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 1v7x_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYGYFDNDN REYVITRPDV PAPWTNYLGT EKFCTVISHN AGGYSFYNSP DATA SEQUENCE EYNRVTKFRP NATFDRPGHY VYLRDDDSGD YWSISWQPVA KSLDEAQYQI DATA SEQUENCE RHGLSYSKFQ CDYNGIHARK TLFVPKGEDA EIWDVVIKNT SDQVRTISAF DATA SEQUENCE SFVEFSFSHI QSDNQNHQMS LYSAGTAYRP GLIEYDLYYN TDDFEGFYYL DATA SEQUENCE ASTFDPDSYD GQRDRFLGLY RDEANPLAVE QGRCSNSAQT CYNHCGSLHK DATA SEQUENCE QFTLQPGEEI RFAYILGIGK GNGERLREHY QDVANIDAAF AAIKAHWDER DATA SEQUENCE CAKFQVKSPN QGLDTMINAW TLYQAETCVV WSRFASFIEV GGRTGLGYRD DATA SEQUENCE TAQDAISVPH ANPEMTRKRI VDLLRGQVKA GYGLHLFDPD WFDPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXIHGI KDTCSDDHLW LIPTICKYVM ETGETSFFDQ DATA SEQUENCE MIPYADGGEA SVYEHMKAAL DFSAEYVGQT GICKGLRADW NDCLNLGGGE DATA SEQUENCE SSMVSFLHFW ALQEFIDLAK FLGKDQDVNT YTEMAANVRE ACETHLWDDE DATA SEQUENCE GGWYIRGLTK NGDKIGTAQQ QEGRVHLESN TLAVLSGLAS QERGEQAMDA DATA SEQUENCE VDEHLFSPYG LHLNAPSFST PNDDIGFVTR VYQGVKENGA IFSHPNPWAW DATA SEQUENCE VAETKLGRGD RAMKFYDALN PYNQNDIIEK RIAEPYSYVQ FIMGRDHQDH DATA SEQUENCE GRANHPWLTG TSGWAYFAVT NYILGVQSGF TGLSVDPCIP SDWPGFEVTR DATA SEQUENCE QWRGATYHIQ VENPDHVSKG VKSITLNGAP IQGRIPPQAQ GSDNQVVVVL DATA SEQUENCE G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.047 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.046 0.000 1.302 2 K N 2.370 122.698 120.400 -0.120 0.000 2.400 2 K HA 0.702 5.022 4.320 0.001 0.000 0.246 2 K C -1.217 175.241 176.600 -0.236 0.000 0.995 2 K CA -0.665 55.625 56.287 0.004 0.000 0.840 2 K CB 1.775 34.315 32.500 0.066 0.000 1.293 2 K HN 0.744 nan 8.250 nan 0.000 0.445 3 Y N -0.707 119.659 120.300 0.110 0.000 2.563 3 Y HA 0.356 4.906 4.550 0.001 0.000 0.250 3 Y C 0.601 176.556 175.900 0.092 0.000 1.126 3 Y CA -0.089 58.013 58.100 0.003 0.000 1.231 3 Y CB 2.081 40.389 38.460 -0.253 0.000 1.288 3 Y HN 0.971 nan 8.280 nan 0.000 0.537 4 G N -0.399 108.575 108.800 0.289 0.000 2.428 4 G HA2 0.445 4.405 3.960 0.001 0.000 0.305 4 G HA3 0.445 4.405 3.960 0.001 0.000 0.305 4 G C -2.136 172.752 174.900 -0.019 0.000 1.260 4 G CA -0.466 44.677 45.100 0.072 0.000 0.853 4 G HN 0.025 nan 8.290 nan 0.000 0.480 5 Y N -2.271 117.630 120.300 -0.664 0.000 2.641 5 Y HA 0.746 5.297 4.550 0.001 0.000 0.333 5 Y C -1.588 173.877 175.900 -0.726 0.000 1.174 5 Y CA -2.121 55.700 58.100 -0.465 0.000 1.057 5 Y CB 0.796 39.156 38.460 -0.167 0.000 1.322 5 Y HN 0.490 nan 8.280 nan 0.000 0.457 6 F N 2.168 122.047 119.950 -0.118 0.000 2.438 6 F HA 0.254 4.782 4.527 0.001 0.000 0.356 6 F C 0.393 176.291 175.800 0.164 0.000 1.099 6 F CA 0.019 58.024 58.000 0.009 0.000 1.185 6 F CB 0.784 39.948 39.000 0.274 0.000 1.115 6 F HN 0.534 nan 8.300 nan 0.000 0.526 7 D N 3.625 124.169 120.400 0.240 0.000 2.493 7 D HA 