V CB 0.116 32.002 31.823 0.104 0.000 0.863 485 V HN 0.437 nan 8.190 nan 0.000 0.436 486 K N 0.065 120.281 120.400 -0.307 0.000 2.569 486 K HA 0.604 4.924 4.320 0.000 0.000 0.259 486 K C -1.260 175.065 176.600 -0.458 0.000 0.932 486 K CA 0.075 56.136 56.287 -0.378 0.000 0.833 486 K CB 2.132 34.294 32.500 -0.563 0.000 1.340 486 K HN 0.151 nan 8.250 nan 0.000 0.429 487 T N 4.323 118.640 114.554 -0.394 0.000 2.934 487 T HA 0.487 4.837 4.350 0.000 0.000 0.328 487 T C -0.333 174.123 174.700 -0.407 0.000 1.068 487 T CA -0.489 61.327 62.100 -0.473 0.000 1.018 487 T CB -0.078 68.556 68.868 -0.390 0.000 1.009 487 T HN 0.391 nan 8.240 nan 0.000 0.471 488 I N 3.071 123.370 120.570 -0.450 0.000 2.342 488 I HA 0.338 4.508 4.170 0.000 0.000 0.291 488 I C 0.117 176.113 176.117 -0.201 0.000 1.010 488 I CA -0.937 60.151 61.300 -0.352 0.000 1.308 488 I CB 1.255 38.952 38.000 -0.506 0.000 1.400 488 I HN 0.230 nan 8.210 nan 0.000 0.488 489 V N 6.484 126.325 119.914 -0.123 0.000 2.465 489 V HA 0.278 4.398 4.120 0.000 0.000 0.279 489 V C 0.184 176.305 176.094 0.045 0.000 1.045 489 V CA -0.362 61.908 62.300 -0.050 0.000 0.938 489 V CB 0.734 32.511 31.823 -0.076 0.000 0.986 489 V HN 0.629 nan 8.190 nan 0.000 0.467 490 H N 6.087 125.116 119.070 -0.068 0.000 2.710 490 H HA 0.373 4.929 4.556 0.000 0.000 0.361 490 H C -1.607 173.705 175.328 -0.026 0.000 1.175 490 H CA -1.728 54.305 56.048 -0.026 0.000 1.206 490 H CB 2.706 32.461 29.762 -0.012 0.000 1.750 490 H HN 0.371 nan 8.280 nan 0.000 0.553 491 P HA 0.115 nan 4.420 nan 0.000 0.236 491 P C -0.221 177.111 177.300 0.053 0.000 1.177 491 P CA 0.523 63.642 63.100 0.032 0.000 0.773 491 P CB 1.079 32.781 31.700 0.003 0.000 0.878 492 A N -0.590 122.285 122.820 0.092 0.000 2.567 492 A HA 0.447 4.767 4.320 0.000 0.000 0.289 492 A C -0.897 176.723 177.584 0.061 0.000 1.177 492 A CA -0.727 51.351 52.037 0.068 0.000 0.694 492 A CB 0.683 19.720 19.000 0.062 0.000 1.292 492 A HN -0.111 nan 8.150 nan 0.000 0.425 493 E N 0.827 121.050 120.200 0.039 0.000 2.414 493 E HA 0.166 4.516 4.350 0.000 0.000 0.263 493 E C -0.348 176.249 176.600 -0.006 0.000 1.000 493 E CA -0.072 56.341 56.400 0.022 0.000 0.914 493 E CB 0.347 30.068 29.700 0.036 0.000 0.948 493 E HN 0.366 nan 8.360 nan 0.000 0.444 494 I N 3.016 123.557 120.570 -0.049 0.000 2.588 494 I HA -0.068 4.102 4.170 0.000 0.000 0.283 494 I C 1.647 177.751 176.117 -0.022 0.000 1.119 494 I CA 0.575 61.815 61.300 -0.099 0.000 1.419 494 I CB 0.535 38.453 38.000 -0.137 0.000 1.394 494 I HN 0.679 nan 8.210 nan 0.000 0.562 495 T N 0.365 114.908 114.554 -0.019 0.000 2.978 495 T HA 0.186 4.536 4.350 0.000 0.000 0.248 495 T C 0.547 175.257 174.700 0.017 0.000 1.018 495 T CA 0.316 62.423 62.100 0.011 0.000 1.026 495 T CB 0.294 69.167 68.868 0.009 0.000 1.032 495 T HN 0.687 nan 8.240 nan 0.000 0.485 496 S N 0.244 115.947 115.700 0.004 0.000 2.587 496 S HA 0.704 5.174 4.470 0.000 0.000 0.269 496 S C -1.399 173.210 174.600 0.015 0.000 1.154 496 S CA -0.302 57.911 58.200 0.021 0.000 0.824 496 S CB 1.751 64.964 63.200 0.021 0.000 1.118 496 S HN 1.226 nan 8.310 nan 0.000 0.462 497 V N -2.451 117.488 119.914 0.042 0.000 3.147 497 V HA 1.050 5.170 4.120 0.000 0.000 0.299 497 V C -0.688 175.470 176.094 0.106 0.000 1.302 497 V CA -0.320 62.008 62.300 0.046 0.000 1.015 497 V CB 0.864 32.688 31.823 0.001 0.000 1.086 497 V HN 2.464 nan 8.190 nan 0.000 0.437 498 A N 2.387 125.290 122.820 0.138 0.000 2.555 498 A HA 0.856 5.176 4.320 0.000 0.000 0.297 498 A C -1.657 176.163 177.584 0.394 0.000 1.060 498 A CA -0.375 51.845 52.037 0.304 0.000 0.710 498 A CB 1.360 20.594 19.000 0.391 0.000 1.282 498 A HN 1.053 nan 8.150 nan 0.000 0.399 499 F N 1.819 121.987 119.950 0.363 0.000 2.399 499 F HA 0.543 5.070 4.527 0.000 0.000 0.334 499 F C 1.393 177.074 175.800 -0.198 0.000 1.097 499 F CA 0.213 58.299 58.000 0.144 0.000 1.076 499 F CB 2.035 41.104 39.000 0.116 0.000 1.162 499 F HN 0.654 nan 8.300 nan 0.000 0.495 500 S N 1.983 117.333 115.700 -0.583 0.000 2.585 500 S HA 0.115 4.585 4.470 0.000 0.000 0.273 500 S C 0.946 175.401 174.600 -0.242 0.000 1.339 500 S CA -0.837 56.811 58.200 -0.920 0.000 1.028 500 S CB 0.675 63.171 63.200 -1.173 0.000 0.906 500 S HN 0.619 nan 8.310 nan 0.000 0.528 501 N N 2.776 121.405 118.700 -0.117 0.000 2.094 501 N HA -0.174 4.566 4.740 0.000 0.000 0.191 501 N C 1.341 176.815 175.510 -0.059 0.000 1.023 501 N CA 1.778 54.812 