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 2p2f_1_B DATA FIRST_RESID 5 DATA SEQUENCE HKHAIPANIA DRCLINPEQY ETKYKQSIND PDTFWGEQGK ILDWITPYQK DATA SEQUENCE VKNTSFAPGN VSIKWYEDGT LNLAANCLDR HLQENGDRTA IIWEGDDTSQ DATA SEQUENCE SKHISYRELH RDVCRFANTL LDLGIKKGDV VAIYMPMVPE AAVAMLACAR DATA SEQUENCE IGAVHSVIFG GFSPEAVAGR IIDSSSRLVI TADEGVRAGR SIPLKKNVDD DATA SEQUENCE ALKNPNVTSV EHVIVLKRTG SDIDWQEGRD LWWRDLIEKA SPEHQPEAMN DATA SEQUENCE AEDPLFILYT SGSTGKPKGV LHTTGGYLVY AATTFKYVFD YHPGDIYWCT DATA SEQUENCE ADVGWVTGHS YLLYGPLACG ATTLMFEGVP NWPTPARMCQ VVDKHQVNIL DATA SEQUENCE YTAPTAIRAL MAEGDKAIEG TDRSSLRILG SVGEPINPEA WEWYWKKIGK DATA SEQUENCE EKCPVVDTWW QTETGGFMIT PLPGAIELKA GSATRPFFGV QPALVDNEGH DATA SEQUENCE PQEGATEGNL VITDSWPGQA RTLFGDHERF EQTYFSTFKN MYFSGDGARR DATA SEQUENCE DEDGYYWITG RVDDVLNVSG HRLGTAEIES ALVAHPKIAE AAVVGIPHAI DATA SEQUENCE KGQAIYAYVT LNHGEEPSPE LYAEVRNWVR KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGKIMRRI LRKIAAGDXX XXXXXXXXXD PGVVEKLLEE KQA 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 5 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.196 175.328 -0.220 0.000 0.993 5 H CA 0.000 55.946 56.048 -0.170 0.000 1.023 5 H CB 0.000 29.652 29.762 -0.183 0.000 1.292 6 K N 2.791 123.128 120.400 -0.105 0.000 2.237 6 K HA 0.227 4.547 4.320 0.001 0.000 0.270 6 K C -0.179 176.371 176.600 -0.084 0.000 1.015 6 K CA -0.504 55.741 56.287 -0.069 0.000 0.949 6 K CB 0.722 33.167 32.500 -0.092 0.000 0.976 6 K HN 0.434 nan 8.250 nan 0.000 0.472 7 H N 1.230 120.307 119.070 0.011 0.000 2.581 7 H HA 0.205 4.762 4.556 0.001 0.000 0.308 7 H C -0.253 175.114 175.328 0.064 0.000 1.040 7 H CA -0.544 55.521 56.048 0.028 0.000 1.231 7 H CB 1.367 31.096 29.762 -0.055 0.000 1.396 7 H HN 0.697 nan 8.280 nan 0.000 0.467 8 A N 4.280 127.190 122.820 0.149 0.000 2.425 8 A HA 0.172 4.493 4.320 0.001 0.000 0.242 8 A C 0.616 178.296 177.584 0.159 0.000 1.077 8 A CA -0.403 51.706 52.037 0.119 0.000 0.781 8 A CB 0.078 19.127 19.000 0.082 0.000 1.020 8 A HN 0.743 nan 8.150 nan 0.000 0.494 9 I N 2.667 123.309 120.570 0.119 0.000 2.505 9 I HA 0.112 4.282 4.170 0.001 0.000 0.287 9 I C -1.740 174.444 176.117 0.111 0.000 1.104 9 I CA -1.167 60.202 61.300 0.115 0.000 1.387 9 I CB 0.421 38.471 38.000 0.083 0.000 1.404 9 I HN 0.460 nan 8.210 nan 0.000 0.528 10 P HA 0.038 nan 4.420 nan 0.000 0.269 10 P C 0.433 177.775 177.300 0.069 0.000 1.215 10 P CA -0.180 62.983 63.100 0.104 0.000 0.780 10 P CB 0.812 32.573 31.700 0.102 0.000 0.898 11 A N 2.971 125.824 122.820 0.056 0.000 1.902 11 A HA -0.220 4.101 4.320 0.001 0.000 0.217 11 A C 1.922 179.524 177.584 0.030 0.000 1.181 11 A CA 1.879 53.940 52.037 0.040 0.000 0.623 11 A CB -1.308 17.712 19.000 0.033 0.000 0.818 11 A HN 0.763 nan 8.150 nan 0.000 0.443 12 N N 0.682 119.394 118.700 0.021 0.000 2.104 12 N HA -0.172 4.569 4.740 0.001 0.000 0.190 12 N C 1.501 177.014 175.510 0.007 0.000 1.024 12 N CA 2.005 55.058 53.050 0.004 0.000 0.853 12 N CB -0.523 37.957 38.487 -0.011 0.000 1.008 12 N HN 0.418 nan 8.380 nan 0.000 0.424 13 I N 1.567 122.152 120.570 0.025 0.000 2.286 13 I HA -0.023 4.148 4.170 0.001 0.000 0.245 13 I C 2.772 178.921 176.117 0.053 0.000 1.104 13 I CA 0.843 62.166 61.300 0.038 0.000 1.397 13 I CB -1.671 36.362 38.000 0.055 0.000 1.072 13 I HN 0.162 nan 8.210 nan 0.000 0.417 14 A N 1.081 123.933 122.820 0.054 0.000 1.917 14 A HA -0.258 4.063 4.320 0.001 0.000 0.219 14 A C 1.958 179.575 177.584 0.055 0.000 1.182 14 A CA 2.303 54.374 52.037 0.057 0.000 0.633 14 A CB -0.696 18.335 19.000 0.051 0.000 0.819 14 A HN 0.367 nan 8.150 nan 0.000 0.448 15 D N -1.031 119.395 120.400 0.042 0.000 2.224 15 D HA -0.102 4.538 4.640 0.001 0.000 0.205 15 D C 2.102 178.432 176.300 0.051 0.000 0.965 15 D CA 1.543 55.566 54.000 0.039 0.000 0.852 15 D CB -0.155 40.659 40.800 0.022 0.000 0.947 15 D HN 0.812 nan 8.370 nan 0.000 0.494 16 R N 0.180 120.712 120.500 0.053 0.000 2.373 16 R HA 0.156 4.496 4.340 0.001 0.000 0.221 16 R C 0.975 177.399 176.300 0.206 0.000 0.893 16 R CA -0.188 55.962 56.100 0.083 0.000 1.049 16 R CB -0.766 29.489 30.300 -0.074 0.000 1.119 16 R HN 0.170 nan 8.270 nan 0.000 0.535 17 C N 0.449 119.847 119.300 0.164 0.000 2.703 17 C HA 0.234 4.695 4.460 0.001 0.000 0.411 17 C C 1.851 176.959 174.990 0.197 0.000 1.290 17 C CA -0.817 58.322 59.018 0.201 0.000 2.054 17 C CB 0.115 27.939 27.740 0.140 0.000 2.732 17 C HN 0.483 nan 8.230 nan 0.000 0.650 18 L N 1.395 122.744 121.223 0.209 0.000 2.131 18 L HA 0.193 4.534 4.340 0.001 0.000 0.206 18 L C 0.735 177.696 176.870 0.151 0.000 1.087 18 L CA 0.944 55.904 54.840 0.200 0.000 0.767 18 L CB -0.420 41.840 42.059 0.335 0.000 0.917 18 L HN 0.633 nan 8.230 nan 0.000 0.441 19 I N 1.260 121.914 120.570 0.140 0.000 2.439 19 I HA 0.204 4.374 4.170 0.001 0.000 0.283 19 I C -0.726 175.458 176.117 0.112 0.000 1.023 19 I CA -0.609 60.752 61.300 0.100 0.000 1.100 19 I CB 1.009 39.072 38.000 0.104 0.000 1.238 19 I HN 0.171 nan 8.210 nan 0.000 0.445 20 N N 7.494 126.255 118.700 0.102 0.000 2.448 20 N HA 0.499 5.240 4.740 0.001 0.000 0.274 20 N C -2.351 173.229 175.510 0.116 0.000 1.239 20 N CA -1.729 51.377 53.050 0.094 0.000 0.982 20 N CB 0.106 38.640 38.487 0.077 0.000 1.199 20 N HN 0.078 nan 8.380 nan 0.000 0.576 21 P HA -0.205 nan 4.420 nan 0.000 0.214 21 P C 1.097 178.493 177.300 0.159 0.000 1.163 21 P CA 1.781 64.955 63.100 0.124 0.000 0.889 21 P CB 0.104 31.856 31.700 0.087 0.000 0.790 22 E N -0.006 120.258 120.200 0.105 0.000 2.051 22 E HA -0.259 4.091 4.350 0.001 0.000 0.192 22 E C 2.049 178.691 176.600 0.070 0.000 0.991 22 E CA 1.292 57.740 56.400 0.080 0.000 0.799 22 E CB -0.552 29.179 29.700 0.051 0.000 0.748 22 E HN 0.223 nan 8.360 nan 0.000 0.449 23 Q N -0.640 119.203 119.800 0.072 0.000 2.135 23 Q HA -0.238 4.102 4.340 0.001 0.000 0.204 23 Q C 2.013 178.054 176.000 0.067 0.000 0.981 23 Q CA 1.828 57.656 55.803 0.041 0.000 0.856 23 Q CB -0.436 28.323 28.738 0.035 0.000 0.902 23 Q HN 0.453 nan 8.270 nan 0.000 0.425 24 Y N 1.934 122.279 120.300 0.074 0.000 2.070 24 Y HA -0.291 4.260 4.550 0.001 0.000 0.280 24 Y C 2.115 178.110 175.900 0.158 0.000 1.148 24 Y CA 1.779 59.978 58.100 0.165 0.000 1.125 24 Y CB -0.078 38.433 38.460 0.085 0.000 0.975 24 Y HN 0.004 nan 8.280 nan 0.000 0.492 25 E N -0.205 119.958 120.200 -0.061 0.000 2.070 25 E HA -0.197 4.154 4.350 0.001 0.000 0.197 25 E C 2.223 178.748 176.600 -0.126 0.000 1.004 25 E CA 2.055 58.382 56.400 -0.122 0.000 0.805 25 E CB -0.875 28.842 29.700 0.028 0.000 0.744 25 E HN 0.552 nan 8.360 nan 0.000 0.451 26 T N 1.450 115.949 114.554 -0.092 0.000 2.701 26 T HA -0.102 4.249 4.350 0.001 0.000 0.263 26 T C 1.911 176.500 174.700 -0.185 0.000 1.040 26 T CA 1.396 63.435 62.100 -0.102 0.000 1.147 26 T CB -0.103 68.725 68.868 -0.066 0.000 0.865 26 T HN 0.147 nan 8.240 nan 0.000 0.426 27 K N 0.029 120.273 120.400 -0.259 0.000 2.063 27 K HA -0.141 4.179 4.320 0.001 0.000 0.208 27 K C 2.158 178.354 176.600 -0.673 0.000 1.048 27 K CA 1.494 57.494 56.287 -0.479 0.000 0.928 27 K CB -0.390 31.634 32.500 -0.794 0.000 0.713 27 K HN 0.358 nan 8.250 nan 0.000 0.442 28 Y N 1.995 121.962 120.300 -0.555 0.000 2.097 28 Y HA -0.358 4.193 4.550 0.001 0.000 0.282 28 Y C 2.593 178.274 175.900 -0.366 0.000 1.152 28 Y CA 2.981 60.829 58.100 -0.421 0.000 1.136 28 Y CB -0.489 37.632 38.460 -0.565 0.000 0.975 28 Y HN 0.025 nan 8.280 nan 0.000 0.498 29 K N 0.584 120.840 120.400 -0.241 0.000 2.148 29 K HA -0.192 4.128 4.320 0.001 0.000 0.204 29 K C 2.077 178.507 176.600 -0.284 0.000 1.050 29 K CA 1.677 57.833 56.287 -0.218 0.000 0.942 29 K CB -0.983 31.484 32.500 -0.056 0.000 0.724 29 K HN 0.704 nan 8.250 nan 0.000 0.446 30 Q N 0.595 120.217 119.800 -0.296 0.000 2.124 30 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 30 Q C 2.391 178.158 176.000 -0.389 0.000 0.977 30 Q CA 2.024 57.682 55.803 -0.242 0.000 0.850 30 Q CB -0.178 28.490 28.738 -0.117 0.000 0.901 30 Q HN 0.780 nan 8.270 nan 0.000 0.429 31 S N -0.309 114.906 115.700 -0.809 0.000 2.419 31 S HA -0.107 4.364 4.470 0.001 0.000 0.233 31 S C 1.768 176.099 174.600 -0.448 0.000 1.016 31 S CA 0.821 58.425 58.200 -0.993 0.000 0.974 31 S CB -0.133 62.178 63.200 -1.482 0.000 0.786 31 S HN 0.327 nan 8.310 nan 0.000 0.492 32 I N 2.557 122.858 120.570 -0.449 0.000 2.385 32 I HA 0.097 4.267 4.170 0.001 0.000 0.244 32 I C 1.966 178.012 176.117 -0.117 0.000 1.089 32 I CA 0.650 61.799 61.300 -0.251 0.000 1.410 32 I CB -1.794 36.024 38.000 -0.303 0.000 1.117 32 I HN 0.269 nan 8.210 nan 0.000 0.429 33 N N 0.698 119.323 118.700 -0.126 0.000 2.244 33 N HA -0.129 4.611 4.740 0.001 0.000 0.183 33 N C 0.305 175.795 175.510 -0.033 0.000 1.016 33 N CA 1.122 54.136 53.050 -0.061 0.000 0.866 33 N CB -0.049 38.404 38.487 -0.058 0.000 0.980 33 N HN 0.303 nan 8.380 nan 0.000 0.430 34 D N -1.437 118.942 120.400 -0.035 0.000 2.586 34 D HA 0.236 4.877 4.640 0.001 0.000 0.254 34 D C -2.202 174.141 176.300 0.071 0.000 1.248 34 D CA -1.682 52.327 54.000 0.014 0.000 0.843 34 D CB 1.066 41.873 40.800 0.012 0.000 1.332 34 D HN -0.117 nan 8.370 nan 0.000 0.523 35 P HA -0.050 nan 4.420 nan 0.000 0.217 35 P C 0.968 178.496 177.300 0.381 0.000 1.150 35 P CA 0.696 63.991 63.100 0.325 0.000 0.832 35 P CB 0.500 32.456 31.700 0.427 0.000 0.787 36 D N -1.155 119.371 120.400 0.210 0.000 2.123 36 D HA -0.118 4.523 4.640 0.001 0.000 0.196 36 D C 1.830 178.245 176.300 0.192 0.000 0.992 36 D CA 1.476 55.577 54.000 0.167 0.000 0.833 36 D CB -0.839 39.999 40.800 0.063 0.000 0.954 36 D HN 0.155 nan 8.370 nan 0.000 0.455 37 T N 0.172 114.816 114.554 0.150 0.000 2.732 37 T HA -0.086 4.264 4.350 0.001 0.000 0.261 37 T C 1.733 176.506 174.700 0.122 0.000 1.040 37 T CA 0.535 62.704 62.100 0.115 0.000 1.145 37 T CB -0.471 68.438 68.868 0.069 0.000 0.866 37 T HN 0.116 nan 8.240 nan 0.000 0.427 38 F N 0.395 120.318 119.950 -0.046 0.000 2.051 38 F HA -0.100 4.427 4.527 0.001 0.000 0.296 38 F C 1.937 177.664 175.800 -0.122 0.000 1.122 38 F CA 1.385 59.264 58.000 -0.201 0.000 1.201 38 F CB -0.439 38.310 39.000 -0.418 0.000 0.978 38 F HN 0.200 nan 8.300 nan 0.000 0.472 39 W N 0.444 121.990 121.300 0.410 0.000 2.392 39 W HA -0.016 4.644 4.660 0.001 0.000 0.279 39 W C 2.572 179.279 176.519 0.313 0.000 1.225 39 W CA 0.787 58.350 57.345 0.363 0.000 1.233 39 W CB -0.993 28.748 29.460 0.469 0.000 1.122 39 W HN 0.180 nan 8.180 nan 0.000 0.561 40 G N 0.467 109.526 108.800 0.431 0.000 2.418 40 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 40 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 40 G C 1.215 176.305 174.900 0.317 0.000 1.158 40 G CA 1.124 46.483 45.100 0.433 0.000 0.771 40 G HN 0.291 nan 8.290 nan 0.000 0.545 41 E N -0.577 119.694 120.200 0.119 0.000 2.112 41 E HA -0.057 4.293 4.350 0.001 0.000 0.190 41 E C 2.468 179.085 176.600 0.027 0.000 0.979 41 E CA 0.784 57.199 56.400 0.025 0.000 0.814 41 E CB -0.027 29.621 29.700 -0.087 0.000 0.762 41 E HN 0.329 nan 8.360 nan 0.000 0.460 42 Q N 0.413 120.188 119.800 -0.042 0.000 2.172 42 Q HA -0.035 4.305 4.340 0.001 0.000 0.200 42 Q C 1.949 178.137 176.000 0.313 0.000 0.964 42 Q CA 1.565 57.387 55.803 0.031 0.000 0.855 42 Q CB -0.535 28.051 28.738 -0.253 0.000 0.918 42 Q HN 0.270 nan 8.270 nan 0.000 0.444 43 G N 0.217 109.281 108.800 0.440 0.000 2.564 43 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 43 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 43 G C 1.079 176.260 174.900 0.469 0.000 1.124 43 G CA 0.450 45.787 45.100 0.396 0.000 0.764 43 G HN 0.168 nan 8.290 nan 0.000 0.550 44 K N 0.181 120.778 120.400 0.328 0.000 2.555 44 K HA 0.148 4.469 4.320 0.001 0.000 0.193 44 K C 1.902 178.628 176.600 0.210 0.000 1.032 44 K CA -0.135 56.309 56.287 0.262 0.000 1.004 44 K CB -0.209 32.376 32.500 0.142 0.000 0.804 44 K HN 0.487 nan 8.250 nan 0.000 0.496 45 I N 0.515 121.208 120.570 0.205 0.000 2.454 45 I HA -0.151 4.020 4.170 0.001 0.000 0.254 45 I C 0.258 176.428 176.117 0.088 0.000 1.156 45 I CA 0.690 62.071 61.300 0.135 0.000 1.433 45 I CB 0.289 38.372 38.000 0.138 0.000 1.082 45 I HN -0.010 nan 8.210 nan 0.000 0.432 46 L N 0.593 121.881 121.223 0.108 0.000 2.352 46 L HA 0.332 4.673 4.340 0.001 0.000 0.269 46 L C -0.613 176.238 176.870 -0.032 0.000 1.034 46 L CA -1.032 53.767 54.840 -0.068 0.000 0.806 46 L CB 0.659 42.521 42.059 -0.329 0.000 1.244 46 L HN -0.097 nan 8.230 nan 0.000 0.447 47 D N 0.512 120.824 120.400 -0.147 0.000 2.308 47 D HA 0.265 4.906 4.640 0.001 0.000 0.251 47 D C -0.948 175.215 176.300 -0.227 0.000 1.127 47 D CA 0.185 54.139 54.000 -0.077 0.000 0.876 47 D CB 0.774 41.519 40.800 -0.092 0.000 1.176 47 D HN 0.154 nan 8.370 nan 0.000 0.446 48 W N 1.743 123.028 121.300 -0.025 0.000 2.570 48 W HA 0.424 5.084 4.660 0.001 0.000 0.337 48 W C 1.254 177.762 176.519 -0.018 0.000 1.067 48 W CA -0.683 56.655 57.345 -0.011 0.000 1.229 48 W CB 0.750 30.201 29.460 -0.016 0.000 1.355 48 W HN 0.308 nan 8.180 nan 0.000 0.555 49 I N 0.962 121.646 120.570 0.191 0.000 2.296 49 I HA -0.054 4.116 4.170 0.001 0.000 0.242 49 I C 1.301 177.490 176.117 0.120 0.000 1.087 49 I CA 1.005 62.371 61.300 0.110 0.000 1.393 49 I CB -0.243 37.798 38.000 0.068 0.000 1.093 49 I HN 0.385 nan 8.210 nan 0.000 0.421 50 T N 1.182 115.832 114.554 0.160 0.000 2.786 50 T HA 0.418 4.769 4.350 0.001 0.000 0.283 50 T C -2.649 172.126 174.700 0.125 0.000 0.992 50 T CA -2.340 59.827 62.100 0.112 0.000 0.954 50 T CB 1.623 70.540 68.868 0.082 0.000 0.934 50 T HN -0.167 nan 8.240 nan 0.000 0.440 51 P HA 0.100 nan 4.420 nan 0.000 0.268 51 P C -0.500 176.653 177.300 -0.245 0.000 1.208 51 P CA -0.166 62.790 63.100 -0.240 0.000 0.777 51 P CB 0.122 31.651 31.700 -0.285 0.000 0.875 52 Y N -0.055 120.081 120.300 -0.273 0.000 2.300 52 Y HA 0.341 4.892 4.550 0.001 0.000 0.328 52 Y C 1.412 177.254 175.900 -0.097 0.000 1.270 52 Y CA -0.469 57.528 58.100 -0.172 0.000 1.352 52 Y CB 0.049 38.370 38.460 -0.231 0.000 1.286 52 Y HN 0.233 nan 8.280 nan 0.000 0.536 53 Q N 0.633 120.524 119.800 0.152 0.000 2.580 53 Q HA 0.203 4.543 4.340 0.001 0.000 0.239 53 Q C -0.261 175.826 176.000 0.145 0.000 0.873 53 Q CA 0.392 56.262 55.803 0.113 0.000 0.951 53 Q CB 0.251 29.011 28.738 0.036 0.000 1.172 53 Q HN 0.709 nan 8.270 nan 0.000 0.616 54 K N 1.123 121.580 120.400 0.095 0.000 2.326 54 K HA 0.222 4.542 4.320 0.001 0.000 0.275 54 K C 0.609 177.185 176.600 -0.040 0.000 1.018 54 K CA -0.165 56.128 56.287 0.009 0.000 0.962 54 K CB 1.561 34.038 32.500 -0.038 0.000 0.953 54 K HN -0.141 nan 8.250 nan 0.000 0.475 55 V N 2.292 122.128 119.914 -0.130 0.000 3.355 55 V HA 0.044 4.165 4.120 0.001 0.000 0.210 55 V C 0.249 176.041 176.094 -0.503 0.000 1.157 55 V CA 0.206 62.327 62.300 -0.298 0.000 1.336 55 V CB -0.049 31.716 31.823 -0.098 0.000 1.317 55 V HN 0.640 nan 8.190 nan 0.000 0.503 56 K N 2.252 122.312 120.400 -0.566 0.000 2.262 56 K HA 0.240 4.560 4.320 0.001 0.000 0.282 56 K C -0.780 175.415 176.600 -0.675 0.000 1.066 56 K CA -0.047 55.609 56.287 -1.052 0.000 0.901 56 K CB 0.196 32.136 32.500 -0.933 0.000 1.089 56 K HN 0.398 nan 8.250 nan 0.000 0.476 57 N N 3.263 121.536 118.700 -0.712 0.000 2.727 57 N HA 0.122 4.863 4.740 0.001 0.000 0.252 57 N C -1.909 173.366 175.510 -0.391 0.000 1.283 57 N CA -0.334 52.462 53.050 -0.422 0.000 0.782 57 N CB 1.238 39.554 38.487 -0.285 0.000 1.199 57 N HN 0.659 nan 8.380 nan 0.000 0.520 58 T N -1.378 112.956 114.554 -0.368 0.000 2.903 58 T HA 0.762 5.112 4.350 0.001 0.000 0.299 58 T C -1.043 173.530 174.700 -0.211 0.000 1.093 58 T CA -0.687 61.250 62.100 -0.272 0.000 1.002 58 T CB 1.724 70.407 68.868 -0.310 0.000 1.127 58 T HN 0.077 nan 8.240 nan 0.000 0.488 59 S N 0.709 116.342 115.700 -0.111 0.000 2.546 59 S HA 0.577 5.047 4.470 0.001 0.000 0.272 59 S C -0.848 173.837 174.600 0.140 0.000 1.140 59 S CA -0.873 57.288 58.200 -0.066 0.000 0.920 59 S CB 0.903 64.084 63.200 -0.031 0.000 1.083 59 S HN 0.724 nan 8.310 nan 0.000 0.476 60 F N 2.257 122.166 119.950 -0.069 0.000 2.639 60 F HA 0.336 4.864 4.527 0.001 0.000 0.300 60 F C 1.435 177.199 175.800 -0.060 0.000 1.109 60 F CA -0.719 57.194 58.000 -0.145 0.000 1.335 60 F CB 0.306 39.364 39.000 0.097 0.000 1.014 60 F HN 0.683 nan 8.300 nan 0.000 0.537 61 A N 1.994 124.893 122.820 0.133 0.000 2.546 61 A HA 0.145 4.466 4.320 0.001 0.000 0.243 61 A C -2.300 175.332 177.584 0.079 0.000 1.063 61 A CA -1.045 51.050 52.037 0.097 0.000 0.757 61 A CB -0.496 18.538 19.000 0.057 0.000 0.991 61 A HN -0.004 nan 8.150 nan 0.000 0.503 62 P HA 0.237 nan 4.420 nan 0.000 0.263 62 P C 1.049 178.383 177.300 0.057 0.000 1.195 62 P CA 1.721 64.868 63.100 0.078 0.000 0.762 62 P CB 0.592 32.338 31.700 0.077 0.000 0.799 63 G N 2.836 111.668 108.800 0.054 0.000 2.184 63 G HA2 -0.304 3.657 3.960 0.001 0.000 0.264 63 G HA3 -0.304 3.657 3.960 0.001 0.000 0.264 63 G C 0.440 175.380 174.900 0.067 0.000 0.975 63 G CA 0.241 45.374 45.100 0.055 0.000 0.642 63 G HN 0.683 nan 8.290 nan 0.000 0.536 64 N N -0.665 118.075 118.700 0.067 0.000 2.550 64 N HA 0.212 4.952 4.740 0.001 0.000 0.277 64 N C 0.087 175.641 175.510 0.074 0.000 1.595 64 N CA -0.276 52.819 53.050 0.076 0.000 0.888 64 N CB 0.700 39.214 38.487 0.046 0.000 1.424 64 N HN 0.091 nan 8.380 nan 0.000 0.501 65 V N 1.450 121.404 119.914 0.068 0.000 2.540 65 V HA 0.099 4.220 4.120 0.001 0.000 0.297 65 V C 0.473 176.668 176.094 0.169 0.000 1.024 65 V CA 0.683 62.981 62.300 -0.003 0.000 1.105 65 V CB 1.042 32.671 31.823 -0.324 0.000 0.938 65 V HN 0.295 nan 8.190 nan 0.000 0.482 66 S N 5.875 121.633 115.700 0.097 0.000 2.720 66 S HA 0.668 5.138 4.470 0.001 0.000 0.278 66 S C -1.066 173.558 174.600 0.039 0.000 1.172 66 S CA -0.586 57.652 58.200 0.064 0.000 1.019 66 S CB 0.719 63.917 63.200 -0.005 0.000 1.049 66 S HN 0.519 nan 8.310 nan 0.000 0.483 67 I N 4.779 125.380 120.570 0.051 0.000 2.411 67 I HA 0.497 4.668 4.170 0.001 0.000 0.284 67 I C -0.357 175.748 176.117 -0.019 0.000 1.012 67 I CA -0.345 60.975 61.300 0.034 0.000 1.119 67 I CB 1.649 39.730 38.000 0.135 0.000 1.261 67 I HN 0.400 nan 8.210 nan 0.000 0.448 68 K N 5.181 125.493 120.400 -0.147 0.000 2.427 68 K HA 0.598 4.919 4.320 0.001 0.000 0.252 68 K C -1.856 174.539 176.600 -0.342 0.000 0.931 68 K CA -0.734 55.472 56.287 -0.135 0.000 0.793 68 K CB 2.460 34.882 32.500 -0.129 0.000 1.211 68 K HN 0.336 nan 8.250 nan 0.000 0.426 69 W N 1.596 122.801 121.300 -0.159 0.000 2.998 69 W HA 0.269 4.929 4.660 0.001 0.000 0.335 69 W C -0.547 175.857 176.519 -0.193 0.000 1.110 69 W CA -0.295 56.853 57.345 -0.329 0.000 1.230 69 W CB 0.815 30.047 29.460 -0.379 0.000 1.405 69 W HN 0.647 nan 8.180 nan 0.000 0.493 70 Y N 0.259 120.572 120.300 0.022 0.000 3.491 70 Y HA -0.390 4.160 4.550 0.001 0.000 0.215 70 Y C 1.934 177.862 175.900 0.046 0.000 1.219 70 Y CA 1.164 59.181 58.100 -0.138 0.000 1.485 70 Y CB -1.392 36.923 38.460 -0.241 0.000 1.450 70 Y HN 0.626 nan 8.280 nan 0.000 0.603 71 E N 0.855 121.124 120.200 0.116 0.000 2.204 71 E HA -0.204 4.146 4.350 0.001 0.000 0.194 71 E C 1.248 177.929 176.600 0.135 0.000 0.989 71 E CA 1.559 58.028 56.400 0.115 0.000 0.824 71 E CB -0.086 29.631 29.700 0.028 0.000 0.756 71 E HN 0.668 nan 8.360 nan 0.000 0.477 72 D N 0.957 121.438 120.400 0.135 0.000 2.328 72 D HA 0.118 4.758 4.640 0.001 0.000 0.221 72 D C 0.644 177.051 176.300 0.178 0.000 1.072 72 D CA 0.088 54.164 54.000 0.127 0.000 0.850 72 D CB 0.068 40.918 40.800 0.083 0.000 0.922 72 D HN 0.183 nan 8.370 nan 0.000 0.516 73 G N -0.198 108.766 108.800 0.274 0.000 2.412 73 G HA2 0.521 4.482 3.960 0.001 0.000 0.318 73 G HA3 0.521 4.482 3.960 0.001 0.000 0.318 73 G C -0.298 174.883 174.900 0.469 0.000 1.146 73 G CA -0.455 44.871 45.100 0.377 0.000 0.882 73 G HN 0.212 nan 8.290 nan 0.000 0.501 74 T N -1.248 113.578 114.554 0.453 0.000 2.893 74 T HA 0.759 5.109 4.350 0.001 0.000 0.291 74 T C -0.300 174.546 174.700 0.245 0.000 1.028 74 T CA -0.608 61.669 62.100 0.296 0.000 0.995 74 T CB 1.549 70.516 68.868 0.166 0.000 1.051 74 T HN 1.262 nan 8.240 nan 0.000 0.470 75 L N -0.395 120.852 121.223 0.041 0.000 2.933 75 L HA 0.813 5.153 4.340 0.001 0.000 0.271 75 L C -1.757 175.043 176.870 -0.118 0.000 1.071 75 L CA -1.319 53.431 54.840 -0.150 0.000 0.938 75 L CB 1.934 43.651 42.059 -0.570 0.000 1.534 75 L HN 0.805 nan 8.230 nan 0.000 0.396 76 N N -0.504 118.108 118.700 -0.148 0.000 2.371 76 N HA 0.409 5.149 4.740 0.001 0.000 0.291 76 N C 0.082 175.530 175.510 -0.104 0.000 1.053 76 N CA -0.739 52.261 53.050 -0.084 0.000 0.870 76 N CB 2.347 40.819 38.487 -0.025 0.000 1.503 76 N HN 0.871 nan 8.380 nan 0.000 0.485 77 L N 3.914 125.083 121.223 -0.089 0.000 2.046 77 L HA 0.046 4.387 4.340 0.001 0.000 0.208 77 L C 1.986 178.842 176.870 -0.023 0.000 1.077 77 L CA 2.028 56.808 54.840 -0.100 0.000 0.747 77 L CB -0.206 41.762 42.059 -0.151 0.000 0.896 77 L HN 0.763 nan 8.230 nan 0.000 0.432 78 A N -0.208 122.630 122.820 0.031 0.000 1.930 78 A HA -0.109 4.211 4.320 0.001 0.000 0.217 78 A C 2.450 180.098 177.584 0.105 0.000 1.175 78 A CA 1.477 53.574 52.037 0.099 0.000 0.627 78 A CB -0.978 18.090 19.000 0.114 0.000 0.815 78 A HN 0.586 nan 8.150 nan 0.000 0.443 79 A N 0.246 123.100 122.820 0.056 0.000 1.940 79 A HA -0.213 4.107 4.320 0.001 0.000 0.219 79 A C 1.982 179.544 177.584 -0.036 0.000 1.176 79 A CA 1.720 53.773 52.037 0.027 0.000 0.631 79 A CB -0.606 18.388 19.000 -0.011 0.000 0.814 79 A HN 0.596 nan 8.150 nan 0.000 0.446 80 N N -0.483 118.182 118.700 -0.059 0.000 2.216 80 N HA -0.100 4.640 4.740 0.001 0.000 0.183 80 N C 1.457 176.993 175.510 0.042 0.000 1.017 80 N CA 1.604 54.599 53.050 -0.092 0.000 0.861 80 N CB -0.277 38.133 38.487 -0.128 0.000 0.986 80 N HN 0.532 nan 8.380 nan 0.000 0.428 81 C N -0.022 119.366 119.300 0.146 0.000 2.594 81 C HA 0.299 4.760 4.460 0.001 0.000 0.265 81 C C 2.234 177.505 174.990 0.467 0.000 1.351 81 C CA -0.140 59.058 59.018 0.300 0.000 1.744 81 C CB -0.931 26.951 27.740 0.237 0.000 1.890 81 C HN 0.315 nan 8.230 nan 0.000 0.551 82 L N -0.545 120.894 121.223 0.359 0.000 3.147 82 L HA 0.223 4.564 