0.141 4.781 4.640 0.001 0.000 0.235 7 D C 0.582 177.067 176.300 0.308 0.000 1.117 7 D CA -0.141 54.020 54.000 0.269 0.000 0.930 7 D CB 0.099 40.982 40.800 0.138 0.000 1.010 7 D HN 0.463 nan 8.370 nan 0.000 0.514 8 N N 1.816 120.709 118.700 0.321 0.000 2.104 8 N HA -0.158 4.583 4.740 0.001 0.000 0.190 8 N C 1.032 176.657 175.510 0.192 0.000 1.024 8 N CA 1.037 54.250 53.050 0.273 0.000 0.853 8 N CB 0.171 38.788 38.487 0.218 0.000 1.008 8 N HN 0.425 nan 8.380 nan 0.000 0.424 9 D N 0.290 120.789 120.400 0.165 0.000 2.104 9 D HA -0.103 4.537 4.640 0.001 0.000 0.194 9 D C 0.757 177.130 176.300 0.123 0.000 0.994 9 D CA 1.185 55.261 54.000 0.126 0.000 0.830 9 D CB -0.406 40.461 40.800 0.112 0.000 0.959 9 D HN 0.417 nan 8.370 nan 0.000 0.452 10 N N -0.165 118.621 118.700 0.143 0.000 2.280 10 N HA 0.119 4.859 4.740 0.001 0.000 0.192 10 N C -0.296 175.301 175.510 0.144 0.000 1.109 10 N CA -0.162 52.973 53.050 0.142 0.000 0.855 10 N CB 0.424 39.001 38.487 0.150 0.000 0.974 10 N HN -0.036 nan 8.380 nan 0.000 0.482 11 R N 0.801 121.387 120.500 0.145 0.000 3.264 11 R HA -0.194 4.147 4.340 0.001 0.000 0.251 11 R C -1.256 175.112 176.300 0.112 0.000 0.971 11 R CA 0.768 56.916 56.100 0.080 0.000 0.658 11 R CB -1.554 28.692 30.300 -0.089 0.000 1.095 11 R HN 0.478 nan 8.270 nan 0.000 0.443 12 E N -0.276 120.114 120.200 0.317 0.000 2.393 12 E HA 0.255 4.606 4.350 0.001 0.000 0.273 12 E C -1.539 175.229 176.600 0.279 0.000 0.918 12 E CA -0.907 55.689 56.400 0.326 0.000 0.773 12 E CB 1.669 31.456 29.700 0.144 0.000 1.275 12 E HN 0.196 nan 8.360 nan 0.000 0.451 13 Y N 1.378 121.641 120.300 -0.061 0.000 2.331 13 Y HA 0.378 4.928 4.550 0.001 0.000 0.338 13 Y C -1.099 174.552 175.900 -0.415 0.000 0.976 13 Y CA -0.722 57.068 58.100 -0.518 0.000 1.137 13 Y CB 0.956 38.789 38.460 -1.046 0.000 1.172 13 Y HN 0.235 nan 8.280 nan 0.000 0.478 14 V N 8.333 127.602 119.914 -1.075 0.000 2.364 14 V HA 0.279 4.399 4.120 0.001 0.000 0.272 14 V C 0.077 175.780 176.094 -0.651 0.000 1.036 14 V CA -0.636 61.181 62.300 -0.805 0.000 0.880 14 V CB 0.776 31.953 31.823 -1.075 0.000 0.991 14 V HN 0.651 nan 8.190 nan 0.000 0.460 15 I N 4.935 125.371 120.570 -0.223 0.000 2.304 15 I HA 0.202 4.372 4.170 0.001 0.000 0.291 15 I C 1.501 177.604 176.117 -0.024 0.000 1.018 15 I CA -0.097 61.195 61.300 -0.014 0.000 1.260 15 I CB 1.752 39.782 38.000 0.049 0.000 1.390 15 I HN 0.802 nan 8.210 nan 0.000 0.475 16 T N 2.756 117.319 114.554 0.014 0.000 3.067 16 T HA 0.088 4.438 4.350 0.001 0.000 0.257 16 T C 0.667 175.383 174.700 0.027 0.000 1.105 16 T CA 0.012 62.136 62.100 0.039 0.000 1.104 16 T CB -0.012 68.900 68.868 0.073 0.000 0.925 16 T HN 0.684 nan 8.240 nan 0.000 0.498 17 R N 0.586 121.096 120.500 0.017 0.000 2.515 17 R HA 0.413 4.754 4.340 0.001 0.000 0.291 17 R