53.050 -0.028 0.000 0.857 501 N CB -0.856 37.640 38.487 0.015 0.000 1.013 501 N HN 0.920 nan 8.380 nan 0.000 0.426 502 N N -0.056 118.584 118.700 -0.101 0.000 2.521 502 N HA 0.022 4.762 4.740 0.000 0.000 0.188 502 N C 1.019 176.450 175.510 -0.130 0.000 1.146 502 N CA 0.930 53.919 53.050 -0.103 0.000 0.893 502 N CB -0.450 37.974 38.487 -0.106 0.000 0.975 502 N HN 0.238 nan 8.380 nan 0.000 0.451 503 G N -0.983 107.737 108.800 -0.133 0.000 2.155 503 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 503 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 503 G C 0.979 175.774 174.900 -0.176 0.000 0.983 503 G CA 0.646 45.684 45.100 -0.105 0.000 0.676 503 G HN 0.805 nan 8.290 nan 0.000 0.528 504 A N -1.322 121.295 122.820 -0.337 0.000 2.016 504 A HA 0.635 4.955 4.320 0.000 0.000 0.217 504 A C 0.670 177.754 177.584 -0.833 0.000 1.162 504 A CA 1.133 52.790 52.037 -0.635 0.000 0.662 504 A CB 0.062 18.553 19.000 -0.849 0.000 0.812 504 A HN 0.682 nan 8.150 nan 0.000 0.450 505 F N -2.124 117.693 119.950 -0.221 0.000 2.588 505 F HA 0.651 5.178 4.527 0.000 0.000 0.314 505 F C -0.612 175.195 175.800 0.012 0.000 1.069 505 F CA -1.503 56.410 58.000 -0.146 0.000 0.931 505 F CB 1.987 40.842 39.000 -0.243 0.000 1.260 505 F HN -0.046 nan 8.300 nan 0.000 0.465 506 L N 2.793 124.249 121.223 0.389 0.000 2.376 506 L HA 0.815 5.155 4.340 0.000 0.000 0.275 506 L C -1.670 175.432 176.870 0.387 0.000 0.987 506 L CA -0.667 54.302 54.840 0.216 0.000 0.828 506 L CB 1.583 43.697 42.059 0.092 0.000 1.249 506 L HN 0.481 nan 8.230 nan 0.000 0.409 507 V N 4.957 125.098 119.914 0.379 0.000 2.667 507 V HA 0.989 5.109 4.120 0.000 0.000 0.308 507 V C -0.532 175.636 176.094 0.124 0.000 1.048 507 V CA 0.203 62.631 62.300 0.213 0.000 0.928 507 V CB 1.721 33.588 31.823 0.075 0.000 1.004 507 V HN 1.134 nan 8.190 nan 0.000 0.444 508 A N 3.719 126.602 122.820 0.106 0.000 2.455 508 A HA 0.840 5.160 4.320 0.000 0.000 0.300 508 A C -0.332 177.286 177.584 0.057 0.000 1.040 508 A CA -0.087 51.989 52.037 0.065 0.000 0.697 508 A CB 1.925 20.964 19.000 0.065 0.000 1.265 508 A HN 1.186 nan 8.150 nan 0.000 0.407 509 T N -0.528 114.026 114.554 -0.001 0.000 2.888 509 T HA 0.752 5.102 4.350 0.000 0.000 0.284 509 T C -0.651 174.049 174.700 -0.000 0.000 1.017 509 T CA -0.337 61.781 62.100 0.030 0.000 1.022 509 T CB 1.459 70.339 68.868 0.020 0.000 1.013 509 T HN 0.793 nan 8.240 nan 0.000 0.465 510 D N 0.498 120.940 120.400 0.071 0.000 2.533 510 D HA 0.248 4.888 4.640 0.000 0.000 0.247 510 D C 0.891 177.228 176.300 0.062 0.000 1.056 510 D CA -0.954 53.082 54.000 0.060 0.000 1.054 510 D CB 0.882 41.786 40.800 0.174 0.000 1.400 510 D HN 0.479 nan 8.370 nan 0.000 0.533 511 Q N -0.456 119.375 119.800 0.050 0.000 2.500 511 Q HA -0.057 4.283 4.340 0.000 0.000 0.213 511 Q C 1.106 177.135 176.000 0.049 0.000 0.974 511 Q CA 1.074 56.903 55.803 0.044 0.000 0.918 511 Q CB -0.135 28.626 28.738 0.038 0.000 0.980 511 Q HN 0.599 nan 8.270 nan 0.000 0.505 512 S N -0.228 115.509 115.700 0.061 0.000 2.593 512 S HA 0.080 4.550 4.470 0.000 0.000 0.217 512 S C 0.628 175.265 174.600 0.062 0.000 0.966 512 S CA -0.218 58.014 58.200 0.053 0.000 0.914 512 S CB 0.153 63.382 63.200 0.048 0.000 0.776 512 S HN 0.364 nan 8.310 nan 0.000 0.523 513 R N -0.394 120.152 120.500 0.078 0.000 3.919 513 R HA -0.094 4.246 4.340 0.000 0.000 0.412 513 R C -0.641 175.740 176.300 0.136 0.000 1.102 513 R CA 0.989 57.156 56.100 0.112 0.000 1.082 513 R CB -1.892 28.481 30.300 0.121 0.000 1.671 513 R HN 0.468 nan 8.270 nan 0.000 0.540 514 K N 0.840 121.300 120.400 0.100 0.000 2.154 514 K HA 0.413 4.733 4.320 0.000 0.000 0.264 514 K C -0.086 176.550 176.600 0.059 0.000 1.008 514 K CA -0.167 56.164 56.287 0.073 0.000 0.937 514 K CB 1.502 34.023 32.500 0.034 0.000 1.002 514 K HN -0.174 nan 8.250 nan 0.000 0.469 515 V N 4.914 124.812 119.914 -0.025 0.000 2.357 515 V HA 0.329 4.450 4.120 0.000 0.000 0.281 515 V C -0.537 175.460 176.094 -0.161 0.000 1.015 515 V CA -0.637 61.592 62.300 -0.118 0.000 0.827 515 V CB 0.746 32.323 31.823 -0.410 0.000 1.018 515 V HN 0.580 nan 8.190 nan 0.000 0.432 516 I N 7.678 128.145 120.570 -0.172 0.000 2.382 516 I HA 0.449 4.619 4.170 0.000 0.000 0.285 516 I C -2.498 173.228 176.117 -0.652 0.000 1.007 516 I CA -1.875 59.155 61.300 -0.450 0.000 1.142 516 I CB 2.649 40.372 38.000 -0.462 0.000 1.289 516 I HN 0.368 nan 8.210 nan 0.000 0.453 517 P HA 