4.340 0.001 0.000 0.166 82 L C 1.698 178.700 176.870 0.221 0.000 1.146 82 L CA 0.234 55.321 54.840 0.411 0.000 0.858 82 L CB -0.802 41.492 42.059 0.391 0.000 1.500 82 L HN -0.097 nan 8.230 nan 0.000 0.547 83 D N 1.307 121.777 120.400 0.116 0.000 2.106 83 D HA -0.222 4.418 4.640 0.001 0.000 0.191 83 D C 1.929 178.144 176.300 -0.141 0.000 0.997 83 D CA 1.817 55.768 54.000 -0.082 0.000 0.834 83 D CB -0.250 40.549 40.800 -0.003 0.000 0.956 83 D HN 0.300 nan 8.370 nan 0.000 0.448 84 R N -0.021 120.356 120.500 -0.205 0.000 2.285 84 R HA -0.062 4.279 4.340 0.001 0.000 0.213 84 R C 1.129 177.213 176.300 -0.359 0.000 1.068 84 R CA 1.129 57.055 56.100 -0.291 0.000 1.004 84 R CB -0.429 29.666 30.300 -0.341 0.000 0.873 84 R HN 0.363 nan 8.270 nan 0.000 0.467 85 H N 0.367 119.356 119.070 -0.134 0.000 2.553 85 H HA 0.156 4.712 4.556 0.001 0.000 0.265 85 H C 1.875 177.101 175.328 -0.171 0.000 0.964 85 H CA 0.387 56.298 56.048 -0.229 0.000 1.156 85 H CB 0.307 29.762 29.762 -0.513 0.000 1.411 85 H HN 0.205 nan 8.280 nan 0.000 0.558 86 L N 0.460 121.662 121.223 -0.035 0.000 2.027 86 L HA -0.199 4.142 4.340 0.001 0.000 0.206 86 L C 2.790 179.644 176.870 -0.028 0.000 1.074 86 L CA 1.334 56.153 54.840 -0.035 0.000 0.745 86 L CB -0.486 41.502 42.059 -0.119 0.000 0.898 86 L HN 0.214 nan 8.230 nan 0.000 0.433 87 Q N 0.552 120.326 119.800 -0.044 0.000 2.045 87 Q HA -0.263 4.078 4.340 0.001 0.000 0.206 87 Q C 1.822 177.815 176.000 -0.012 0.000 0.991 87 Q CA 2.227 58.012 55.803 -0.029 0.000 0.851 87 Q CB 0.069 28.785 28.738 -0.036 0.000 0.911 87 Q HN 0.558 nan 8.270 nan 0.000 0.418 88 E N -1.172 119.022 120.200 -0.010 0.000 2.431 88 E HA 0.045 4.396 4.350 0.001 0.000 0.200 88 E C 0.149 176.753 176.600 0.007 0.000 0.995 88 E CA 0.235 56.636 56.400 0.002 0.000 0.915 88 E CB 0.511 30.213 29.700 0.005 0.000 0.930 88 E HN 0.343 nan 8.360 nan 0.000 0.496 89 N N -0.546 118.152 118.700 -0.003 0.000 2.377 89 N HA 0.083 4.823 4.740 0.001 0.000 0.259 89 N C 0.983 176.514 175.510 0.035 0.000 1.332 89 N CA 0.016 53.062 53.050 -0.008 0.000 0.877 89 N CB 1.290 39.727 38.487 -0.084 0.000 1.299 89 N HN 0.087 nan 8.380 nan 0.000 0.501 90 G N 0.738 109.571 108.800 0.056 0.000 2.545 90 G HA2 -0.289 3.672 3.960 0.001 0.000 0.222 90 G HA3 -0.289 3.672 3.960 0.001 0.000 0.222 90 G C 1.013 175.998 174.900 0.141 0.000 1.126 90 G CA 1.169 46.332 45.100 0.104 0.000 0.754 90 G HN 0.313 nan 8.290 nan 0.000 0.583 91 D N -0.610 119.856 120.400 0.110 0.000 2.360 91 D HA 0.065 4.705 4.640 0.001 0.000 0.210 91 D C 1.308 177.685 176.300 0.128 0.000 1.047 91 D CA -0.269 53.794 54.000 0.105 0.000 0.854 91 D CB 0.394 41.236 40.800 0.070 0.000 0.936 91 D HN 0.289 nan 8.370 nan 0.000 0.514 92 R N 1.360 121.960 120.500 0.166 0.000 2.679 92 R HA 0.065 4.405 4.340 0.001 0.000 0.268 92 R C -0.288 176.160 176.300 0.247 0.000 1.044 92 R CA 0.160 56.383 56.100 0.205 0.000 1.105 92 R CB 0.451 30.877 30.300 0.210 0.000 0.989 92 R HN -0.255 nan 8.270 nan 0.000 0.447 93 T N 3.854 118.523 114.554 0.191 0.000 2.853 93 T HA 0.147 4.497 4.350 0.001 0.000 0.298 93 T C 0.915 175.642 174.700 0.046 0.000 0.978 93 T CA 0.156 62.332 62.100 0.126 0.000 1.152 93 T CB 1.405 70.371 68.868 0.163 0.000 0.914 93 T HN 0.754 nan 8.240 nan 0.000 0.539 94 A N 4.307 126.991 122.820 -0.226 0.000 1.871 94 A HA 0.383 4.703 4.320 0.001 0.000 0.211 94 A C 0.769 178.174 177.584 -0.297 0.000 1.207 94 A CA 0.465 52.124 52.037 -0.630 0.000 0.620 94 A CB 0.166 18.421 19.000 -1.242 0.000 0.860 94 A HN 0.762 nan 8.150 nan 0.000 0.450 95 I N 0.633 121.073 120.570 -0.218 0.000 2.447 95 I HA 0.340 4.510 4.170 0.001 0.000 0.287 95 I C -1.312 174.709 176.117 -0.161 0.000 1.023 95 I CA -0.380 60.830 61.300 -0.150 0.000 1.083 95 I CB 2.006 39.927 38.000 -0.132 0.000 1.245 95 I HN 0.109 nan 8.210 nan 0.000 0.434 96 I N 5.382 125.812 120.570 -0.233 0.000 2.312 96 I HA 0.115 4.286 4.170 0.001 0.000 0.291 96 I C -0.799 175.147 176.117 -0.284 0.000 1.031 96 I CA -0.147 60.886 61.300 -0.444 0.000 1.293 96 I CB 0.703 38.281 38.000 -0.704 0.000 1.403 96 I HN 0.553 nan 8.210 nan 0.000 0.484 97 W N 7.995 129.079 121.300 -0.361 0.000 2.391 97 W HA 0.421 5.081 4.660 0.001 0.000 0.311 97 W C -0.272 176.138 176.519 -0.182 0.000 1.087 97 W CA -0.629 56.577 57.345 -0.232 0.000 1.209 97 W CB 1.061 30.423 29.460 -0.164 0.000 1.273 97 W HN 0.358 nan 8.180 nan 0.000 0.482 98 E N 4.225 123.902 120.200 -0.873 0.000 2.165 98 E HA 0.563 4.914 4.350 0.001 0.000 0.266 98 E C 0.183 176.156 176.600 -1.045 0.000 0.889 98 E CA -0.681 55.304 56.400 -0.692 0.000 0.756 98 E CB 1.230 30.774 29.700 -0.259 0.000 1.131 98 E HN 0.542 nan 8.360 nan 0.000 0.411 99 G N 3.008 111.174 108.800 -1.056 0.000 2.569 99 G HA2 -0.001 3.959 3.960 0.001 0.000 0.249 99 G HA3 -0.001 3.959 3.960 0.001 0.000 0.249 99 G C 0.524 175.257 174.900 -0.278 0.000 1.216 99 G CA -0.083 44.506 45.100 -0.851 0.000 0.845 99 G HN 0.798 nan 8.290 nan 0.000 0.568 100 D N -0.596 119.679 120.400 -0.207 0.000 2.149 100 D HA -0.168 4.472 4.640 0.001 0.000 0.194 100 D C 0.675 177.061 176.300 0.142 0.000 1.001 100 D CA 1.367 55.334 54.000 -0.055 0.000 0.849 100 D CB 0.171 40.904 40.800 -0.112 0.000 0.939 100 D HN 0.352 nan 8.370 nan 0.000 0.449 101 D N -1.141 119.304 120.400 0.074 0.000 2.313 101 D HA 0.068 4.708 4.640 0.001 0.000 0.239 101 D C 0.750 177.065 176.300 0.025 0.000 1.142 101 D CA 0.043 54.106 54.000 0.105 0.000 0.847 101 D CB 1.270 42.130 40.800 0.100 0.000 1.082 101 D HN -0.114 nan 8.370 nan 0.000 0.480 102 T N 1.753 116.326 114.554 0.033 0.000 2.929 102 T HA -0.175 4.176 4.350 0.001 0.000 0.271 102 T C 1.731 176.412 174.700 -0.031 0.000 1.085 102 T CA 1.949 64.038 62.100 -0.018 0.000 1.125 102 T CB -0.175 68.674 68.868 -0.031 0.000 0.874 102 T HN 0.482 nan 8.240 nan 0.000 0.494 103 S N -0.188 115.508 115.700 -0.007 0.000 2.547 103 S HA 0.061 4.532 4.470 0.001 0.000 0.235 103 S C 0.719 175.331 174.600 0.020 0.000 0.980 103 S CA 0.124 58.327 58.200 0.004 0.000 0.941 103 S CB -0.260 62.949 63.200 0.014 0.000 0.763 103 S HN 0.640 nan 8.310 nan 0.000 0.532 104 Q N 1.601 121.402 119.800 0.002 0.000 2.333 104 Q HA 0.613 4.953 4.340 0.001 0.000 0.265 104 Q C -0.974 174.994 176.000 -0.053 0.000 0.989 104 Q CA -0.449 55.381 55.803 0.046 0.000 0.842 104 Q CB 1.894 30.701 28.738 0.116 0.000 1.262 104 Q HN 0.554 nan 8.270 nan 0.000 0.451 105 S N 1.908 117.667 115.700 0.099 0.000 2.543 105 S HA 0.570 5.040 4.470 0.001 0.000 0.274 105 S C -1.338 173.416 174.600 0.257 0.000 1.149 105 S CA -1.086 57.176 58.200 0.104 0.000 0.866 105 S CB 1.751 64.980 63.200 0.049 0.000 1.111 105 S HN 0.453 nan 8.310 nan 0.000 0.457 106 K N 0.674 121.254 120.400 0.301 0.000 2.375 106 K HA 0.526 4.847 4.320 0.001 0.000 0.249 106 K C -1.671 174.981 176.600 0.088 0.000 0.942 106 K CA -0.728 55.692 56.287 0.222 0.000 0.806 106 K CB 1.366 33.979 32.500 0.189 0.000 1.227 106 K HN 0.751 nan 8.250 nan 0.000 0.430 107 H N 1.760 120.853 119.070 0.038 0.000 2.519 107 H HA 0.372 4.929 4.556 0.001 0.000 0.316 107 H C -0.714 174.611 175.328 -0.004 0.000 1.065 107 H CA -0.268 55.782 56.048 0.003 0.000 1.264 107 H CB 0.560 30.327 29.762 0.008 0.000 1.413 107 H HN 0.276 nan 8.280 nan 0.000 0.465 108 I N 2.800 123.386 120.570 0.027 0.000 2.355 108 I HA 0.175 4.346 4.170 0.001 0.000 0.288 108 I C 0.238 176.333 176.117 -0.038 0.000 0.999 108 I CA -0.614 60.679 61.300 -0.010 0.000 1.163 108 I CB 1.195 39.157 38.000 -0.063 0.000 1.316 108 I HN 0.573 nan 8.210 nan 0.000 0.454 109 S N 4.793 120.502 115.700 0.015 0.000 2.614 109 S HA 0.216 4.686 4.470 0.001 0.000 0.265 109 S C 1.085 175.694 174.600 0.015 0.000 1.303 109 S CA -0.086 58.142 58.200 0.047 0.000 1.000 109 S CB 0.619 63.877 63.200 0.097 0.000 0.935 109 S HN 0.528 nan 8.310 nan 0.000 0.551 110 Y N 1.086 121.418 120.300 0.054 0.000 2.165 110 Y HA -0.139 4.412 4.550 0.001 0.000 0.286 110 Y C 2.911 178.870 175.900 0.100 0.000 1.155 110 Y CA 2.220 60.361 58.100 0.068 0.000 1.164 110 Y CB -0.302 38.193 38.460 0.058 0.000 0.978 110 Y HN 0.750 nan 8.280 nan 0.000 0.513 111 R N 0.607 121.243 120.500 0.227 0.000 2.081 111 R HA -0.193 4.147 4.340 0.001 0.000 0.235 111 R C 1.903 178.303 176.300 0.167 0.000 1.131 111 R CA 1.990 58.197 56.100 0.179 0.000 0.960 111 R CB -0.192 30.183 30.300 0.124 0.000 0.856 111 R HN 0.367 nan 8.270 nan 0.000 0.436 112 E N 0.283 120.549 120.200 0.112 0.000 2.051 112 E HA -0.213 4.137 4.350 0.001 0.000 0.192 112 E C 1.898 178.537 176.600 0.064 0.000 0.991 112 E CA 1.357 57.802 56.400 0.075 0.000 0.799 112 E CB -0.153 29.573 29.700 0.044 0.000 0.748 112 E HN 0.182 nan 8.360 nan 0.000 0.449 113 L N 0.943 122.189 121.223 0.040 0.000 2.017 113 L HA -0.220 4.121 4.340 0.001 0.000 0.208 113 L C 2.325 179.249 176.870 0.089 0.000 1.073 113 L CA 1.950 56.801 54.840 0.018 0.000 0.745 113 L CB -0.704 41.313 42.059 -0.070 0.000 0.894 113 L HN 0.307 nan 8.230 nan 0.000 0.432 114 H N -0.136 118.978 119.070 0.073 0.000 2.353 114 H HA -0.254 4.303 4.556 0.001 0.000 0.298 114 H C 2.445 177.822 175.328 0.083 0.000 1.103 114 H CA 2.265 58.372 56.048 0.098 0.000 1.293 114 H CB 0.148 29.983 29.762 0.122 0.000 1.372 114 H HN 0.347 nan 8.280 nan 0.000 0.501 115 R N 0.238 120.794 120.500 0.093 0.000 2.066 115 R HA -0.112 4.228 4.340 0.001 0.000 0.232 115 R C 1.871 178.170 176.300 -0.001 0.000 1.131 115 R CA 1.847 57.971 56.100 0.040 0.000 0.955 115 R CB -0.065 30.292 30.300 0.096 0.000 0.851 115 R HN 0.325 nan 8.270 nan 0.000 0.432 116 D N 0.007 120.424 120.400 0.029 0.000 2.178 116 D HA -0.110 4.530 4.640 0.001 0.000 0.202 116 D C 1.951 178.278 176.300 0.046 0.000 0.974 116 D CA 0.989 55.020 54.000 0.051 0.000 0.841 116 D CB 0.027 40.871 40.800 0.072 0.000 0.953 116 D HN 0.119 nan 8.370 nan 0.000 0.478 117 V N 0.805 120.721 119.914 0.004 0.000 2.295 117 V HA -0.265 3.855 4.120 0.001 0.000 0.246 117 V C 2.717 178.780 176.094 -0.052 0.000 1.049 117 V CA 1.221 63.525 62.300 0.006 0.000 1.024 117 V CB -0.453 31.374 31.823 0.006 0.000 0.648 117 V HN 0.288 nan 8.190 nan 0.000 0.447 118 C N -0.113 119.097 119.300 -0.149 0.000 2.393 118 C HA -0.196 4.264 4.460 0.001 0.000 0.276 118 C C 2.853 177.787 174.990 -0.095 0.000 1.215 118 C CA 1.084 60.022 59.018 -0.134 0.000 1.743 118 C CB -1.285 26.363 27.740 -0.153 0.000 2.044 118 C HN 0.496 nan 8.230 nan 0.000 0.464 119 R N -0.730 119.741 120.500 -0.048 0.000 2.127 119 R HA -0.153 4.187 4.340 0.001 0.000 0.238 119 R C 1.993 178.247 176.300 -0.077 0.000 1.134 119 R CA 1.585 57.661 56.100 -0.041 0.000 0.975 119 R CB -0.510 29.789 30.300 -0.001 0.000 0.865 119 R HN 0.602 nan 8.270 nan 0.000 0.447 120 F N 0.688 120.516 119.950 -0.203 0.000 2.473 120 F HA 0.161 4.688 4.527 0.001 0.000 0.294 120 F C 2.229 177.876 175.800 -0.253 0.000 1.103 120 F CA 0.434 58.270 58.000 -0.273 0.000 1.442 120 F CB -0.063 38.762 39.000 -0.292 0.000 1.097 120 F HN -0.078 nan 8.300 nan 0.000 0.547 121 A N 0.447 123.133 122.820 -0.223 0.000 1.902 121 A HA -0.215 4.105 4.320 0.001 0.000 0.217 121 A C 2.080 179.411 177.584 -0.422 0.000 1.181 121 A CA 1.992 53.794 52.037 -0.391 0.000 0.623 121 A CB -0.843 17.784 19.000 -0.623 0.000 0.818 121 A HN 0.425 nan 8.150 nan 0.000 0.443 122 N N -0.461 118.042 118.700 -0.328 0.000 2.188 122 N HA -0.092 4.648 4.740 0.001 0.000 0.184 122 N C 1.732 177.085 175.510 -0.262 0.000 1.018 122 N CA 1.744 54.669 53.050 -0.209 0.000 0.858 122 N CB -0.649 37.777 38.487 -0.102 0.000 0.989 122 N HN 0.485 nan 8.380 nan 0.000 0.426 123 T N 2.221 116.542 114.554 -0.389 0.000 2.708 123 T HA -0.020 4.330 4.350 0.001 0.000 0.266 123 T C 2.126 176.534 174.700 -0.486 0.000 1.037 123 T CA 0.686 62.501 62.100 -0.475 0.000 1.146 123 T CB -0.213 68.231 68.868 -0.706 0.000 0.865 123 T HN 0.132 nan 8.240 nan 0.000 0.435 124 L N 0.420 121.289 121.223 -0.590 0.000 1.989 124 L HA -0.118 4.222 4.340 0.001 0.000 0.211 124 L C 2.568 179.295 176.870 -0.238 0.000 1.071 124 L CA 1.412 56.005 54.840 -0.411 0.000 0.749 124 L CB -0.821 41.022 42.059 -0.361 0.000 0.890 124 L HN 0.260 nan 8.230 nan 0.000 0.431 125 L N -0.213 120.889 121.223 -0.201 0.000 2.021 125 L HA -0.294 4.047 4.340 0.001 0.000 0.215 125 L C 2.270 179.076 176.870 -0.107 0.000 1.074 125 L CA 1.417 56.187 54.840 -0.117 0.000 0.760 125 L CB -0.781 41.234 42.059 -0.073 0.000 0.889 125 L HN 0.302 nan 8.230 nan 0.000 0.433 126 D N -0.302 120.017 120.400 -0.135 0.000 2.221 126 D HA -0.142 4.498 4.640 0.001 0.000 0.204 126 D C 1.929 178.159 176.300 -0.117 0.000 0.982 126 D CA 0.999 54.929 54.000 -0.116 0.000 0.857 126 D CB -0.084 40.638 40.800 -0.130 0.000 0.934 126 D HN 0.140 nan 8.370 nan 0.000 0.475 127 L N -0.613 120.524 121.223 -0.145 0.000 2.599 127 L HA 0.220 4.560 4.340 0.001 0.000 0.230 127 L C 1.677 178.522 176.870 -0.041 0.000 1.141 127 L CA 0.687 55.460 54.840 -0.113 0.000 0.877 127 L CB -0.630 41.343 42.059 -0.144 0.000 1.009 127 L HN 0.205 nan 8.230 nan 0.000 0.447 128 G N -0.786 107.984 108.800 -0.051 0.000 2.141 128 G HA2 -0.222 3.738 3.960 0.001 0.000 0.242 128 G HA3 -0.222 3.738 3.960 0.001 0.000 0.242 128 G C 0.398 175.282 174.900 -0.027 0.000 0.982 128 G CA -0.152 44.932 45.100 -0.028 0.000 0.662 128 G HN 0.128 nan 8.290 nan 0.000 0.527 129 I N 1.402 121.945 120.570 -0.045 0.000 2.556 129 I HA 0.334 4.504 4.170 0.001 0.000 0.284 129 I C 0.907 177.005 176.117 -0.031 0.000 1.114 129 I CA 0.164 61.441 61.300 -0.038 0.000 1.418 129 I CB 0.574 38.539 38.000 -0.059 0.000 1.394 129 I HN 0.479 nan 8.210 nan 0.000 0.552 130 K N 4.809 125.201 120.400 -0.014 0.000 2.395 130 K HA 0.513 4.833 4.320 0.001 0.000 0.245 130 K C -0.486 176.116 176.600 0.002 0.000 1.017 130 K CA -1.225 55.059 56.287 -0.005 0.000 0.852 130 K CB 1.692 34.191 32.500 -0.001 0.000 1.311 130 K HN 0.309 nan 8.250 nan 0.000 0.452 131 K N 0.011 120.416 120.400 0.008 0.000 2.569 131 K HA -0.084 4.237 4.320 0.001 0.000 0.280 131 K C 0.802 177.408 176.600 0.011 0.000 0.984 131 K CA 1.922 58.216 56.287 0.012 0.000 1.064 131 K CB -0.400 32.110 32.500 0.016 0.000 0.866 131 K HN 0.845 nan 8.250 nan 0.000 0.492 132 G N 2.767 111.573 108.800 0.009 0.000 2.304 132 G HA2 -0.261 3.700 3.960 0.001 0.000 0.252 132 G HA3 -0.261 3.700 3.960 0.001 0.000 0.252 132 G C -0.271 174.636 174.900 0.012 0.000 1.014 132 G CA 0.363 45.470 45.100 0.013 0.000 0.619 132 G HN 0.764 nan 8.290 nan 0.000 0.525 133 D N 0.537 120.942 120.400 0.009 0.000 2.443 133 D HA 0.407 5.047 4.640 0.001 0.000 0.239 133 D C 0.673 176.968 176.300 -0.008 0.000 1.136 133 D CA 0.107 54.111 54.000 0.006 0.000 0.879 133 D CB 1.564 42.366 40.800 0.004 0.000 1.195 133 D HN 0.190 nan 8.370 nan 0.000 0.443 134 V N 2.604 122.505 119.914 -0.021 0.000 2.432 134 V HA 0.213 4.333 4.120 0.001 0.000 0.275 134 V C 0.312 176.408 176.094 0.003 0.000 1.043 134 V CA -0.604 61.668 62.300 -0.046 0.000 0.925 134 V CB 1.703 33.447 31.823 -0.132 0.000 0.985 134 V HN 0.209 nan 8.190 nan 0.000 0.466 135 V N 4.530 124.471 119.914 0.044 0.000 2.384 135 V HA 0.644 4.764 4.120 0.001 0.000 0.287 135 V C 0.443 176.598 176.094 0.102 0.000 1.020 135 V CA -0.651 61.694 62.300 0.075 0.000 0.850 135 V CB 1.667 33.551 31.823 0.102 0.000 0.987 135 V HN 0.966 nan 8.190 nan 0.000 0.436 136 A N 6.986 129.850 122.820 0.073 0.000 2.309 136 A HA 0.750 5.071 4.320 0.001 0.000 0.290 136 A C -0.350 177.292 177.584 0.097 0.000 1.206 136 A CA -0.227 51.854 52.037 0.073 0.000 0.850 136 A CB -0.004 19.004 19.000 0.014 0.000 1.118 136 A HN 0.775 nan 8.150 nan 0.000 0.523 137 I N 3.031 123.668 120.570 0.112 0.000 2.382 137 I HA 0.191 4.362 4.170 0.001 0.000 0.285 137 I C -1.223 174.977 176.117 0.138 0.000 1.007 137 I CA -0.311 61.047 61.300 0.097 0.000 1.142 137 I CB 1.308 39.317 38.000 0.016 0.000 1.289 137 I HN 0.735 nan 8.210 nan 0.000 0.453 138 Y N 8.390 128.672 120.300 -0.031 0.000 2.805 138 Y HA 0.562 5.112 4.550 0.001 0.000 0.339 138 Y C -0.886 174.960 175.900 -0.090 0.000 1.012 138 Y CA -0.773 57.292 58.100 -0.059 0.000 1.262 138 Y CB 0.599 39.030 38.460 -0.048 0.000 1.100 138 Y HN 0.426 nan 8.280 nan 0.000 0.559 139 M N 5.981 125.451 119.600 -0.218 0.000 2.619 139 M HA 0.500 4.980 4.480 0.001 0.000 0.297 139 M C -2.597 173.511 176.300 -0.320 0.000 1.229 139 M CA -1.689 53.451 55.300 -0.267 0.000 0.860 139 M CB 2.549 35.031 32.600 -0.198 0.000 1.741 139 M HN 0.320 nan 8.290 nan 0.000 0.462 140 P HA 0.361 nan 4.420 nan 0.000 0.297 140 P C -0.723 176.466 177.300 -0.185 0.000 1.307 140 P CA -0.535 62.410 63.100 -0.257 0.000 0.773 140 P CB 0.638 32.199 31.700 -0.232 0.000 1.265 141 M N 0.981 120.516 119.600 -0.108 0.000 3.237 141 M HA 0.168 4.648 4.480 0.001 0.000 0.266 141 M C -0.171 176.174 176.300 0.075 0.000 1.456 141 M CA -0.119 55.172 55.300 -0.015 0.000 1.593 141 M CB -1.308 31.309 32.600 0.028 0.000 1.129 141 M HN 0.125 nan 8.290 nan 0.000 0.547 142 V N 0.656 120.489 119.914 -0.134 0.000 2.914 142 V HA 0.565 4.685 4.120 0.001 0.000 0.314 142 V C -2.426 173.391 176.094 -0.463 0.000 1.084 142 V CA -1.805 60.244 62.300 -0.418 0.000 0.963 142 V CB 1.758 33.259 31.823 -0.537 0.000 1.025 142 V HN 0.222 nan 8.190 nan 0.000 0.432 143 P HA -0.061 nan 4.420 nan 0.000 0.221 143 P C 1.160 178.233 177.300 -0.378 0.000 1.145 143 P CA 1.286 64.148 63.100 -0.398 0.000 0.795 143 P CB 0.271 31.730 31.700 -0.401 0.000 0.775 144 E N -0.227 119.656 120.200 -0.527 0.000 2.153 144 E HA -0.145 4.206 4.350 0.001 0.000 0.194 144 E C 2.118 178.450 176.600 -0.447 0.000 0.988 144 E CA 1.299 57.320 56.400 -0.633 0.000 0.811 144 E CB -0.988 27.977 29.700 -1.224 0.000 0.746 144 E HN 0.155 nan 8.360 nan 0.000 0.466 145 A N 1.343 123.938 122.820 -0.375 0.000 1.873 145 A HA -0.250 4.070 4.320 0.001 0.000 0.218 145 A C 2.430 179.871 177.584 -0.237 0.000 1.193 145 A CA 2.280 54.158 52.037 -0.266 0.000 0.629 145 A CB -1.151 17.701 19.000 -0.246 0.000 0.826 145 A HN 0.328 nan 8.150 nan 0.000 0.447 146 A N -0.840 121.839 122.820 -0.234 0.000 1.908 146 A HA -0.034 4.287 4.320 0.001 0.000 0.218 146 A C 2.260 179.759 177.584 -0.142 0.000 1.181 146 A CA 1.952 53.863 52.037 -0.210 0.000 0.627 146 A CB -1.052 17.836 19.000 -0.187 0.000 0.818 146 A HN 0.471 nan 8.150 nan 0.000 0.445 147 V N -0.193 119.645 119.914 -0.126 0.000 2.287 147 V HA -0.280 3.841 4.120 0.001 0.000 0.248 147 V C 3.061 179.119 176.094 -0.061 0.000 1.053 147 V CA 2.068 64.332 62.300 -0.060 0.000 1.027 147 V CB -1.269 30.547 31.823 -0.011 0.000 0.646 147 V HN 0.639 nan 8.190 nan 0.000 0.447 148 A N -0.714 122.042 122.820 -0.106 0.000 1.877 148 A HA -0.242 4.079 4.320 0.001 0.000 0.216 148 A C 2.228 179.835 177.584 0.040 0.000 1.186 148 A CA 2.297 54.303 52.037 -0.052 0.000 0.620 148 A CB -0.478 18.521 19.000 -0.001 0.000 0.822 148 A HN 0.496 nan 8.150 nan 0.000 0.443 149 M N -0.689 118.853 119.600 -0.098 0.000 2.086 149 M HA -0.088 4.392 4.480 0.001 0.000 0.261 149 M C 2.130 178.513 176.300 0.138 0.000 1.067 149 M CA 1.430 56.646 55.300 -0.139 0.000 1.116 149 M CB -0.498 31.822 32.600 -0.467 0.000 1.348 149 M HN 0.353 nan 8.290 nan 0.000 0.407 150 L N -0.330 120.964 121.223 0.117 0.000 2.079 150 L HA -0.206 4.134 4.340 0.001 0.000 0.210 150 L C 2.752 179.714 176.870 0.152 0.000 1.081 150 L CA 1.192 56.143 54.840 0.185 0.000 0.752 150 L CB -0.786 41.350 42.059 0.128 0.000 0.896 150 L HN 0.334 nan 8.230 nan 0.000 0.433 151 A N -1.087 121.820 122.820 0.146 0.000 1.897 151 A HA -0.191 4.130 4.320 0.001 0.000 0.215 151 A C 2.406 180.050 177.584 0.100 0.000 1.181 151 A CA 1.520 53.635 52.037 0.129 0.000 0.620 151 A CB -1.054 18.117 19.000 0.286 0.000 0.821 151 A HN 0.515 nan 8.150 nan 0.000 0.443 152 C N -0.818 118.578 119.300 0.160 0.000 2.413 152 C HA -0.031 4.430 4.460 0.001 0.000 0.276 152 C C 3.319 178.380 174.990 0.119 0.000 1.236 152 C CA 0.966 60.070 59.018 0.144 0.000 1.735 152 C CB -1.394 26.485 27.740 0.231 0.000 2.031 152 C HN 0.700 nan 8.230 nan 0.000 0.474 153 A N 0.333 123.251 122.820 0.162 0.000 1.902 153 A HA -0.239 4.081 4.320 0.001 0.000 0.217 153 A C 2.239 179.860 177.584 0.062 0.000 1.181 153 A CA 1.934 54.030 52.037 0.099 0.000 0.623 153 A CB -0.718 18.339 19.000 0.095 0.000 0.818 153 A HN 0.654 nan 8.150 nan 0.000 0.443 154 R N 0.197 120.740 120.500 0.072 0.000 2.133 154 R HA -0.172 4.169 4.340 0.001 0.000 0.247 154 R C 1.772 178.120 176.300 0.081 0.000 1.151 154 R CA 2.138 58.280 56.100 0.070 0.000 0.971 154 R CB -0.467 29.861 30.300 0.047 0.000 0.866 154 R HN 0.750 nan 8.270 nan 0.000 0.447 155 I N -4.481 116.115 120.570 0.043 0.000 3.956 155 I HA 0.418 4.589 4.170 0.001 0.000 0.333 155 I C 0.895 177.035 176.117 0.039 0.000 1.302 155 I CA 0.490 61.819 61.300 0.050 0.000 1.122 155 I CB 0.955 38.948 38.000 -0.011 0.000 1.013 155 I HN 0.267 nan 8.210 nan 0.000 0.405 156 G N 1.585 110.405 108.800 0.033 0.000 2.157 156 G HA2 -0.218 3.742 3.960 0.001 0.000 0.248 156 G HA3 -0.218 3.742 3.960 0.001 0.000 0.248 156 G C 0.470 175.378 174.900 0.013 0.000 0.979 156 G CA -0.023 45.089 45.100 0.020 0.000 0.650 156 G HN 0.902 nan 8.290 nan 0.000 0.529 157 A N -0.610 122.223 122.820 0.021 0.000 2.406 157 A HA 0.629 4.950 4.320 0.001 0.000 0.243 157 A C 0.555 178.149 177.584 0.017 0.000 1.082 157 A CA 0.637 52.687 52.037 0.022 0.000 0.786 157 A CB 0.868 19.889 19.000 0.036 0.000 1.029 157 A HN 1.176 nan 8.150 nan 0.000 0.495 158 V N 3.483 123.395 119.914 -0.002 0.000 2.275 158 V HA 0.252 4.373 4.120 0.001 0.000 0.272 158 V C -0.057 176.035 176.094 -0.004 0.000 1.028 158 V CA -0.524 61.744 62.300 -0.052 0.000 0.810 158 V CB 0.063 31.826 31.823 -0.101 0.000 1.043 158 V HN 1.049 nan 8.190 nan 0.000 0.453 159 H N 1.818 120.954 119.070 0.110 0.000 2.690 159 H HA 0.591 5.148 4.556 0.001 0.000 0.365 159 H C 0.128 175.546 175.328 0.150 0.000 1.142 159 H CA -0.446 55.670 56.048 0.113 0.000 1.417 159 H CB 1.049 30.874 29.762 0.105 0.000 1.446 159 H HN 0.483 nan 8.280 nan 0.000 0.599 160 S N 2.836 118.739 115.700 0.338 0.000 2.524 160 S HA 0.304 4.775 4.470 0.001 0.000 0.227 160 S C -1.155 173.623 174.600 0.296 0.000 1.304 160 S CA -0.855 57.535 58.200 0.315 