C -2.862 173.407 176.300 -0.051 0.000 1.046 17 R CA -1.897 54.184 56.100 -0.032 0.000 0.914 17 R CB 1.019 31.286 30.300 -0.055 0.000 1.191 17 R HN -0.145 nan 8.270 nan 0.000 0.435 18 P HA -0.127 nan 4.420 nan 0.000 0.234 18 P C -0.335 176.942 177.300 -0.038 0.000 1.167 18 P CA 0.797 63.887 63.100 -0.017 0.000 0.763 18 P CB 0.160 31.837 31.700 -0.039 0.000 0.835 19 D N 0.373 120.598 120.400 -0.292 0.000 2.870 19 D HA 0.045 4.686 4.640 0.001 0.000 0.241 19 D C 0.260 176.459 176.300 -0.167 0.000 1.234 19 D CA -0.646 53.283 54.000 -0.119 0.000 0.844 19 D CB -0.788 39.900 40.800 -0.187 0.000 1.051 19 D HN -0.058 nan 8.370 nan 0.000 0.469 20 V N 2.109 121.748 119.914 -0.458 0.000 2.763 20 V HA 0.019 4.139 4.120 0.001 0.000 0.306 20 V C -0.609 175.123 176.094 -0.602 0.000 1.059 20 V CA -0.892 60.715 62.300 -1.156 0.000 1.138 20 V CB 0.866 31.716 31.823 -1.622 0.000 0.940 20 V HN 0.217 nan 8.190 nan 0.000 0.489 21 P HA 0.050 nan 4.420 nan 0.000 0.236 21 P C 0.064 177.292 177.300 -0.119 0.000 1.172 21 P CA 1.063 64.025 63.100 -0.230 0.000 0.759 21 P CB 0.368 31.973 31.700 -0.159 0.000 0.843 22 A N -0.818 121.913 122.820 -0.149 0.000 2.601 22 A HA 0.630 4.950 4.320 0.001 0.000 0.291 22 A C -3.195 174.471 177.584 0.137 0.000 1.075 22 A CA -1.607 50.457 52.037 0.046 0.000 0.671 22 A CB 0.583 19.657 19.000 0.122 0.000 1.277 22 A HN -0.255 nan 8.150 nan 0.000 0.417 23 P HA 0.264 nan 4.420 nan 0.000 0.271 23 P C -1.280 176.312 177.300 0.486 0.000 1.226 23 P CA 0.291 63.624 63.100 0.389 0.000 0.765 23 P CB 0.241 32.190 31.700 0.416 0.000 0.835 24 W N 3.637 125.160 121.300 0.371 0.000 2.283 24 W HA 0.288 4.949 4.660 0.001 0.000 0.317 24 W C 0.447 177.147 176.519 0.302 0.000 1.042 24 W CA -0.490 56.986 57.345 0.219 0.000 1.348 24 W CB 0.334 29.868 29.460 0.123 0.000 1.216 24 W HN 0.257 nan 8.180 nan 0.000 0.404 25 T N 0.340 115.045 114.554 0.252 0.000 2.912 25 T HA 0.653 5.004 4.350 0.001 0.000 0.280 25 T C -0.452 174.172 174.700 -0.126 0.000 0.989 25 T CA -0.564 61.464 62.100 -0.121 0.000 0.995 25 T CB 2.313 70.790 68.868 -0.650 0.000 1.077 25 T HN 0.216 nan 8.240 nan 0.000 0.531 26 N N -1.230 117.129 118.700 -0.568 0.000 2.494 26 N HA 0.414 5.154 4.740 0.001 0.000 0.270 26 N C -2.345 172.710 175.510 -0.759 0.000 1.285 26 N CA -0.795 51.944 53.050 -0.518 0.000 0.812 26 N CB 1.374 39.514 38.487 -0.578 0.000 1.557 26 N HN 0.684 nan 8.380 nan 0.000 0.487 27 Y N 0.890 120.749 120.300 -0.735 0.000 2.335 27 Y HA 0.516 5.067 4.550 0.001 0.000 0.338 27 Y C -0.229 175.556 175.900 -0.193 0.000 0.977 27 Y CA -0.559 57.193 58.100 -0.580 0.000 1.114 27 Y CB 1.203 39.243 38.460 -0.699 0.000 1.182 27 Y HN 0.259 nan 8.280 nan 0.000 0.463 28 L N 3.082 124.225 121.223 -0.134 0.000 2.325 28 L HA 0.893 5.234 4.340 0.001 0.000 0.278 28 L C 