0.354 nan 4.420 nan 0.000 0.290 517 P C -1.694 175.179 177.300 -0.712 0.000 1.275 517 P CA -0.425 62.367 63.100 -0.514 0.000 0.841 517 P CB 1.180 32.643 31.700 -0.394 0.000 1.042 518 Y N -1.009 119.328 120.300 0.062 0.000 2.462 518 Y HA 0.323 4.873 4.550 0.000 0.000 0.346 518 Y C 0.895 176.899 175.900 0.172 0.000 0.976 518 Y CA -0.840 57.303 58.100 0.073 0.000 1.044 518 Y CB 2.039 40.575 38.460 0.127 0.000 1.230 518 Y HN 0.221 nan 8.280 nan 0.000 0.455 519 S N 1.631 117.471 115.700 0.233 0.000 2.422 519 S HA 0.192 4.662 4.470 0.000 0.000 0.283 519 S C 0.855 175.305 174.600 -0.250 0.000 1.163 519 S CA -0.450 57.791 58.200 0.069 0.000 1.054 519 S CB 0.129 63.363 63.200 0.056 0.000 0.967 519 S HN 0.605 nan 8.310 nan 0.000 0.499 520 V N 5.902 125.543 119.914 -0.454 0.000 2.407 520 V HA -0.171 3.949 4.120 0.000 0.000 0.248 520 V C 2.676 178.432 176.094 -0.564 0.000 1.055 520 V CA 2.218 64.004 62.300 -0.857 0.000 1.049 520 V CB -1.203 30.247 31.823 -0.621 0.000 0.662 520 V HN 0.951 nan 8.190 nan 0.000 0.455 521 A N 0.102 122.707 122.820 -0.358 0.000 2.015 521 A HA -0.150 4.170 4.320 0.000 0.000 0.219 521 A C 1.674 179.159 177.584 -0.165 0.000 1.163 521 A CA 1.736 53.638 52.037 -0.225 0.000 0.646 521 A CB -0.548 18.336 19.000 -0.194 0.000 0.806 521 A HN 0.602 nan 8.150 nan 0.000 0.448 522 N N -0.055 118.546 118.700 -0.165 0.000 2.327 522 N HA 0.102 4.842 4.740 0.000 0.000 0.231 522 N C 0.044 175.511 175.510 -0.070 0.000 1.130 522 N CA 0.280 53.277 53.050 -0.087 0.000 0.845 522 N CB -0.082 38.379 38.487 -0.043 0.000 1.073 522 N HN 0.460 nan 8.380 nan 0.000 0.496 523 N N 0.635 119.260 118.700 -0.126 0.000 2.758 523 N HA -0.261 4.479 4.740 0.000 0.000 0.248 523 N C -1.021 174.559 175.510 0.116 0.000 1.076 523 N CA 0.329 53.370 53.050 -0.014 0.000 0.696 523 N CB -1.777 36.739 38.487 0.048 0.000 0.979 523 N HN 0.293 nan 8.380 nan 0.000 0.550 524 F N -2.516 117.394 119.950 -0.067 0.000 3.074 524 F HA -0.275 4.252 4.527 0.000 0.000 0.289 524 F C 0.706 176.487 175.800 -0.031 0.000 0.863 524 F CA 1.074 59.030 58.000 -0.072 0.000 1.121 524 F CB -1.397 37.473 39.000 -0.217 0.000 1.169 524 F HN 0.216 nan 8.300 nan 0.000 0.570 525 E N 0.658 120.931 120.200 0.122 0.000 2.314 525 E HA 0.449 4.799 4.350 0.000 0.000 0.262 525 E C 0.605 177.329 176.600 0.207 0.000 1.093 525 E CA -0.872 55.603 56.400 0.125 0.000 0.908 525 E CB 0.797 30.526 29.700 0.049 0.000 1.091 525 E HN 0.231 nan 8.360 nan 0.000 0.425 526 L N 1.591 122.910 121.223 0.160 0.000 2.578 526 L HA -0.105 4.235 4.340 0.000 0.000 0.279 526 L C 1.457 178.258 176.870 -0.114 0.000 1.227 526 L CA 0.071 54.901 54.840 -0.018 0.000 0.900 526 L CB 0.202 42.202 42.059 -0.099 0.000 1.144 526 L HN 0.643 nan 8.230 nan 0.000 0.496 527 A N 4.059 126.713 122.820 -0.276 0.000 1.968 527 A HA -0.025 4.295 4.320 0.000 0.000 0.217 527 A C 0.718 178.175 177.584 -0.212 0.000 1.169 527 A CA 1.037 52.950 52.037 -0.206 0.000 0.638 527 A CB -0.355 18.465 19.000 -0.300 0.000 0.812 527 A HN 0.895 nan 8.150 nan 0.000 0.446 528 H N -4.455 114.461 119.070 -0.256 0.000 3.017 528 H HA 0.344 4.900 4.556 0.000 0.000 0.346 528 H C 0.204 175.371 175.328 -0.268 0.000 1.286 528 H CA 0.075 55.974 56.048 -0.249 0.000 1.120 528 H CB 0.480 30.049 29.762 -0.322 0.000 1.860 528 H HN 0.048 nan 8.280 nan 0.000 0.542 529 T N -1.521 113.043 114.554 0.017 0.000 3.067 529 T HA 0.018 4.368 4.350 0.000 0.000 0.257 529 T C 0.272 174.955 174.700 -0.027 0.000 1.105 529 T CA -0.038 62.041 62.100 -0.034 0.000 1.104 529 T CB -0.551 68.299 68.868 -0.030 0.000 0.925 529 T HN 0.493 nan 8.240 nan 0.000 0.498 530 N N 2.329 121.012 118.700 -0.029 0.000 2.395 530 N HA 0.222 4.962 4.740 0.000 0.000 0.246 530 N C -0.414 175.041 175.510 -0.092 0.000 1.246 530 N CA 0.143 53.137 53.050 -0.093 0.000 0.879 530 N CB 0.482 38.828 38.487 -0.237 0.000 1.098 530 N HN 0.171 nan 8.380 nan 0.000 0.444 531 S N 1.027 116.732 115.700 0.008 0.000 2.438 531 S HA 0.278 4.748 4.470 0.000 0.000 0.293 531 S C -1.093 173.665 174.600 0.263 0.000 1.141 531 S CA -0.686 57.537 58.200 0.040 0.000 1.080 531 S CB 0.062 63.271 63.200 0.016 0.000 0.978 531 S HN 0.448 nan 8.310 nan 0.000 0.479 532 W N 4.396 125.681 121.300 -0.025 0.000 2.243 532 W HA 0.320 4.980 4.660 0.000 0.000 0.331 532 W C 0.293 176.832 176.519 0.033 0.000 0.895 532 W CA -1.130 56.199 57.345 -0.026 0.000 1.580 532 W CB 0.072 29.112 29.460 -0.701 0.000 1.568 532 