0.000 1.185 160 S CB -0.421 62.903 63.200 0.206 0.000 1.104 160 S HN 0.567 nan 8.310 nan 0.000 0.475 161 V N 6.299 126.424 119.914 0.351 0.000 2.521 161 V HA 0.322 4.443 4.120 0.001 0.000 0.286 161 V C 0.170 176.394 176.094 0.216 0.000 1.034 161 V CA 0.059 62.484 62.300 0.207 0.000 1.045 161 V CB 0.613 32.523 31.823 0.145 0.000 0.974 161 V HN 0.750 nan 8.190 nan 0.000 0.480 162 I N 5.990 126.678 120.570 0.197 0.000 2.328 162 I HA 0.275 4.445 4.170 0.001 0.000 0.287 162 I C 0.044 176.357 176.117 0.326 0.000 1.012 162 I CA -0.567 60.889 61.300 0.261 0.000 1.195 162 I CB 0.961 39.068 38.000 0.180 0.000 1.350 162 I HN 0.542 nan 8.210 nan 0.000 0.464 163 F N 5.823 125.802 119.950 0.047 0.000 2.579 163 F HA -0.004 4.523 4.527 0.001 0.000 0.397 163 F C 1.543 177.335 175.800 -0.014 0.000 1.027 163 F CA 0.171 58.018 58.000 -0.255 0.000 1.217 163 F CB 0.765 39.247 39.000 -0.864 0.000 0.986 163 F HN 0.635 nan 8.300 nan 0.000 0.551 164 G N 4.225 112.527 108.800 -0.829 0.000 2.527 164 G HA2 -0.162 3.798 3.960 0.001 0.000 0.219 164 G HA3 -0.162 3.798 3.960 0.001 0.000 0.219 164 G C 1.431 175.847 174.900 -0.807 0.000 1.117 164 G CA 0.526 45.095 45.100 -0.885 0.000 0.759 164 G HN 1.026 nan 8.290 nan 0.000 0.556 165 G N -0.478 107.478 108.800 -1.405 0.000 3.042 165 G HA2 0.311 4.272 3.960 0.001 0.000 0.212 165 G HA3 0.311 4.272 3.960 0.001 0.000 0.212 165 G C 0.260 175.054 174.900 -0.176 0.000 1.166 165 G CA -0.759 43.946 45.100 -0.657 0.000 0.767 165 G HN 0.315 nan 8.290 nan 0.000 0.546 166 F N 1.799 121.806 119.950 0.094 0.000 2.490 166 F HA 0.300 4.827 4.527 0.001 0.000 0.336 166 F C 1.452 177.291 175.800 0.065 0.000 1.178 166 F CA -0.366 57.718 58.000 0.140 0.000 1.301 166 F CB 1.023 40.103 39.000 0.133 0.000 1.175 166 F HN 0.057 nan 8.300 nan 0.000 0.593 167 S N 1.946 117.800 115.700 0.257 0.000 2.672 167 S HA 0.355 4.826 4.470 0.001 0.000 0.276 167 S C -2.040 172.553 174.600 -0.012 0.000 1.207 167 S CA -1.316 56.937 58.200 0.087 0.000 1.002 167 S CB 1.633 64.852 63.200 0.033 0.000 0.998 167 S HN 0.297 nan 8.310 nan 0.000 0.542 168 P HA -0.188 nan 4.420 nan 0.000 0.216 168 P C 1.471 178.686 177.300 -0.141 0.000 1.157 168 P CA 1.704 64.733 63.100 -0.118 0.000 0.880 168 P CB -0.009 31.639 31.700 -0.087 0.000 0.791 169 E N -0.022 120.104 120.200 -0.123 0.000 2.038 169 E HA -0.208 4.143 4.350 0.001 0.000 0.195 169 E C 1.994 178.503 176.600 -0.151 0.000 1.000 169 E CA 1.899 58.217 56.400 -0.135 0.000 0.803 169 E CB -1.254 28.357 29.700 -0.148 0.000 0.750 169 E HN 0.093 nan 8.360 nan 0.000 0.448 170 A N 0.021 122.762 122.820 -0.132 0.000 1.940 170 A HA -0.146 4.174 4.320 0.001 0.000 0.219 170 A C 2.531 179.928 177.584 -0.311 0.000 1.176 170 A CA 1.691 53.602 52.037 -0.210 0.000 0.631 170 A CB -0.739 18.192 19.000 -0.115 0.000 0.814 170 A HN 0.220 nan 8.150 nan 0.000 0.446 171 V N -0.245 119.505 119.914 -0.272 0.000 2.358 171 V HA -0.233 3.887 4.120 0.001 0.000 0.246 171 V C 3.053 178.967 176.094 -0.300 0.000 1.047 171 V CA 1.830 63.914 62.300 -0.360 0.000 1.035 171 V CB -1.261 30.251 31.823 -0.520 0.000 0.658 171 V HN 0.629 nan 8.190 nan 0.000 0.452 172 A N 0.692 123.370 122.820 -0.237 0.000 1.865 172 A HA -0.171 4.150 4.320 0.001 0.000 0.217 172 A C 2.457 179.925 177.584 -0.193 0.000 1.191 172 A CA 2.251 54.175 52.037 -0.188 0.000 0.623 172 A CB -1.448 17.463 19.000 -0.148 0.000 0.826 172 A HN 0.528 nan 8.150 nan 0.000 0.444 173 G N -0.785 107.889 108.800 -0.210 0.000 2.440 173 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 173 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 173 G C 1.767 176.483 174.900 -0.306 0.000 1.154 173 G CA 1.027 46.000 45.100 -0.212 0.000 0.767 173 G HN 0.592 nan 8.290 nan 0.000 0.552 174 R N -0.245 119.982 120.500 -0.455 0.000 2.092 174 R HA 0.091 4.431 4.340 0.001 0.000 0.231 174 R C 2.570 178.642 176.300 -0.379 0.000 1.119 174 R CA 0.996 56.668 56.100 -0.713 0.000 0.970 174 R CB -0.330 29.510 30.300 -0.765 0.000 0.864 174 R HN 0.389 nan 8.270 nan 0.000 0.440 175 I N 0.452 120.878 120.570 -0.241 0.000 2.252 175 I HA -0.249 3.921 4.170 0.001 0.000 0.245 175 I C 2.157 178.228 176.117 -0.076 0.000 1.102 175 I CA 1.254 62.475 61.300 -0.131 0.000 1.385 175 I CB -0.158 37.763 38.000 -0.130 0.000 1.064 175 I HN 0.105 nan 8.210 nan 0.000 0.414 176 I N 0.703 121.220 120.570 -0.088 0.000 2.226 176 I HA -0.324 3.847 4.170 0.001 0.000 0.245 176 I C 2.140 178.266 176.117 0.014 0.000 1.100 176 I CA 1.850 63.125 61.300 -0.041 0.000 1.374 176 I CB -0.387 37.581 38.000 -0.054 0.000 1.057 176 I HN 0.251 nan 8.210 nan 0.000 0.413 177 D N 0.183 120.592 120.400 0.015 0.000 2.183 177 D HA -0.147 4.494 4.640 0.001 0.000 0.203 177 D C 2.092 178.588 176.300 0.328 0.000 0.969 177 D CA 1.271 55.359 54.000 0.146 0.000 0.842 177 D CB 0.176 41.069 40.800 0.154 0.000 0.957 177 D HN 0.300 nan 8.370 nan 0.000 0.484 178 S N -1.603 114.237 115.700 0.232 0.000 2.548 178 S HA 0.115 4.585 4.470 0.001 0.000 0.215 178 S C 0.808 175.500 174.600 0.153 0.000 0.976 178 S CA 0.079 58.402 58.200 0.206 0.000 0.908 178 S CB 0.164 63.398 63.200 0.057 0.000 0.781 178 S HN 0.037 nan 8.310 nan 0.000 0.519 179 S N 1.666 117.441 115.700 0.124 0.000 3.550 179 S HA -0.138 4.333 4.470 0.001 0.000 0.372 179 S C 0.092 174.711 174.600 0.031 0.000 0.966 179 S CA 0.513 58.757 58.200 0.074 0.000 1.229 179 S CB -2.004 61.263 63.200 0.111 0.000 0.917 179 S HN 0.752 nan 8.310 nan 0.000 0.496 180 S N 1.384 117.086 115.700 0.003 0.000 2.533 180 S HA 0.180 4.651 4.470 0.001 0.000 0.282 180 S C 1.483 176.073 174.600 -0.017 0.000 1.304 180 S CA -0.744 57.450 58.200 -0.009 0.000 1.063 180 S CB 0.776 63.967 63.200 -0.015 0.000 0.881 180 S HN 0.435 nan 8.310 nan 0.000 0.493 181 R N 0.722 121.215 120.500 -0.012 0.000 2.200 181 R HA 0.222 4.563 4.340 0.001 0.000 0.208 181 R C -0.071 176.214 176.300 -0.025 0.000 1.033 181 R CA 0.272 56.358 56.100 -0.023 0.000 1.000 181 R CB -0.569 29.724 30.300 -0.012 0.000 0.906 181 R HN 0.485 nan 8.270 nan 0.000 0.462 182 L N -0.179 121.040 121.223 -0.006 0.000 2.482 182 L HA 0.401 4.742 4.340 0.001 0.000 0.263 182 L C -1.406 175.475 176.870 0.018 0.000 0.957 182 L CA -0.856 53.991 54.840 0.011 0.000 0.836 182 L CB 2.582 44.658 42.059 0.029 0.000 1.324 182 L HN -0.295 nan 8.230 nan 0.000 0.406 183 V N 5.666 125.590 119.914 0.016 0.000 2.459 183 V HA 0.544 4.664 4.120 0.001 0.000 0.295 183 V C -0.105 176.035 176.094 0.077 0.000 1.029 183 V CA -0.386 61.934 62.300 0.032 0.000 0.874 183 V CB 1.637 33.455 31.823 -0.009 0.000 0.985 183 V HN 0.605 nan 8.190 nan 0.000 0.438 184 I N 4.033 124.677 120.570 0.122 0.000 2.378 184 I HA 0.620 4.790 4.170 0.001 0.000 0.291 184 I C 0.194 176.403 176.117 0.154 0.000 0.992 184 I CA 0.214 61.622 61.300 0.180 0.000 1.154 184 I CB 1.979 40.126 38.000 0.245 0.000 1.315 184 I HN 0.739 nan 8.210 nan 0.000 0.448 185 T N 4.044 118.684 114.554 0.144 0.000 2.618 185 T HA 0.851 5.202 4.350 0.001 0.000 0.293 185 T C -1.725 173.002 174.700 0.044 0.000 1.093 185 T CA -0.421 61.730 62.100 0.085 0.000 1.061 185 T CB 1.755 70.706 68.868 0.139 0.000 1.498 185 T HN 0.632 nan 8.240 nan 0.000 0.494 186 A N 0.562 123.374 122.820 -0.013 0.000 2.469 186 A HA 0.646 4.966 4.320 0.001 0.000 0.299 186 A C 0.661 178.263 177.584 0.031 0.000 1.098 186 A CA 0.035 52.062 52.037 -0.015 0.000 0.737 186 A CB 1.282 20.208 19.000 -0.123 0.000 1.312 186 A HN 0.888 nan 8.150 nan 0.000 0.414 187 D N 0.478 120.941 120.400 0.104 0.000 2.092 187 D HA -0.097 4.544 4.640 0.001 0.000 0.193 187 D C 0.282 176.605 176.300 0.038 0.000 0.994 187 D CA 1.829 55.907 54.000 0.130 0.000 0.828 187 D CB 0.061 40.999 40.800 0.231 0.000 0.963 187 D HN 0.639 nan 8.370 nan 0.000 0.450 188 E N -1.536 118.656 120.200 -0.013 0.000 2.366 188 E HA 0.586 4.936 4.350 0.001 0.000 0.278 188 E C -0.750 175.785 176.600 -0.108 0.000 0.923 188 E CA -0.819 55.545 56.400 -0.059 0.000 0.761 188 E CB 2.378 32.053 29.700 -0.041 0.000 1.231 188 E HN 0.203 nan 8.360 nan 0.000 0.443 189 G N 0.395 109.106 108.800 -0.148 0.000 2.425 189 G HA2 0.480 4.441 3.960 0.001 0.000 0.302 189 G HA3 0.480 4.441 3.960 0.001 0.000 0.302 189 G C -0.690 174.125 174.900 -0.142 0.000 1.159 189 G CA -0.327 44.672 45.100 -0.169 0.000 0.865 189 G HN 0.206 nan 8.290 nan 0.000 0.515 190 V N 1.968 121.804 119.914 -0.130 0.000 2.357 190 V HA 0.649 4.769 4.120 0.001 0.000 0.284 190 V C 0.209 176.189 176.094 -0.189 0.000 1.018 190 V CA -0.717 61.500 62.300 -0.137 0.000 0.841 190 V CB 1.049 32.824 31.823 -0.081 0.000 0.991 190 V HN 0.889 nan 8.190 nan 0.000 0.437 191 R N 4.639 124.991 120.500 -0.246 0.000 2.522 191 R HA 0.640 4.981 4.340 0.001 0.000 0.283 191 R C 0.008 176.036 176.300 -0.453 0.000 1.074 191 R CA 0.171 56.090 56.100 -0.301 0.000 0.925 191 R CB 1.700 31.859 30.300 -0.235 0.000 1.205 191 R HN 1.348 nan 8.270 nan 0.000 0.436 192 A N 2.535 124.964 122.820 -0.650 0.000 2.869 192 A HA -0.108 4.212 4.320 0.001 0.000 0.280 192 A C 1.046 177.459 177.584 -1.952 0.000 1.458 192 A CA 1.451 52.661 52.037 -1.379 0.000 0.776 192 A CB -2.195 16.302 19.000 -0.839 0.000 1.028 192 A HN 2.342 nan 8.150 nan 0.000 0.547 193 G N -2.254 105.660 108.800 -1.476 0.000 2.176 193 G HA2 -0.209 3.751 3.960 0.001 0.000 0.252 193 G HA3 -0.209 3.751 3.960 0.001 0.000 0.252 193 G C 0.027 174.703 174.900 -0.373 0.000 1.024 193 G CA 1.092 45.735 45.100 -0.761 0.000 0.755 193 G HN 1.411 nan 8.290 nan 0.000 0.507 194 R N -1.124 119.166 120.500 -0.351 0.000 2.799 194 R HA 0.605 4.945 4.340 0.001 0.000 0.270 194 R C -0.910 175.287 176.300 -0.172 0.000 1.010 194 R CA -0.750 55.222 56.100 -0.215 0.000 0.916 194 R CB 1.456 31.627 30.300 -0.216 0.000 1.228 194 R HN 0.118 nan 8.270 nan 0.000 0.469 195 S N 1.664 117.292 115.700 -0.121 0.000 2.457 195 S HA 0.421 4.891 4.470 0.001 0.000 0.289 195 S C -0.199 174.337 174.600 -0.107 0.000 1.163 195 S CA -0.602 57.536 58.200 -0.102 0.000 1.078 195 S CB 0.466 63.626 63.200 -0.067 0.000 0.987 195 S HN 0.226 nan 8.310 nan 0.000 0.482 196 I N 6.233 126.728 120.570 -0.125 0.000 2.312 196 I HA 0.317 4.488 4.170 0.001 0.000 0.290 196 I C -2.089 173.963 176.117 -0.108 0.000 1.008 196 I CA -3.249 57.971 61.300 -0.133 0.000 1.226 196 I CB 0.874 38.755 38.000 -0.198 0.000 1.371 196 I HN 0.327 nan 8.210 nan 0.000 0.468 197 P HA 0.207 nan 4.420 nan 0.000 0.220 197 P C 1.096 178.388 177.300 -0.013 0.000 1.806 197 P CA -0.156 62.925 63.100 -0.031 0.000 0.976 197 P CB 0.246 31.939 31.700 -0.011 0.000 1.952 198 L N 0.546 121.733 121.223 -0.059 0.000 1.990 198 L HA -0.265 4.076 4.340 0.001 0.000 0.213 198 L C 2.570 179.503 176.870 0.105 0.000 1.072 198 L CA 2.008 56.823 54.840 -0.042 0.000 0.755 198 L CB -0.800 41.117 42.059 -0.237 0.000 0.889 198 L HN 0.176 nan 8.230 nan 0.000 0.432 199 K N 0.892 121.328 120.400 0.061 0.000 2.057 199 K HA -0.213 4.107 4.320 0.001 0.000 0.206 199 K C 2.038 178.669 176.600 0.052 0.000 1.050 199 K CA 1.612 57.940 56.287 0.069 0.000 0.935 199 K CB -0.193 32.351 32.500 0.072 0.000 0.715 199 K HN 0.026 nan 8.250 nan 0.000 0.439 200 K N 0.277 120.706 120.400 0.049 0.000 2.103 200 K HA -0.132 4.189 4.320 0.001 0.000 0.207 200 K C 1.651 178.267 176.600 0.027 0.000 1.048 200 K CA 1.755 58.061 56.287 0.032 0.000 0.930 200 K CB -0.147 32.370 32.500 0.029 0.000 0.716 200 K HN 0.182 nan 8.250 nan 0.000 0.444 201 N N 0.105 118.841 118.700 0.061 0.000 2.166 201 N HA -0.134 4.607 4.740 0.001 0.000 0.186 201 N C 1.668 177.172 175.510 -0.011 0.000 1.019 201 N CA 1.161 54.244 53.050 0.054 0.000 0.856 201 N CB -0.267 38.321 38.487 0.169 0.000 0.993 201 N HN 0.007 nan 8.380 nan 0.000 0.426 202 V N 1.702 121.625 119.914 0.015 0.000 2.307 202 V HA -0.203 3.918 4.120 0.001 0.000 0.245 202 V C 1.613 177.663 176.094 -0.074 0.000 1.045 202 V CA 1.612 63.877 62.300 -0.059 0.000 1.024 202 V CB -0.501 31.315 31.823 -0.012 0.000 0.651 202 V HN 0.186 nan 8.190 nan 0.000 0.449 203 D N 0.304 120.673 120.400 -0.052 0.000 2.126 203 D HA -0.197 4.444 4.640 0.001 0.000 0.190 203 D C 1.913 178.176 176.300 -0.062 0.000 1.001 203 D CA 1.745 55.708 54.000 -0.061 0.000 0.841 203 D CB -0.446 40.331 40.800 -0.039 0.000 0.949 203 D HN 0.424 nan 8.370 nan 0.000 0.446 204 D N 0.225 120.594 120.400 -0.052 0.000 2.117 204 D HA -0.081 4.560 4.640 0.001 0.000 0.197 204 D C 2.039 178.292 176.300 -0.078 0.000 0.987 204 D CA 1.281 55.247 54.000 -0.056 0.000 0.829 204 D CB -0.432 40.340 40.800 -0.046 0.000 0.961 204 D HN 0.166 nan 8.370 nan 0.000 0.460 205 A N 0.822 123.582 122.820 -0.100 0.000 1.917 205 A HA -0.147 4.174 4.320 0.001 0.000 0.219 205 A C 2.237 179.755 177.584 -0.110 0.000 1.182 205 A CA 1.090 53.051 52.037 -0.125 0.000 0.633 205 A CB -0.774 18.120 19.000 -0.176 0.000 0.819 205 A HN 0.266 nan 8.150 nan 0.000 0.448 206 L N -1.481 119.681 121.223 -0.103 0.000 2.599 206 L HA 0.030 4.370 4.340 0.001 0.000 0.230 206 L C 1.873 178.694 176.870 -0.081 0.000 1.141 206 L CA 0.483 55.265 54.840 -0.097 0.000 0.877 206 L CB -0.190 41.806 42.059 -0.105 0.000 1.009 206 L HN 0.312 nan 8.230 nan 0.000 0.447 207 K N -0.182 120.175 120.400 -0.072 0.000 2.418 207 K HA -0.013 4.307 4.320 0.001 0.000 0.195 207 K C 0.834 177.400 176.600 -0.056 0.000 1.035 207 K CA -0.132 56.120 56.287 -0.059 0.000 1.003 207 K CB -0.003 32.467 32.500 -0.050 0.000 0.793 207 K HN 0.118 nan 8.250 nan 0.000 0.494 208 N N 2.573 121.234 118.700 -0.065 0.000 2.423 208 N HA -0.031 4.710 4.740 0.001 0.000 0.275 208 N C -1.780 173.697 175.510 -0.055 0.000 1.283 208 N CA -1.207 51.807 53.050 -0.061 0.000 0.932 208 N CB 0.971 39.414 38.487 -0.074 0.000 1.185 208 N HN -0.032 nan 8.380 nan 0.000 0.483 209 P HA -0.160 nan 4.420 nan 0.000 0.218 209 P C 0.538 177.814 177.300 -0.041 0.000 1.146 209 P CA 1.166 64.242 63.100 -0.040 0.000 0.813 209 P CB 0.392 32.074 31.700 -0.031 0.000 0.778 210 N N -0.343 118.332 118.700 -0.042 0.000 2.459 210 N HA -0.015 4.725 4.740 0.001 0.000 0.181 210 N C 0.328 175.810 175.510 -0.046 0.000 1.046 210 N CA 0.394 53.420 53.050 -0.040 0.000 0.904 210 N CB -0.102 38.363 38.487 -0.037 0.000 0.964 210 N HN 0.081 nan 8.380 nan 0.000 0.444 211 V N 2.080 121.959 119.914 -0.058 0.000 2.421 211 V HA 0.041 4.161 4.120 0.001 0.000 0.271 211 V C 1.372 177.430 176.094 -0.060 0.000 1.031 211 V CA 0.540 62.801 62.300 -0.064 0.000 1.032 211 V CB 0.726 32.500 31.823 -0.081 0.000 1.009 211 V HN 0.320 nan 8.190 nan 0.000 0.477 212 T N -0.892 113.631 114.554 -0.053 0.000 3.041 212 T HA 0.004 4.354 4.350 0.001 0.000 0.276 212 T C 1.397 176.064 174.700 -0.054 0.000 0.948 212 T CA 0.480 62.548 62.100 -0.052 0.000 0.885 212 T CB 0.245 69.089 68.868 -0.040 0.000 1.175 212 T HN 0.637 nan 8.240 nan 0.000 0.529 213 S N 0.648 116.318 115.700 -0.050 0.000 2.548 213 S HA 0.315 4.785 4.470 0.001 0.000 0.215 213 S C 0.463 175.024 174.600 -0.065 0.000 0.976 213 S CA -0.334 57.840 58.200 -0.045 0.000 0.908 213 S CB -0.269 62.918 63.200 -0.022 0.000 0.781 213 S HN 0.304 nan 8.310 nan 0.000 0.519 214 V N 2.522 122.385 119.914 -0.084 0.000 2.432 214 V HA 0.292 4.413 4.120 0.001 0.000 0.271 214 V C 0.786 176.782 176.094 -0.163 0.000 1.046 214 V CA -0.128 62.109 62.300 -0.105 0.000 0.945 214 V CB 0.998 32.760 31.823 -0.102 0.000 0.992 214 V HN 0.406 nan 8.190 nan 0.000 0.471 215 E N 2.640 122.715 120.200 -0.208 0.000 2.132 215 E HA 0.151 4.502 4.350 0.001 0.000 0.193 215 E C 0.096 176.283 176.600 -0.688 0.000 0.951 215 E CA 0.509 56.655 56.400 -0.424 0.000 0.843 215 E CB 0.379 29.849 29.700 -0.383 0.000 0.807 215 E HN 0.720 nan 8.360 nan 0.000 0.467 216 H N -1.030 117.980 119.070 -0.099 0.000 2.928 216 H HA 0.415 4.972 4.556 0.001 0.000 0.371 216 H C -1.131 174.122 175.328 -0.124 0.000 1.186 216 H CA -0.762 55.210 56.048 -0.127 0.000 1.134 216 H CB 1.818 31.510 29.762 -0.115 0.000 1.824 216 H HN -0.177 nan 8.280 nan 0.000 0.554 217 V N 3.304 123.199 119.914 -0.032 0.000 2.409 217 V HA 0.291 4.411 4.120 0.001 0.000 0.291 217 V C 0.398 176.453 176.094 -0.066 0.000 1.020 217 V CA -0.580 61.679 62.300 -0.069 0.000 0.848 217 V CB 1.346 33.078 31.823 -0.151 0.000 0.990 217 V HN 0.472 nan 8.190 nan 0.000 0.430 218 I N 5.133 125.724 120.570 0.036 0.000 2.342 218 I HA 0.405 4.576 4.170 0.001 0.000 0.291 218 I C -0.428 175.796 176.117 0.180 0.000 1.010 218 I CA -0.451 60.918 61.300 0.116 0.000 1.308 218 I CB 1.546 39.665 38.000 0.198 0.000 1.400 218 I HN 0.292 nan 8.210 nan 0.000 0.488 219 V N 7.122 127.159 119.914 0.206 0.000 2.444 219 V HA 0.294 4.414 4.120 0.001 0.000 0.294 219 V C -0.201 176.160 176.094 0.446 0.000 1.022 219 V CA -0.751 61.683 62.300 0.222 0.000 0.850 219 V CB 1.706 33.550 31.823 0.036 0.000 0.992 219 V HN 0.432 nan 8.190 nan 0.000 0.426 220 L N 4.511 125.916 121.223 0.303 0.000 2.331 220 L HA 0.396 4.737 4.340 0.001 0.000 0.278 220 L C 0.525 177.532 176.870 0.227 0.000 1.106 220 L CA 0.146 55.083 54.840 0.161 0.000 0.824 220 L CB 0.741 42.634 42.059 -0.276 0.000 1.142 220 L HN 0.696 nan 8.230 nan 0.000 0.443 221 K N 4.088 124.618 120.400 0.217 0.000 2.127 221 K HA 0.099 4.420 4.320 0.001 0.000 0.261 221 K C 0.872 177.430 176.600 -0.070 0.000 1.129 221 K CA -0.180 56.149 56.287 0.070 0.000 0.993 221 K CB 0.207 32.567 32.500 -0.234 0.000 1.410 221 K HN 0.691 nan 8.250 nan 0.000 0.380 222 R N 1.384 121.847 120.500 -0.062 0.000 2.075 222 R HA -0.027 4.313 4.340 0.001 0.000 0.220 222 R C 1.672 177.923 176.300 -0.081 0.000 1.118 222 R CA 2.244 58.273 56.100 -0.118 0.000 0.986 222 R CB -0.266 29.949 30.300 -0.142 0.000 0.884 222 R HN 0.574 nan 8.270 nan 0.000 0.439 223 T N -3.961 110.564 114.554 -0.049 0.000 3.014 223 T HA 0.247 4.597 4.350 0.001 0.000 0.250 223 T C 1.360 176.033 174.700 -0.044 0.000 1.060 223 T CA 0.342 62.418 62.100 -0.040 0.000 1.040 223 T CB 0.237 69.088 68.868 -0.029 0.000 0.971 223 T HN 0.408 nan 8.240 nan 0.000 0.497 224 G N 2.178 110.948 108.800 -0.050 0.000 2.168 224 G HA2 -0.298 3.662 3.960 0.001 0.000 0.257 224 G HA3 -0.298 3.662 3.960 0.001 0.000 0.257 224 G C 0.309 175.189 174.900 -0.034 0.000 0.997 224 G CA 0.561 45.614 45.100 -0.078 0.000 0.708 224 G HN 1.352 nan 8.290 nan 0.000 0.520 225 S N -0.116 115.587 115.700 0.005 0.000 2.580 225 S HA 0.403 4.874 4.470 0.001 0.000 0.266 225 S C 0.134 174.762 174.600 0.048 0.000 1.354 225 S CA -0.114 58.098 58.200 0.019 0.000 1.008 225 S CB 1.207 64.421 63.200 0.023 0.000 0.898 225 S HN 0.237 nan 8.310 nan 0.000 0.555 226 D N 1.409 121.834 120.400 0.042 0.000 2.424 226 D HA 0.452 5.093 4.640 0.001 0.000 0.244 226 D C 0.430 176.788 176.300 0.098 0.000 1.134 226 D CA 0.187 54.224 54.000 0.062 0.000 0.881 226 D CB 0.338 41.164 40.800 0.043 0.000 1.191 226 D HN 0.681 nan 8.370 nan 0.000 0.445 227 I N -2.297 118.359 120.570 0.142 0.000 3.279 227 I HA 0.440 4.610 4.170 0.001 0.000 0.315 227 I C -0.837 175.391 176.117 0.186 0.000 1.187 227 I CA -1.189 60.211 61.300 0.166 0.000 0.953 227 I CB 2.153 40.285 38.000 0.221 0.000 1.279 227 I HN -0.108 nan 8.210 nan 0.000 0.465 228 D N 1.607 122.108 120.400 0.168 0.000 2.264 228 D HA 0.229 4.870 4.640 0.001 0.000 0.249 228 D C -1.523 174.940 176.300 0.270 0.000 1.070 228 D CA 0.233 54.334 54.000 0.168 0.000 0.912 228 D CB 1.968 42.820 40.800 0.087 0.000 1.193 228 D HN 0.521 nan 8.370 nan 0.000 0.427 229 W N 1.839 123.134 121.300 -0.009 0.000 2.683 229 W HA 0.205 4.865 4.660 0.001 0.000 0.329 229 W C -0.775 175.721 176.519 -0.039 0.000 1.037 229 W CA -0.708 56.611 57.345 -0.044 0.000 1.232 229 W CB 1.726 31.185 29.460 -0.002 0.000 1.390 229 W HN 0.239 nan 8.180 nan 0.000 0.465 230 Q N 4.210 123.762 119.800 -0.413 0.000 2.421 230 Q HA 0.061 4.402 4.340 0.001 0.000 0.242 230 Q C -0.123 175.645 176.000 -0.388 0.000 1.024 230 Q CA -0.326 55.292 55.803 -0.309 0.000 0.891 230 Q CB 0.900 29.481 28.738 -0.262 0.000 1.222 230 Q HN 0.358 nan 8.270 nan 0.000 0.483 231 E N 1.567 121.690 120.200 -0.129 0.000 2.653 231 E HA -0.046 4.305 4.350 0.001 0.000 0.264 231 E C 1.013 177.570 176.600 -0.072 0.000 0.949 231 E CA 2.059 58.447 56.400 -0.020 0.000 0.953 231 E CB 0.241 29.982 29.700 0.068 0.000 0.925 231 E HN 0.836 nan 8.360 nan 0.000 0.475 232 G N 4.092 112.872 108.800 -0.034 0.000 2.579 232 G HA2 -0.425 3.535 3.960 0.001 0.000 0.222 232 G HA3 -0.425 3.535 3.960 0.001 0.000 0.222 232 G C 1.309 176.225 174.900 0.026 0.000 1.201 232 G CA 0.584 45.685 45.100 0.002 0.000 0.710 232 G HN 0.566 nan 8.290 nan 0.000 0.516 233 R N 1.021 121.458 120.500 -0.105 0.000 2.090 233 R HA 0.117 4.457 4.340 0.001 0.000 0.219 233 R C -0.315 175.871 176.300 -0.190 0.000 1.100 233 R CA 0.982 57.019 56.100 -0.105 0.000 0.991 233 R CB 0.013 30.183 30.300 -0.217 0.000 0.893 233 R HN 0.379 nan 8.270 nan 0.000 0.443 234 D N 1.260 121.322 120.400 -0.562 0.000 2.249 234 D HA 0.273 4.914 4.640 0.001 0.000 0.246 234 D C -0.710 175.197 176.300 -0.656 0.000 1.114 234 D CA 0.070 53.459 54.000 -1.018 0.000 0.854 234 D CB 1.588 41.046 40.800 -2.236 0.000 1.132 234 D HN 0.135 nan 8.370 nan 0.000 0.461 235 L N 1.711 122.744 121.223 -0.316 0.000 2.385 235 L HA 0.430 4.770 4.340 0.001 0.000 0.273 235 L C -0.494 176.509 176.870 0.222 0.000 0.990 235 L CA -1.110 53.770 54.840 0.067 0.000 0.821 235 L CB 1.663 43.707 42.059 -0.025 0.000 1.279 235 L HN 0.263 nan 8.230 nan 0.000 0.412 236 W N 2.610 124.196 121.300 0.477 0.000 2.253 236 W HA 0.017 4.677 4.660 0.001 0.000 0.322 236 W C 1.185 177.870 176.519 0.277 0.000 1.342 236 W CA -0.128 57.422 57.345 0.341 0.000 1.218 236 W CB 0.620 30.169 29.460 0.147 0.000 1.205 236 W HN 0.646 nan 8.180 nan 0.000 0.551 237 W N 4.242 125.776 121.300 0.390 0.000 2.290 237 W HA -0.337 4.324 4.660 0.001 0.000 0.328 237 W C 1.966 178.609 176.519 0.207 0.000 1.272 237 W CA 2.220 59.718 57.345 0.255 0.000 1.262 237 W CB -0.448 29.111 29.460 0.164 0.000 1.151 237 W HN 0.478 nan 8.180 nan 0.000 0.473 238 R N 0.431 121.247 120.500 0.528 0.000 2.115 238 R HA -0.136 4.205 4.340 0.001 0.000 0.226 238 R C 1.930 178.336 176.300 0.176 0.000 1.100 238 R CA 1.790 58.090 56.100 0.333 0.000 0.980 238 R CB -0.596 29.832 30.300 0.214 0.000 0.875 