0.334 177.236 176.870 0.052 0.000 1.023 28 L CA -0.912 53.963 54.840 0.059 0.000 0.811 28 L CB 1.622 43.721 42.059 0.067 0.000 1.249 28 L HN 0.834 nan 8.230 nan 0.000 0.431 29 G N 0.863 109.809 108.800 0.243 0.000 2.770 29 G HA2 -0.013 3.948 3.960 0.001 0.000 0.686 29 G HA3 -0.013 3.948 3.960 0.001 0.000 0.686 29 G C -0.077 175.178 174.900 0.592 0.000 1.180 29 G CA -0.170 45.134 45.100 0.341 0.000 0.767 29 G HN 0.863 nan 8.290 nan 0.000 0.646 30 T N -2.448 112.382 114.554 0.461 0.000 3.130 30 T HA 0.462 4.812 4.350 0.001 0.000 0.288 30 T C 0.878 175.629 174.700 0.085 0.000 0.936 30 T CA 1.070 63.319 62.100 0.248 0.000 0.897 30 T CB 0.528 69.293 68.868 -0.171 0.000 1.178 30 T HN 0.635 nan 8.240 nan 0.000 0.543 31 E N 0.889 121.214 120.200 0.208 0.000 2.907 31 E HA 0.383 4.734 4.350 0.001 0.000 0.197 31 E C 1.116 177.767 176.600 0.085 0.000 1.150 31 E CA -0.422 56.023 56.400 0.075 0.000 1.134 31 E CB 0.498 30.277 29.700 0.131 0.000 2.214 31 E HN -0.068 nan 8.360 nan 0.000 0.541 32 K N -0.113 120.475 120.400 0.313 0.000 2.504 32 K HA 0.236 4.556 4.320 0.001 0.000 0.203 32 K C -0.132 176.671 176.600 0.338 0.000 1.350 32 K CA -0.146 56.287 56.287 0.243 0.000 0.953 32 K CB 0.487 32.998 32.500 0.018 0.000 1.243 32 K HN 0.020 nan 8.250 nan 0.000 0.534 33 F N 1.874 121.991 119.950 0.278 0.000 2.424 33 F HA 0.225 4.752 4.527 0.001 0.000 0.356 33 F C -0.190 175.447 175.800 -0.271 0.000 1.110 33 F CA -0.555 57.486 58.000 0.068 0.000 1.161 33 F CB 0.705 39.797 39.000 0.153 0.000 1.115 33 F HN -0.059 nan 8.300 nan 0.000 0.507 34 C N 5.033 123.673 119.300 -1.100 0.000 2.634 34 C HA 0.825 5.286 4.460 0.001 0.000 0.313 34 C C -0.804 173.521 174.990 -1.107 0.000 1.198 34 C CA -0.067 58.135 59.018 -1.361 0.000 1.605 34 C CB 1.302 27.528 27.740 -2.523 0.000 2.196 34 C HN 0.918 nan 8.230 nan 0.000 0.486 35 T N 3.886 117.996 114.554 -0.739 0.000 2.879 35 T HA 0.468 4.818 4.350 0.001 0.000 0.290 35 T C -0.957 173.259 174.700 -0.807 0.000 0.993 35 T CA -0.312 61.417 62.100 -0.618 0.000 0.975 35 T CB 1.459 70.166 68.868 -0.268 0.000 0.981 35 T HN 0.574 nan 8.240 nan 0.000 0.439 36 V N 4.587 123.897 119.914 -1.008 0.000 2.318 36 V HA 0.538 4.659 4.120 0.001 0.000 0.271 36 V C -0.286 175.343 176.094 -0.776 0.000 1.030 36 V CA -0.651 60.943 62.300 -1.176 0.000 0.844 36 V CB 0.668 31.770 31.823 -1.203 0.000 1.015 36 V HN 0.764 nan 8.190 nan 0.000 0.460 37 I N 4.798 124.988 120.570 -0.633 0.000 2.569 37 I HA 0.662 4.833 4.170 0.001 0.000 0.296 37 I C 0.478 176.486 176.117 -0.182 0.000 1.028 37 I CA 0.320 61.429 61.300 -0.319 0.000 1.082 37 I CB 2.374 40.269 38.000 -0.175 0.000 1.264 37 I HN 0.715 nan 8.210 nan 0.000 0.429 38 S N 5.285 121.000 115.700 0.024 0.000 2.730 38 S HA 0.310 4.780 4.470 0.001 0.000 0.284 38 S C 1.156 176.014 174.600 