W HN 0.689 nan 8.180 nan 0.000 0.372 533 T N -0.429 114.323 114.554 0.329 0.000 3.317 533 T HA 0.292 4.642 4.350 0.000 0.000 0.361 533 T C 0.226 174.944 174.700 0.029 0.000 1.499 533 T CA -0.261 61.937 62.100 0.164 0.000 1.529 533 T CB -0.731 68.154 68.868 0.028 0.000 0.997 533 T HN -0.014 nan 8.240 nan 0.000 0.624 534 F N 0.099 120.153 119.950 0.173 0.000 2.694 534 F HA 0.307 4.834 4.527 0.000 0.000 0.292 534 F C 1.583 177.353 175.800 -0.049 0.000 1.121 534 F CA -0.503 57.497 58.000 0.000 0.000 1.352 534 F CB 0.065 38.962 39.000 -0.172 0.000 1.107 534 F HN 0.463 nan 8.300 nan 0.000 0.597 535 H N 0.648 119.872 119.070 0.258 0.000 2.815 535 H HA 0.073 4.629 4.556 0.000 0.000 0.350 535 H C 1.328 176.701 175.328 0.075 0.000 1.080 535 H CA 1.071 57.199 56.048 0.132 0.000 1.433 535 H CB 1.022 30.862 29.762 0.130 0.000 1.432 535 H HN 0.086 nan 8.280 nan 0.000 0.592 536 T N -0.282 114.383 114.554 0.185 0.000 3.105 536 T HA 0.567 4.917 4.350 0.000 0.000 0.253 536 T C 0.552 175.298 174.700 0.075 0.000 1.047 536 T CA 0.033 62.191 62.100 0.096 0.000 0.944 536 T CB 0.292 69.197 68.868 0.061 0.000 1.016 536 T HN 0.622 nan 8.240 nan 0.000 0.544 537 A N 0.850 123.722 122.820 0.087 0.000 2.588 537 A HA 0.665 4.985 4.320 0.000 0.000 0.290 537 A C -0.705 176.880 177.584 0.003 0.000 1.136 537 A CA -1.176 50.881 52.037 0.033 0.000 0.681 537 A CB 0.987 19.993 19.000 0.009 0.000 1.282 537 A HN 0.285 nan 8.150 nan 0.000 0.421 538 K N 0.699 121.090 120.400 -0.015 0.000 2.543 538 K HA 0.197 4.517 4.320 0.000 0.000 0.279 538 K C -0.620 175.916 176.600 -0.105 0.000 1.001 538 K CA 0.234 56.502 56.287 -0.032 0.000 1.088 538 K CB -0.014 32.475 32.500 -0.019 0.000 0.863 538 K HN 0.406 nan 8.250 nan 0.000 0.488 539 V N 4.839 124.692 119.914 -0.102 0.000 2.432 539 V HA 0.147 4.267 4.120 0.000 0.000 0.271 539 V C 0.978 177.012 176.094 -0.100 0.000 1.046 539 V CA 0.319 62.512 62.300 -0.178 0.000 0.945 539 V CB 0.850 32.627 31.823 -0.077 0.000 0.992 539 V HN 0.977 nan 8.190 nan 0.000 0.471 540 A N 4.023 126.773 122.820 -0.117 0.000 2.140 540 A HA 0.340 4.660 4.320 0.000 0.000 0.209 540 A C 0.888 178.446 177.584 -0.044 0.000 1.181 540 A CA 0.818 52.815 52.037 -0.067 0.000 0.824 540 A CB 0.068 19.020 19.000 -0.078 0.000 0.879 540 A HN 1.010 nan 8.150 nan 0.000 0.480 541 C N -3.528 115.742 119.300 -0.050 0.000 3.285 541 C HA 0.793 5.253 4.460 0.000 0.000 0.325 541 C C -0.934 174.055 174.990 -0.001 0.000 1.304 541 C CA -0.826 58.182 59.018 -0.018 0.000 1.319 541 C CB 0.925 28.649 27.740 -0.027 0.000 1.640 541 C HN 0.580 nan 8.230 nan 0.000 0.477 542 V N 0.942 120.872 119.914 0.026 0.000 3.012 542 V HA 0.897 5.017 4.120 0.000 0.000 0.307 542 V C -0.808 175.327 176.094 0.068 0.000 1.166 542 V CA 0.439 62.755 62.300 0.027 0.000 0.974 542 V CB 2.149 33.962 31.823 -0.016 0.000 1.040 542 V HN 1.595 nan 8.190 nan 0.000 0.428 543 S N 4.411 120.167 115.700 0.094 0.000 2.537 543 S HA 0.696 5.166 4.470 0.000 0.000 0.270 543 S C -1.959 172.784 174.600 0.239 0.000 1.142 543 S CA -0.514 57.826 58.200 0.233 0.000 0.870 543 S CB 1.256 64.650 63.200 0.324 0.000 1.112 543 S HN 0.703 nan 8.310 nan 0.000 0.466 544 W N 2.173 123.587 121.300 0.191 0.000 2.449 544 W HA 0.593 5.254 4.660 0.000 0.000 0.331 544 W C 0.902 177.112 176.519 -0.514 0.000 1.119 544 W CA -0.236 57.064 57.345 -0.074 0.000 1.240 544 W CB 1.369 30.833 29.460 0.007 0.000 1.251 544 W HN 0.638 nan 8.180 nan 0.000 0.576 545 S N 2.313 117.495 115.700 -0.864 0.000 2.592 545 S HA 0.215 4.686 4.470 0.000 0.000 0.271 545 S C -1.511 172.939 174.600 -0.250 0.000 1.326 545 S CA -1.149 56.343 58.200 -1.179 0.000 1.024 545 S CB 0.881 63.138 63.200 -1.572 0.000 0.921 545 S HN 0.242 nan 8.310 nan 0.000 0.527 546 P HA -0.052 nan 4.420 nan 0.000 0.228 546 P C 0.486 177.812 177.300 0.043 0.000 1.151 546 P CA 0.827 63.955 63.100 0.047 0.000 0.770 546 P CB -0.103 31.660 31.700 0.105 0.000 0.786 547 D N -1.696 118.721 120.400 0.028 0.000 2.349 547 D HA -0.091 4.549 4.640 0.000 0.000 0.224 547 D C 0.307 176.659 176.300 0.087 0.000 1.029 547 D CA 0.078 54.128 54.000 0.082 0.000 0.879 547 D CB -1.186 39.713 40.800 0.165 0.000 0.906 547 D HN -0.024 nan 8.370 nan 0.000 0.528 548 N N -0.747 118.002 118.700 0.081 0.000 2.714 548 N HA -0.153 4.587 4.740 0.000 0.000 0.250 548 N C 0.308 175.970 175.510 0.254 0.000 1.117 548 N CA 0.890 53.993 53.050 0.089 0.000 0.719 548 N CB -1.285 37.208 