238 R HN 0.028 nan 8.270 nan 0.000 0.445 239 D N 0.724 121.241 120.400 0.195 0.000 2.117 239 D HA -0.167 4.474 4.640 0.001 0.000 0.197 239 D C 1.966 178.307 176.300 0.068 0.000 0.987 239 D CA 1.152 55.229 54.000 0.128 0.000 0.829 239 D CB -0.028 40.879 40.800 0.178 0.000 0.961 239 D HN 0.289 nan 8.370 nan 0.000 0.460 240 L N 0.566 121.819 121.223 0.049 0.000 2.044 240 L HA -0.059 4.281 4.340 0.001 0.000 0.205 240 L C 2.618 179.441 176.870 -0.079 0.000 1.075 240 L CA 0.536 55.347 54.840 -0.049 0.000 0.747 240 L CB -0.138 41.849 42.059 -0.119 0.000 0.903 240 L HN 0.006 nan 8.230 nan 0.000 0.435 241 I N -0.118 120.407 120.570 -0.075 0.000 2.394 241 I HA -0.244 3.926 4.170 0.001 0.000 0.251 241 I C 2.109 178.221 176.117 -0.008 0.000 1.136 241 I CA 1.360 62.621 61.300 -0.064 0.000 1.425 241 I CB 0.102 38.066 38.000 -0.060 0.000 1.079 241 I HN 0.368 nan 8.210 nan 0.000 0.425 242 E N 0.202 120.412 120.200 0.017 0.000 2.285 242 E HA -0.162 4.189 4.350 0.001 0.000 0.194 242 E C 1.851 178.453 176.600 0.002 0.000 0.997 242 E CA 0.461 56.872 56.400 0.019 0.000 0.845 242 E CB 0.165 29.883 29.700 0.030 0.000 0.782 242 E HN 0.380 nan 8.360 nan 0.000 0.491 243 K N 0.503 120.898 120.400 -0.009 0.000 2.365 243 K HA 0.046 4.367 4.320 0.001 0.000 0.199 243 K C 0.510 177.092 176.600 -0.030 0.000 1.045 243 K CA 0.251 56.527 56.287 -0.019 0.000 0.962 243 K CB 0.299 32.783 32.500 -0.026 0.000 0.759 243 K HN -0.025 nan 8.250 nan 0.000 0.469 244 A N 0.821 123.616 122.820 -0.040 0.000 2.312 244 A HA 0.280 4.601 4.320 0.001 0.000 0.328 244 A C -0.243 177.324 177.584 -0.027 0.000 1.158 244 A CA -0.492 51.514 52.037 -0.051 0.000 0.821 244 A CB 1.270 20.214 19.000 -0.093 0.000 1.170 244 A HN 0.090 nan 8.150 nan 0.000 0.490 245 S N 1.696 117.385 115.700 -0.019 0.000 2.549 245 S HA 0.280 4.750 4.470 0.001 0.000 0.286 245 S C -1.563 173.041 174.600 0.006 0.000 1.314 245 S CA -0.865 57.335 58.200 0.000 0.000 1.062 245 S CB 0.369 63.575 63.200 0.009 0.000 0.865 245 S HN 0.458 nan 8.310 nan 0.000 0.498 246 P HA 0.153 nan 4.420 nan 0.000 0.245 246 P C -0.516 176.805 177.300 0.035 0.000 1.212 246 P CA 0.366 63.479 63.100 0.021 0.000 0.774 246 P CB 0.051 31.771 31.700 0.034 0.000 0.999 247 E N 0.664 120.893 120.200 0.049 0.000 2.174 247 E HA 0.253 4.603 4.350 0.001 0.000 0.282 247 E C -0.400 176.262 176.600 0.102 0.000 0.992 247 E CA -0.110 56.331 56.400 0.068 0.000 0.803 247 E CB 1.045 30.774 29.700 0.048 0.000 1.090 247 E HN 0.287 nan 8.360 nan 0.000 0.396 248 H N 2.113 121.178 119.070 -0.008 0.000 2.865 248 H HA 0.214 4.771 4.556 0.001 0.000 0.362 248 H C -1.322 174.017 175.328 0.017 0.000 1.114 248 H CA -0.744 55.295 56.048 -0.014 0.000 1.208 248 H CB 2.181 31.916 29.762 -0.045 0.000 1.727 248 H HN 0.296 nan 8.280 nan 0.000 0.534 249 Q N 6.125 125.521 119.800 -0.673 0.000 2.398 249 Q HA 0.327 4.668 4.340 0.001 0.000 0.251 249 Q C -2.673 173.065 176.000 -0.436 0.000 0.999 249 Q CA -1.993 53.583 55.803 -0.378 0.000 0.874 249 Q CB 1.316 29.906 28.738 -0.247 0.000 1.215 249 Q HN 0.361 nan 8.270 nan 0.000 0.470 250 P HA 0.112 nan 4.420 nan 0.000 0.276 250 P C -0.756 176.535 177.300 -0.015 0.000 1.253 250 P CA -0.046 63.057 63.100 0.005 0.000 0.766 250 P CB 0.889 32.635 31.700 0.077 0.000 0.845 251 E N 1.902 122.106 120.200 0.006 0.000 2.345 251 E HA 0.411 4.762 4.350 0.001 0.000 0.259 251 E C 0.266 176.877 176.600 0.018 0.000 1.117 251 E CA -0.835 55.568 56.400 0.005 0.000 0.913 251 E CB 0.731 30.439 29.700 0.013 0.000 1.057 251 E HN 0.460 nan 8.360 nan 0.000 0.432 252 A N 2.363 125.195 122.820 0.020 0.000 2.462 252 A HA 0.338 4.659 4.320 0.001 0.000 0.243 252 A C 0.066 177.669 177.584 0.033 0.000 1.076 252 A CA -0.113 51.941 52.037 0.029 0.000 0.773 252 A CB 0.075 19.102 19.000 0.044 0.000 1.010 252 A HN 0.416 nan 8.150 nan 0.000 0.493 253 M N 2.267 121.885 119.600 0.031 0.000 2.528 253 M HA 0.300 4.781 4.480 0.001 0.000 0.321 253 M C -0.338 176.000 176.300 0.063 0.000 1.153 253 M CA -0.822 54.498 55.300 0.035 0.000 0.951 253 M CB 1.264 33.873 32.600 0.014 0.000 1.705 253 M HN 0.643 nan 8.290 nan 0.000 0.451 254 N N 1.155 119.900 118.700 0.074 0.000 2.492 254 N HA 0.140 4.881 4.740 0.001 0.000 0.262 254 N C 0.988 176.579 175.510 0.135 0.000 1.202 254 N CA 0.151 53.269 53.050 0.113 0.000 0.926 254 N CB 1.218 39.757 38.487 0.086 0.000 1.078 254 N HN 0.806 nan 8.380 nan 0.000 0.454 255 A N 2.831 125.793 122.820 0.236 0.000 1.985 255 A HA -0.217 4.103 4.320 0.001 0.000 0.223 255 A C 1.504 179.199 177.584 0.184 0.000 1.189 255 A CA 1.577 53.787 52.037 0.289 0.000 0.658 255 A CB -0.112 19.191 19.000 0.506 0.000 0.820 255 A HN 0.611 nan 8.150 nan 0.000 0.464 256 E N 0.681 120.963 120.200 0.136 0.000 2.465 256 E HA 0.063 4.414 4.350 0.001 0.000 0.191 256 E C -0.660 175.957 176.600 0.029 0.000 1.053 256 E CA -0.165 56.281 56.400 0.075 0.000 0.869 256 E CB -0.184 29.549 29.700 0.056 0.000 0.977 256 E HN 0.528 nan 8.360 nan 0.000 0.483 257 D N 2.595 123.014 120.400 0.031 0.000 2.424 257 D HA 0.057 4.698 4.640 0.001 0.000 0.244 257 D C -2.173 174.110 176.300 -0.028 0.000 1.134 257 D CA -1.443 52.560 54.000 0.004 0.000 0.881 257 D CB 0.718 41.525 40.800 0.012 0.000 1.191 257 D HN -0.007 nan 8.370 nan 0.000 0.445 258 P HA -0.014 nan 4.420 nan 0.000 0.271 258 P C 0.268 177.497 177.300 -0.119 0.000 1.216 258 P CA -0.324 62.717 63.100 -0.100 0.000 0.776 258 P CB 1.180 32.833 31.700 -0.079 0.000 0.881 259 L N 3.850 124.954 121.223 -0.199 0.000 2.519 259 L HA 0.392 4.733 4.340 0.001 0.000 0.194 259 L C 0.248 177.002 176.870 -0.193 0.000 1.072 259 L CA 1.121 55.856 54.840 -0.175 0.000 0.845 259 L CB -0.042 41.906 42.059 -0.186 0.000 1.138 259 L HN 0.453 nan 8.230 nan 0.000 0.487 260 F N -1.436 118.326 119.950 -0.313 0.000 2.711 260 F HA 0.688 5.215 4.527 0.001 0.000 0.313 260 F C -1.241 174.441 175.800 -0.196 0.000 1.141 260 F CA -1.719 56.053 58.000 -0.381 0.000 0.941 260 F CB 0.679 39.325 39.000 -0.590 0.000 1.349 260 F HN -0.241 nan 8.300 nan 0.000 0.464 261 I N 2.595 123.260 120.570 0.158 0.000 2.509 261 I HA 0.509 4.679 4.170 0.001 0.000 0.293 261 I C -1.321 174.950 176.117 0.256 0.000 1.020 261 I CA -0.831 60.486 61.300 0.029 0.000 1.088 261 I CB 2.171 40.044 38.000 -0.213 0.000 1.267 261 I HN 0.560 nan 8.210 nan 0.000 0.430 262 L N 6.153 127.474 121.223 0.164 0.000 2.404 262 L HA 0.444 4.784 4.340 0.001 0.000 0.272 262 L C -1.221 175.683 176.870 0.057 0.000 0.980 262 L CA -0.688 54.276 54.840 0.206 0.000 0.836 262 L CB 1.749 43.968 42.059 0.268 0.000 1.238 262 L HN 0.454 nan 8.230 nan 0.000 0.408 263 Y N 2.154 122.551 120.300 0.161 0.000 2.442 263 Y HA 0.231 4.782 4.550 0.001 0.000 0.330 263 Y C 0.616 176.631 175.900 0.191 0.000 1.129 263 Y CA 0.402 58.579 58.100 0.129 0.000 1.365 263 Y CB 1.083 39.562 38.460 0.031 0.000 1.233 263 Y HN 0.382 nan 8.280 nan 0.000 0.529 264 T N 2.366 117.078 114.554 0.264 0.000 2.921 264 T HA 0.284 4.634 4.350 0.001 0.000 0.297 264 T C -0.427 174.394 174.700 0.202 0.000 1.013 264 T CA -1.029 61.215 62.100 0.241 0.000 0.990 264 T CB 1.174 70.159 68.868 0.195 0.000 1.023 264 T HN 0.452 nan 8.240 nan 0.000 0.447 265 S N 1.556 117.366 115.700 0.183 0.000 2.576 265 S HA 0.632 5.103 4.470 0.001 0.000 0.276 265 S C 0.771 175.428 174.600 0.096 0.000 1.339 265 S CA -0.454 57.828 58.200 0.137 0.000 1.039 265 S CB 0.789 64.063 63.200 0.124 0.000 0.902 265 S HN 0.937 nan 8.310 nan 0.000 0.516 266 G N 0.333 109.173 108.800 0.067 0.000 3.176 266 G HA2 0.452 4.412 3.960 0.001 0.000 0.272 266 G HA3 0.452 4.412 3.960 0.001 0.000 0.272 266 G C 0.717 175.617 174.900 -0.001 0.000 1.349 266 G CA -0.367 44.745 45.100 0.021 0.000 0.953 266 G HN 0.559 nan 8.290 nan 0.000 0.559 267 S N -1.361 114.315 115.700 -0.040 0.000 2.368 267 S HA 0.050 4.520 4.470 0.001 0.000 0.224 267 S C 1.211 175.800 174.600 -0.018 0.000 1.029 267 S CA 1.871 60.051 58.200 -0.033 0.000 0.988 267 S CB -0.287 62.880 63.200 -0.056 0.000 0.838 267 S HN 0.889 nan 8.310 nan 0.000 0.462 268 T N -1.041 113.497 114.554 -0.026 0.000 2.930 268 T HA 0.695 5.046 4.350 0.001 0.000 0.290 268 T C 0.362 175.064 174.700 0.003 0.000 1.052 268 T CA -0.325 61.769 62.100 -0.010 0.000 1.017 268 T CB 1.191 70.048 68.868 -0.019 0.000 1.137 268 T HN 0.663 nan 8.240 nan 0.000 0.511 269 G N 1.158 109.968 108.800 0.016 0.000 2.796 269 G HA2 -0.152 3.809 3.960 0.001 0.000 0.226 269 G HA3 -0.152 3.809 3.960 0.001 0.000 0.226 269 G C -0.597 174.328 174.900 0.042 0.000 1.381 269 G CA -0.587 44.529 45.100 0.027 0.000 0.867 269 G HN 0.913 nan 8.290 nan 0.000 0.552 270 K N 0.895 121.324 120.400 0.049 0.000 2.120 270 K HA 0.390 4.710 4.320 0.001 0.000 0.245 270 K C -2.045 174.611 176.600 0.092 0.000 1.024 270 K CA -1.043 55.279 56.287 0.058 0.000 0.906 270 K CB 0.216 32.739 32.500 0.038 0.000 1.051 270 K HN 0.287 nan 8.250 nan 0.000 0.491 271 P HA -0.050 nan 4.420 nan 0.000 0.265 271 P C -0.969 176.507 177.300 0.292 0.000 1.187 271 P CA 0.496 63.709 63.100 0.190 0.000 0.766 271 P CB 0.503 32.321 31.700 0.198 0.000 0.820 272 K N 1.329 121.871 120.400 0.236 0.000 2.281 272 K HA 0.534 4.854 4.320 0.001 0.000 0.242 272 K C 0.400 176.949 176.600 -0.084 0.000 0.971 272 K CA -0.882 55.515 56.287 0.182 0.000 0.834 272 K CB 1.434 34.013 32.500 0.132 0.000 1.181 272 K HN 0.488 nan 8.250 nan 0.000 0.435 273 G N 0.878 109.430 108.800 -0.414 0.000 2.444 273 G HA2 0.298 4.259 3.960 0.001 0.000 0.303 273 G HA3 0.298 4.259 3.960 0.001 0.000 0.303 273 G C -0.109 174.649 174.900 -0.236 0.000 1.032 273 G CA -0.467 44.178 45.100 -0.758 0.000 1.137 273 G HN 0.212 nan 8.290 nan 0.000 0.430 274 V N 4.384 124.215 119.914 -0.138 0.000 2.446 274 V HA 0.117 4.238 4.120 0.001 0.000 0.276 274 V C 0.608 176.582 176.094 -0.198 0.000 1.030 274 V CA -0.237 62.016 62.300 -0.078 0.000 1.033 274 V CB 0.891 32.727 31.823 0.022 0.000 0.993 274 V HN 0.630 nan 8.190 nan 0.000 0.477 275 L N 6.065 127.107 121.223 -0.302 0.000 2.295 275 L HA 0.569 4.909 4.340 0.001 0.000 0.285 275 L C -0.290 176.197 176.870 -0.638 0.000 1.035 275 L CA -0.248 54.359 54.840 -0.389 0.000 0.806 275 L CB 0.731 42.651 42.059 -0.231 0.000 1.214 275 L HN 0.609 nan 8.230 nan 0.000 0.426 276 H N 2.684 121.342 119.070 -0.686 0.000 2.524 276 H HA 0.389 4.945 4.556 0.001 0.000 0.353 276 H C -0.234 174.774 175.328 -0.533 0.000 1.136 276 H CA -0.293 55.344 56.048 -0.686 0.000 1.193 276 H CB 2.008 31.063 29.762 -1.178 0.000 1.558 276 H HN 0.752 nan 8.280 nan 0.000 0.515 277 T N -0.811 113.647 114.554 -0.160 0.000 2.891 277 T HA 0.187 4.538 4.350 0.001 0.000 0.294 277 T C 1.116 175.802 174.700 -0.023 0.000 1.065 277 T CA -0.353 61.692 62.100 -0.091 0.000 0.936 277 T CB 0.592 69.445 68.868 -0.024 0.000 1.415 277 T HN 0.437 nan 8.240 nan 0.000 0.572 278 T N -0.383 114.187 114.554 0.026 0.000 2.988 278 T HA 0.254 4.604 4.350 0.001 0.000 0.240 278 T C 2.176 176.918 174.700 0.070 0.000 1.014 278 T CA 0.686 62.805 62.100 0.031 0.000 1.155 278 T CB -0.936 67.922 68.868 -0.017 0.000 0.872 278 T HN 0.736 nan 8.240 nan 0.000 0.440 279 G N 1.242 110.114 108.800 0.119 0.000 2.454 279 G HA2 0.059 4.020 3.960 0.001 0.000 0.214 279 G HA3 0.059 4.020 3.960 0.001 0.000 0.214 279 G C 1.762 176.804 174.900 0.237 0.000 1.217 279 G CA 0.921 46.113 45.100 0.154 0.000 0.799 279 G HN 0.523 nan 8.290 nan 0.000 0.538 280 G N 0.134 109.152 108.800 0.363 0.000 2.529 280 G HA2 -0.374 3.586 3.960 0.001 0.000 0.219 280 G HA3 -0.374 3.586 3.960 0.001 0.000 0.219 280 G C 1.663 176.600 174.900 0.062 0.000 1.177 280 G CA 1.494 46.708 45.100 0.190 0.000 0.773 280 G HN 0.455 nan 8.290 nan 0.000 0.573 281 Y N 0.810 121.107 120.300 -0.005 0.000 2.081 281 Y HA -0.157 4.394 4.550 0.001 0.000 0.280 281 Y C 2.539 178.435 175.900 -0.006 0.000 1.163 281 Y CA 2.026 60.114 58.100 -0.021 0.000 1.135 281 Y CB -0.574 37.848 38.460 -0.063 0.000 0.970 281 Y HN 0.150 nan 8.280 nan 0.000 0.498 282 L N -0.395 120.738 121.223 -0.151 0.000 2.046 282 L HA -0.141 4.200 4.340 0.001 0.000 0.208 282 L C 2.381 179.142 176.870 -0.181 0.000 1.077 282 L CA 1.593 56.277 54.840 -0.260 0.000 0.747 282 L CB -1.063 40.904 42.059 -0.153 0.000 0.896 282 L HN 0.230 nan 8.230 nan 0.000 0.432 283 V N -1.237 118.647 119.914 -0.049 0.000 2.295 283 V HA -0.357 3.764 4.120 0.001 0.000 0.246 283 V C 2.266 178.414 176.094 0.090 0.000 1.049 283 V CA 2.194 64.538 62.300 0.074 0.000 1.024 283 V CB -0.819 31.120 31.823 0.193 0.000 0.648 283 V HN 0.554 nan 8.190 nan 0.000 0.447 284 Y N 0.592 120.814 120.300 -0.130 0.000 2.200 284 Y HA -0.186 4.364 4.550 0.001 0.000 0.290 284 Y C 2.394 178.173 175.900 -0.200 0.000 1.137 284 Y CA 1.542 59.567 58.100 -0.125 0.000 1.163 284 Y CB -0.257 38.091 38.460 -0.188 0.000 0.988 284 Y HN 0.194 nan 8.280 nan 0.000 0.518 285 A N 0.133 122.733 122.820 -0.366 0.000 1.855 285 A HA -0.145 4.176 4.320 0.001 0.000 0.215 285 A C 2.375 179.787 177.584 -0.287 0.000 1.191 285 A CA 1.761 53.477 52.037 -0.535 0.000 0.613 285 A CB -1.490 17.032 19.000 -0.796 0.000 0.829 285 A HN 0.538 nan 8.150 nan 0.000 0.442 286 A N -0.882 121.831 122.820 -0.179 0.000 1.883 286 A HA -0.132 4.188 4.320 0.001 0.000 0.217 286 A C 2.335 179.937 177.584 0.029 0.000 1.186 286 A CA 2.515 54.525 52.037 -0.045 0.000 0.624 286 A CB -1.440 17.541 19.000 -0.031 0.000 0.822 286 A HN 0.446 nan 8.150 nan 0.000 0.444 287 T N 0.233 114.812 114.554 0.041 0.000 2.674 287 T HA -0.167 4.183 4.350 0.001 0.000 0.265 287 T C 2.205 176.983 174.700 0.131 0.000 1.039 287 T CA 2.463 64.666 62.100 0.173 0.000 1.150 287 T CB -0.846 68.306 68.868 0.475 0.000 0.864 287 T HN 0.832 nan 8.240 nan 0.000 0.427 288 T N 0.691 115.119 114.554 -0.210 0.000 2.821 288 T HA -0.091 4.260 4.350 0.001 0.000 0.267 288 T C 1.743 176.318 174.700 -0.207 0.000 1.046 288 T CA 0.933 62.716 62.100 -0.529 0.000 1.139 288 T CB -0.850 67.393 68.868 -1.042 0.000 0.871 288 T HN 0.305 nan 8.240 nan 0.000 0.454 289 F N 2.618 122.469 119.950 -0.165 0.000 2.046 289 F HA -0.024 4.503 4.527 0.001 0.000 0.297 289 F C 2.486 178.327 175.800 0.068 0.000 1.123 289 F CA 1.881 59.902 58.000 0.034 0.000 1.199 289 F CB -0.396 38.614 39.000 0.017 0.000 0.972 289 F HN 0.070 nan 8.300 nan 0.000 0.474 290 K N -1.007 119.344 120.400 -0.082 0.000 2.032 290 K HA -0.240 4.080 4.320 0.001 0.000 0.209 290 K C 2.147 178.637 176.600 -0.183 0.000 1.048 290 K CA 2.214 58.374 56.287 -0.212 0.000 0.927 290 K CB -0.538 31.755 32.500 -0.346 0.000 0.712 290 K HN 0.485 nan 8.250 nan 0.000 0.441 291 Y N -0.698 119.656 120.300 0.091 0.000 2.301 291 Y HA -0.079 4.471 4.550 0.001 0.000 0.295 291 Y C 2.140 178.053 175.900 0.023 0.000 1.119 291 Y CA 0.146 58.331 58.100 0.141 0.000 1.162 291 Y CB 0.369 39.034 38.460 0.343 0.000 1.046 291 Y HN -0.161 nan 8.280 nan 0.000 0.538 292 V N -0.780 119.153 119.914 0.032 0.000 2.626 292 V HA -0.257 3.864 4.120 0.001 0.000 0.252 292 V C 1.216 177.057 176.094 -0.421 0.000 1.067 292 V CA 1.690 63.826 62.300 -0.274 0.000 1.081 292 V CB -0.595 30.916 31.823 -0.520 0.000 0.686 292 V HN 0.354 nan 8.190 nan 0.000 0.468 293 F N -0.664 119.192 119.950 -0.157 0.000 2.727 293 F HA 0.244 4.771 4.527 0.001 0.000 0.302 293 F C 1.117 176.884 175.800 -0.055 0.000 1.097 293 F CA 0.221 58.121 58.000 -0.167 0.000 1.330 293 F CB 0.046 38.832 39.000 -0.358 0.000 1.084 293 F HN 0.171 nan 8.300 nan 0.000 0.578 294 D N 0.475 120.952 120.400 0.129 0.000 2.701 294 D HA -0.331 4.310 4.640 0.001 0.000 0.235 294 D C -0.163 176.267 176.300 0.216 0.000 1.155 294 D CA 0.291 54.404 54.000 0.189 0.000 0.649 294 D CB -1.448 39.477 40.800 0.209 0.000 1.050 294 D HN 0.403 nan 8.370 nan 0.000 0.425 295 Y N 1.006 121.301 120.300 -0.008 0.000 2.650 295 Y HA 0.244 4.795 4.550 0.001 0.000 0.331 295 Y C 0.300 176.231 175.900 0.052 0.000 1.165 295 Y CA 0.312 58.416 58.100 0.007 0.000 1.473 295 Y CB 0.268 38.653 38.460 -0.126 0.000 1.224 295 Y HN 0.162 nan 8.280 nan 0.000 0.533 296 H N 6.813 125.495 119.070 -0.647 0.000 2.499 296 H HA 0.375 4.931 4.556 0.001 0.000 0.340 296 H C -2.318 172.565 175.328 -0.740 0.000 1.148 296 H CA -2.258 53.517 56.048 -0.455 0.000 1.215 296 H CB 0.979 30.599 29.762 -0.238 0.000 1.529 296 H HN 0.494 nan 8.280 nan 0.000 0.510 297 P HA 0.047 nan 4.420 nan 0.000 0.265 297 P C 0.848 178.127 177.300 -0.035 0.000 1.193 297 P CA 1.321 64.426 63.100 0.009 0.000 0.765 297 P CB 0.656 32.413 31.700 0.094 0.000 0.823 298 G N 2.122 110.952 108.800 0.050 0.000 2.284 298 G HA2 -0.172 3.788 3.960 0.001 0.000 0.216 298 G HA3 -0.172 3.788 3.960 0.001 0.000 0.216 298 G C -0.252 174.683 174.900 0.058 0.000 1.009 298 G CA -0.410 44.724 45.100 0.057 0.000 0.625 298 G HN 0.517 nan 8.290 nan 0.000 0.501 299 D N 2.153 122.513 120.400 -0.066 0.000 2.417 299 D HA 0.360 5.000 4.640 0.001 0.000 0.250 299 D C 0.947 177.433 176.300 0.310 0.000 1.166 299 D CA 0.122 54.147 54.000 0.040 0.000 0.881 299 D CB 0.779 41.508 40.800 -0.118 0.000 1.164 299 D HN 0.217 nan 8.370 nan 0.000 0.467 300 I N 2.862 123.576 120.570 0.241 0.000 2.396 300 I HA 0.089 4.260 4.170 0.001 0.000 0.289 300 I C -0.009 176.308 176.117 0.334 0.000 1.056 300 I CA -0.487 60.968 61.300 0.259 0.000 1.365 300 I CB -0.419 37.675 38.000 0.158 0.000 1.407 300 I HN 0.319 nan 8.210 nan 0.000 0.509 301 Y N 7.296 127.745 120.300 0.249 0.000 2.393 301 Y HA 0.531 5.082 4.550 0.001 0.000 0.341 301 Y C -1.483 174.594 175.900 0.295 0.000 0.988 301 Y CA -0.860 57.394 58.100 0.257 0.000 1.078 301 Y CB 1.638 40.297 38.460 0.333 0.000 1.203 301 Y HN 0.600 nan 8.280 nan 0.000 0.453 302 W N 8.344 129.206 121.300 -0.729 0.000 2.687 302 W HA 0.511 5.172 4.660 0.001 0.000 0.328 302 W C -1.861 174.279 176.519 -0.632 0.000 1.012 302 W CA -1.749 55.275 57.345 -0.535 0.000 1.262 302 W CB 0.918 30.245 29.460 -0.223 0.000 1.331 302 W HN 0.867 nan 8.180 nan 0.000 0.433 303 C N 6.578 125.680 119.300 -0.330 0.000 2.307 303 C HA 0.503 4.963 4.460 0.001 0.000 0.340 303 C C 1.667 176.563 174.990 -0.157 0.000 1.275 303 C CA 0.446 59.373 59.018 -0.151 0.000 1.811 303 C CB 0.012 27.934 27.740 0.303 0.000 2.372 303 C HN 0.769 nan 8.230 nan 0.000 0.531 304 T N 2.827 117.161 114.554 -0.368 0.000 3.081 304 T HA 0.243 4.593 4.350 0.001 0.000 0.255 304 T C 0.815 175.561 174.700 0.077 0.000 1.113 304 T CA 0.584 62.577 62.100 -0.180 0.000 1.082 304 T CB -0.150 68.517 68.868 -0.334 0.000 0.939 304 T HN 1.099 nan 8.240 nan 0.000 0.506 305 A N 1.901 124.767 122.820 0.077 0.000 2.462 305 A HA 0.264 4.584 4.320 0.001 0.000 0.243 305 A C 0.416 178.167 177.584 0.278 0.000 1.076 305 A CA -0.439 51.711 52.037 0.188 0.000 0.773 305 A CB -0.101 19.020 19.000 0.202 0.000 1.010 305 A HN 0.488 nan 8.150 nan 0.000 0.493 306 D N 1.592 122.210 120.400 0.363 0.000 2.414 306 D HA -0.022 4.619 4.640 0.001 0.000 0.242 306 D C 1.320 177.737 176.300 0.195 0.000 1.129 306 D CA 0.134 54.304 54.000 0.283 0.000 0.885 306 D CB 1.265 42.281 40.800 0.359 0.000 1.198 306 D HN 0.267 nan 8.370 nan 0.000 0.437 307 V N 4.400 124.372 119.914 0.097 0.000 2.794 307 V HA -0.167 3.953 4.120 0.001 0.000 0.260 307 V C 1.964 178.089 176.094 0.053 0.000 1.103 307 V CA 2.461 64.781 62.300 0.034 0.000 1.125 307 V CB -0.390 31.380 31.823 -0.089 0.000 0.702 307 V HN 0.740 nan 8.190 nan 0.000 0.494 308 G N -1.367 107.394 108.800 -0.065 0.000 2.598 308 G HA2 -0.094 3.866 3.960 0.001 0.000 0.215 308 G HA3 -0.094 3.866 3.960 0.001 0.000 0.215 308 G C 0.268 174.906 174.900 -0.437 0.000 1.131 308 G CA -0.116 44.839 45.100 -0.242 0.000 0.785 308 G HN 0.628 nan 8.290 nan 0.000 0.539 309 W N -2.266 119.148 121.300 0.191 0.000 2.655 309 W HA 0.514 5.174 4.660 0.001 0.000 0.358 309 W C 1.080 177.598 176.519 -0.003 0.000 1.100 309 W CA -1.225 56.154 57.345 0.057 0.000 1.195 309 W CB 1.318 30.793 29.460 0.025 0.000 1.403 309 W HN -0.247 nan 8.180 nan 0.000 0.589 310 V N 1.185 121.216 119.914 0.195 0.000 2.392 310 V HA -0.288 3.832 4.120 0.001 0.000 0.249 310 V C 1.682 178.047 176.094 0.451 0.000 1.059 310 V CA 2.895 65.277 62.300 0.137 0.000 1.051 310 V CB -0.640 31.282 31.823 0.165 0.000 0.658 310 V HN 0.831 nan 8.190 nan 0.000 0.455 311 T N -0.042 114.807 114.554 0.491 0.000 2.803 311 T HA -0.106 4.244 4.350 0.001 0.000 0.269 311 T C 1.663 176.722 174.700 0.597 0.000 1.052 311 T CA 1.417 63.969 62.100 0.752 0.000 1.136 311 T CB -0.643 68.553 68.868 0.547 0.000 0.864 311 T HN 0.680 nan 8.240 nan 0.000 0.467 312 G N 0.638 109.707 108.800 0.450 0.000 2.394 312 G HA2 -0.187 3.773 3.960 0.001 0.000 0.215 312 G HA3 -0.187 3.773 3.960 0.001 0.000 0.215 312 G C 1.250 176.292 174.900 0.238 0.000 1.165 312 G CA 0.526 45.827 45.100 0.335 0.000 0.784 312 G HN 0.470 nan 8.290 nan 0.000 0.535 313 H N 1.005 120.088 119.070 0.022 0.000 2.270 313 H HA 0.026 4.583 4.556 0.001 0.000 0.299 313 H C 3.038 178.360 175.328 -0.010 0.000 1.077 313 H CA 1.589 57.556 56.048 -0.134 0.000 1.294 313 H CB -0.514 29.133 29.762 -0.192 0.000 1.371 313 H HN 0.283 nan 8.280 nan 0.000 0.491 314 S N -0.659 115.198 115.700 0.262 0.000 2.357 314 S HA -0.084 4.387 4.470 0.001 0.000 0.221 314 S C 1.355 175.645 174.600 -0.517 0.000 1.031 314 S CA 1.319 59.413 58.200 -0.177 0.000 0.982 314 S CB -0.100 62.778 63.200 -0.536 0.000 0.853 314 S HN 0.482 nan 8.310 nan 0.000 0.458 315 Y N -0.593 119.865 120.300 0.264 0.000 2.426 315 Y HA 0.405 4.956 4.550 0.001 0.000 0.249 315 Y C 1.614 177.759 175.900 0.407 0.000 1.103 315 Y CA -0.478 57.823 58.100 0.335 0.000 1.256 315 Y CB 0.107 38.947 38.460 0.634 0.000 1.208 315 Y HN 0.106 nan 8.280 nan 0.000 0.519 316 L N -0.611 120.852 121.223 0.400 0.000 2.072 316 L HA -0.041 4.300 4.340 0.001 0.000 0.205 316 L C 1.369 178.299 176.870 0.100 0.000 1.079 316 L CA 1.790 56.806 54.840 0.293 0.000 0.752 316 L CB -0.143 42.037 42.059 0.202 0.000 0.906 316 L HN 0.225 nan 8.230 nan 0.000 0.436 317 L N -3.514 117.669 121.223 -0.066 0.000 3.031 317 L HA 0.134 4.474 4.340 0.001 0.000 0.167 317 L C 1.945 178.688 176.870 -0.212 0.000 1.203 317 L CA 0.469 55.171 54.840 -0.231 0.000 0.857 317 L CB -0.683 41.089 42.059 -0.479 0.000 1.368 317 L HN -0.011 nan 8.230 nan 