0.430 0.000 1.153 38 S CA -0.082 58.213 58.200 0.159 0.000 0.995 38 S CB 0.697 63.999 63.200 0.169 0.000 1.058 38 S HN 0.788 nan 8.310 nan 0.000 0.552 39 H N 0.357 119.689 119.070 0.438 0.000 2.561 39 H HA 0.137 4.693 4.556 0.001 0.000 0.278 39 H C 0.100 175.706 175.328 0.464 0.000 1.014 39 H CA 0.628 56.899 56.048 0.371 0.000 1.211 39 H CB -0.467 29.413 29.762 0.197 0.000 1.365 39 H HN 0.506 nan 8.280 nan 0.000 0.594 40 N N 0.504 119.166 118.700 -0.065 0.000 2.275 40 N HA 0.237 4.978 4.740 0.001 0.000 0.236 40 N C 0.632 176.172 175.510 0.049 0.000 1.154 40 N CA 0.657 53.686 53.050 -0.035 0.000 0.866 40 N CB 0.836 39.227 38.487 -0.161 0.000 1.093 40 N HN 0.477 nan 8.380 nan 0.000 0.515 41 A N -0.564 122.286 122.820 0.049 0.000 2.829 41 A HA -0.154 4.167 4.320 0.001 0.000 0.267 41 A C 0.954 178.504 177.584 -0.057 0.000 1.370 41 A CA 1.119 53.042 52.037 -0.190 0.000 0.900 41 A CB -2.024 16.706 19.000 -0.451 0.000 1.044 41 A HN 0.378 nan 8.150 nan 0.000 0.691 42 G N -2.096 106.786 108.800 0.136 0.000 2.507 42 G HA2 0.781 4.741 3.960 0.001 0.000 0.271 42 G HA3 0.781 4.741 3.960 0.001 0.000 0.271 42 G C 0.663 175.661 174.900 0.165 0.000 1.189 42 G CA 0.705 45.928 45.100 0.205 0.000 0.859 42 G HN 2.361 nan 8.290 nan 0.000 0.542 43 G N -0.566 108.251 108.800 0.028 0.000 2.325 43 G HA2 0.527 4.488 3.960 0.001 0.000 0.285 43 G HA3 0.527 4.488 3.960 0.001 0.000 0.285 43 G C -1.101 173.613 174.900 -0.310 0.000 1.303 43 G CA -0.070 44.872 45.100 -0.263 0.000 0.970 43 G HN 1.916 nan 8.290 nan 0.000 0.490 44 Y N -2.312 117.694 120.300 -0.490 0.000 2.670 44 Y HA 0.871 5.422 4.550 0.001 0.000 0.334 44 Y C -0.220 175.515 175.900 -0.275 0.000 1.185 44 Y CA -0.804 57.100 58.100 -0.326 0.000 1.053 44 Y CB 1.023 39.352 38.460 -0.219 0.000 1.298 44 Y HN 0.855 nan 8.280 nan 0.000 0.459 45 S N 1.214 116.888 115.700 -0.042 0.000 2.600 45 S HA 0.849 5.319 4.470 0.001 0.000 0.300 45 S C -1.435 173.086 174.600 -0.130 0.000 1.087 45 S CA -0.697 57.328 58.200 -0.290 0.000 0.965 45 S CB 1.631 64.644 63.200 -0.312 0.000 1.089 45 S HN 0.807 nan 8.310 nan 0.000 0.496 46 F N -0.488 119.164 119.950 -0.497 0.000 2.686 46 F HA 0.720 5.248 4.527 0.001 0.000 0.311 46 F C -1.809 173.789 175.800 -0.336 0.000 1.128 46 F CA -1.389 56.442 58.000 -0.282 0.000 0.946 46 F CB 1.012 39.973 39.000 -0.065 0.000 1.336 46 F HN 0.550 nan 8.300 nan 0.000 0.457 47 Y N 3.253 123.556 120.300 0.005 0.000 2.326 47 Y HA 0.408 4.959 4.550 0.001 0.000 0.331 47 Y C 0.685 176.797 175.900 0.353 0.000 0.962 47 Y CA -0.410 57.733 58.100 0.071 0.000 1.167 47 Y CB 0.891 39.446 38.460 0.157 0.000 1.148 47 Y HN 1.042 nan 8.280 nan 0.000 0.463 48 N N 1.854 120.469 118.700 -0.141 0.000 3.268 48 N HA -0.292 4.448 4.740 0.001 0.000 0.220 48 N C -0.591 175.105 175.510 0.309 0.000 