38.487 0.010 0.000 1.081 548 N HN 0.306 nan 8.380 nan 0.000 0.557 549 V N -0.949 119.134 119.914 0.282 0.000 3.103 549 V HA 0.126 4.246 4.120 0.000 0.000 0.229 549 V C 1.058 177.320 176.094 0.280 0.000 1.304 549 V CA 0.603 63.080 62.300 0.296 0.000 1.298 549 V CB 0.629 32.581 31.823 0.214 0.000 1.093 549 V HN 0.114 nan 8.190 nan 0.000 0.489 550 R N 1.186 121.755 120.500 0.114 0.000 2.536 550 R HA 0.761 5.101 4.340 0.000 0.000 0.279 550 R C -0.935 175.266 176.300 -0.164 0.000 1.001 550 R CA -0.340 55.748 56.100 -0.019 0.000 1.027 550 R CB 1.580 31.813 30.300 -0.111 0.000 1.096 550 R HN 0.378 nan 8.270 nan 0.000 0.502 551 L N -2.024 119.162 121.223 -0.063 0.000 2.403 551 L HA 0.991 5.331 4.340 0.000 0.000 0.253 551 L C -1.241 175.840 176.870 0.351 0.000 1.045 551 L CA -1.178 53.610 54.840 -0.087 0.000 0.845 551 L CB 2.335 43.950 42.059 -0.741 0.000 1.447 551 L HN 0.662 nan 8.230 nan 0.000 0.411 552 A N 0.377 123.451 122.820 0.424 0.000 2.475 552 A HA 0.902 5.222 4.320 0.000 0.000 0.301 552 A C -0.596 177.077 177.584 0.148 0.000 1.059 552 A CA -0.168 52.008 52.037 0.230 0.000 0.710 552 A CB 1.904 20.903 19.000 -0.002 0.000 1.288 552 A HN 0.902 nan 8.150 nan 0.000 0.408 553 T N -0.752 113.891 114.554 0.148 0.000 2.876 553 T HA 0.765 5.115 4.350 0.000 0.000 0.289 553 T C 0.038 174.759 174.700 0.034 0.000 1.014 553 T CA -0.124 62.071 62.100 0.158 0.000 0.986 553 T CB 1.752 70.863 68.868 0.405 0.000 1.021 553 T HN 1.464 nan 8.240 nan 0.000 0.458 554 G N 0.341 109.098 108.800 -0.071 0.000 2.416 554 G HA2 0.596 4.556 3.960 0.000 0.000 0.329 554 G HA3 0.596 4.556 3.960 0.000 0.000 0.329 554 G C -0.870 173.886 174.900 -0.240 0.000 1.173 554 G CA -0.684 44.329 45.100 -0.146 0.000 0.929 554 G HN 0.917 nan 8.290 nan 0.000 0.475 555 S N 0.756 116.292 115.700 -0.273 0.000 2.627 555 S HA 0.404 4.874 4.470 0.000 0.000 0.283 555 S C 0.719 175.222 174.600 -0.162 0.000 1.127 555 S CA -0.678 57.330 58.200 -0.320 0.000 0.863 555 S CB 1.459 64.277 63.200 -0.637 0.000 1.121 555 S HN 0.274 nan 8.310 nan 0.000 0.479 556 L N 2.325 123.475 121.223 -0.122 0.000 2.549 556 L HA 0.070 4.410 4.340 0.000 0.000 0.229 556 L C 1.425 178.270 176.870 -0.041 0.000 1.158 556 L CA 1.316 56.116 54.840 -0.067 0.000 0.842 556 L CB -0.630 41.403 42.059 -0.044 0.000 0.952 556 L HN 0.803 nan 8.230 nan 0.000 0.452 557 D N -2.466 117.914 120.400 -0.033 0.000 2.323 557 D HA -0.073 4.567 4.640 0.000 0.000 0.239 557 D C 0.370 176.670 176.300 0.001 0.000 1.129 557 D CA 0.040 54.043 54.000 0.005 0.000 0.865 557 D CB -0.444 40.388 40.800 0.052 0.000 0.913 557 D HN 0.188 nan 8.370 nan 0.000 0.517 558 N N -1.013 117.680 118.700 -0.011 0.000 2.863 558 N HA -0.198 4.543 4.740 0.000 0.000 0.245 558 N C -0.486 175.016 175.510 -0.013 0.000 1.001 558 N CA 1.327 54.380 53.050 0.004 0.000 0.901 558 N CB -2.015 36.477 38.487 0.009 0.000 1.124 558 N HN 0.597 nan 8.380 nan 0.000 0.582 559 S N -1.874 113.801 115.700 -0.042 0.000 2.638 559 S HA 0.830 5.300 4.470 0.000 0.000 0.302 559 S C -0.331 174.189 174.600 -0.134 0.000 1.096 559 S CA -0.666 57.465 58.200 -0.114 0.000 0.953 559 S CB 3.128 66.268 63.200 -0.099 0.000 1.107 559 S HN -0.009 nan 8.310 nan 0.000 0.503 560 V N 1.848 121.572 119.914 -0.318 0.000 2.540 560 V HA 0.547 4.667 4.120 0.000 0.000 0.302 560 V C -0.715 175.099 176.094 -0.466 0.000 1.035 560 V CA -0.649 61.429 62.300 -0.370 0.000 0.873 560 V CB 1.346 32.805 31.823 -0.607 0.000 0.992 560 V HN 0.875 nan 8.190 nan 0.000 0.428 561 I N 4.611 124.943 120.570 -0.395 0.000 2.465 561 I HA 0.474 4.644 4.170 0.000 0.000 0.291 561 I C -0.705 174.945 176.117 -0.779 0.000 1.014 561 I CA -0.913 59.948 61.300 -0.731 0.000 1.093 561 I CB 2.274 39.638 38.000 -1.061 0.000 1.267 561 I HN 0.241 nan 8.210 nan 0.000 0.431 562 V N 5.532 124.973 119.914 -0.787 0.000 2.350 562 V HA 0.280 4.400 4.120 0.000 0.000 0.276 562 V C -0.744 174.955 176.094 -0.659 0.000 1.028 562 V CA -0.407 61.600 62.300 -0.489 0.000 0.860 562 V CB 0.725 32.390 31.823 -0.264 0.000 0.990 562 V HN 0.567 nan 8.190 nan 0.000 0.453 563 W N 3.173 124.243 121.300 -0.383 0.000 2.509 563 W HA 0.564 5.224 4.660 0.000 0.000 0.351 563 W C 0.304 176.614 176.519 -0.349 0.000 1.107 563 W CA -0.534 56.417 57.345 -0.658 0.000 1.264 563 W CB 0.800 29.575 29.460 -1.141 0.000 1.312 563 W HN 0.463 nan 8.180 nan 0.000 0.608 564 N N 1.753 120.436 118.700 -0.029 0.000 2.531 564 N HA 0.179 4.919 