0.000 0.534 318 Y N 0.372 120.624 120.300 -0.080 0.000 2.114 318 Y HA -0.070 4.481 4.550 0.001 0.000 0.284 318 Y C 2.381 178.141 175.900 -0.234 0.000 1.143 318 Y CA 1.261 59.306 58.100 -0.090 0.000 1.135 318 Y CB -1.529 36.963 38.460 0.053 0.000 0.980 318 Y HN 0.248 nan 8.280 nan 0.000 0.499 319 G N 0.668 109.341 108.800 -0.212 0.000 2.545 319 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 319 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 319 G C -0.487 173.963 174.900 -0.750 0.000 1.218 319 G CA 1.332 46.193 45.100 -0.398 0.000 0.787 319 G HN 0.286 nan 8.290 nan 0.000 0.571 320 P HA -0.124 nan 4.420 nan 0.000 0.215 320 P C 2.168 179.107 177.300 -0.602 0.000 1.163 320 P CA 1.132 63.377 63.100 -1.425 0.000 0.894 320 P CB -0.291 30.827 31.700 -0.969 0.000 0.791 321 L N -1.031 120.017 121.223 -0.292 0.000 2.093 321 L HA -0.120 4.221 4.340 0.001 0.000 0.208 321 L C 2.689 179.579 176.870 0.034 0.000 1.085 321 L CA 1.451 56.269 54.840 -0.037 0.000 0.755 321 L CB -1.270 40.820 42.059 0.050 0.000 0.904 321 L HN -0.066 nan 8.230 nan 0.000 0.435 322 A N -1.023 121.798 122.820 0.001 0.000 1.986 322 A HA -0.240 4.080 4.320 0.001 0.000 0.220 322 A C 2.088 179.710 177.584 0.064 0.000 1.171 322 A CA 1.849 53.923 52.037 0.061 0.000 0.640 322 A CB -0.980 18.000 19.000 -0.032 0.000 0.811 322 A HN 0.582 nan 8.150 nan 0.000 0.451 323 C N -1.061 118.177 119.300 -0.104 0.000 2.693 323 C HA 0.475 4.936 4.460 0.001 0.000 0.286 323 C C 1.864 176.770 174.990 -0.139 0.000 1.277 323 C CA -0.019 58.958 59.018 -0.070 0.000 1.705 323 C CB -1.271 26.439 27.740 -0.049 0.000 1.879 323 C HN 1.059 nan 8.230 nan 0.000 0.607 324 G N 1.194 109.769 108.800 -0.375 0.000 2.179 324 G HA2 -0.109 3.851 3.960 0.001 0.000 0.257 324 G HA3 -0.109 3.851 3.960 0.001 0.000 0.257 324 G C 0.230 174.989 174.900 -0.236 0.000 1.010 324 G CA 0.401 45.089 45.100 -0.686 0.000 0.736 324 G HN 0.894 nan 8.290 nan 0.000 0.513 325 A N -0.682 121.991 122.820 -0.246 0.000 2.296 325 A HA 0.748 5.069 4.320 0.001 0.000 0.264 325 A C 0.723 178.367 177.584 0.100 0.000 1.097 325 A CA 0.809 52.719 52.037 -0.213 0.000 0.811 325 A CB 0.541 19.097 19.000 -0.741 0.000 1.072 325 A HN 0.744 nan 8.150 nan 0.000 0.495 326 T N 1.444 116.128 114.554 0.218 0.000 2.738 326 T HA 0.459 4.810 4.350 0.001 0.000 0.298 326 T C -0.003 174.810 174.700 0.189 0.000 0.962 326 T CA 0.134 62.339 62.100 0.174 0.000 0.972 326 T CB 0.575 69.560 68.868 0.195 0.000 0.928 326 T HN 0.684 nan 8.240 nan 0.000 0.474 327 T N 3.797 118.414 114.554 0.106 0.000 2.859 327 T HA 0.625 4.975 4.350 0.001 0.000 0.281 327 T C -0.543 174.203 174.700 0.077 0.000 1.005 327 T CA -0.728 61.495 62.100 0.205 0.000 1.025 327 T CB 0.568 69.539 68.868 0.172 0.000 0.977 327 T HN 0.464 nan 8.240 nan 0.000 0.458 328 L N 5.725 127.000 121.223 0.087 0.000 2.282 328 L HA 0.646 4.987 4.340 0.001 0.000 0.288 328 L C -0.302 176.562 176.870 -0.010 0.000 1.033 328 L CA -0.674 54.087 54.840 -0.131 0.000 0.807 328 L CB 1.091 42.885 42.059 -0.442 0.000 1.209 328 L HN 0.700 nan 8.230 nan 0.000 0.423 329 M N 5.679 125.263 119.600 -0.027 0.000 2.114 329 M HA 0.346 4.826 4.480 0.001 0.000 0.332 329 M C -1.742 174.630 176.300 0.120 0.000 1.014 329 M CA -0.621 54.764 55.300 0.142 0.000 0.956 329 M CB 1.101 33.815 32.600 0.191 0.000 1.551 329 M HN 0.548 nan 8.290 nan 0.000 0.427 330 F N 4.148 124.111 119.950 0.022 0.000 2.427 330 F HA 0.326 4.853 4.527 0.001 0.000 0.346 330 F C 0.892 176.710 175.800 0.031 0.000 1.120 330 F CA -0.617 57.336 58.000 -0.080 0.000 1.033 330 F CB 1.241 40.321 39.000 0.132 0.000 1.126 330 F HN 0.777 nan 8.300 nan 0.000 0.462 331 E N 3.054 122.974 120.200 -0.467 0.000 2.274 331 E HA 0.093 4.443 4.350 0.001 0.000 0.194 331 E C 0.873 177.085 176.600 -0.645 0.000 0.996 331 E CA 0.713 56.907 56.400 -0.344 0.000 0.840 331 E CB 0.104 29.724 29.700 -0.134 0.000 0.772 331 E HN 0.900 nan 8.360 nan 0.000 0.491 332 G N 0.151 108.035 108.800 -1.527 0.000 3.008 332 G HA2 0.441 4.402 3.960 0.001 0.000 0.181 332 G HA3 0.441 4.402 3.960 0.001 0.000 0.181 332 G C -0.513 174.033 174.900 -0.591 0.000 1.309 332 G CA 0.027 44.516 45.100 -1.019 0.000 1.009 332 G HN 0.148 nan 8.290 nan 0.000 0.584 333 V N -2.027 117.889 119.914 0.002 0.000 2.667 333 V HA 0.612 4.733 4.120 0.001 0.000 0.308 333 V C -1.726 174.721 176.094 0.588 0.000 1.048 333 V CA -1.927 60.552 62.300 0.298 0.000 0.928 333 V CB 2.163 34.094 31.823 0.181 0.000 1.004 333 V HN 0.489 nan 8.190 nan 0.000 0.444 334 P HA -0.104 nan 4.420 nan 0.000 0.226 334 P C 0.431 177.885 177.300 0.256 0.000 1.146 334 P CA 1.649 64.949 63.100 0.334 0.000 0.773 334 P CB -0.303 31.502 31.700 0.174 0.000 0.772 335 N N -3.383 115.482 118.700 0.274 0.000 2.451 335 N HA 0.157 4.897 4.740 0.001 0.000 0.271 335 N C -0.996 174.674 175.510 0.267 0.000 1.410 335 N CA -0.823 52.355 53.050 0.213 0.000 0.884 335 N CB -0.011 38.568 38.487 0.154 0.000 1.332 335 N HN -0.018 nan 8.380 nan 0.000 0.498 336 W N 2.099 123.478 121.300 0.131 0.000 2.839 336 W HA 0.476 5.136 4.660 0.001 0.000 0.334 336 W C -2.501 174.083 176.519 0.109 0.000 1.064 336 W CA -1.748 55.656 57.345 0.099 0.000 1.236 336 W CB 2.158 31.667 29.460 0.082 0.000 1.405 336 W HN -0.115 nan 8.180 nan 0.000 0.478 337 P HA 0.050 nan 4.420 nan 0.000 0.241 337 P C 0.078 177.049 177.300 -0.549 0.000 1.191 337 P CA 0.977 63.315 63.100 -1.269 0.000 0.771 337 P CB 0.426 31.390 31.700 -1.227 0.000 0.929 338 T N -6.272 108.147 114.554 -0.225 0.000 2.883 338 T HA 0.449 4.800 4.350 0.001 0.000 0.296 338 T C -2.526 172.175 174.700 0.001 0.000 1.117 338 T CA -2.324 59.716 62.100 -0.100 0.000 1.006 338 T CB 1.825 70.637 68.868 -0.094 0.000 1.191 338 T HN -0.396 nan 8.240 nan 0.000 0.508 339 P HA -0.012 nan 4.420 nan 0.000 0.218 339 P C 1.277 178.619 177.300 0.070 0.000 1.146 339 P CA 1.302 64.438 63.100 0.061 0.000 0.813 339 P CB -0.204 31.532 31.700 0.060 0.000 0.778 340 A N -1.104 121.739 122.820 0.039 0.000 2.208 340 A HA -0.031 4.290 4.320 0.001 0.000 0.209 340 A C 2.226 179.825 177.584 0.026 0.000 1.161 340 A CA 0.552 52.609 52.037 0.034 0.000 0.782 340 A CB -0.812 18.192 19.000 0.006 0.000 0.816 340 A HN -0.046 nan 8.150 nan 0.000 0.477 341 R N 0.293 120.814 120.500 0.035 0.000 2.094 341 R HA -0.175 4.166 4.340 0.001 0.000 0.239 341 R C 2.032 178.337 176.300 0.009 0.000 1.137 341 R CA 2.426 58.542 56.100 0.025 0.000 0.943 341 R CB -0.711 29.647 30.300 0.097 0.000 0.850 341 R HN 0.549 nan 8.270 nan 0.000 0.433 342 M N -0.529 119.114 119.600 0.071 0.000 2.088 342 M HA -0.291 4.190 4.480 0.001 0.000 0.256 342 M C 1.934 178.312 176.300 0.130 0.000 1.071 342 M CA 2.389 57.766 55.300 0.128 0.000 1.097 342 M CB -0.327 32.337 32.600 0.107 0.000 1.315 342 M HN 0.379 nan 8.290 nan 0.000 0.406 343 C N 0.240 119.582 119.300 0.070 0.000 2.432 343 C HA -0.091 4.370 4.460 0.001 0.000 0.280 343 C C 2.498 177.479 174.990 -0.014 0.000 1.353 343 C CA 0.754 59.794 59.018 0.036 0.000 1.766 343 C CB -1.234 26.513 27.740 0.012 0.000 1.924 343 C HN 0.642 nan 8.230 nan 0.000 0.509 344 Q N 0.260 120.035 119.800 -0.041 0.000 2.084 344 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 344 Q C 2.314 178.221 176.000 -0.154 0.000 0.978 344 Q CA 1.486 57.234 55.803 -0.091 0.000 0.844 344 Q CB -0.142 28.542 28.738 -0.090 0.000 0.898 344 Q HN 0.580 nan 8.270 nan 0.000 0.426 345 V N -0.106 119.695 119.914 -0.189 0.000 2.407 345 V HA -0.230 3.891 4.120 0.001 0.000 0.248 345 V C 2.145 178.107 176.094 -0.220 0.000 1.055 345 V CA 1.325 63.429 62.300 -0.327 0.000 1.049 345 V CB -0.432 30.997 31.823 -0.655 0.000 0.662 345 V HN 0.204 nan 8.190 nan 0.000 0.455 346 V N 0.276 120.161 119.914 -0.048 0.000 2.343 346 V HA -0.256 3.864 4.120 0.001 0.000 0.247 346 V C 2.288 178.362 176.094 -0.033 0.000 1.051 346 V CA 2.260 64.579 62.300 0.031 0.000 1.036 346 V CB -0.633 31.246 31.823 0.093 0.000 0.654 346 V HN 0.574 nan 8.190 nan 0.000 0.451 347 D N -0.212 120.144 120.400 -0.073 0.000 2.097 347 D HA -0.167 4.473 4.640 0.001 0.000 0.197 347 D C 2.139 178.361 176.300 -0.130 0.000 0.984 347 D CA 1.384 55.333 54.000 -0.085 0.000 0.826 347 D CB -0.279 40.468 40.800 -0.088 0.000 0.973 347 D HN 0.386 nan 8.370 nan 0.000 0.460 348 K N -0.090 120.170 120.400 -0.234 0.000 2.113 348 K HA -0.178 4.142 4.320 0.001 0.000 0.208 348 K C 1.278 177.635 176.600 -0.405 0.000 1.047 348 K CA 1.310 57.366 56.287 -0.385 0.000 0.928 348 K CB 0.106 32.248 32.500 -0.597 0.000 0.716 348 K HN 0.242 nan 8.250 nan 0.000 0.446 349 H N -0.622 118.391 119.070 -0.094 0.000 2.755 349 H HA 0.158 4.714 4.556 0.001 0.000 0.273 349 H C -0.045 175.266 175.328 -0.028 0.000 1.055 349 H CA 0.076 56.083 56.048 -0.069 0.000 1.191 349 H CB 1.046 30.709 29.762 -0.166 0.000 1.536 349 H HN 0.214 nan 8.280 nan 0.000 0.529 350 Q N 0.219 120.048 119.800 0.049 0.000 2.487 350 Q HA -0.133 4.208 4.340 0.001 0.000 0.279 350 Q C -0.082 175.957 176.000 0.064 0.000 1.228 350 Q CA 0.222 56.049 55.803 0.041 0.000 0.873 350 Q CB -2.330 26.434 28.738 0.043 0.000 1.260 350 Q HN 0.177 nan 8.270 nan 0.000 0.471 351 V N 0.994 120.953 119.914 0.075 0.000 2.644 351 V HA -0.168 3.953 4.120 0.001 0.000 0.305 351 V C 1.599 177.743 176.094 0.085 0.000 1.053 351 V CA 1.627 63.991 62.300 0.106 0.000 1.186 351 V CB 0.406 32.325 31.823 0.161 0.000 0.895 351 V HN 0.462 nan 8.190 nan 0.000 0.490 352 N N 3.428 122.190 118.700 0.104 0.000 2.407 352 N HA 0.339 5.080 4.740 0.001 0.000 0.182 352 N C -0.205 175.354 175.510 0.081 0.000 1.079 352 N CA 0.044 53.139 53.050 0.075 0.000 0.882 352 N CB 0.508 39.039 38.487 0.073 0.000 1.106 352 N HN 0.587 nan 8.380 nan 0.000 0.461 353 I N 1.482 122.126 120.570 0.123 0.000 2.447 353 I HA 0.304 4.474 4.170 0.001 0.000 0.287 353 I C -1.528 174.582 176.117 -0.012 0.000 1.023 353 I CA -0.854 60.506 61.300 0.100 0.000 1.083 353 I CB 2.175 40.312 38.000 0.229 0.000 1.245 353 I HN -0.077 nan 8.210 nan 0.000 0.434 354 L N 7.890 129.106 121.223 -0.013 0.000 2.325 354 L HA 0.515 4.855 4.340 0.001 0.000 0.281 354 L C -1.696 175.205 176.870 0.051 0.000 1.004 354 L CA -0.441 54.363 54.840 -0.059 0.000 0.823 354 L CB 1.159 43.200 42.059 -0.030 0.000 1.236 354 L HN 0.444 nan 8.230 nan 0.000 0.415 355 Y N 4.567 124.724 120.300 -0.238 0.000 2.376 355 Y HA 0.701 5.252 4.550 0.001 0.000 0.326 355 Y C -0.424 175.403 175.900 -0.123 0.000 0.970 355 Y CA -0.418 57.653 58.100 -0.048 0.000 1.248 355 Y CB 1.303 39.759 38.460 -0.007 0.000 1.117 355 Y HN 0.781 nan 8.280 nan 0.000 0.476 356 T N 3.326 117.788 114.554 -0.153 0.000 2.654 356 T HA 0.899 5.249 4.350 0.001 0.000 0.289 356 T C -1.564 172.971 174.700 -0.275 0.000 1.062 356 T CA -0.225 61.699 62.100 -0.292 0.000 1.041 356 T CB 1.111 69.809 68.868 -0.284 0.000 1.417 356 T HN 0.718 nan 8.240 nan 0.000 0.510 357 A N 1.422 124.091 122.820 -0.252 0.000 2.330 357 A HA 0.717 5.037 4.320 0.001 0.000 0.327 357 A C -2.107 175.349 177.584 -0.214 0.000 1.155 357 A CA -1.656 50.250 52.037 -0.219 0.000 0.803 357 A CB 1.076 19.951 19.000 -0.208 0.000 1.208 357 A HN 0.592 nan 8.150 nan 0.000 0.477 358 P HA -0.185 nan 4.420 nan 0.000 0.218 358 P C 1.539 178.760 177.300 -0.131 0.000 1.152 358 P CA 2.173 65.187 63.100 -0.144 0.000 0.857 358 P CB 0.182 31.840 31.700 -0.069 0.000 0.787 359 T N -1.041 113.433 114.554 -0.132 0.000 2.737 359 T HA -0.122 4.229 4.350 0.001 0.000 0.265 359 T C 1.856 176.497 174.700 -0.099 0.000 1.038 359 T CA 1.597 63.631 62.100 -0.111 0.000 1.144 359 T CB -0.893 67.891 68.868 -0.139 0.000 0.866 359 T HN 0.057 nan 8.240 nan 0.000 0.434 360 A N 1.113 123.867 122.820 -0.110 0.000 1.883 360 A HA -0.063 4.258 4.320 0.001 0.000 0.217 360 A C 2.260 179.789 177.584 -0.092 0.000 1.186 360 A CA 1.382 53.371 52.037 -0.080 0.000 0.624 360 A CB -0.836 18.114 19.000 -0.083 0.000 0.822 360 A HN 0.525 nan 8.150 nan 0.000 0.444 361 I N -0.753 119.728 120.570 -0.147 0.000 2.163 361 I HA -0.300 3.870 4.170 0.001 0.000 0.243 361 I C 2.764 178.761 176.117 -0.200 0.000 1.085 361 I CA 1.593 62.808 61.300 -0.142 0.000 1.347 361 I CB -0.331 37.516 38.000 -0.255 0.000 1.044 361 I HN 0.289 nan 8.210 nan 0.000 0.408 362 R N 0.639 121.033 120.500 -0.177 0.000 2.096 362 R HA -0.129 4.211 4.340 0.001 0.000 0.235 362 R C 2.411 178.591 176.300 -0.199 0.000 1.127 362 R CA 1.411 57.390 56.100 -0.200 0.000 0.968 362 R CB -0.502 29.731 30.300 -0.112 0.000 0.861 362 R HN 0.389 nan 8.270 nan 0.000 0.440 363 A N 1.375 124.120 122.820 -0.124 0.000 1.898 363 A HA -0.092 4.229 4.320 0.001 0.000 0.216 363 A C 2.192 179.718 177.584 -0.097 0.000 1.181 363 A CA 1.031 53.022 52.037 -0.077 0.000 0.620 363 A CB -0.435 18.552 19.000 -0.021 0.000 0.819 363 A HN 0.148 nan 8.150 nan 0.000 0.442 364 L N -1.359 119.798 121.223 -0.109 0.000 2.056 364 L HA -0.166 4.175 4.340 0.001 0.000 0.207 364 L C 2.792 179.456 176.870 -0.342 0.000 1.078 364 L CA 1.761 56.554 54.840 -0.078 0.000 0.749 364 L CB -0.594 41.530 42.059 0.108 0.000 0.901 364 L HN 0.549 nan 8.230 nan 0.000 0.433 365 M N 0.428 119.511 119.600 -0.862 0.000 2.106 365 M HA -0.229 4.252 4.480 0.001 0.000 0.259 365 M C 2.295 178.238 176.300 -0.595 0.000 1.068 365 M CA 2.099 56.570 55.300 -1.382 0.000 1.100 365 M CB -0.159 31.637 32.600 -1.340 0.000 1.351 365 M HN 0.245 nan 8.290 nan 0.000 0.404 366 A N -0.239 122.377 122.820 -0.340 0.000 2.070 366 A HA -0.131 4.189 4.320 0.001 0.000 0.220 366 A C 1.731 179.255 177.584 -0.099 0.000 1.159 366 A CA 1.591 53.524 52.037 -0.174 0.000 0.656 366 A CB -0.526 18.408 19.000 -0.110 0.000 0.800 366 A HN 0.609 nan 8.150 nan 0.000 0.453 367 E N -0.867 119.283 120.200 -0.084 0.000 2.474 367 E HA 0.266 4.616 4.350 0.001 0.000 0.195 367 E C 1.438 178.071 176.600 0.054 0.000 1.039 367 E CA 0.551 56.949 56.400 -0.003 0.000 0.881 367 E CB -0.355 29.358 29.700 0.022 0.000 0.970 367 E HN 0.605 nan 8.360 nan 0.000 0.486 368 G N 2.455 111.293 108.800 0.064 0.000 2.582 368 G HA2 -0.363 3.598 3.960 0.001 0.000 0.288 368 G HA3 -0.363 3.598 3.960 0.001 0.000 0.288 368 G C 0.558 175.652 174.900 0.325 0.000 1.247 368 G CA 0.390 45.620 45.100 0.216 0.000 0.972 368 G HN 0.234 nan 8.290 nan 0.000 0.557 369 D N 0.946 121.480 120.400 0.223 0.000 2.351 369 D HA -0.031 4.609 4.640 0.001 0.000 0.216 369 D C 2.372 178.740 176.300 0.114 0.000 0.968 369 D CA 1.044 55.135 54.000 0.153 0.000 0.899 369 D CB -0.058 40.792 40.800 0.084 0.000 0.907 369 D HN 0.385 nan 8.370 nan 0.000 0.514 370 K N 0.790 121.254 120.400 0.107 0.000 2.211 370 K HA -0.067 4.254 4.320 0.001 0.000 0.204 370 K C 1.923 178.576 176.600 0.088 0.000 1.047 370 K CA 0.681 57.011 56.287 0.073 0.000 0.935 370 K CB -0.232 32.301 32.500 0.055 0.000 0.728 370 K HN 0.100 nan 8.250 nan 0.000 0.452 371 A N 1.478 124.390 122.820 0.153 0.000 2.070 371 A HA -0.100 4.220 4.320 0.001 0.000 0.220 371 A C 1.984 179.641 177.584 0.121 0.000 1.159 371 A CA 1.333 53.481 52.037 0.184 0.000 0.656 371 A CB -0.500 18.729 19.000 0.381 0.000 0.800 371 A HN 0.480 nan 8.150 nan 0.000 0.453 372 I N -4.791 115.824 120.570 0.075 0.000 4.288 372 I HA 0.296 4.466 4.170 0.001 0.000 0.331 372 I C 0.539 176.650 176.117 -0.009 0.000 1.322 372 I CA -0.268 61.035 61.300 0.005 0.000 1.149 372 I CB 0.010 37.976 38.000 -0.056 0.000 1.112 372 I HN 0.076 nan 8.210 nan 0.000 0.403 373 E N 2.804 123.008 120.200 0.006 0.000 2.558 373 E HA 0.135 4.486 4.350 0.001 0.000 0.255 373 E C 1.228 177.817 176.600 -0.018 0.000 0.968 373 E CA 1.223 57.620 56.400 -0.006 0.000 0.939 373 E CB 0.234 29.936 29.700 0.003 0.000 0.921 373 E HN 0.613 nan 8.360 nan 0.000 0.477 374 G N 3.230 112.014 108.800 -0.026 0.000 2.162 374 G HA2 -0.282 3.679 3.960 0.001 0.000 0.260 374 G HA3 -0.282 3.679 3.960 0.001 0.000 0.260 374 G C 0.229 175.105 174.900 -0.040 0.000 0.976 374 G CA 0.657 45.737 45.100 -0.033 0.000 0.655 374 G HN 0.761 nan 8.290 nan 0.000 0.533 375 T N -3.385 111.144 114.554 -0.041 0.000 2.908 375 T HA 0.692 5.042 4.350 0.001 0.000 0.290 375 T C 0.456 175.122 174.700 -0.057 0.000 1.034 375 T CA 0.254 62.325 62.100 -0.048 0.000 1.010 375 T CB 2.752 71.594 68.868 -0.043 0.000 1.068 375 T HN -0.037 nan 8.240 nan 0.000 0.481 376 D N 0.593 120.957 120.400 -0.060 0.000 2.355 376 D HA 0.034 4.675 4.640 0.001 0.000 0.233 376 D C 1.004 177.257 176.300 -0.077 0.000 0.997 376 D CA 0.543 54.504 54.000 -0.065 0.000 0.920 376 D CB 0.157 40.922 40.800 -0.058 0.000 1.063 376 D HN 0.750 nan 8.370 nan 0.000 0.465 377 R N -0.930 119.528 120.500 -0.071 0.000 3.922 377 R HA -0.135 4.205 4.340 0.001 0.000 0.447 377 R C 1.533 177.779 176.300 -0.090 0.000 1.035 377 R CA 0.796 56.847 56.100 -0.082 0.000 1.289 377 R CB -2.023 28.209 30.300 -0.112 0.000 1.906 377 R HN 0.022 nan 8.270 nan 0.000 0.540 378 S N -0.109 115.544 115.700 -0.079 0.000 2.469 378 S HA -0.126 4.345 4.470 0.001 0.000 0.238 378 S C 1.710 176.271 174.600 -0.065 0.000 0.998 378 S CA 1.331 59.484 58.200 -0.078 0.000 0.957 378 S CB -0.022 63.139 63.200 -0.066 0.000 0.764 378 S HN 0.647 nan 8.310 nan 0.000 0.514 379 S N 1.053 116.723 115.700 -0.049 0.000 2.453 379 S HA 0.117 4.588 4.470 0.001 0.000 0.231 379 S C 0.658 175.239 174.600 -0.030 0.000 1.005 379 S CA 0.131 58.312 58.200 -0.030 0.000 0.949 379 S CB -0.561 62.633 63.200 -0.009 0.000 0.774 379 S HN 0.353 nan 8.310 nan 0.000 0.510 380 L N 1.624 122.819 121.223 -0.048 0.000 2.453 380 L HA 0.267 4.608 4.340 0.001 0.000 0.272 380 L C 1.748 178.576 176.870 -0.071 0.000 1.182 380 L CA -0.066 54.741 54.840 -0.055 0.000 0.858 380 L CB 0.426 42.427 42.059 -0.096 0.000 1.120 380 L HN 0.181 nan 8.230 nan 0.000 0.474 381 R N 2.519 122.991 120.500 -0.046 0.000 2.383 381 R HA 0.399 4.739 4.340 0.001 0.000 0.205 381 R C -0.421 175.860 176.300 -0.032 0.000 0.875 381 R CA 0.036 56.108 56.100 -0.046 0.000 1.039 381 R CB 1.042 31.324 30.300 -0.030 0.000 1.267 381 R HN 0.411 nan 8.270 nan 0.000 0.635 382 I N 1.942 122.509 120.570 -0.004 0.000 2.569 382 I HA 0.366 4.536 4.170 0.001 0.000 0.290 382 I C -0.753 175.376 176.117 0.020 0.000 1.088 382 I CA -0.627 60.695 61.300 0.036 0.000 1.047 382 I CB 2.201 40.283 38.000 0.136 0.000 1.237 382 I HN -0.016 nan 8.210 nan 0.000 0.421 383 L N 4.117 125.330 121.223 -0.017 0.000 2.333 383 L HA 0.897 5.238 4.340 0.001 0.000 0.269 383 L C 0.294 177.268 176.870 0.174 0.000 1.010 383 L CA -0.566 54.259 54.840 -0.025 0.000 0.818 383 L CB 2.447 44.256 42.059 -0.417 0.000 1.306 383 L HN 0.725 nan 8.230 nan 0.000 0.430 384 G N -0.117 108.908 108.800 0.375 0.000 2.563 384 G HA2 0.586 4.546 3.960 0.001 0.000 0.302 384 G HA3 0.586 4.546 3.960 0.001 0.000 0.302 384 G C -1.761 173.475 174.900 0.559 0.000 1.301 384 G CA -0.344 45.064 45.100 0.514 0.000 0.965 384 G HN 0.403 nan 8.290 nan 0.000 0.480 385 S N -0.812 115.144 115.700 0.427 0.000 2.536 385 S HA 0.774 5.244 4.470 0.001 0.000 0.287 385 S C -1.264 173.482 174.600 0.244 0.000 1.101 385 S CA -0.616 57.705 58.200 0.202 0.000 0.950 385 S CB 1.786 65.056 63.200 0.118 0.000 1.056 385 S HN 1.404 nan 8.310 nan 0.000 0.481 386 V N 3.674 123.629 119.914 0.068 0.000 3.048 386 V HA 0.769 4.890 4.120 0.001 0.000 0.303 386 V C 0.569 176.655 176.094 -0.013 0.000 1.214 386 V CA 0.716 63.083 62.300 0.112 0.000 0.984 386 V CB 1.394 33.294 31.823 0.127 0.000 1.054 386 V HN 1.622 nan 8.190 nan 0.000 0.430 387 G N 3.929 112.724 108.800 -0.008 0.000 2.218 387 G HA2 -0.083 3.877 3.960 0.001 0.000 0.216 387 G HA3 -0.083 3.877 3.960 0.001 0.000 0.216 387 G C -0.151 174.688 174.900 -0.101 0.000 0.994 387 G CA 0.671 45.696 45.100 -0.126 0.000 0.637 387 G HN 1.614 nan 8.290 nan 0.000 0.505 388 E N -0.947 119.243 120.200 -0.017 0.000 2.417 388 E HA 0.502 4.852 4.350 0.001 0.000 0.280 388 E C -3.375 173.270 176.600 0.074 0.000 1.112 388 E CA -1.968 54.440 56.400 0.013 0.000 0.863 388 E CB 0.466 30.138 29.700 -0.046 0.000 1.346 388 E HN 0.064 nan 8.360 nan 0.000 0.443 389 P HA 0.211 nan 4.420 nan 0.000 0.268 389 P C -0.823 176.542 177.300 0.108 0.000 1.205 389 P CA -0.125 63.048 63.100 0.122 0.000 0.771 389 P CB 0.499 32.269 31.700 0.117 0.000 0.858 390 I N 2.448 123.106 120.570 0.148 0.000 2.412 390 I HA 0.288 4.459 4.170 0.001 0.000 0.296 390 I C 0.114 176.348 176.117 0.196 0.000 0.987 390 I CA -0.964 60.435 61.300 0.165 0.000 1.180 390 I CB 1.097 39.234 38.000 0.229 0.000 1.340 390 I HN 0.309 nan 8.210 nan 0.000 0.455 391 N N 8.331 127.133 118.700 0.171 0.000 2.529 391 N HA 0.286 5.027 4.740 0.001 0.000 0.278 391 N C -2.231 173.413 175.510 0.222 0.000 1.146 391 N CA -1.758 51.391 53.050 0.165 0.000 0.980 391 N CB 1.582 40.134 38.487 0.108 0.000 1.124 391 N HN 0.297 nan 8.380 nan 0.000 0.458 392 P HA -0.165 nan 4.420 nan 0.000 0.216 392 P C 0.587 178.047 177.300 0.268 0.000 1.154 392 P CA 1.845 65.065 63.100 0.201 0.000 0.865 392 P CB 0.246 32.019 31.700 0.122 0.000 0.789 393 E N -0.770 119.552 120.200 0.205 0.000 2.106 393 E HA -0.116 4.235 4.350 0.001 0.000 0.192 393 E C 2.090 178.854 176.600 0.273 0.000 0.984 393 E CA 1.156 57.682 56.400 0.211 0.000 0.806 393 E CB -0.517 29.264 29.700 0.135 0.000 0.750 393 E HN 0.185 nan 8.360 nan 0.000 0.458 394 A N 0.553 123.516 122.820 0.239 0.000 1.929 394 A HA -0.150 4.170 4.320 0.001 0.000 0.216 394 A C 1.810 179.621 177.584 0.377 0.000 1.176 394 A CA 0.790 52.971 52.037 0.242 0.000 0.628 394 A CB -0.839 18.230 19.000 0.114 0.000 0.816 394 A HN 0.470 nan 8.150 nan 0.000 0.444 395 W N 1.016 122.438 121.300 0.205 0.000 2.333 395 W HA -0.176 4.485 4.660 0.001 0.000 0.316 395 W C 2.100 178.801 176.519 0.304 0.000 1.215 395 W CA 1.874 59.364 57.345 0.241 0.000 1.278 395 W CB 0.135 29.680 29.460 0.143 0.000 1.154 395 W HN 0.296 nan 8.180 nan 0.000 0.486 396 E N -0.686 119.931 120.200 0.695 0.000 2.085 396 E HA -0.278 4.073 4.350 0.001 0.000 0.194 396 E C 1.694 178.581 176.600 0.479 0.000 0.994 396 E CA 1.751 58.497 56.400 0.578 0.000 0.801 396 E CB -1.314 28.634 29.700 0.413 0.000 0.743 396 E HN 0.586 nan 8.360 nan 0.000 0.453 397 W N 0.511 121.965 121.300 0.257 0.000 2.358 397 W HA -0.276 4.385 4.660 0.001 0.000 0.303 397 W C 2.273 178.897 176.519 0.176 0.000 