0.158 48 N CA 2.185 55.242 53.050 0.012 0.000 3.693 48 N CB -1.290 37.045 38.487 -0.253 0.000 1.061 48 N HN 0.545 nan 8.380 nan 0.000 0.266 49 S N 0.469 116.341 115.700 0.287 0.000 2.438 49 S HA 0.508 4.978 4.470 0.001 0.000 0.316 49 S C -1.765 172.871 174.600 0.060 0.000 1.084 49 S CA -1.163 57.142 58.200 0.174 0.000 1.107 49 S CB 1.660 64.991 63.200 0.219 0.000 0.981 49 S HN 0.332 nan 8.310 nan 0.000 0.466 50 P HA -0.081 nan 4.420 nan 0.000 0.219 50 P C 1.009 178.127 177.300 -0.304 0.000 1.150 50 P CA 0.845 63.558 63.100 -0.645 0.000 0.814 50 P CB 0.322 31.409 31.700 -1.022 0.000 0.787 51 E N -0.387 119.607 120.200 -0.344 0.000 2.107 51 E HA -0.150 4.201 4.350 0.001 0.000 0.191 51 E C 1.098 177.336 176.600 -0.603 0.000 0.982 51 E CA 1.319 57.394 56.400 -0.541 0.000 0.809 51 E CB -0.554 28.650 29.700 -0.826 0.000 0.756 51 E HN 0.259 nan 8.360 nan 0.000 0.459 52 Y N -0.933 119.365 120.300 -0.003 0.000 2.445 52 Y HA 0.396 4.946 4.550 0.001 0.000 0.247 52 Y C 0.440 176.514 175.900 0.291 0.000 1.129 52 Y CA -0.191 57.936 58.100 0.046 0.000 1.251 52 Y CB 0.700 39.121 38.460 -0.065 0.000 1.176 52 Y HN -0.015 nan 8.280 nan 0.000 0.522 53 N N 0.765 119.688 118.700 0.371 0.000 2.571 53 N HA 0.102 4.843 4.740 0.001 0.000 0.298 53 N C -0.373 175.359 175.510 0.370 0.000 1.671 53 N CA -0.196 53.118 53.050 0.440 0.000 0.900 53 N CB 0.750 39.543 38.487 0.510 0.000 1.365 53 N HN 0.189 nan 8.380 nan 0.000 0.493 54 R N 0.589 121.262 120.500 0.289 0.000 2.590 54 R HA 0.164 4.505 4.340 0.001 0.000 0.274 54 R C 0.727 177.127 176.300 0.168 0.000 1.061 54 R CA 0.003 56.230 56.100 0.212 0.000 1.081 54 R CB 0.850 31.216 30.300 0.110 0.000 0.984 54 R HN -0.150 nan 8.270 nan 0.000 0.448 55 V N 2.168 122.064 119.914 -0.031 0.000 2.672 55 V HA 0.023 4.144 4.120 0.001 0.000 0.242 55 V C 0.619 176.639 176.094 -0.124 0.000 1.059 55 V CA 1.473 63.548 62.300 -0.375 0.000 1.081 55 V CB 0.466 31.957 31.823 -0.552 0.000 0.752 55 V HN 0.992 nan 8.190 nan 0.000 0.472 56 T N -1.424 113.111 114.554 -0.032 0.000 2.907 56 T HA 0.527 4.878 4.350 0.001 0.000 0.292 56 T C -0.623 174.084 174.700 0.011 0.000 1.043 56 T CA -0.804 61.266 62.100 -0.051 0.000 1.003 56 T CB 2.346 71.197 68.868 -0.029 0.000 1.084 56 T HN 0.113 nan 8.240 nan 0.000 0.483 57 K N 0.528 120.901 120.400 -0.045 0.000 2.180 57 K HA 0.556 4.877 4.320 0.001 0.000 0.251 57 K C -1.216 175.445 176.600 0.102 0.000 1.014 57 K CA -0.531 55.751 56.287 -0.009 0.000 0.913 57 K CB 0.414 32.883 32.500 -0.052 0.000 1.008 57 K HN 0.568 nan 8.250 nan 0.000 0.490 58 F N 0.874 120.725 119.950 -0.166 0.000 2.630 58 F HA 0.252 4.780 4.527 0.001 0.000 0.325 58 F C -1.091 174.605 175.800 -0.173 0.000 1.184 58 F CA -0.708 57.175 58.000 -0.194 0.000 1.011 58 F CB 1.298 40.099 39.000 -0.331 0.000 1.268 