4.740 0.000 0.000 0.268 564 N C 0.532 176.238 175.510 0.328 0.000 1.023 564 N CA -0.355 52.779 53.050 0.138 0.000 0.896 564 N CB 0.937 39.476 38.487 0.087 0.000 1.233 564 N HN 0.328 nan 8.380 nan 0.000 0.512 565 M N 1.535 121.340 119.600 0.341 0.000 2.267 565 M HA -0.076 4.404 4.480 0.000 0.000 0.263 565 M C 0.641 177.056 176.300 0.191 0.000 1.063 565 M CA 0.965 56.440 55.300 0.291 0.000 1.090 565 M CB -0.697 31.949 32.600 0.076 0.000 1.392 565 M HN 0.483 nan 8.290 nan 0.000 0.422 566 N N 0.740 119.545 118.700 0.175 0.000 2.409 566 N HA -0.037 4.703 4.740 0.000 0.000 0.179 566 N C 0.128 175.705 175.510 0.113 0.000 1.032 566 N CA 0.809 53.940 53.050 0.134 0.000 0.898 566 N CB 0.179 38.739 38.487 0.123 0.000 0.971 566 N HN 0.267 nan 8.380 nan 0.000 0.441 567 K N 0.693 121.171 120.400 0.130 0.000 2.753 567 K HA 0.240 4.560 4.320 0.000 0.000 0.185 567 K C -2.068 174.619 176.600 0.144 0.000 1.071 567 K CA -1.285 55.064 56.287 0.104 0.000 0.999 567 K CB 2.294 34.846 32.500 0.087 0.000 1.244 567 K HN -0.002 nan 8.250 nan 0.000 0.594 568 P HA -0.150 nan 4.420 nan 0.000 0.222 568 P C 1.069 178.465 177.300 0.161 0.000 1.147 568 P CA 1.148 64.267 63.100 0.031 0.000 0.790 568 P CB 0.359 31.706 31.700 -0.588 0.000 0.780 569 S N -2.518 113.239 115.700 0.096 0.000 2.524 569 S HA 0.041 4.511 4.470 0.000 0.000 0.216 569 S C 0.662 175.348 174.600 0.142 0.000 0.987 569 S CA -0.269 58.005 58.200 0.123 0.000 0.909 569 S CB -0.771 62.473 63.200 0.073 0.000 0.781 569 S HN -0.060 nan 8.310 nan 0.000 0.521 570 D N 2.236 122.704 120.400 0.113 0.000 2.382 570 D HA 0.119 4.759 4.640 0.000 0.000 0.240 570 D C 0.027 176.337 176.300 0.017 0.000 1.146 570 D CA 0.179 54.222 54.000 0.072 0.000 0.897 570 D CB 0.214 41.040 40.800 0.042 0.000 1.197 570 D HN 0.313 nan 8.370 nan 0.000 0.432 571 H N 2.319 121.328 119.070 -0.102 0.000 2.764 571 H HA 0.156 4.712 4.556 0.000 0.000 0.341 571 H C -2.097 172.966 175.328 -0.442 0.000 1.072 571 H CA -1.338 54.547 56.048 -0.272 0.000 1.444 571 H CB 0.731 30.396 29.762 -0.162 0.000 1.458 571 H HN 0.243 nan 8.280 nan 0.000 0.572 572 P HA 0.155 nan 4.420 nan 0.000 0.277 572 P C -0.076 176.837 177.300 -0.645 0.000 1.271 572 P CA -0.438 62.090 63.100 -0.954 0.000 0.795 572 P CB 1.443 32.122 31.700 -1.702 0.000 1.101 573 I N 0.962 121.191 120.570 -0.568 0.000 2.337 573 I HA 0.233 4.403 4.170 0.000 0.000 0.291 573 I C 0.439 176.239 176.117 -0.528 0.000 1.046 573 I CA -0.288 60.792 61.300 -0.367 0.000 1.324 573 I CB 0.042 37.883 38.000 -0.265 0.000 1.409 573 I HN 0.077 nan 8.210 nan 0.000 0.494 574 I N 7.589 127.931 120.570 -0.381 0.000 2.330 574 I HA 0.330 4.500 4.170 0.000 0.000 0.289 574 I C 0.021 175.862 176.117 -0.459 0.000 1.001 574 I CA -0.448 60.586 61.300 -0.443 0.000 1.193 574 I CB 1.325 39.149 38.000 -0.294 0.000 1.345 574 I HN 0.421 nan 8.210 nan 0.000 0.461 575 I N 6.812 126.922 120.570 -0.768 0.000 2.256 575 I HA 0.144 4.314 4.170 0.000 0.000 0.294 575 I C 0.884 176.697 176.117 -0.507 0.000 1.127 575 I CA -0.261 60.400 61.300 -1.065 0.000 1.247 575 I CB 0.240 37.298 38.000 -1.568 0.000 1.460 575 I HN 0.641 nan 8.210 nan 0.000 0.511 576 K N 4.252 124.518 120.400 -0.222 0.000 2.350 576 K HA 0.448 4.768 4.320 0.000 0.000 0.279 576 K C 1.179 177.728 176.600 -0.086 0.000 1.027 576 K CA 0.095 56.311 56.287 -0.119 0.000 0.969 576 K CB 0.397 32.873 32.500 -0.039 0.000 0.954 576 K HN 0.969 nan 8.250 nan 0.000 0.474 577 G N 0.490 109.252 108.800 -0.064 0.000 2.283 577 G HA2 -0.008 3.952 3.960 0.000 0.000 0.280 577 G HA3 -0.008 3.952 3.960 0.000 0.000 0.280 577 G C 1.302 176.199 174.900 -0.004 0.000 1.029 577 G CA 1.009 46.095 45.100 -0.023 0.000 0.840 577 G HN 1.969 nan 8.290 nan 0.000 0.505 578 A N -0.567 122.206 122.820 -0.077 0.000 1.927 578 A HA -0.083 4.237 4.320 0.000 0.000 0.220 578 A C 1.202 178.846 177.584 0.099 0.000 1.185 578 A CA 1.728 53.739 52.037 -0.043 0.000 0.639 578 A CB -0.199 18.648 19.000 -0.255 0.000 0.820 578 A HN 0.777 nan 8.150 nan 0.000 0.451 579 H N -1.107 117.996 119.070 0.054 0.000 2.791 579 H HA 0.461 5.017 4.556 0.000 0.000 0.272 579 H C -0.100 175.236 175.328 0.014 0.000 1.188 579 H CA -0.361 55.722 56.048 0.057 0.000 1.436 579 H CB 0.611 30.395 29.762 0.036 0.000 1.467 579 H HN 0.464 nan 8.280 nan 0.000 0.500 580 A N 3.896 126.748 122.820 0.052 0.000 2.580 580 A HA -0.004 4.316 4.320 0.000 0.000 0.244 580 A C 1.274 178.863 177.584 0.009 