1.208 397 W CA 1.596 59.051 57.345 0.184 0.000 1.274 397 W CB -0.458 29.084 29.460 0.137 0.000 1.138 397 W HN 0.103 nan 8.180 nan 0.000 0.515 398 Y N -0.411 120.054 120.300 0.275 0.000 2.145 398 Y HA -0.264 4.287 4.550 0.001 0.000 0.286 398 Y C 2.150 177.938 175.900 -0.187 0.000 1.145 398 Y CA 2.123 60.240 58.100 0.028 0.000 1.148 398 Y CB -1.549 36.913 38.460 0.003 0.000 0.981 398 Y HN 0.175 nan 8.280 nan 0.000 0.507 399 W N 1.568 122.650 121.300 -0.363 0.000 2.363 399 W HA -0.185 4.476 4.660 0.001 0.000 0.296 399 W C 2.483 178.789 176.519 -0.356 0.000 1.212 399 W CA 2.812 59.832 57.345 -0.542 0.000 1.260 399 W CB -0.302 28.785 29.460 -0.622 0.000 1.131 399 W HN 0.063 nan 8.180 nan 0.000 0.530 400 K N -0.073 120.204 120.400 -0.205 0.000 2.063 400 K HA -0.093 4.227 4.320 0.001 0.000 0.204 400 K C 2.160 178.479 176.600 -0.469 0.000 1.039 400 K CA 0.970 57.046 56.287 -0.352 0.000 0.957 400 K CB -0.229 32.229 32.500 -0.070 0.000 0.764 400 K HN -0.140 nan 8.250 nan 0.000 0.447 401 K N 0.748 120.784 120.400 -0.606 0.000 2.076 401 K HA 0.003 4.324 4.320 0.001 0.000 0.204 401 K C 2.151 178.421 176.600 -0.550 0.000 1.051 401 K CA 0.813 56.674 56.287 -0.710 0.000 0.949 401 K CB 0.031 31.718 32.500 -1.355 0.000 0.726 401 K HN 0.253 nan 8.250 nan 0.000 0.443 402 I N -0.175 120.077 120.570 -0.529 0.000 2.400 402 I HA -0.030 4.140 4.170 0.001 0.000 0.248 402 I C 2.044 177.924 176.117 -0.394 0.000 1.109 402 I CA 1.185 62.266 61.300 -0.366 0.000 1.425 402 I CB -1.204 36.669 38.000 -0.213 0.000 1.094 402 I HN 0.084 nan 8.210 nan 0.000 0.425 403 G N 0.391 108.876 108.800 -0.524 0.000 3.189 403 G HA2 -0.010 3.950 3.960 0.001 0.000 0.225 403 G HA3 -0.010 3.950 3.960 0.001 0.000 0.225 403 G C 0.737 175.320 174.900 -0.528 0.000 1.159 403 G CA -0.235 44.552 45.100 -0.521 0.000 0.763 403 G HN 0.368 nan 8.290 nan 0.000 0.549 404 K N 0.429 120.529 120.400 -0.501 0.000 3.071 404 K HA -0.255 4.066 4.320 0.001 0.000 0.262 404 K C 0.606 176.871 176.600 -0.559 0.000 0.977 404 K CA 0.800 56.823 56.287 -0.439 0.000 0.721 404 K CB -1.365 30.956 32.500 -0.298 0.000 1.293 404 K HN 0.641 nan 8.250 nan 0.000 0.475 405 E N -2.513 117.104 120.200 -0.972 0.000 3.680 405 E HA -0.344 4.007 4.350 0.001 0.000 0.309 405 E C 0.559 176.686 176.600 -0.788 0.000 0.793 405 E CA 1.808 57.349 56.400 -1.433 0.000 1.083 405 E CB -0.704 28.489 29.700 -0.844 0.000 1.548 405 E HN 0.562 nan 8.360 nan 0.000 0.456 406 K N -0.392 119.686 120.400 -0.536 0.000 2.361 406 K HA 0.156 4.476 4.320 0.001 0.000 0.194 406 K C 0.051 176.543 176.600 -0.181 0.000 1.032 406 K CA 0.435 56.569 56.287 -0.256 0.000 1.048 406 K CB 0.730 33.111 32.500 -0.197 0.000 0.842 406 K HN 0.082 nan 8.250 nan 0.000 0.526 407 C N 2.195 121.325 119.300 -0.283 0.000 2.345 407 C HA 0.410 4.871 4.460 0.001 0.000 0.323 407 C C -2.470 172.530 174.990 0.016 0.000 1.276 407 C CA -2.200 56.733 59.018 -0.141 0.000 1.543 407 C CB 1.059 28.666 27.740 -0.222 0.000 2.211 407 C HN 0.157 nan 8.230 nan 0.000 0.493 408 P HA 0.153 nan 4.420 nan 0.000 0.268 408 P C -0.690 176.653 177.300 0.071 0.000 1.205 408 P CA 0.116 63.306 63.100 0.149 0.000 0.771 408 P CB 0.388 32.157 31.700 0.117 0.000 0.858 409 V N 4.411 124.383 119.914 0.098 0.000 2.370 409 V HA 0.227 4.348 4.120 0.001 0.000 0.279 409 V C 0.335 176.520 176.094 0.151 0.000 1.029 409 V CA -0.607 61.709 62.300 0.025 0.000 0.870 409 V CB 1.573 33.194 31.823 -0.337 0.000 0.984 409 V HN 0.378 nan 8.190 nan 0.000 0.451 410 V N 1.273 121.239 119.914 0.086 0.000 2.318 410 V HA 0.527 4.647 4.120 0.001 0.000 0.271 410 V C -0.258 175.845 176.094 0.016 0.000 1.030 410 V CA -0.529 61.757 62.300 -0.024 0.000 0.844 410 V CB 1.299 32.974 31.823 -0.246 0.000 1.015 410 V HN 0.788 nan 8.190 nan 0.000 0.460 411 D N 5.196 125.640 120.400 0.073 0.000 2.380 411 D HA 0.311 4.952 4.640 0.001 0.000 0.230 411 D C 0.401 176.707 176.300 0.010 0.000 1.154 411 D CA 0.068 54.141 54.000 0.121 0.000 0.859 411 D CB 1.324 42.242 40.800 0.197 0.000 1.045 411 D HN 0.890 nan 8.370 nan 0.000 0.495 412 T N 1.720 116.273 114.554 -0.000 0.000 2.770 412 T HA 0.344 4.695 4.350 0.001 0.000 0.297 412 T C -0.380 174.500 174.700 0.300 0.000 0.997 412 T CA -1.014 61.022 62.100 -0.106 0.000 0.949 412 T CB 0.267 68.708 68.868 -0.711 0.000 0.941 412 T HN 0.381 nan 8.240 nan 0.000 0.457 413 W N 8.099 129.497 121.300 0.164 0.000 2.351 413 W HA 0.643 5.303 4.660 0.001 0.000 0.311 413 W C -1.041 175.757 176.519 0.464 0.000 1.168 413 W CA -0.114 57.381 57.345 0.250 0.000 1.200 413 W CB 0.640 30.167 29.460 0.111 0.000 1.221 413 W HN 0.878 nan 8.180 nan 0.000 0.519 414 W N 4.501 125.189 121.300 -1.021 0.000 2.804 414 W HA 0.471 5.132 4.660 0.001 0.000 0.420 414 W C -1.984 174.117 176.519 -0.697 0.000 1.049 414 W CA -1.054 55.735 57.345 -0.927 0.000 1.133 414 W CB 0.037 29.407 29.460 -0.150 0.000 1.478 414 W HN 0.474 nan 8.180 nan 0.000 0.581 415 Q N -0.454 119.096 119.800 -0.418 0.000 2.534 415 Q HA 0.346 4.687 4.340 0.001 0.000 0.290 415 Q C 0.413 176.314 176.000 -0.165 0.000 0.991 415 Q CA -0.722 54.832 55.803 -0.414 0.000 0.783 415 Q CB 2.636 31.268 28.738 -0.177 0.000 1.470 415 Q HN 0.354 nan 8.270 nan 0.000 0.406 416 T N 0.496 114.976 114.554 -0.123 0.000 2.685 416 T HA -0.203 4.147 4.350 0.001 0.000 0.268 416 T C 0.928 175.821 174.700 0.322 0.000 1.034 416 T CA 2.216 64.388 62.100 0.119 0.000 1.149 416 T CB -0.088 68.857 68.868 0.129 0.000 0.860 416 T HN 0.518 nan 8.240 nan 0.000 0.449 417 E N 0.570 120.888 120.200 0.197 0.000 2.482 417 E HA -0.004 4.347 4.350 0.001 0.000 0.196 417 E C 2.184 178.935 176.600 0.252 0.000 1.047 417 E CA 0.915 57.398 56.400 0.139 0.000 0.869 417 E CB -0.082 29.590 29.700 -0.046 0.000 0.836 417 E HN 0.670 nan 8.360 nan 0.000 0.520 418 T N -4.425 110.382 114.554 0.420 0.000 3.023 418 T HA 0.332 4.683 4.350 0.001 0.000 0.253 418 T C 1.734 176.880 174.700 0.744 0.000 1.038 418 T CA 0.396 62.875 62.100 0.633 0.000 0.962 418 T CB 0.491 69.584 68.868 0.375 0.000 1.018 418 T HN 0.195 nan 8.240 nan 0.000 0.521 419 G N 0.760 110.003 108.800 0.738 0.000 2.674 419 G HA2 -0.027 3.933 3.960 0.001 0.000 0.236 419 G HA3 -0.027 3.933 3.960 0.001 0.000 0.236 419 G C 0.567 175.744 174.900 0.462 0.000 1.178 419 G CA 0.013 45.436 45.100 0.539 0.000 0.721 419 G HN 1.460 nan 8.290 nan 0.000 0.515 420 G N -1.638 107.422 108.800 0.433 0.000 2.663 420 G HA2 0.608 4.569 3.960 0.001 0.000 0.299 420 G HA3 0.608 4.569 3.960 0.001 0.000 0.299 420 G C -0.357 174.457 174.900 -0.144 0.000 1.372 420 G CA -0.650 44.346 45.100 -0.173 0.000 0.781 420 G HN 0.563 nan 8.290 nan 0.000 0.491 421 F N 0.751 120.356 119.950 -0.575 0.000 2.602 421 F HA 0.122 4.649 4.527 0.001 0.000 0.367 421 F C 1.672 177.401 175.800 -0.119 0.000 1.126 421 F CA -0.179 57.484 58.000 -0.562 0.000 1.321 421 F CB 0.686 39.240 39.000 -0.744 0.000 1.094 421 F HN 0.073 nan 8.300 nan 0.000 0.594 422 M N 2.573 122.323 119.600 0.250 0.000 2.724 422 M HA 0.330 4.810 4.480 0.001 0.000 0.231 422 M C -0.031 176.459 176.300 0.316 0.000 1.568 422 M CA 0.747 56.204 55.300 0.261 0.000 1.153 422 M CB 0.468 33.195 32.600 0.211 0.000 1.345 422 M HN 0.329 nan 8.290 nan 0.000 0.555 423 I N 0.285 121.071 120.570 0.361 0.000 2.478 423 I HA 0.469 4.639 4.170 0.001 0.000 0.287 423 I C -0.494 175.681 176.117 0.097 0.000 1.042 423 I CA -0.290 61.124 61.300 0.189 0.000 1.067 423 I CB 2.270 40.335 38.000 0.108 0.000 1.233 423 I HN 0.057 nan 8.210 nan 0.000 0.431 424 T N 6.330 120.857 114.554 -0.045 0.000 3.003 424 T HA 0.406 4.756 4.350 0.001 0.000 0.354 424 T C -2.979 171.585 174.700 -0.228 0.000 1.651 424 T CA -0.948 61.047 62.100 -0.174 0.000 1.103 424 T CB 2.080 70.748 68.868 -0.334 0.000 1.450 424 T HN 0.165 nan 8.240 nan 0.000 0.484 425 P HA 0.599 nan 4.420 nan 0.000 0.276 425 P C -1.176 175.979 177.300 -0.241 0.000 1.252 425 P CA -0.603 62.341 63.100 -0.261 0.000 0.802 425 P CB 0.481 32.080 31.700 -0.168 0.000 1.035 426 L N 2.783 123.865 121.223 -0.234 0.000 2.341 426 L HA 0.416 4.757 4.340 0.001 0.000 0.278 426 L C -1.624 175.199 176.870 -0.079 0.000 1.005 426 L CA -1.860 52.898 54.840 -0.137 0.000 0.818 426 L CB 1.392 43.387 42.059 -0.107 0.000 1.259 426 L HN 0.278 nan 8.230 nan 0.000 0.418 427 P HA -0.073 nan 4.420 nan 0.000 0.218 427 P C 1.009 178.333 177.300 0.039 0.000 1.148 427 P CA 0.920 64.032 63.100 0.020 0.000 0.822 427 P CB 0.372 32.102 31.700 0.050 0.000 0.784 428 G N -1.911 106.916 108.800 0.045 0.000 3.502 428 G HA2 0.367 4.328 3.960 0.001 0.000 0.267 428 G HA3 0.367 4.328 3.960 0.001 0.000 0.267 428 G C 0.921 175.847 174.900 0.044 0.000 1.090 428 G CA 0.578 45.713 45.100 0.059 0.000 0.795 428 G HN 0.325 nan 8.290 nan 0.000 0.535 429 A N -0.190 122.629 122.820 -0.003 0.000 2.140 429 A HA 0.587 4.908 4.320 0.001 0.000 0.199 429 A C 0.365 177.895 177.584 -0.090 0.000 1.416 429 A CA 0.169 52.190 52.037 -0.026 0.000 1.018 429 A CB 0.583 19.560 19.000 -0.038 0.000 1.117 429 A HN 0.207 nan 8.150 nan 0.000 0.480 430 I N 1.425 121.918 120.570 -0.128 0.000 2.436 430 I HA 0.256 4.426 4.170 0.001 0.000 0.289 430 I C -0.747 175.364 176.117 -0.010 0.000 1.010 430 I CA -0.505 60.711 61.300 -0.141 0.000 1.098 430 I CB 2.048 39.843 38.000 -0.341 0.000 1.266 430 I HN 0.184 nan 8.210 nan 0.000 0.434 431 E N 6.241 126.490 120.200 0.081 0.000 2.360 431 E HA 0.346 4.696 4.350 0.001 0.000 0.269 431 E C -0.981 175.722 176.600 0.171 0.000 1.022 431 E CA -0.368 56.106 56.400 0.124 0.000 0.887 431 E CB 1.176 30.938 29.700 0.103 0.000 0.990 431 E HN 0.386 nan 8.360 nan 0.000 0.426 432 L N 2.888 124.194 121.223 0.139 0.000 2.325 432 L HA 0.399 4.740 4.340 0.001 0.000 0.279 432 L C 0.219 177.073 176.870 -0.027 0.000 1.054 432 L CA -0.570 54.314 54.840 0.074 0.000 0.804 432 L CB 0.691 42.822 42.059 0.121 0.000 1.200 432 L HN 0.267 nan 8.230 nan 0.000 0.436 433 K N 2.023 122.322 120.400 -0.168 0.000 2.323 433 K HA 0.557 4.878 4.320 0.001 0.000 0.259 433 K C -0.539 175.648 176.600 -0.688 0.000 0.947 433 K CA -0.728 55.392 56.287 -0.278 0.000 0.819 433 K CB 2.146 34.577 32.500 -0.115 0.000 1.109 433 K HN 0.698 nan 8.250 nan 0.000 0.429 434 A N 1.777 124.083 122.820 -0.855 0.000 2.537 434 A HA 0.347 4.667 4.320 0.001 0.000 0.260 434 A C 1.225 178.451 177.584 -0.596 0.000 1.082 434 A CA 1.213 52.435 52.037 -1.359 0.000 0.765 434 A CB -0.887 17.705 19.000 -0.680 0.000 1.019 434 A HN 1.023 nan 8.150 nan 0.000 0.507 435 G N 1.282 109.689 108.800 -0.656 0.000 2.176 435 G HA2 -0.151 3.809 3.960 0.001 0.000 0.232 435 G HA3 -0.151 3.809 3.960 0.001 0.000 0.232 435 G C 0.505 175.230 174.900 -0.292 0.000 0.986 435 G CA 0.491 45.533 45.100 -0.098 0.000 0.643 435 G HN 1.822 nan 8.290 nan 0.000 0.522 436 S N 0.075 115.306 115.700 -0.781 0.000 2.489 436 S HA 0.734 5.205 4.470 0.001 0.000 0.291 436 S C 1.497 175.830 174.600 -0.445 0.000 1.151 436 S CA 0.618 58.194 58.200 -1.040 0.000 1.082 436 S CB 1.438 63.653 63.200 -1.642 0.000 1.019 436 S HN 1.541 nan 8.310 nan 0.000 0.492 437 A N 3.870 126.518 122.820 -0.287 0.000 2.067 437 A HA 0.216 4.537 4.320 0.001 0.000 0.219 437 A C 1.511 178.959 177.584 -0.227 0.000 1.158 437 A CA 1.799 53.757 52.037 -0.132 0.000 0.661 437 A CB -1.514 17.497 19.000 0.017 0.000 0.801 437 A HN 2.049 nan 8.150 nan 0.000 0.452 438 T N -2.952 111.385 114.554 -0.362 0.000 14.184 438 T HA -0.267 4.084 4.350 0.001 0.000 0.419 438 T C 0.243 174.704 174.700 -0.397 0.000 1.441 438 T CA 1.140 62.873 62.100 -0.612 0.000 2.331 438 T CB -1.067 67.347 68.868 -0.757 0.000 2.757 438 T HN 0.714 nan 8.240 nan 0.000 0.235 439 R N 2.750 122.997 120.500 -0.422 0.000 2.598 439 R HA 0.636 4.977 4.340 0.001 0.000 0.279 439 R C -2.366 173.874 176.300 -0.101 0.000 0.984 439 R CA -2.082 53.874 56.100 -0.240 0.000 0.999 439 R CB 1.296 31.381 30.300 -0.359 0.000 1.114 439 R HN 0.576 nan 8.270 nan 0.000 0.493 440 P HA -0.037 nan 4.420 nan 0.000 0.272 440 P C -0.683 176.736 177.300 0.198 0.000 1.223 440 P CA -0.021 63.129 63.100 0.082 0.000 0.784 440 P CB 0.462 32.246 31.700 0.140 0.000 0.923 441 F N 2.056 122.085 119.950 0.130 0.000 2.399 441 F HA 0.304 4.832 4.527 0.001 0.000 0.313 441 F C 0.464 176.466 175.800 0.337 0.000 1.202 441 F CA -0.424 57.632 58.000 0.094 0.000 1.192 441 F CB 0.109 39.158 39.000 0.081 0.000 1.256 441 F HN 0.173 nan 8.300 nan 0.000 0.558 442 F N 2.543 122.196 119.950 -0.495 0.000 2.604 442 F HA 0.199 4.727 4.527 0.001 0.000 0.393 442 F C 1.437 177.392 175.800 0.260 0.000 1.043 442 F CA 0.670 58.494 58.000 -0.293 0.000 1.227 442 F CB -0.420 38.203 39.000 -0.628 0.000 1.016 442 F HN 0.747 nan 8.300 nan 0.000 0.556 443 G N 2.005 110.938 108.800 0.222 0.000 2.176 443 G HA2 -0.250 3.711 3.960 0.001 0.000 0.253 443 G HA3 -0.250 3.711 3.960 0.001 0.000 0.253 443 G C -0.381 174.800 174.900 0.469 0.000 0.979 443 G CA -0.118 45.259 45.100 0.460 0.000 0.641 443 G HN 0.578 nan 8.290 nan 0.000 0.530 444 V N 0.942 121.104 119.914 0.414 0.000 2.394 444 V HA 0.548 4.668 4.120 0.001 0.000 0.282 444 V C 0.232 176.516 176.094 0.317 0.000 1.031 444 V CA -0.330 62.157 62.300 0.312 0.000 0.881 444 V CB 1.632 33.606 31.823 0.251 0.000 0.982 444 V HN 0.371 nan 8.190 nan 0.000 0.451 445 Q N 6.295 126.257 119.800 0.270 0.000 2.508 445 Q HA 0.347 4.688 4.340 0.001 0.000 0.247 445 Q C -2.577 173.549 176.000 0.211 0.000 1.047 445 Q CA -1.713 54.247 55.803 0.262 0.000 0.783 445 Q CB 2.035 30.916 28.738 0.239 0.000 1.172 445 Q HN 0.522 nan 8.270 nan 0.000 0.515 446 P HA 0.385 nan 4.420 nan 0.000 0.276 446 P C -1.060 176.317 177.300 0.128 0.000 1.244 446 P CA -0.232 62.889 63.100 0.035 0.000 0.801 446 P CB 1.309 32.817 31.700 -0.320 0.000 1.006 447 A N 1.635 124.530 122.820 0.125 0.000 2.594 447 A HA 0.682 5.002 4.320 0.001 0.000 0.295 447 A C -1.428 176.220 177.584 0.107 0.000 1.071 447 A CA -0.712 51.413 52.037 0.147 0.000 0.685 447 A CB 0.960 20.033 19.000 0.123 0.000 1.285 447 A HN 0.413 nan 8.150 nan 0.000 0.405 448 L N 1.509 122.790 121.223 0.096 0.000 2.329 448 L HA 0.786 5.127 4.340 0.001 0.000 0.279 448 L C -0.264 176.574 176.870 -0.054 0.000 1.014 448 L CA -1.084 53.778 54.840 0.036 0.000 0.814 448 L CB 1.712 43.814 42.059 0.073 0.000 1.257 448 L HN 0.741 nan 8.230 nan 0.000 0.424 449 V N -1.743 118.070 119.914 -0.169 0.000 3.040 449 V HA 0.615 4.736 4.120 0.001 0.000 0.312 449 V C -0.735 175.226 176.094 -0.223 0.000 1.115 449 V CA -0.923 61.219 62.300 -0.262 0.000 0.998 449 V CB 1.971 33.441 31.823 -0.589 0.000 1.042 449 V HN 0.782 nan 8.190 nan 0.000 0.433 450 D N 1.575 121.899 120.400 -0.126 0.000 2.403 450 D HA 0.179 4.819 4.640 0.001 0.000 0.278 450 D C 0.738 177.007 176.300 -0.052 0.000 1.230 450 D CA -0.246 53.726 54.000 -0.046 0.000 1.062 450 D CB 0.014 40.844 40.800 0.051 0.000 1.119 450 D HN 0.408 nan 8.370 nan 0.000 0.557 451 N N -0.801 117.923 118.700 0.040 0.000 2.396 451 N HA -0.086 4.655 4.740 0.001 0.000 0.180 451 N C 0.531 176.115 175.510 0.123 0.000 1.028 451 N CA 0.663 53.775 53.050 0.104 0.000 0.893 451 N CB -0.101 38.426 38.487 0.066 0.000 0.967 451 N HN 0.451 nan 8.380 nan 0.000 0.440 452 E N -0.824 119.379 120.200 0.004 0.000 2.444 452 E HA 0.288 4.639 4.350 0.001 0.000 0.191 452 E C 0.950 177.405 176.600 -0.241 0.000 1.041 452 E CA 0.058 56.383 56.400 -0.124 0.000 0.883 452 E CB 0.028 29.598 29.700 -0.216 0.000 1.024 452 E HN 0.271 nan 8.360 nan 0.000 0.470 453 G N 0.839 109.566 108.800 -0.122 0.000 2.157 453 G HA2 -0.323 3.638 3.960 0.001 0.000 0.248 453 G HA3 -0.323 3.638 3.960 0.001 0.000 0.248 453 G C -0.294 174.457 174.900 -0.248 0.000 0.979 453 G CA -0.093 44.872 45.100 -0.225 0.000 0.650 453 G HN 0.509 nan 8.290 nan 0.000 0.529 454 H N 1.697 120.723 119.070 -0.073 0.000 2.955 454 H HA 0.375 4.931 4.556 0.001 0.000 0.290 454 H C -2.072 173.208 175.328 -0.081 0.000 1.047 454 H CA -1.323 54.694 56.048 -0.051 0.000 1.484 454 H CB 0.685 30.432 29.762 -0.025 0.000 1.501 454 H HN 0.174 nan 8.280 nan 0.000 0.521 455 P HA -0.076 nan 4.420 nan 0.000 0.265 455 P C -0.533 176.785 177.300 0.029 0.000 1.193 455 P CA 0.169 63.279 63.100 0.017 0.000 0.765 455 P CB 0.651 32.374 31.700 0.038 0.000 0.823 456 Q N 2.443 122.252 119.800 0.014 0.000 2.293 456 Q HA 0.366 4.707 4.340 0.001 0.000 0.261 456 Q C -0.191 175.820 176.000 0.019 0.000 0.960 456 Q CA -0.285 55.526 55.803 0.014 0.000 0.882 456 Q CB 1.988 30.729 28.738 0.006 0.000 1.275 456 Q HN 0.480 nan 8.270 nan 0.000 0.445 457 E N 0.083 120.290 120.200 0.012 0.000 2.235 457 E HA 0.694 5.044 4.350 0.001 0.000 0.265 457 E C 0.145 176.745 176.600 -0.001 0.000 0.940 457 E CA -0.548 55.860 56.400 0.013 0.000 0.819 457 E CB 1.531 31.241 29.700 0.015 0.000 1.206 457 E HN 0.757 nan 8.360 nan 0.000 0.409 458 G N 1.018 109.816 108.800 -0.003 0.000 2.601 458 G HA2 -0.196 3.765 3.960 0.001 0.000 0.252 458 G HA3 -0.196 3.765 3.960 0.001 0.000 0.252 458 G C -0.174 174.706 174.900 -0.033 0.000 1.294 458 G CA -0.488 44.603 45.100 -0.016 0.000 0.912 458 G HN 0.820 nan 8.290 nan 0.000 0.574 459 A N -0.007 122.789 122.820 -0.039 0.000 2.473 459 A HA 0.645 4.966 4.320 0.001 0.000 0.282 459 A C 0.775 178.331 177.584 -0.046 0.000 1.163 459 A CA 2.036 54.042 52.037 -0.051 0.000 0.827 459 A CB -0.158 18.809 19.000 -0.054 0.000 1.098 459 A HN 2.165 nan 8.150 nan 0.000 0.515 460 T N 1.096 115.623 114.554 -0.046 0.000 2.645 460 T HA 0.606 4.956 4.350 0.001 0.000 0.300 460 T C -1.297 173.389 174.700 -0.023 0.000 1.210 460 T CA -0.076 62.005 62.100 -0.032 0.000 1.034 460 T CB 1.134 69.991 68.868 -0.018 0.000 1.537 460 T HN 0.865 nan 8.240 nan 0.000 0.492 461 E N -0.264 119.930 120.200 -0.008 0.000 2.392 461 E HA 0.762 5.113 4.350 0.001 0.000 0.269 461 E C -0.245 176.366 176.600 0.018 0.000 0.924 461 E CA -1.082 55.324 56.400 0.011 0.000 0.784 461 E CB 1.958 31.662 29.700 0.006 0.000 1.292 461 E HN 1.063 nan 8.360 nan 0.000 0.447 462 G N 0.656 109.476 108.800 0.033 0.000 2.323 462 G HA2 0.090 4.051 3.960 0.001 0.000 0.291 462 G HA3 0.090 4.051 3.960 0.001 0.000 0.291 462 G C -1.461 173.468 174.900 0.047 0.000 1.278 462 G CA -1.039 44.075 45.100 0.023 0.000 0.860 462 G HN 0.461 nan 8.290 nan 0.000 0.504 463 N N 0.497 119.211 118.700 0.025 0.000 2.475 463 N HA 0.255 4.995 4.740 0.001 0.000 0.267 463 N C -0.461 175.108 175.510 0.098 0.000 1.169 463 N CA -0.156 52.962 53.050 0.114 0.000 0.947 463 N CB 1.937 40.442 38.487 0.031 0.000 1.061 463 N HN 0.457 nan 8.380 nan 0.000 0.466 464 L N 4.322 125.669 121.223 0.207 0.000 2.278 464 L HA 0.300 4.640 4.340 0.001 0.000 0.287 464 L C -0.326 176.697 176.870 0.254 0.000 1.072 464 L CA -0.471 54.442 54.840 0.121 0.000 0.819 464 L CB 0.514 42.535 42.059 -0.062 0.000 1.176 464 L HN 0.319 nan 8.230 nan 0.000 0.435 465 V N 3.482 123.515 119.914 0.200 0.000 3.001 465 V HA 0.668 4.789 4.120 0.001 0.000 0.314 465 V C -0.403 175.881 176.094 0.317 0.000 1.099 465 V CA -0.903 61.581 62.300 0.307 0.000 0.989 465 V CB 2.186 34.150 31.823 0.235 0.000 1.040 465 V HN 0.535 nan 8.190 nan 0.000 0.434 466 I N 2.537 123.398 120.570 0.485 0.000 2.406 466 I HA 0.399 4.570 4.170 0.001 0.000 0.290 466 I C 1.152 177.649 176.117 0.634 0.000 0.999 466 I CA 0.051 61.641 61.300 0.484 0.000 1.124 466 I CB 1.774 40.038 38.000 0.440 0.000 1.289 466 I HN 1.004 nan 8.210 nan 0.000 0.441 467 T N -0.314 114.537 114.554 0.494 0.000 3.086 467 T HA 0.168 4.518 4.350 0.001 0.000 0.250 467 T C 0.294 175.228 174.700 0.390 0.000 1.074 467 T CA 0.124 62.499 62.100 0.458 0.000 0.988 467 T CB 0.250 69.289 68.868 0.285 0.000 0.988 467 T HN 0.547 nan 8.240 nan 0.000 0.530 468 D N -0.056 120.592 120.400 0.413 0.000 2.599 468 D HA 0.422 5.062 4.640 0.001 0.000 0.252 468 D C -0.970 175.574 176.300 0.407 0.000 1.232 468 D CA -0.488 53.552 54.000 0.066 0.000 0.819 468 D CB 2.237 43.085 40.800 0.079 0.000 1.401 468 D HN 0.032 nan 8.370 nan 0.000 0.429 469 S N 0.240 116.030 115.700 0.150 0.000 2.596 469 S HA 0.615 5.086 4.470 0.001 0.000 0.260 469 S C -0.886 174.145 174.600 0.718 0.000 1.336 469 S CA -0.167 58.313 58.200 0.466 0.000 0.993 469 S CB 0.205 63.570 63.200 0.274 0.000 0.923 469 S HN 0.366 nan 8.310 nan 0.000 0.567 470 W N 0.538 121.967 121.300 0.216 0.000 3.213 470 W HA 0.511 5.172 4.660 0.001 0.000 0.318 470 W C -2.954 172.872 176.519 -1.156 0.000 1.248 470 W CA -1.836 55.293 57.345 -0.360 0.000 1.187 470 W CB 0.024 29.312 29.460 -0.286 0.000 1.403 470 W HN 0.339 nan 8.180 nan 0.000 0.556 471 P HA -0.101 nan 4.420 nan 0.000 0.216 471 P C 1.572 178.253 177.300 -1.032 0.000 1.150 471 P CA 2.834 64.688 63.100 -2.077 0.000 0.843 471 P CB 0.054 30.866 31.700 -1.480 0.000 0.787 472 G N -1.136 107.139 108.800 -0.875 0.000 3.181 472 G HA2 -0.068 3.893 3.960 0.001 0.000 0.219 472 G HA3 -0.068 3.893 3.960 0.001 0.000 0.219 472 G C 0.400 175.200 174.900 -0.166 0.000 1.182 472 G CA -0.149 44.763 45.100 -0.313 0.000 0.791 472 G HN 0.280 nan 8.290 nan 0.000 0.537 473 Q N 0.845 120.223 119.800 -0.703 0.000 2.300 473 Q HA 0.451 4.791 4.340 0.001 0.000 0.280 473 Q C 0.615 176.501 176.000 -0.189 0.000 1.033 473 Q CA -0.512 54.901 55.803 -0.650 0.000 0.903 473 Q CB 0.653 28.720 28.738 -1.119 0.000 1.195 473 Q HN 0.259 nan 8.270 nan 0.000 0.386 474 A N 4.259 126.980 122.820 -0.165 0.000 2.540 474 A HA -0.013 4.308 4.320 0.001 0.000 0.239 474 A C 0.493 177.912 177.584 -0.275 0.000 1.061 474 A CA -0.065 51.654 52.037 -0.530 0.000 0.758 474 A CB 0.367 19.093 19.000 -0.456 0.000 0.991 474 A HN 0.870 nan 8.150 nan 0.000 0.502 475 R N 0.389 120.654 120.500 -0.392 0.000 2.254 475 R HA 0.144 4.484 4.340 0.001 0.000 0.195 475 R C 0.519 176.417 176.300 -0.670 0.000 0.957 475 R CA 1.117 57.029 56.100 -0.314 0.000 1.024 475 R CB -0.325 29.856 30.300 -0.199 0.000 0.952 475 R HN 0.840 nan 8.270 nan 0.000 0.484 476 T N -0.958 112.976 114.554 -1.034 0.000 2.652 476 T HA 0.349 4.700 4.350 0.001 0.000 0.303 476 T C -1.806 172.484 174.700 -0.683 0.000 1.738 476 T CA -0.675 60.639 62.100 -1.311 0.000 0.969 476 T CB 0.506 69.142 68.868 -0.386 0.000 1.778 476 T HN -0.074 nan 8.240 nan 0.000 0.494 477 L N 2.528 123.591 121.223 -0.266 0.000 2.307 