0.000 1.045 580 A CA 0.184 52.222 52.037 0.002 0.000 0.761 580 A CB -0.274 18.690 19.000 -0.060 0.000 0.962 580 A HN 1.046 nan 8.150 nan 0.000 0.512 581 M N 0.563 120.160 119.600 -0.006 0.000 2.503 581 M HA -0.191 4.290 4.480 0.000 0.000 0.199 581 M C 0.207 176.516 176.300 0.015 0.000 0.466 581 M CA 1.301 56.595 55.300 -0.009 0.000 0.510 581 M CB -2.254 30.328 32.600 -0.030 0.000 1.858 581 M HN 0.888 nan 8.290 nan 0.000 0.799 582 S N -0.333 115.389 115.700 0.036 0.000 2.550 582 S HA 0.687 5.158 4.470 0.000 0.000 0.270 582 S C -0.074 174.532 174.600 0.010 0.000 1.145 582 S CA -0.074 58.150 58.200 0.039 0.000 0.852 582 S CB 1.924 65.177 63.200 0.090 0.000 1.119 582 S HN 0.428 nan 8.310 nan 0.000 0.465 583 S N 1.872 117.554 115.700 -0.031 0.000 2.584 583 S HA 0.599 5.069 4.470 0.000 0.000 0.273 583 S C -0.301 174.206 174.600 -0.155 0.000 1.311 583 S CA -0.608 57.547 58.200 -0.074 0.000 1.034 583 S CB 0.962 64.121 63.200 -0.067 0.000 0.939 583 S HN 0.672 nan 8.310 nan 0.000 0.513 584 V N 3.643 123.445 119.914 -0.186 0.000 2.334 584 V HA 0.236 4.356 4.120 0.000 0.000 0.267 584 V C 0.477 176.446 176.094 -0.209 0.000 1.040 584 V CA -0.741 61.384 62.300 -0.292 0.000 0.866 584 V CB 0.214 31.901 31.823 -0.227 0.000 1.019 584 V HN 0.869 nan 8.190 nan 0.000 0.468 585 N N 2.128 120.703 118.700 -0.208 0.000 2.376 585 N HA 0.019 4.759 4.740 0.000 0.000 0.177 585 N C 0.709 176.153 175.510 -0.109 0.000 1.024 585 N CA 0.496 53.464 53.050 -0.137 0.000 0.893 585 N CB 0.575 38.988 38.487 -0.125 0.000 0.980 585 N HN 0.621 nan 8.380 nan 0.000 0.439 586 S N -0.177 115.447 115.700 -0.127 0.000 2.541 586 S HA 0.652 5.122 4.470 0.000 0.000 0.271 586 S C -1.400 173.144 174.600 -0.094 0.000 1.133 586 S CA -0.675 57.476 58.200 -0.081 0.000 0.876 586 S CB 1.264 64.430 63.200 -0.055 0.000 1.105 586 S HN -0.030 nan 8.310 nan 0.000 0.470 587 V N 1.621 121.501 119.914 -0.057 0.000 2.932 587 V HA 0.800 4.920 4.120 0.000 0.000 0.307 587 V C -1.239 174.848 176.094 -0.011 0.000 1.147 587 V CA -0.724 61.529 62.300 -0.078 0.000 0.951 587 V CB 1.322 33.078 31.823 -0.112 0.000 1.031 587 V HN 0.922 nan 8.190 nan 0.000 0.426 588 I N 2.252 122.800 120.570 -0.036 0.000 2.752 588 I HA 0.446 4.616 4.170 0.000 0.000 0.295 588 I C -1.515 174.646 176.117 0.074 0.000 1.219 588 I CA -0.253 61.102 61.300 0.092 0.000 1.030 588 I CB 2.630 40.694 38.000 0.107 0.000 1.259 588 I HN 0.710 nan 8.210 nan 0.000 0.423 589 W N 5.852 127.201 121.300 0.082 0.000 2.331 589 W HA 0.423 5.083 4.660 0.000 0.000 0.306 589 W C 0.904 177.487 176.519 0.107 0.000 1.162 589 W CA -0.360 57.038 57.345 0.088 0.000 1.232 589 W CB 0.715 30.239 29.460 0.106 0.000 1.235 589 W HN 0.384 nan 8.180 nan 0.000 0.479 590 L N 2.872 124.269 121.223 0.289 0.000 2.270 590 L HA 0.011 4.351 4.340 0.000 0.000 0.210 590 L C 0.295 177.315 176.870 0.249 0.000 1.104 590 L CA 0.723 55.708 54.840 0.241 0.000 0.804 590 L CB -0.455 41.730 42.059 0.210 0.000 0.937 590 L HN 0.585 nan 8.230 nan 0.000 0.450 591 N N -3.054 115.826 118.700 0.301 0.000 3.179 591 N HA -0.035 4.705 4.740 0.000 0.000 0.250 591 N C 0.280 175.996 175.510 0.345 0.000 1.507 591 N CA -0.503 52.709 53.050 0.270 0.000 0.883 591 N CB 0.210 38.819 38.487 0.204 0.000 1.435 591 N HN -0.104 nan 8.380 nan 0.000 0.532 592 E N -0.882 119.477 120.200 0.264 0.000 2.331 592 E HA -0.180 4.170 4.350 0.000 0.000 0.199 592 E C 0.202 176.891 176.600 0.147 0.000 1.008 592 E CA 2.115 58.655 56.400 0.232 0.000 0.843 592 E CB -0.640 29.280 29.700 0.366 0.000 0.761 592 E HN 0.791 nan 8.360 nan 0.000 0.507 593 T N -3.071 111.591 114.554 0.181 0.000 3.209 593 T HA 0.242 4.592 4.350 0.000 0.000 0.295 593 T C 0.042 174.807 174.700 0.108 0.000 0.977 593 T CA -0.487 61.654 62.100 0.068 0.000 0.922 593 T CB 0.341 69.197 68.868 -0.020 0.000 1.152 593 T HN -0.046 nan 8.240 nan 0.000 0.527 594 T N 2.287 116.947 114.554 0.176 0.000 2.881 594 T HA 0.703 5.053 4.350 0.000 0.000 0.290 594 T C -0.800 173.890 174.700 -0.017 0.000 1.000 594 T CA -0.515 61.639 62.100 0.090 0.000 0.978 594 T CB 1.614 70.565 68.868 0.138 0.000 0.997 594 T HN 0.286 nan 8.240 nan 0.000 0.443 595 I N 2.294 122.780 120.570 -0.140 0.000 2.608 595 I HA 0.637 4.807 4.170 0.000 0.000 0.295 595 I C -0.706 175.339 176.117 -0.121 0.000 1.049 595 I CA -1.300 59.823 61.300 -0.294 0.000 1.063 595 I CB 2.282 39.925 38.000 -0.596 0.000 1.248 595 I HN 0.291 nan 8.210 nan 0.000 