477 L HA 0.566 4.907 4.340 0.001 0.000 0.282 477 L C -0.021 176.854 176.870 0.008 0.000 1.051 477 L CA -0.929 53.921 54.840 0.018 0.000 0.804 477 L CB 0.992 43.157 42.059 0.177 0.000 1.197 477 L HN 0.686 nan 8.230 nan 0.000 0.431 478 F N 2.809 122.693 119.950 -0.111 0.000 2.571 478 F HA 0.271 4.799 4.527 0.001 0.000 0.384 478 F C 1.263 177.047 175.800 -0.027 0.000 1.058 478 F CA 0.372 58.317 58.000 -0.091 0.000 1.200 478 F CB 0.329 39.262 39.000 -0.112 0.000 1.077 478 F HN 0.734 nan 8.300 nan 0.000 0.558 479 G N 4.141 112.461 108.800 -0.799 0.000 2.233 479 G HA2 -0.305 3.656 3.960 0.001 0.000 0.270 479 G HA3 -0.305 3.656 3.960 0.001 0.000 0.270 479 G C -0.205 174.542 174.900 -0.255 0.000 1.011 479 G CA 0.542 45.258 45.100 -0.640 0.000 0.762 479 G HN 0.950 nan 8.290 nan 0.000 0.511 480 D N -1.999 118.329 120.400 -0.119 0.000 2.826 480 D HA 0.214 4.854 4.640 0.001 0.000 0.239 480 D C 0.668 177.017 176.300 0.081 0.000 1.329 480 D CA -0.517 53.477 54.000 -0.010 0.000 0.854 480 D CB -0.228 40.572 40.800 -0.000 0.000 1.494 480 D HN 0.191 nan 8.370 nan 0.000 0.540 481 H N 1.195 120.268 119.070 0.005 0.000 2.457 481 H HA 0.065 4.621 4.556 0.001 0.000 0.294 481 H C 1.380 176.813 175.328 0.175 0.000 1.064 481 H CA 1.903 58.000 56.048 0.081 0.000 1.330 481 H CB 0.672 30.448 29.762 0.023 0.000 1.395 481 H HN 0.347 nan 8.280 nan 0.000 0.541 482 E N -0.776 119.489 120.200 0.108 0.000 2.072 482 E HA -0.184 4.166 4.350 0.001 0.000 0.191 482 E C 2.505 179.129 176.600 0.039 0.000 0.985 482 E CA 1.032 57.468 56.400 0.059 0.000 0.801 482 E CB 0.104 29.836 29.700 0.054 0.000 0.750 482 E HN 0.102 nan 8.360 nan 0.000 0.452 483 R N -0.217 120.316 120.500 0.055 0.000 2.092 483 R HA -0.117 4.223 4.340 0.001 0.000 0.231 483 R C 1.997 178.336 176.300 0.064 0.000 1.119 483 R CA 1.305 57.426 56.100 0.036 0.000 0.970 483 R CB -1.099 29.224 30.300 0.039 0.000 0.864 483 R HN 0.362 nan 8.270 nan 0.000 0.440 484 F N 1.728 121.662 119.950 -0.026 0.000 2.065 484 F HA -0.179 4.348 4.527 0.001 0.000 0.298 484 F C 2.176 178.061 175.800 0.142 0.000 1.112 484 F CA 2.368 60.415 58.000 0.079 0.000 1.212 484 F CB -0.459 38.542 39.000 0.001 0.000 0.975 484 F HN 0.292 nan 8.300 nan 0.000 0.476 485 E N -0.424 119.783 120.200 0.012 0.000 2.038 485 E HA -0.286 4.064 4.350 0.001 0.000 0.195 485 E C 2.269 178.877 176.600 0.013 0.000 1.000 485 E CA 1.257 57.666 56.400 0.016 0.000 0.803 485 E CB -0.483 29.210 29.700 -0.012 0.000 0.750 485 E HN 0.452 nan 8.360 nan 0.000 0.448 486 Q N 0.384 120.165 119.800 -0.033 0.000 2.077 486 Q HA -0.173 4.168 4.340 0.001 0.000 0.206 486 Q C 2.185 178.083 176.000 -0.171 0.000 0.989 486 Q CA 1.990 57.749 55.803 -0.073 0.000 0.853 486 Q CB -0.237 28.466 28.738 -0.058 0.000 0.907 486 Q HN 0.275 nan 8.270 nan 0.000 0.418 487 T N -0.667 113.708 114.554 -0.298 0.000 2.857 487 T HA -0.092 4.259 4.350 0.001 0.000 0.266 487 T C 0.998 175.275 174.700 -0.705 0.000 1.048 487 T CA 1.295 63.052 62.100 -0.572 0.000 1.139 487 T CB -0.159 68.187 68.868 -0.869 0.000 0.874 487 T HN 0.389 nan 8.240 nan 0.000 0.455 488 Y N -1.816 118.244 120.300 -0.400 0.000 2.430 488 Y HA 0.422 4.973 4.550 0.001 0.000 0.254 488 Y C 0.874 176.248 175.900 -0.876 0.000 1.088 488 Y CA -0.503 57.149 58.100 -0.746 0.000 1.267 488 Y CB 0.706 38.529 38.460 -1.062 0.000 1.204 488 Y HN 0.118 nan 8.280 nan 0.000 0.515 489 F N -1.481 118.394 119.950 -0.125 0.000 2.825 489 F HA 0.176 4.704 4.527 0.001 0.000 0.322 489 F C 1.621 177.387 175.800 -0.056 0.000 1.127 489 F CA -0.007 57.939 58.000 -0.091 0.000 1.164 489 F CB 0.794 39.709 39.000 -0.143 0.000 1.101 489 F HN -0.040 nan 8.300 nan 0.000 0.529 490 S N -2.188 113.525 115.700 0.023 0.000 2.524 490 S HA 0.011 4.481 4.470 0.001 0.000 0.222 490 S C 1.603 176.128 174.600 -0.125 0.000 1.040 490 S CA 0.597 58.785 58.200 -0.021 0.000 0.915 490 S CB -0.260 62.916 63.200 -0.040 0.000 0.831 490 S HN 0.090 nan 8.310 nan 0.000 0.492 491 T N 1.523 115.923 114.554 -0.256 0.000 2.812 491 T HA 0.252 4.603 4.350 0.001 0.000 0.264 491 T C -0.228 174.034 174.700 -0.729 0.000 1.042 491 T CA 0.905 62.637 62.100 -0.614 0.000 1.140 491 T CB -0.336 67.948 68.868 -0.974 0.000 0.870 491 T HN 0.496 nan 8.240 nan 0.000 0.445 492 F N 1.581 121.474 119.950 -0.095 0.000 2.500 492 F HA 0.342 4.870 4.527 0.001 0.000 0.349 492 F C 0.037 175.863 175.800 0.043 0.000 1.127 492 F CA -1.274 56.685 58.000 -0.067 0.000 0.998 492 F CB 1.164 40.093 39.000 -0.119 0.000 1.237 492 F HN -0.411 nan 8.300 nan 0.000 0.439 493 K N 2.405 122.929 120.400 0.206 0.000 2.451 493 K HA 0.043 4.364 4.320 0.001 0.000 0.280 493 K C 0.588 177.335 176.600 0.245 0.000 1.020 493 K CA 0.041 56.439 56.287 0.186 0.000 1.008 493 K CB 0.022 32.596 32.500 0.125 0.000 0.917 493 K HN 0.846 nan 8.250 nan 0.000 0.478 494 N N 0.069 118.947 118.700 0.298 0.000 2.901 494 N HA -0.173 4.568 4.740 0.001 0.000 0.248 494 N C -0.646 175.203 175.510 0.566 0.000 1.044 494 N CA 1.173 54.449 53.050 0.377 0.000 0.847 494 N CB -0.871 37.767 38.487 0.251 0.000 1.127 494 N HN 0.579 nan 8.380 nan 0.000 0.562 495 M N -0.168 119.775 119.600 0.571 0.000 2.484 495 M HA 0.235 4.715 4.480 0.001 0.000 0.289 495 M C -0.754 175.785 176.300 0.399 0.000 1.206 495 M CA -0.675 54.985 55.300 0.601 0.000 0.892 495 M CB 2.369 35.224 32.600 0.425 0.000 1.712 495 M HN 0.094 nan 8.290 nan 0.000 0.462 496 Y N 2.708 123.119 120.300 0.186 0.000 2.436 496 Y HA 0.396 4.946 4.550 0.001 0.000 0.343 496 Y C -1.383 174.593 175.900 0.128 0.000 1.008 496 Y CA -0.368 57.591 58.100 -0.234 0.000 1.241 496 Y CB 0.339 38.774 38.460 -0.042 0.000 1.153 496 Y HN 0.488 nan 8.280 nan 0.000 0.521 497 F N 6.176 125.703 119.950 -0.704 0.000 2.411 497 F HA 0.262 4.789 4.527 0.001 0.000 0.355 497 F C 1.115 176.557 175.800 -0.597 0.000 1.117 497 F CA -1.065 56.719 58.000 -0.359 0.000 1.139 497 F CB 1.119 40.059 39.000 -0.100 0.000 1.120 497 F HN 0.593 nan 8.300 nan 0.000 0.493 498 S N 3.352 118.813 115.700 -0.399 0.000 2.470 498 S HA 0.177 4.648 4.470 0.001 0.000 0.225 498 S C 1.630 175.930 174.600 -0.500 0.000 1.006 498 S CA 0.446 58.505 58.200 -0.235 0.000 0.934 498 S CB -0.608 62.822 63.200 0.383 0.000 0.778 498 S HN 1.744 nan 8.310 nan 0.000 0.517 499 G N 0.848 108.841 108.800 -1.345 0.000 2.162 499 G HA2 -0.190 3.770 3.960 0.001 0.000 0.260 499 G HA3 -0.190 3.770 3.960 0.001 0.000 0.260 499 G C -0.397 174.381 174.900 -0.205 0.000 0.976 499 G CA 0.327 44.882 45.100 -0.909 0.000 0.655 499 G HN 0.564 nan 8.290 nan 0.000 0.533 500 D N 0.063 120.454 120.400 -0.016 0.000 2.228 500 D HA 0.605 5.246 4.640 0.001 0.000 0.247 500 D C 0.675 177.069 176.300 0.157 0.000 0.995 500 D CA 0.664 54.734 54.000 0.117 0.000 0.903 500 D CB 1.513 42.411 40.800 0.164 0.000 1.205 500 D HN 0.375 nan 8.370 nan 0.000 0.459 501 G N -0.674 108.197 108.800 0.118 0.000 2.417 501 G HA2 0.679 4.639 3.960 0.001 0.000 0.334 501 G HA3 0.679 4.639 3.960 0.001 0.000 0.334 501 G C -1.183 173.751 174.900 0.056 0.000 1.150 501 G CA -0.449 44.716 45.100 0.108 0.000 0.923 501 G HN 0.521 nan 8.290 nan 0.000 0.485 502 A N 1.213 124.072 122.820 0.064 0.000 2.606 502 A HA 0.860 5.181 4.320 0.001 0.000 0.293 502 A C -0.396 177.252 177.584 0.107 0.000 1.082 502 A CA -0.880 51.208 52.037 0.084 0.000 0.685 502 A CB 1.613 20.655 19.000 0.070 0.000 1.284 502 A HN 1.168 nan 8.150 nan 0.000 0.408 503 R N 0.846 121.429 120.500 0.137 0.000 2.664 503 R HA 0.797 5.137 4.340 0.001 0.000 0.286 503 R C -0.649 175.717 176.300 0.109 0.000 0.967 503 R CA -0.683 55.470 56.100 0.087 0.000 0.933 503 R CB 1.645 31.949 30.300 0.006 0.000 1.146 503 R HN 0.707 nan 8.270 nan 0.000 0.468 504 R N 2.017 122.496 120.500 -0.035 0.000 2.387 504 R HA 0.159 4.500 4.340 0.001 0.000 0.314 504 R C -0.942 175.326 176.300 -0.053 0.000 0.958 504 R CA -0.616 55.370 56.100 -0.190 0.000 0.846 504 R CB 1.102 31.142 30.300 -0.434 0.000 1.147 504 R HN 0.906 nan 8.270 nan 0.000 0.447 505 D N 2.915 123.347 120.400 0.053 0.000 2.466 505 D HA 0.114 4.755 4.640 0.001 0.000 0.262 505 D C 1.089 177.380 176.300 -0.015 0.000 1.177 505 D CA -0.012 54.006 54.000 0.030 0.000 1.035 505 D CB 0.299 41.170 40.800 0.119 0.000 1.105 505 D HN 0.535 nan 8.370 nan 0.000 0.551 506 E N -0.417 119.760 120.200 -0.038 0.000 2.273 506 E HA -0.190 4.161 4.350 0.001 0.000 0.198 506 E C 1.091 177.669 176.600 -0.036 0.000 1.002 506 E CA 1.773 58.147 56.400 -0.044 0.000 0.828 506 E CB -0.827 28.838 29.700 -0.057 0.000 0.747 506 E HN 0.552 nan 8.360 nan 0.000 0.491 507 D N -1.389 118.984 120.400 -0.044 0.000 2.349 507 D HA 0.247 4.888 4.640 0.001 0.000 0.214 507 D C 1.250 177.627 176.300 0.128 0.000 1.063 507 D CA 0.794 54.782 54.000 -0.019 0.000 0.847 507 D CB 0.613 41.282 40.800 -0.218 0.000 0.933 507 D HN 0.589 nan 8.370 nan 0.000 0.513 508 G N 0.915 109.761 108.800 0.078 0.000 2.136 508 G HA2 -0.288 3.672 3.960 0.001 0.000 0.242 508 G HA3 -0.288 3.672 3.960 0.001 0.000 0.242 508 G C -0.169 174.747 174.900 0.027 0.000 0.989 508 G CA -0.307 44.804 45.100 0.018 0.000 0.682 508 G HN 0.215 nan 8.290 nan 0.000 0.522 509 Y N -0.115 120.097 120.300 -0.147 0.000 2.319 509 Y HA 0.595 5.145 4.550 0.001 0.000 0.328 509 Y C 0.745 176.513 175.900 -0.220 0.000 1.133 509 Y CA -1.297 56.714 58.100 -0.147 0.000 1.265 509 Y CB 0.483 38.864 38.460 -0.132 0.000 1.218 509 Y HN 0.196 nan 8.280 nan 0.000 0.508 510 Y N 1.213 121.465 120.300 -0.081 0.000 2.334 510 Y HA 0.291 4.842 4.550 0.001 0.000 0.328 510 Y C -0.959 174.795 175.900 -0.243 0.000 1.130 510 Y CA -0.736 57.326 58.100 -0.064 0.000 1.163 510 Y CB 0.867 39.250 38.460 -0.128 0.000 1.207 510 Y HN 0.514 nan 8.280 nan 0.000 0.471 511 W N 4.515 125.863 121.300 0.080 0.000 2.393 511 W HA 0.523 5.184 4.660 0.001 0.000 0.315 511 W C -1.363 175.162 176.519 0.010 0.000 1.009 511 W CA -0.735 56.632 57.345 0.035 0.000 1.313 511 W CB 0.623 30.087 29.460 0.007 0.000 1.269 511 W HN 0.231 nan 8.180 nan 0.000 0.420 512 I N 3.040 123.686 120.570 0.127 0.000 2.452 512 I HA 0.048 4.218 4.170 0.001 0.000 0.287 512 I C 1.669 177.856 176.117 0.115 0.000 1.079 512 I CA 0.575 61.897 61.300 0.035 0.000 1.387 512 I CB 1.025 38.979 38.000 -0.077 0.000 1.404 512 I HN 0.559 nan 8.210 nan 0.000 0.522 513 T N 1.659 116.270 114.554 0.095 0.000 3.057 513 T HA 0.531 4.882 4.350 0.001 0.000 0.254 513 T C 0.819 175.571 174.700 0.087 0.000 1.094 513 T CA 0.214 62.371 62.100 0.096 0.000 1.088 513 T CB -0.078 68.836 68.868 0.076 0.000 0.934 513 T HN 0.979 nan 8.240 nan 0.000 0.497 514 G N 1.198 110.052 108.800 0.091 0.000 2.371 514 G HA2 0.119 4.079 3.960 0.001 0.000 0.663 514 G HA3 0.119 4.079 3.960 0.001 0.000 0.663 514 G C -1.474 173.483 174.900 0.094 0.000 1.311 514 G CA -1.334 43.824 45.100 0.096 0.000 0.985 514 G HN 0.350 nan 8.290 nan 0.000 0.566 515 R N -0.126 120.423 120.500 0.081 0.000 2.570 515 R HA 0.277 4.618 4.340 0.001 0.000 0.277 515 R C 1.634 177.978 176.300 0.073 0.000 1.039 515 R CA 0.489 56.628 56.100 0.066 0.000 1.065 515 R CB 0.774 31.097 30.300 0.039 0.000 0.964 515 R HN 1.337 nan 8.270 nan 0.000 0.428 516 V N -1.752 118.218 119.914 0.094 0.000 3.621 516 V HA 0.049 4.170 4.120 0.001 0.000 0.285 516 V C 0.598 176.760 176.094 0.112 0.000 1.346 516 V CA 0.021 62.395 62.300 0.122 0.000 1.104 516 V CB -0.324 31.620 31.823 0.202 0.000 0.913 516 V HN 0.628 nan 8.190 nan 0.000 0.432 517 D N -0.099 120.343 120.400 0.069 0.000 2.530 517 D HA 0.165 4.805 4.640 0.001 0.000 0.282 517 D C -0.150 176.168 176.300 0.030 0.000 1.204 517 D CA -0.660 53.368 54.000 0.046 0.000 1.093 517 D CB 0.018 40.817 40.800 -0.002 0.000 1.154 517 D HN 0.072 nan 8.370 nan 0.000 0.593 518 D N -0.523 119.887 120.400 0.017 0.000 3.060 518 D HA 0.216 4.857 4.640 0.001 0.000 0.245 518 D C -0.592 175.720 176.300 0.021 0.000 1.274 518 D CA -0.076 53.937 54.000 0.022 0.000 0.864 518 D CB 0.165 40.977 40.800 0.020 0.000 1.073 518 D HN 0.013 nan 8.370 nan 0.000 0.473 519 V N 1.284 121.209 119.914 0.018 0.000 2.513 519 V HA 0.376 4.497 4.120 0.001 0.000 0.299 519 V C 0.248 176.353 176.094 0.018 0.000 1.035 519 V CA -0.756 61.553 62.300 0.016 0.000 0.889 519 V CB 2.550 34.375 31.823 0.004 0.000 0.988 519 V HN 0.073 nan 8.190 nan 0.000 0.440 520 L N 3.159 124.391 121.223 0.016 0.000 2.331 520 L HA 0.603 4.943 4.340 0.001 0.000 0.275 520 L C 0.449 177.312 176.870 -0.012 0.000 1.022 520 L CA -0.507 54.340 54.840 0.012 0.000 0.812 520 L CB 1.607 43.678 42.059 0.021 0.000 1.257 520 L HN 0.774 nan 8.230 nan 0.000 0.435 521 N N 1.893 120.581 118.700 -0.020 0.000 2.511 521 N HA 0.556 5.297 4.740 0.001 0.000 0.249 521 N C -0.913 174.560 175.510 -0.061 0.000 0.971 521 N CA -0.429 52.586 53.050 -0.058 0.000 0.938 521 N CB 1.566 40.020 38.487 -0.056 0.000 1.131 521 N HN 0.325 nan 8.380 nan 0.000 0.505 522 V N 1.383 121.251 119.914 -0.076 0.000 2.378 522 V HA 0.436 4.556 4.120 0.001 0.000 0.288 522 V C 0.790 176.810 176.094 -0.123 0.000 1.016 522 V CA -0.402 61.855 62.300 -0.071 0.000 0.840 522 V CB 0.708 32.513 31.823 -0.029 0.000 0.994 522 V HN 0.957 nan 8.190 nan 0.000 0.431 523 S N 3.725 119.330 115.700 -0.158 0.000 3.473 523 S HA -0.235 4.235 4.470 0.001 0.000 0.339 523 S C 1.457 175.772 174.600 -0.475 0.000 1.148 523 S CA 1.444 59.496 58.200 -0.248 0.000 0.969 523 S CB -1.352 61.739 63.200 -0.181 0.000 0.936 523 S HN 2.218 nan 8.310 nan 0.000 0.530 524 G N -0.510 108.065 108.800 -0.375 0.000 2.148 524 G HA2 -0.314 3.647 3.960 0.001 0.000 0.254 524 G HA3 -0.314 3.647 3.960 0.001 0.000 0.254 524 G C -0.296 174.236 174.900 -0.613 0.000 0.981 524 G CA 0.638 45.475 45.100 -0.438 0.000 0.670 524 G HN 0.864 nan 8.290 nan 0.000 0.528 525 H N -0.510 118.327 119.070 -0.389 0.000 2.473 525 H HA 0.577 5.134 4.556 0.001 0.000 0.327 525 H C 0.604 175.711 175.328 -0.368 0.000 1.105 525 H CA -0.567 55.140 56.048 -0.569 0.000 1.280 525 H CB 1.000 30.417 29.762 -0.574 0.000 1.450 525 H HN 0.298 nan 8.280 nan 0.000 0.492 526 R N 3.807 124.154 120.500 -0.256 0.000 2.221 526 R HA 0.405 4.745 4.340 0.001 0.000 0.327 526 R C -1.551 174.730 176.300 -0.031 0.000 1.033 526 R CA -0.397 55.629 56.100 -0.123 0.000 0.887 526 R CB 0.205 30.434 30.300 -0.119 0.000 1.057 526 R HN 0.589 nan 8.270 nan 0.000 0.455 527 L N 3.254 124.480 121.223 0.004 0.000 2.431 527 L HA 0.499 4.839 4.340 0.001 0.000 0.266 527 L C 0.231 177.130 176.870 0.048 0.000 0.978 527 L CA -1.055 53.816 54.840 0.051 0.000 0.822 527 L CB 2.376 44.467 42.059 0.054 0.000 1.310 527 L HN 0.835 nan 8.230 nan 0.000 0.409 528 G N -0.497 108.341 108.800 0.063 0.000 2.395 528 G HA2 0.374 4.335 3.960 0.001 0.000 0.283 528 G HA3 0.374 4.335 3.960 0.001 0.000 0.283 528 G C 0.980 175.911 174.900 0.053 0.000 1.178 528 G CA 0.299 45.429 45.100 0.050 0.000 0.837 528 G HN 0.750 nan 8.290 nan 0.000 0.518 529 T N -0.194 114.387 114.554 0.046 0.000 2.746 529 T HA -0.106 4.244 4.350 0.001 0.000 0.267 529 T C 2.551 177.283 174.700 0.053 0.000 1.039 529 T CA 1.721 63.852 62.100 0.052 0.000 1.142 529 T CB -0.300 68.600 68.868 0.053 0.000 0.866 529 T HN 0.658 nan 8.240 nan 0.000 0.444 530 A N 2.683 125.530 122.820 0.044 0.000 1.972 530 A HA -0.127 4.194 4.320 0.001 0.000 0.219 530 A C 2.352 179.968 177.584 0.052 0.000 1.169 530 A CA 1.741 53.803 52.037 0.043 0.000 0.635 530 A CB -0.709 18.309 19.000 0.030 0.000 0.810 530 A HN 0.890 nan 8.150 nan 0.000 0.446 531 E N -0.174 120.061 120.200 0.058 0.000 2.158 531 E HA -0.088 4.262 4.350 0.001 0.000 0.191 531 E C 1.813 178.459 176.600 0.076 0.000 0.982 531 E CA 1.014 57.453 56.400 0.066 0.000 0.823 531 E CB -0.439 29.303 29.700 0.071 0.000 0.766 531 E HN 0.618 nan 8.360 nan 0.000 0.468 532 I N 1.582 122.198 120.570 0.077 0.000 2.202 532 I HA -0.225 3.946 4.170 0.001 0.000 0.242 532 I C 2.384 178.552 176.117 0.085 0.000 1.091 532 I CA 1.434 62.782 61.300 0.081 0.000 1.368 532 I CB -0.301 37.740 38.000 0.069 0.000 1.058 532 I HN 0.120 nan 8.210 nan 0.000 0.410 533 E N 0.878 121.123 120.200 0.075 0.000 2.070 533 E HA -0.240 4.110 4.350 0.001 0.000 0.197 533 E C 2.308 178.960 176.600 0.086 0.000 1.004 533 E CA 2.121 58.565 56.400 0.074 0.000 0.805 533 E CB -0.130 29.607 29.700 0.061 0.000 0.744 533 E HN 0.554 nan 8.360 nan 0.000 0.451 534 S N 1.011 116.761 115.700 0.083 0.000 2.368 534 S HA -0.136 4.334 4.470 0.001 0.000 0.225 534 S C 2.267 176.951 174.600 0.139 0.000 1.030 534 S CA 0.893 59.149 58.200 0.093 0.000 0.999 534 S CB -0.351 62.892 63.200 0.071 0.000 0.844 534 S HN 0.324 nan 8.310 nan 0.000 0.459 535 A N 2.191 125.098 122.820 0.145 0.000 1.883 535 A HA 0.042 4.363 4.320 0.001 0.000 0.217 535 A C 2.328 180.125 177.584 0.355 0.000 1.186 535 A CA 1.572 53.735 52.037 0.210 0.000 0.624 535 A CB -0.957 18.128 19.000 0.143 0.000 0.822 535 A HN 0.513 nan 8.150 nan 0.000 0.444 536 L N -0.752 120.615 121.223 0.239 0.000 2.046 536 L HA -0.148 4.192 4.340 0.001 0.000 0.208 536 L C 2.448 179.413 176.870 0.157 0.000 1.077 536 L CA 1.072 56.033 54.840 0.203 0.000 0.747 536 L CB -0.363 41.753 42.059 0.095 0.000 0.896 536 L HN 0.251 nan 8.230 nan 0.000 0.432 537 V N -0.304 119.692 119.914 0.136 0.000 2.809 537 V HA -0.143 3.977 4.120 0.001 0.000 0.256 537 V C 2.444 178.594 176.094 0.093 0.000 1.080 537 V CA 1.351 63.703 62.300 0.087 0.000 1.102 537 V CB -0.428 31.435 31.823 0.067 0.000 0.705 537 V HN 0.450 nan 8.190 nan 0.000 0.475 538 A N -1.557 121.374 122.820 0.186 0.000 2.168 538 A HA -0.095 4.226 4.320 0.001 0.000 0.215 538 A C 1.312 178.963 177.584 0.112 0.000 1.152 538 A CA 0.272 52.441 52.037 0.219 0.000 0.716 538 A CB -0.627 18.577 19.000 0.339 0.000 0.794 538 A HN 0.620 nan 8.150 nan 0.000 0.465 539 H N 0.586 119.491 119.070 -0.275 0.000 2.848 539 H HA 0.115 4.671 4.556 0.001 0.000 0.341 539 H C -1.822 173.203 175.328 -0.506 0.000 1.060 539 H CA -1.361 54.081 56.048 -1.010 0.000 1.444 539 H CB 1.142 30.198 29.762 -1.177 0.000 1.446 539 H HN 0.021 nan 8.280 nan 0.000 0.583 540 P HA -0.113 nan 4.420 nan 0.000 0.218 540 P C 0.752 177.981 177.300 -0.119 0.000 1.148 540 P CA 1.611 64.504 63.100 -0.345 0.000 0.822 540 P CB 0.278 31.745 31.700 -0.389 0.000 0.784 541 K N -1.296 119.162 120.400 0.097 0.000 2.404 541 K HA 0.153 4.473 4.320 0.001 0.000 0.194 541 K C 0.542 177.166 176.600 0.040 0.000 1.023 541 K CA 0.111 56.452 56.287 0.089 0.000 1.094 541 K CB 0.138 32.709 32.500 0.119 0.000 0.841 541 K HN 0.236 nan 8.250 nan 0.000 0.523 542 I N 0.515 121.118 120.570 0.055 0.000 2.336 542 I HA 0.091 4.261 4.170 0.001 0.000 0.292 542 I C 0.945 177.062 176.117 0.000 0.000 0.991 542 I CA -0.328 60.982 61.300 0.016 0.000 1.227 542 I CB 1.843 39.845 38.000 0.003 0.000 1.366 542 I HN -0.034 nan 8.210 nan 0.000 0.466 543 A N 5.806 128.622 122.820 -0.005 0.000 1.871 543 A HA 0.129 4.450 4.320 0.001 0.000 0.211 543 A C 0.544 178.126 177.584 -0.002 0.000 1.207 543 A CA 0.798 52.818 52.037 -0.029 0.000 0.620 543 A CB 0.083 19.046 19.000 -0.061 0.000 0.860 543 A HN 0.779 nan 8.150 nan 0.000 0.450 544 E N -2.344 117.869 120.200 0.022 0.000 2.412 544 E HA 0.688 5.038 4.350 0.001 0.000 0.279 544 E C -1.126 175.504 176.600 0.050 0.000 0.984 544 E CA -0.766 55.653 56.400 0.031 0.000 0.788 544 E CB 1.470 31.183 29.700 0.022 0.000 1.277 544 E HN 0.545 nan 8.360 nan 0.000 0.455 545 A N 0.540 123.390 122.820 0.050 0.000 2.549 545 A HA 0.847 5.168 4.320 0.001 0.000 0.297 545 A C -1.557 176.068 177.584 0.068 0.000 1.061 545 A CA -0.234 51.842 52.037 0.064 0.000 0.690 545 A CB 1.968 21.001 19.000 0.055 0.000 1.287 545 A HN 0.898 nan 8.150 nan 0.000 0.402 546 A N 0.942 123.827 122.820 0.108 0.000 2.374 546 A HA 0.734 5.055 4.320 0.001 0.000 0.305 546 A C -1.126 176.586 177.584 0.214 0.000 1.053 546 A CA -0.479 51.629 52.037 0.118 0.000 0.726 546 A CB 1.426 20.454 19.000 0.047 0.000 1.229 546 A HN 1.390 nan 8.150 nan 0.000 0.431 547 V N 2.810 122.818 119.914 0.158 0.000 2.495 547 V HA 0.706 4.826 4.120 0.001 0.000 0.298 547 V C 0.063 176.255 176.094 0.162 0.000 1.031 547 V CA -0.297 62.099 62.300 0.159 0.000 0.871 547 V CB 1.415 33.294 31.823 0.095 0.000 0.988 547 V HN 1.290 nan 8.190 nan 0.000 0.432 548 V N 1.815 121.847 119.914 0.195 0.000 3.160 548 V HA 1.033 5.154 4.120 0.001 0.000 0.310 548 V C 0.150 176.312 176.094 0.114 0.000 1.181 548 V CA -0.516 61.867 62.300 0.139 0.000 1.047 548 V CB 1.947 33.851 31.823 0.135 0.000 1.068 548 V HN 0.933 nan 8.190 nan 0.000 0.441 549 G N 1.138 109.981 108.800 0.072 0.000 2.377 549 G HA2 0.695 4.656 3.960 0.001 0.000 0.299 549 G HA3 0.695 4.656 3.960 0.001 0.000 0.299 549 G C -0.636 174.287 174.900 0.037 0.000 1.150 549 G CA -0.417 44.719 45.100 0.059 0.000 0.847 549 G HN 1.526 nan 8.290 nan 0.000 0.501 550 I N -0.325 120.275 120.570 0.050 0.000 2.689 550 I HA 0.633 4.803 4.170 0.001 0.000 0.299 550 I C -2.520 173.633 176.117 0.061 0.000 1.059 550 I CA -3.218 58.099 61.300 0.030 0.000 1.055 550 I CB 2.731 40.739 38.000 0.014 0.000 1.243 550 I HN 0.223 nan 8.210 nan 0.000 0.425 551 P HA 0.045 nan 4.420 nan 0.000 0.266 551 P C -1.357 176.000 177.300 0.094 0.000 1.195 551 P CA 0.579 63.712 63.100 0.056 0.000 0.768 551 P CB 0.241 31.955 31.700 0.023 0.000 0.838 552 H N 1.161 120.234 119.070 0.004 0.000 2.667 552 H HA 0.523 5.080 4.556 0.001 0.000 0.353 552 H C 0.875 176.198 175.328 -0.009 0.000 1.072 552 H CA -0.535 55.514 56.048 0.002 0.000 1.214 552 H CB 1.828 31.593 29.762 0.004 0.000 1.600 552 H HN 0.321 nan 8.280 nan 0.000 0.527 553 A N 4.746 127.419 122.820 -0.246 0.000 2.019 553 A HA -0.087 4.233 4.320 0.001 0.000 0.219 553 A C 1.212 178.802 177.584 0.011 0.000 1.164 553 A CA 1.454 53.427 52.037 -0.107 0.000 0.644 553 A CB -0.264 18.639 19.000 -0.162 0.000 0.805 553 A HN 0.620 nan 8.150 nan 0.000 0.449 554 I N -1.279 119.407 120.570 0.194 0.000 3.132 554 I HA 0.040 4.211 4.170 0.001 0.000 0.255 554 I C 1.781 177.979 176.117 0.134 0.000 1.118 554 I CA 0.967 62.362 61.300 0.159 0.000 1.463 554 I CB -1.391 36.712 38.000 0.171 0.000 1.356 554 I HN 0.189 nan 8.210 nan 0.000 0.463 555 K N 0.918 121.440 120.400 0.202 0.000 2.439 555 K HA 0.125 4.446 4.320 0.001 0.000 0.197 555 K C 1.486 