0.424 596 V N 5.402 125.184 119.914 -0.221 0.000 2.495 596 V HA 0.703 4.823 4.120 0.000 0.000 0.298 596 V C -0.303 175.630 176.094 -0.268 0.000 1.031 596 V CA -0.033 61.993 62.300 -0.457 0.000 0.871 596 V CB 2.000 33.406 31.823 -0.695 0.000 0.988 596 V HN 0.877 nan 8.190 nan 0.000 0.432 597 S N 5.397 120.989 115.700 -0.180 0.000 2.600 597 S HA 0.986 5.456 4.470 0.000 0.000 0.300 597 S C -0.515 174.058 174.600 -0.043 0.000 1.087 597 S CA -0.266 57.923 58.200 -0.019 0.000 0.965 597 S CB 2.036 65.392 63.200 0.261 0.000 1.089 597 S HN 1.814 nan 8.310 nan 0.000 0.496 598 A N 0.613 123.336 122.820 -0.162 0.000 2.486 598 A HA 0.963 5.284 4.320 0.000 0.000 0.300 598 A C -0.031 177.303 177.584 -0.418 0.000 1.048 598 A CA -0.421 51.505 52.037 -0.185 0.000 0.696 598 A CB 1.417 20.337 19.000 -0.133 0.000 1.278 598 A HN 1.545 nan 8.150 nan 0.000 0.405 599 G N -0.791 107.780 108.800 -0.382 0.000 3.015 599 G HA2 0.455 4.415 3.960 0.000 0.000 0.281 599 G HA3 0.455 4.415 3.960 0.000 0.000 0.281 599 G C 0.207 175.036 174.900 -0.119 0.000 1.386 599 G CA -0.219 44.660 45.100 -0.369 0.000 0.959 599 G HN 0.653 nan 8.290 nan 0.000 0.522 600 Q N -0.265 119.485 119.800 -0.083 0.000 2.297 600 Q HA -0.103 4.237 4.340 0.000 0.000 0.208 600 Q C 1.746 177.769 176.000 0.038 0.000 0.981 600 Q CA 2.226 58.014 55.803 -0.024 0.000 0.876 600 Q CB 0.013 28.742 28.738 -0.016 0.000 0.921 600 Q HN 0.644 nan 8.270 nan 0.000 0.446 601 D N -1.975 118.477 120.400 0.086 0.000 2.363 601 D HA -0.002 4.638 4.640 0.000 0.000 0.226 601 D C 0.023 176.433 176.300 0.184 0.000 1.020 601 D CA 0.771 54.868 54.000 0.161 0.000 0.892 601 D CB -0.105 40.829 40.800 0.223 0.000 0.900 601 D HN 0.092 nan 8.370 nan 0.000 0.531 602 S N -1.469 114.310 115.700 0.131 0.000 3.228 602 S HA -0.224 4.246 4.470 0.000 0.000 0.282 602 S C -0.155 174.558 174.600 0.189 0.000 1.286 602 S CA 0.566 58.856 58.200 0.149 0.000 1.066 602 S CB -2.394 60.917 63.200 0.184 0.000 1.277 602 S HN 0.648 nan 8.310 nan 0.000 0.661 603 N N 0.123 118.949 118.700 0.209 0.000 2.487 603 N HA 0.673 5.413 4.740 0.000 0.000 0.292 603 N C -0.578 175.031 175.510 0.166 0.000 1.108 603 N CA -0.426 52.746 53.050 0.203 0.000 0.956 603 N CB 0.937 39.559 38.487 0.224 0.000 1.176 603 N HN 0.224 nan 8.380 nan 0.000 0.484 604 I N 1.919 122.489 120.570 -0.000 0.000 2.410 604 I HA 0.298 4.468 4.170 0.000 0.000 0.286 604 I C -0.560 175.337 176.117 -0.366 0.000 1.009 604 I CA -0.567 60.608 61.300 -0.209 0.000 1.111 604 I CB 1.215 38.969 38.000 -0.410 0.000 1.262 604 I HN 0.309 nan 8.210 nan 0.000 0.443 605 K N 5.919 126.073 120.400 -0.411 0.000 2.259 605 K HA 0.650 4.970 4.320 0.000 0.000 0.249 605 K C -1.412 174.658 176.600 -0.883 0.000 0.942 605 K CA -0.694 55.237 56.287 -0.594 0.000 0.816 605 K CB 2.427 34.553 32.500 -0.622 0.000 1.155 605 K HN 0.205 nan 8.250 nan 0.000 0.428 606 F N 1.112 120.582 119.950 -0.800 0.000 2.458 606 F HA 0.441 4.968 4.527 0.000 0.000 0.336 606 F C -0.771 174.591 175.800 -0.730 0.000 1.114 606 F CA -0.552 57.090 58.000 -0.598 0.000 0.987 606 F CB 1.048 39.783 39.000 -0.442 0.000 1.130 606 F HN 0.406 nan 8.300 nan 0.000 0.458 607 W N 1.641 122.913 121.300 -0.045 0.000 2.819 607 W HA 0.440 5.100 4.660 0.000 0.000 0.337 607 W C -0.650 175.836 176.519 -0.055 0.000 1.077 607 W CA -0.826 56.481 57.345 -0.063 0.000 1.226 607 W CB 1.360 30.718 29.460 -0.170 0.000 1.419 607 W HN 0.346 nan 8.180 nan 0.000 0.502 608 N N 1.420 120.253 118.700 0.222 0.000 2.425 608 N HA 0.544 5.284 4.740 0.000 0.000 0.268 608 N C -1.753 173.837 175.510 0.133 0.000 0.991 608 N CA -0.350 52.777 53.050 0.129 0.000 0.931 608 N CB 1.119 39.663 38.487 0.095 0.000 1.130 608 N HN 0.249 nan 8.380 nan 0.000 0.493 609 V N 5.501 125.445 119.914 0.051 0.000 2.289 609 V HA 0.415 4.535 4.120 0.000 0.000 0.272 609 V C -2.064 174.009 176.094 -0.034 0.000 1.026 609 V CA -1.573 60.742 62.300 0.025 0.000 0.807 609 V CB 0.780 32.564 31.823 -0.065 0.000 1.044 609 V HN 0.713 nan 8.190 nan 0.000 0.443 610 P HA 0.171 nan 4.420 nan 0.000 0.270 610 P C -0.028 177.250 177.300 -0.036 0.000 1.227 610 P CA -0.006 63.093 63.100 -0.003 0.000 0.788 610 P CB 0.519 32.256 31.700 0.061 0.000 0.926 611 F N 0.000 120.005 119.950 0.091 0.000 2.286 611 F HA 0.000 4.527 4.527 0.000 0.000 0.279 611 F CA 0.000 58.048 58.000 0.080 0.000 1.383 611 F CB 0.000 39.043 39.000 0.071 0.000 1.145 611 F HN 0.000 nan 8.300 nan 0.000 0.574