178.080 176.600 -0.010 0.000 1.041 555 K CA 0.761 57.024 56.287 -0.040 0.000 0.970 555 K CB 0.172 32.502 32.500 -0.284 0.000 0.773 555 K HN 0.514 nan 8.250 nan 0.000 0.479 556 G N 1.034 109.874 108.800 0.067 0.000 4.526 556 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 556 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 556 G C -0.087 174.852 174.900 0.065 0.000 1.428 556 G CA -0.078 45.047 45.100 0.043 0.000 0.928 556 G HN 0.350 nan 8.290 nan 0.000 0.639 557 Q N 0.440 120.263 119.800 0.040 0.000 2.413 557 Q HA 0.720 5.060 4.340 0.001 0.000 0.276 557 Q C -0.334 175.685 176.000 0.032 0.000 1.099 557 Q CA -0.258 55.577 55.803 0.053 0.000 0.814 557 Q CB 2.404 31.160 28.738 0.030 0.000 1.379 557 Q HN 1.078 nan 8.270 nan 0.000 0.436 558 A N 1.569 124.429 122.820 0.067 0.000 2.354 558 A HA 0.720 5.041 4.320 0.001 0.000 0.321 558 A C -0.729 176.892 177.584 0.061 0.000 1.125 558 A CA -0.734 51.323 52.037 0.032 0.000 0.799 558 A CB 0.773 19.831 19.000 0.096 0.000 1.293 558 A HN 0.700 nan 8.150 nan 0.000 0.452 559 I N 1.378 121.971 120.570 0.038 0.000 2.352 559 I HA 0.206 4.377 4.170 0.001 0.000 0.290 559 I C -1.024 175.133 176.117 0.065 0.000 1.036 559 I CA 0.014 61.344 61.300 0.051 0.000 1.336 559 I CB 0.549 38.560 38.000 0.017 0.000 1.407 559 I HN 0.625 nan 8.210 nan 0.000 0.497 560 Y N 6.935 127.205 120.300 -0.048 0.000 2.338 560 Y HA 0.692 5.242 4.550 0.001 0.000 0.328 560 Y C -0.499 175.318 175.900 -0.137 0.000 0.965 560 Y CA -0.957 57.078 58.100 -0.109 0.000 1.208 560 Y CB 1.309 39.710 38.460 -0.099 0.000 1.132 560 Y HN 0.585 nan 8.280 nan 0.000 0.469 561 A N 6.105 128.778 122.820 -0.245 0.000 2.287 561 A HA 0.571 4.891 4.320 0.001 0.000 0.317 561 A C -1.927 175.493 177.584 -0.273 0.000 1.220 561 A CA -0.518 51.431 52.037 -0.146 0.000 0.835 561 A CB 0.115 19.027 19.000 -0.147 0.000 1.180 561 A HN 0.731 nan 8.150 nan 0.000 0.500 562 Y N 1.743 122.009 120.300 -0.057 0.000 2.365 562 Y HA 0.430 4.981 4.550 0.001 0.000 0.340 562 Y C 0.238 176.089 175.900 -0.082 0.000 1.016 562 Y CA -0.050 57.985 58.100 -0.109 0.000 1.196 562 Y CB 1.297 39.685 38.460 -0.120 0.000 1.167 562 Y HN 0.367 nan 8.280 nan 0.000 0.509 563 V N 3.347 123.298 119.914 0.062 0.000 2.540 563 V HA 0.389 4.509 4.120 0.001 0.000 0.302 563 V C -0.232 176.002 176.094 0.234 0.000 1.035 563 V CA -0.868 61.496 62.300 0.107 0.000 0.873 563 V CB 2.028 33.876 31.823 0.040 0.000 0.992 563 V HN 0.746 nan 8.190 nan 0.000 0.428 564 T N 6.290 120.946 114.554 0.169 0.000 2.758 564 T HA 0.595 4.945 4.350 0.001 0.000 0.285 564 T C -0.045 174.727 174.700 0.120 0.000 0.981 564 T CA -0.265 61.927 62.100 0.154 0.000 0.965 564 T CB 0.742 69.668 68.868 0.097 0.000 0.927 564 T HN 0.340 nan 8.240 nan 0.000 0.448 565 L N 3.047 124.336 121.223 0.110 0.000 2.466 565 L HA 0.346 4.686 4.340 0.001 0.000 0.257 565 L C 0.993 177.864 176.870 0.002 0.000 1.189 565 L CA -1.051 53.808 54.840 0.033 0.000 0.813 565 L CB 0.366 42.397 42.059 -0.047 0.000 1.118 565 L HN 0.524 nan 8.230 nan 0.000 0.471 566 N N -0.164 118.512 118.700 -0.039 0.000 2.479 566 N HA 0.045 4.785 4.740 0.001 0.000 0.257 566 N C -0.368 175.130 175.510 -0.021 0.000 1.232 566 N CA -0.037 52.952 53.050 -0.102 0.000 0.920 566 N CB 0.176 38.606 38.487 -0.094 0.000 1.105 566 N HN 0.444 nan 8.380 nan 0.000 0.444 567 H N 0.106 119.170 119.070 -0.011 0.000 3.115 567 H HA 0.040 4.596 4.556 0.001 0.000 0.324 567 H C 1.418 176.733 175.328 -0.023 0.000 1.007 567 H CA 0.558 56.598 56.048 -0.014 0.000 1.385 567 H CB 0.275 30.032 29.762 -0.009 0.000 1.351 567 H HN 0.866 nan 8.280 nan 0.000 0.592 568 G N 1.893 110.754 108.800 0.101 0.000 2.189 568 G HA2 -0.279 3.682 3.960 0.001 0.000 0.267 568 G HA3 -0.279 3.682 3.960 0.001 0.000 0.267 568 G C 0.140 175.038 174.900 -0.004 0.000 0.975 568 G CA 0.166 45.285 45.100 0.032 0.000 0.644 568 G HN 0.579 nan 8.290 nan 0.000 0.537 569 E N 0.870 121.061 120.200 -0.015 0.000 2.242 569 E HA 0.646 4.997 4.350 0.001 0.000 0.275 569 E C 0.328 176.862 176.600 -0.109 0.000 1.002 569 E CA 0.510 56.873 56.400 -0.063 0.000 0.841 569 E CB 1.377 31.034 29.700 -0.071 0.000 1.109 569 E HN 0.838 nan 8.360 nan 0.000 0.394 570 E N 1.971 122.076 120.200 -0.157 0.000 2.272 570 E HA 0.527 4.878 4.350 0.001 0.000 0.269 570 E C -2.676 173.714 176.600 -0.350 0.000 0.877 570 E CA -2.025 54.249 56.400 -0.208 0.000 0.755 570 E CB 1.070 30.691 29.700 -0.132 0.000 1.192 570 E HN 0.149 nan 8.360 nan 0.000 0.422 571 P HA 0.453 nan 4.420 nan 0.000 0.272 571 P C -0.553 176.526 177.300 -0.369 0.000 1.223 571 P CA -0.135 62.454 63.100 -0.852 0.000 0.784 571 P CB 1.095 32.025 31.700 -1.285 0.000 0.923 572 S N 0.426 116.004 115.700 -0.203 0.000 2.565 572 S HA 0.492 4.962 4.470 0.001 0.000 0.269 572 S C -2.405 172.268 174.600 0.122 0.000 1.153 572 S CA -1.193 56.992 58.200 -0.025 0.000 0.835 572 S CB 1.549 64.730 63.200 -0.031 0.000 1.122 572 S HN 0.173 nan 8.310 nan 0.000 0.462 573 P HA -0.128 nan 4.420 nan 0.000 0.219 573 P C 1.189 178.587 177.300 0.162 0.000 1.146 573 P CA 1.400 64.569 63.100 0.115 0.000 0.808 573 P CB 0.093 31.803 31.700 0.017 0.000 0.779 574 E N -0.117 120.151 120.200 0.114 0.000 2.047 574 E HA -0.175 4.176 4.350 0.001 0.000 0.191 574 E C 1.991 178.681 176.600 0.151 0.000 0.987 574 E CA 0.670 57.137 56.400 0.111 0.000 0.799 574 E CB -0.576 29.164 29.700 0.066 0.000 0.752 574 E HN 0.014 nan 8.360 nan 0.000 0.449 575 L N 0.340 121.647 121.223 0.139 0.000 2.093 575 L HA -0.121 4.219 4.340 0.001 0.000 0.208 575 L C 2.114 179.159 176.870 0.291 0.000 1.085 575 L CA 1.689 56.609 54.840 0.133 0.000 0.755 575 L CB -0.840 41.204 42.059 -0.025 0.000 0.904 575 L HN 0.286 nan 8.230 nan 0.000 0.435 576 Y N 0.147 120.637 120.300 0.316 0.000 2.053 576 Y HA -0.362 4.189 4.550 0.001 0.000 0.277 576 Y C 2.460 178.444 175.900 0.140 0.000 1.159 576 Y CA 2.499 60.795 58.100 0.327 0.000 1.125 576 Y CB -0.409 38.221 38.460 0.282 0.000 0.969 576 Y HN 0.271 nan 8.280 nan 0.000 0.492 577 A N -0.358 122.687 122.820 0.375 0.000 1.972 577 A HA -0.219 4.101 4.320 0.001 0.000 0.219 577 A C 2.180 179.865 177.584 0.167 0.000 1.169 577 A CA 1.772 53.953 52.037 0.240 0.000 0.635 577 A CB -0.795 18.320 19.000 0.192 0.000 0.810 577 A HN 0.670 nan 8.150 nan 0.000 0.446 578 E N -0.206 120.096 120.200 0.170 0.000 2.072 578 E HA -0.112 4.239 4.350 0.001 0.000 0.191 578 E C 1.837 178.543 176.600 0.176 0.000 0.985 578 E CA 1.316 57.822 56.400 0.178 0.000 0.801 578 E CB -0.055 29.751 29.700 0.176 0.000 0.750 578 E HN 0.333 nan 8.360 nan 0.000 0.452 579 V N 1.272 121.219 119.914 0.056 0.000 2.427 579 V HA -0.211 3.910 4.120 0.001 0.000 0.248 579 V C 2.463 178.594 176.094 0.061 0.000 1.051 579 V CA 1.624 63.904 62.300 -0.032 0.000 1.048 579 V CB -0.464 31.271 31.823 -0.146 0.000 0.666 579 V HN 0.244 nan 8.190 nan 0.000 0.456 580 R N 0.159 120.659 120.500 -0.000 0.000 2.073 580 R HA -0.130 4.211 4.340 0.001 0.000 0.234 580 R C 2.196 178.548 176.300 0.088 0.000 1.134 580 R CA 1.547 57.650 56.100 0.004 0.000 0.952 580 R CB -0.506 29.785 30.300 -0.016 0.000 0.850 580 R HN 0.496 nan 8.270 nan 0.000 0.433 581 N N 0.253 119.030 118.700 0.128 0.000 2.289 581 N HA -0.219 4.522 4.740 0.001 0.000 0.184 581 N C 1.298 176.916 175.510 0.181 0.000 1.016 581 N CA 0.808 53.940 53.050 0.137 0.000 0.872 581 N CB -0.240 38.335 38.487 0.146 0.000 0.973 581 N HN 0.442 nan 8.380 nan 0.000 0.433 582 W N 1.576 122.918 121.300 0.069 0.000 2.381 582 W HA -0.083 4.577 4.660 0.001 0.000 0.301 582 W C 1.327 177.889 176.519 0.071 0.000 1.205 582 W CA 0.775 58.182 57.345 0.103 0.000 1.285 582 W CB -0.087 29.494 29.460 0.202 0.000 1.133 582 W HN -0.177 nan 8.180 nan 0.000 0.521 583 V N 1.480 121.500 119.914 0.176 0.000 2.427 583 V HA -0.263 3.857 4.120 0.001 0.000 0.248 583 V C 2.641 178.735 176.094 0.001 0.000 1.051 583 V CA 2.128 64.472 62.300 0.073 0.000 1.048 583 V CB -1.050 30.834 31.823 0.100 0.000 0.666 583 V HN 0.140 nan 8.190 nan 0.000 0.456 584 R N 0.584 121.095 120.500 0.017 0.000 2.103 584 R HA -0.240 4.100 4.340 0.001 0.000 0.242 584 R C 2.426 178.705 176.300 -0.036 0.000 1.142 584 R CA 2.104 58.208 56.100 0.007 0.000 0.960 584 R CB -0.233 30.081 30.300 0.023 0.000 0.858 584 R HN 0.460 nan 8.270 nan 0.000 0.439 585 K N -0.107 120.227 120.400 -0.110 0.000 2.228 585 K HA -0.077 4.243 4.320 0.001 0.000 0.202 585 K C 1.451 177.914 176.600 -0.228 0.000 1.051 585 K CA 0.894 57.076 56.287 -0.175 0.000 0.960 585 K CB 0.258 32.609 32.500 -0.248 0.000 0.743 585 K HN 0.157 nan 8.250 nan 0.000 0.458 586 E N 0.225 120.257 120.200 -0.280 0.000 2.112 586 E HA -0.037 4.313 4.350 0.001 0.000 0.190 586 E C 1.815 178.374 176.600 -0.067 0.000 0.979 586 E CA 0.975 57.236 56.400 -0.232 0.000 0.814 586 E CB 0.299 29.856 29.700 -0.237 0.000 0.762 586 E HN 0.400 nan 8.360 nan 0.000 0.460 587 I N -1.854 118.726 120.570 0.017 0.000 3.685 587 I HA 0.273 4.444 4.170 0.001 0.000 0.258 587 I C 0.879 177.146 176.117 0.249 0.000 1.135 587 I CA 0.373 61.770 61.300 0.162 0.000 1.436 587 I CB 1.246 39.349 38.000 0.171 0.000 1.670 587 I HN 0.055 nan 8.210 nan 0.000 0.424 588 G N 0.364 109.244 108.800 0.132 0.000 2.350 588 G HA2 0.107 4.067 3.960 0.001 0.000 0.304 588 G HA3 0.107 4.067 3.960 0.001 0.000 0.304 588 G C -2.730 172.199 174.900 0.048 0.000 1.421 588 G CA -0.610 44.543 45.100 0.088 0.000 0.934 588 G HN -0.216 nan 8.290 nan 0.000 0.632 589 P HA -0.100 nan 4.420 nan 0.000 0.217 589 P C 2.357 179.667 177.300 0.017 0.000 1.151 589 P CA 1.837 64.949 63.100 0.020 0.000 0.849 589 P CB -0.097 31.612 31.700 0.014 0.000 0.787 590 L N -3.390 117.836 121.223 0.004 0.000 2.351 590 L HA -0.005 4.335 4.340 0.001 0.000 0.220 590 L C 1.648 178.519 176.870 0.001 0.000 1.127 590 L CA 2.060 56.884 54.840 -0.026 0.000 0.786 590 L CB -1.082 40.868 42.059 -0.183 0.000 0.914 590 L HN -0.116 nan 8.230 nan 0.000 0.443 591 A N -0.604 122.231 122.820 0.026 0.000 2.538 591 A HA 0.304 4.625 4.320 0.001 0.000 0.269 591 A C 0.641 178.244 177.584 0.032 0.000 1.231 591 A CA -0.267 51.795 52.037 0.042 0.000 0.948 591 A CB -0.096 18.952 19.000 0.081 0.000 1.110 591 A HN 0.322 nan 8.150 nan 0.000 0.529 592 T N 3.654 118.219 114.554 0.020 0.000 2.834 592 T HA 0.333 4.683 4.350 0.001 0.000 0.298 592 T C -2.572 172.120 174.700 -0.013 0.000 0.966 592 T CA -0.318 61.788 62.100 0.009 0.000 1.141 592 T CB 0.612 69.488 68.868 0.013 0.000 0.905 592 T HN 0.143 nan 8.240 nan 0.000 0.535 593 P HA 0.150 nan 4.420 nan 0.000 0.266 593 P C -0.127 177.127 177.300 -0.075 0.000 1.195 593 P CA -0.049 63.005 63.100 -0.076 0.000 0.768 593 P CB 0.553 32.163 31.700 -0.150 0.000 0.838 594 D N 0.430 120.797 120.400 -0.055 0.000 2.271 594 D HA 0.032 4.673 4.640 0.001 0.000 0.206 594 D C -0.030 176.248 176.300 -0.037 0.000 0.967 594 D CA 0.938 54.928 54.000 -0.018 0.000 0.867 594 D CB 0.261 41.070 40.800 0.015 0.000 0.960 594 D HN 0.065 nan 8.370 nan 0.000 0.509 595 V N 1.428 121.247 119.914 -0.158 0.000 2.577 595 V HA 0.346 4.467 4.120 0.001 0.000 0.303 595 V C -0.801 174.966 176.094 -0.544 0.000 1.042 595 V CA -0.833 61.285 62.300 -0.305 0.000 0.872 595 V CB 2.159 33.669 31.823 -0.521 0.000 0.998 595 V HN -0.007 nan 8.190 nan 0.000 0.423 596 L N 4.177 125.026 121.223 -0.624 0.000 2.307 596 L HA 0.586 4.926 4.340 0.001 0.000 0.284 596 L C -0.273 176.129 176.870 -0.780 0.000 1.023 596 L CA -0.526 53.778 54.840 -0.894 0.000 0.810 596 L CB 1.302 42.496 42.059 -1.441 0.000 1.231 596 L HN 0.739 nan 8.230 nan 0.000 0.423 597 H N 2.659 121.231 119.070 -0.829 0.000 2.718 597 H HA 0.275 4.831 4.556 0.001 0.000 0.295 597 H C -1.302 173.859 175.328 -0.279 0.000 1.051 597 H CA -0.879 54.848 56.048 -0.534 0.000 1.260 597 H CB 0.615 30.027 29.762 -0.583 0.000 1.403 597 H HN 0.523 nan 8.280 nan 0.000 0.488 598 W N 4.405 125.850 121.300 0.243 0.000 2.253 598 W HA 0.283 4.944 4.660 0.001 0.000 0.322 598 W C 0.400 177.096 176.519 0.295 0.000 1.342 598 W CA -0.264 57.198 57.345 0.194 0.000 1.218 598 W CB 1.166 30.697 29.460 0.119 0.000 1.205 598 W HN 0.419 nan 8.180 nan 0.000 0.551 599 T N 1.869 116.684 114.554 0.435 0.000 2.885 599 T HA 0.106 4.457 4.350 0.001 0.000 0.322 599 T C -0.330 174.490 174.700 0.200 0.000 1.387 599 T CA -0.665 61.616 62.100 0.301 0.000 1.041 599 T CB 1.333 70.330 68.868 0.214 0.000 1.287 599 T HN 0.389 nan 8.240 nan 0.000 0.491 600 D N 1.778 122.269 120.400 0.153 0.000 2.363 600 D HA 0.243 4.884 4.640 0.001 0.000 0.214 600 D C 0.377 176.724 176.300 0.080 0.000 1.093 600 D CA 0.150 54.217 54.000 0.112 0.000 0.837 600 D CB 0.696 41.554 40.800 0.097 0.000 0.948 600 D HN 0.325 nan 8.370 nan 0.000 0.507 601 S N 0.482 116.224 115.700 0.070 0.000 2.592 601 S HA 0.256 4.726 4.470 0.001 0.000 0.243 601 S C 0.574 175.160 174.600 -0.023 0.000 1.160 601 S CA -0.412 57.809 58.200 0.034 0.000 1.145 601 S CB 0.542 63.775 63.200 0.055 0.000 0.909 601 S HN 0.162 nan 8.310 nan 0.000 0.487 602 L N 3.489 124.693 121.223 -0.033 0.000 2.453 602 L HA 0.246 4.587 4.340 0.001 0.000 0.272 602 L C -2.172 174.651 176.870 -0.077 0.000 1.182 602 L CA -1.354 53.432 54.840 -0.090 0.000 0.858 602 L CB 0.166 42.189 42.059 -0.060 0.000 1.120 602 L HN 0.083 nan 8.230 nan 0.000 0.474 603 P HA 0.343 nan 4.420 nan 0.000 0.297 603 P C -1.454 175.811 177.300 -0.058 0.000 1.342 603 P CA -0.603 62.451 63.100 -0.075 0.000 0.801 603 P CB 0.918 32.564 31.700 -0.091 0.000 0.920 604 K N 1.124 121.503 120.400 -0.036 0.000 2.375 604 K HA 0.531 4.852 4.320 0.001 0.000 0.249 604 K C 0.403 176.992 176.600 -0.018 0.000 0.942 604 K CA -0.751 55.521 56.287 -0.026 0.000 0.806 604 K CB 1.463 33.953 32.500 -0.017 0.000 1.227 604 K HN 0.333 nan 8.250 nan 0.000 0.430 605 T N -0.657 113.888 114.554 -0.016 0.000 2.701 605 T HA 0.092 4.443 4.350 0.001 0.000 0.303 605 T C 1.060 175.755 174.700 -0.007 0.000 1.030 605 T CA -0.525 61.569 62.100 -0.011 0.000 1.010 605 T CB 0.486 69.348 68.868 -0.010 0.000 1.007 605 T HN 0.511 nan 8.240 nan 0.000 0.532 606 R N 0.030 120.527 120.500 -0.005 0.000 2.316 606 R HA 0.052 4.392 4.340 0.001 0.000 0.202 606 R C 2.049 178.348 176.300 -0.002 0.000 1.029 606 R CA 0.386 56.485 56.100 -0.003 0.000 1.018 606 R CB -0.204 30.095 30.300 -0.002 0.000 0.888 606 R HN 0.488 nan 8.270 nan 0.000 0.471 607 S N -0.608 115.090 115.700 -0.003 0.000 2.503 607 S HA 0.122 4.592 4.470 0.001 0.000 0.217 607 S C 1.246 175.844 174.600 -0.002 0.000 0.999 607 S CA 0.726 58.924 58.200 -0.003 0.000 0.914 607 S CB 0.880 64.077 63.200 -0.004 0.000 0.782 607 S HN 0.656 nan 8.310 nan 0.000 0.520 608 G N 0.615 109.413 108.800 -0.004 0.000 2.163 608 G HA2 -0.142 3.818 3.960 0.001 0.000 0.213 608 G HA3 -0.142 3.818 3.960 0.001 0.000 0.213 608 G C 0.061 174.958 174.900 -0.006 0.000 0.991 608 G CA 0.091 45.189 45.100 -0.003 0.000 0.653 608 G HN 0.782 nan 8.290 nan 0.000 0.518 609 K N -0.149 120.246 120.400 -0.008 0.000 2.416 609 K HA 0.840 5.160 4.320 0.001 0.000 0.283 609 K C 0.863 177.453 176.600 -0.017 0.000 1.037 609 K CA 0.482 56.763 56.287 -0.010 0.000 0.995 609 K CB -0.306 32.188 32.500 -0.011 0.000 0.938 609 K HN 1.994 nan 8.250 nan 0.000 0.475 610 I N 2.400 122.958 120.570 -0.019 0.000 2.648 610 I HA 0.421 4.592 4.170 0.001 0.000 0.284 610 I C 0.820 176.915 176.117 -0.038 0.000 1.153 610 I CA -0.332 60.948 61.300 -0.033 0.000 1.426 610 I CB -0.155 37.827 38.000 -0.031 0.000 1.381 610 I HN 0.804 nan 8.210 nan 0.000 0.571 611 M N 5.619 125.186 119.600 -0.055 0.000 2.589 611 M HA 0.340 4.821 4.480 0.001 0.000 0.340 611 M C 1.180 177.445 176.300 -0.058 0.000 1.308 611 M CA -0.158 55.113 55.300 -0.049 0.000 1.332 611 M CB 0.068 32.639 32.600 -0.048 0.000 1.219 611 M HN 0.829 nan 8.290 nan 0.000 0.467 612 R N 1.022 121.500 120.500 -0.037 0.000 2.096 612 R HA -0.163 4.177 4.340 0.001 0.000 0.235 612 R C 2.805 179.091 176.300 -0.024 0.000 1.127 612 R CA 2.147 58.231 56.100 -0.027 0.000 0.968 612 R CB -0.404 29.895 30.300 -0.002 0.000 0.861 612 R HN 0.744 nan 8.270 nan 0.000 0.440 613 R N 0.982 121.471 120.500 -0.018 0.000 2.096 613 R HA -0.156 4.185 4.340 0.001 0.000 0.240 613 R C 2.061 178.348 176.300 -0.021 0.000 1.139 613 R CA 2.027 58.121 56.100 -0.011 0.000 0.952 613 R CB -1.499 28.796 30.300 -0.007 0.000 0.854 613 R HN 0.302 nan 8.270 nan 0.000 0.436 614 I N 0.196 120.744 120.570 -0.037 0.000 2.353 614 I HA -0.031 4.140 4.170 0.001 0.000 0.248 614 I C 2.219 178.302 176.117 -0.056 0.000 1.119 614 I CA 0.996 62.271 61.300 -0.042 0.000 1.417 614 I CB 0.013 37.984 38.000 -0.048 0.000 1.078 614 I HN 0.347 nan 8.210 nan 0.000 0.421 615 L N -0.143 121.021 121.223 -0.099 0.000 2.217 615 L HA -0.126 4.215 4.340 0.001 0.000 0.211 615 L C 2.664 179.553 176.870 0.031 0.000 1.107 615 L CA 0.998 55.758 54.840 -0.133 0.000 0.783 615 L CB -0.589 41.273 42.059 -0.328 0.000 0.919 615 L HN 0.239 nan 8.230 nan 0.000 0.442 616 R N 0.855 121.361 120.500 0.010 0.000 2.075 616 R HA -0.171 4.169 4.340 0.001 0.000 0.232 616 R C 2.670 178.959 176.300 -0.019 0.000 1.126 616 R CA 1.820 57.924 56.100 0.008 0.000 0.963 616 R CB -0.089 30.216 30.300 0.010 0.000 0.858 616 R HN 0.209 nan 8.270 nan 0.000 0.435 617 K N 0.789 121.182 120.400 -0.012 0.000 2.097 617 K HA -0.055 4.265 4.320 0.001 0.000 0.205 617 K C 1.902 178.493 176.600 -0.014 0.000 1.050 617 K CA 1.603 57.882 56.287 -0.013 0.000 0.938 617 K CB -0.771 31.725 32.500 -0.007 0.000 0.718 617 K HN 0.266 nan 8.250 nan 0.000 0.442 618 I N 0.634 121.207 120.570 0.006 0.000 2.179 618 I HA -0.202 3.969 4.170 0.001 0.000 0.242 618 I C 3.009 179.118 176.117 -0.013 0.000 1.088 618 I CA 1.190 62.512 61.300 0.037 0.000 1.357 618 I CB -0.222 37.845 38.000 0.112 0.000 1.051 618 I HN 0.386 nan 8.210 nan 0.000 0.409 619 A N 0.660 123.407 122.820 -0.121 0.000 1.930 619 A HA -0.085 4.236 4.320 0.001 0.000 0.217 619 A C 2.526 179.917 177.584 -0.322 0.000 1.175 619 A CA 1.609 53.332 52.037 -0.522 0.000 0.627 619 A CB -0.754 17.618 19.000 -1.047 0.000 0.815 619 A HN 0.419 nan 8.150 nan 0.000 0.443 620 A N -2.005 120.713 122.820 -0.169 0.000 1.972 620 A HA 0.303 4.624 4.320 0.001 0.000 0.219 620 A C 1.987 179.541 177.584 -0.050 0.000 1.169 620 A CA 2.125 54.110 52.037 -0.087 0.000 0.635 620 A CB -0.607 18.363 19.000 -0.049 0.000 0.810 620 A HN 1.699 nan 8.150 nan 0.000 0.446 621 G N -3.126 105.651 108.800 -0.038 0.000 2.813 621 G HA2 0.208 4.169 3.960 0.001 0.000 0.194 621 G HA3 0.208 4.169 3.960 0.001 0.000 0.194 621 G C 0.332 175.231 174.900 -0.002 0.000 1.010 621 G CA 0.799 45.891 45.100 -0.013 0.000 0.771 621 G HN 1.012 nan 8.290 nan 0.000 0.485 635 P HA 0.170 nan 4.420 nan 0.000 0.242 635 P C 1.497 178.798 177.300 0.002 0.000 1.198 635 P CA 0.558 63.657 63.100 -0.003 0.000 0.756 635 P CB 0.021 31.720 31.700 -0.002 0.000 0.911 636 G N 0.922 109.725 108.800 0.005 0.000 2.432 636 G HA2 -0.240 3.720 3.960 0.001 0.000 0.219 636 G HA3 -0.240 3.720 3.960 0.001 0.000 0.219 636 G C 1.523 176.431 174.900 0.014 0.000 1.135 636 G CA 0.885 45.991 45.100 0.010 0.000 0.767 636 G HN 0.388 nan 8.290 nan 0.000 0.550 637 V N -0.695 119.225 119.914 0.010 0.000 2.867 637 V HA -0.123 3.997 4.120 0.001 0.000 0.260 637 V C 2.510 178.615 176.094 0.018 0.000 1.099 637 V CA 1.745 64.053 62.300 0.013 0.000 1.122 637 V CB -0.558 31.263 31.823 -0.003 0.000 0.708 637 V HN 0.151 nan 8.190 nan 0.000 0.490 638 V N 0.387 120.308 119.914 0.013 0.000 2.379 638 V HA -0.207 3.914 4.120 0.001 0.000 0.245 638 V C 2.677 178.794 176.094 0.038 0.000 1.044 638 V CA 2.296 64.607 62.300 0.018 0.000 1.036 638 V CB -0.679 31.148 31.823 0.008 0.000 0.664 638 V HN 0.686 nan 8.190 nan 0.000 0.453 639 E N 0.831 121.051 120.200 0.035 0.000 2.049 639 E HA -0.307 4.043 4.350 0.001 0.000 0.198 639 E C 2.461 179.097 176.600 0.060 0.000 1.007 639 E CA 2.269 58.694 56.400 0.042 0.000 0.809 639 E CB -0.147 29.572 29.700 0.033 0.000 0.749 639 E HN 0.616 nan 8.360 nan 0.000 0.450 640 K N 0.931 121.368 120.400 0.063 0.000 2.009 640 K HA -0.148 4.172 4.320 0.001 0.000 0.210 640 K C 2.148 178.825 176.600 0.128 0.000 1.049 640 K CA 1.688 58.025 56.287 0.085 0.000 0.929 640 K CB -1.383 31.164 32.500 0.077 0.000 0.714 640 K HN 0.190 nan 8.250 nan 0.000 0.440 641 L N 0.035 121.338 121.223 0.134 0.000 2.189 641 L HA -0.165 4.176 4.340 0.001 0.000 0.214 641 L C 2.730 179.747 176.870 0.244 0.000 1.097 641 L CA 1.096 56.064 54.840 0.213 0.000 0.764 641 L CB -0.270 41.866 42.059 0.128 0.000 0.900 641 L HN 0.326 nan 8.230 nan 0.000 0.436 642 L N -1.159 120.154 121.223 0.150 0.000 2.131 642 L HA -0.133 4.208 4.340 0.001 0.000 0.206 642 L C 2.459 179.392 176.870 0.105 0.000 1.087 642 L CA 0.863 55.777 54.840 0.123 0.000 0.767 642 L CB -0.284 41.823 42.059 0.079 0.000 0.917 642 L HN 0.197 nan 8.230 nan 0.000 0.441 643 E N 0.208 120.465 120.200 0.095 0.000 2.070 643 E HA -0.286 4.064 4.350 0.001 0.000 0.197 643 E C 2.025 178.669 176.600 0.072 0.000 1.004 643 E CA 1.746 58.191 56.400 0.075 0.000 0.805 643 E CB -0.074 29.669 29.700 0.071 0.000 0.744 643 E HN 0.519 nan 8.360 nan 0.000 0.451 644 E N 0.580 120.845 120.200 0.107 0.000 2.106 644 E HA -0.163 4.187 4.350 0.001 0.000 0.192 644 E C 2.052 178.603 176.600 -0.082 0.000 0.984 644 E CA 0.568 57.000 56.400 0.052 0.000 0.806 644 E CB 0.049 29.861 29.700 0.187 0.000 0.750 644 E HN -0.003 nan 8.360 nan 0.000 0.458 645 K N 1.012 121.418 120.400 0.010 0.000 2.032 645 K HA -0.176 4.145 4.320 0.001 0.000 0.209 645 K C 2.072 178.674 176.600 0.004 0.000 1.048 645 K CA 1.293 57.588 56.287 0.013 0.000 0.927 645 K CB -0.073 32.518 32.500 0.151 0.000 0.712 645 K HN 0.104 nan 8.250 nan 0.000 0.441 646 Q N 0.155 119.969 119.800 0.023 0.000 2.437 646 Q HA 0.002 4.342 4.340 0.001 0.000 0.210 646 Q C 0.474 176.475 176.000 0.002 0.000 0.972 646 Q CA 0.350 56.163 55.803 0.016 0.000 0.903 646 Q CB 0.058 28.810 28.738 0.024 0.000 0.967 646 Q HN 0.272 nan 8.270 nan 0.000 0.486 647 A N 0.000 122.814 122.820 -0.011 0.000 2.254 647 A HA 0.000 4.321 4.320 0.001 0.000 0.244 647 A CA 0.000 52.029 52.037 -0.012 0.000 0.836 647 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486