58 F HN 0.296 nan 8.300 nan 0.000 0.480 59 R N 7.019 127.093 120.500 -0.709 0.000 2.287 59 R HA 0.350 4.690 4.340 0.001 0.000 0.327 59 R C -2.553 173.183 176.300 -0.940 0.000 1.109 59 R CA -1.577 54.191 56.100 -0.554 0.000 1.013 59 R CB 0.785 30.906 30.300 -0.299 0.000 1.126 59 R HN 0.343 nan 8.270 nan 0.000 0.503 60 P HA 0.037 nan 4.420 nan 0.000 0.276 60 P C -0.374 176.776 177.300 -0.250 0.000 1.261 60 P CA -0.396 62.368 63.100 -0.560 0.000 0.800 60 P CB 0.602 32.194 31.700 -0.180 0.000 1.066 61 N N -1.870 116.767 118.700 -0.105 0.000 2.721 61 N HA -0.195 4.546 4.740 0.001 0.000 0.249 61 N C -0.943 174.536 175.510 -0.052 0.000 1.072 61 N CA 1.018 54.052 53.050 -0.027 0.000 0.710 61 N CB -1.475 37.009 38.487 -0.004 0.000 0.993 61 N HN 0.672 nan 8.380 nan 0.000 0.547 62 A N -1.630 121.140 122.820 -0.084 0.000 2.387 62 A HA 0.691 5.012 4.320 0.001 0.000 0.298 62 A C 1.526 179.064 177.584 -0.076 0.000 1.165 62 A CA 0.127 52.117 52.037 -0.078 0.000 0.814 62 A CB 0.327 19.273 19.000 -0.091 0.000 1.357 62 A HN 0.601 nan 8.150 nan 0.000 0.443 63 T N -1.865 112.603 114.554 -0.144 0.000 2.929 63 T HA 0.088 4.438 4.350 0.001 0.000 0.271 63 T C 0.073 174.560 174.700 -0.355 0.000 1.085 63 T CA 1.134 63.064 62.100 -0.283 0.000 1.125 63 T CB -0.512 68.086 68.868 -0.450 0.000 0.874 63 T HN 0.275 nan 8.240 nan 0.000 0.494 64 F N 2.455 122.382 119.950 -0.039 0.000 2.522 64 F HA 0.449 4.977 4.527 0.001 0.000 0.324 64 F C -0.477 175.303 175.800 -0.034 0.000 1.077 64 F CA -2.487 55.491 58.000 -0.038 0.000 0.944 64 F CB 1.491 40.450 39.000 -0.068 0.000 1.175 64 F HN 0.076 nan 8.300 nan 0.000 0.468 65 D N 2.232 122.786 120.400 0.258 0.000 2.499 65 D HA 0.344 4.984 4.640 0.001 0.000 0.225 65 D C -0.344 176.094 176.300 0.230 0.000 1.124 65 D CA -0.417 53.709 54.000 0.211 0.000 0.938 65 D CB 0.206 41.276 40.800 0.450 0.000 1.014 65 D HN 0.481 nan 8.370 nan 0.000 0.517 66 R N 1.721 122.253 120.500 0.053 0.000 2.837 66 R HA 0.566 4.906 4.340 0.001 0.000 0.271 66 R C -2.526 173.777 176.300 0.005 0.000 0.993 66 R CA -1.770 54.408 56.100 0.130 0.000 0.931 66 R CB 2.440 32.815 30.300 0.124 0.000 1.206 66 R HN 0.205 nan 8.270 nan 0.000 0.474 67 P HA 0.326 nan 4.420 nan 0.000 0.307 67 P C -0.519 176.820 177.300 0.064 0.000 1.306 67 P CA -0.167 63.066 63.100 0.222 0.000 0.742 67 P CB 0.852 32.701 31.700 0.248 0.000 1.349 68 G N -2.283 106.280 108.800 -0.395 0.000 2.731 68 G HA2 0.334 4.294 3.960 0.001 0.000 0.309 68 G HA3 0.334 4.294 3.960 0.001 0.000 0.309 68 G C -1.598 172.825 174.900 -0.796 0.000 1.273 68 G CA -0.549 44.102 45.100 -0.748 0.000 0.798 68 G HN 0.562 nan 8.290 nan 0.000 0.509 69 H N 0.459 118.961 119.070 -0.947 0.000 2.680 69 H HA 0.404 4.961 4.556 0.001 0.000 0.260 69 H C -0.968 173.826 175.328 -0.891 0.000 1.328 69 H CA -0.374 55.154 56.048 -0.867 0.000 1.269 69 H CB 0.534 29.709 29.762 -0.978 0.000 1.446 69 H HN 0.252 nan 8.280 nan 0.000 0.527 70 Y N 0.922 121.141 120.300 -0.136 0.000 2.419 70 Y HA 0.387 4.937 4.550 0.001 0.000 0.328 70 Y C 0.142 176.040 175.900 -0.003 0.000 1.162 70 Y CA -1.206 56.773 58.100 -0.201 0.000 1.174 70 Y CB 1.322 39.609 38.460 -0.288 0.000 1.228 70 Y HN 0.171 nan 8.280 nan 0.000 0.473 71 V N 3.281 123.243 119.914 0.079 0.000 2.443 71 V HA 0.327 4.447 4.120 0.001 0.000 0.293 71 V C -1.263 174.877 176.094 0.076 0.000 1.021 71 V CA -1.207 61.249 62.300 0.260 0.000 0.848 71 V CB 0.573 32.631 31.823 0.392 0.000 0.998 71 V HN 0.589 nan 8.190 nan 0.000 0.424 72 Y N 4.912 125.394 120.300 0.304 0.000 2.323 72 Y HA 0.656 5.206 4.550 0.001 0.000 0.331 72 Y C 0.190 176.175 175.900 0.142 0.000 1.092 72 Y CA -0.609 57.582 58.100 0.152 0.000 1.150 72 Y CB 1.354 39.869 38.460 0.092 0.000 1.200 72 Y HN 0.403 nan 8.280 nan 0.000 0.472 73 L N 4.253 125.411 121.223 -0.108 0.000 2.334 73 L HA 0.666 5.007 4.340 0.001 0.000 0.276 73 L C -0.364 176.211 176.870 -0.492 0.000 1.014 73 L CA -0.943 53.673 54.840 -0.373 0.000 0.815 73 L CB 2.158 43.687 42.059 -0.884 0.000 1.268 73 L HN 0.580 nan 8.230 nan 0.000 0.428 74 R N 1.480 121.923 120.500 -0.095 0.000 2.574 74 R HA 0.224 4.564 4.340 0.001 0.000 0.288 74 R C -1.441 175.015 176.300 0.259 0.000 1.004 74 R CA -0.670 55.522 56.100 0.153 0.000 0.895 74 R CB 1.919 32.398 30.300 0.298 0.000 1.191 74 R HN 0.576 nan 8.270 nan 0.000 0.444 75 D N 3.065 123.715 120.400 0.418 0.000 2.365 75 D HA 0.040 4.680 4.640 0.001 0.000 0.237 75 D C -0.203 176.247 176.300 0.250 0.000 1.190 75 D CA -0.101 54.119 54.000 0.366 0.000 0.867 75 D CB 1.157 42.194 40.800 0.393 0.000 1.050 75 D HN 0.495 nan 8.370 nan 0.000 0.491 76 D N 2.641 123.160 120.400 0.197 0.000 2.392 76 D HA -0.090 4.550 4.640 0.001 0.000 0.228 76 D C 0.756 177.126 176.300 0.116 0.000 1.003 76 D CA 0.461 54.550 54.000 0.148 0.000 0.917 76 D CB 0.463 41.336 40.800 0.122 0.000 0.890 76 D HN 0.494 nan 8.370 nan 0.000 0.532 77 D N -0.754 119.718 120.400 0.120 0.000 2.240 77 D HA -0.033 4.607 4.640 0.001 0.000 0.206 77 D C 1.974 178.325 176.300 0.086 0.000 0.963 77 D CA 0.737 54.791 54.000 0.089 0.000 0.863 77 D CB 0.310 41.158 40.800 0.080 0.000 0.973 77 D HN 0.217 nan 8.370 nan 0.000 0.501 78 S N -1.570 114.196 115.700 0.110 0.000 2.524 78 S HA 0.336 4.807 4.470 0.001 0.000 0.222 78 S C 1.745 176.415 174.600 0.116 0.000 1.040 78 S CA 0.727 58.986 58.200 0.099 0.000 0.915 78 S CB 1.257 64.515 63.200 0.096 0.000 0.831 78 S HN 0.211 nan 8.310 nan 0.000 0.492 79 G N 1.412 110.306 108.800 0.156 0.000 2.176 79 G HA2 -0.244 3.717 3.960 0.001 0.000 0.253 79 G HA3 -0.244 3.717 3.960 0.001 0.000 0.253 79 G C -0.240 174.806 174.900 0.243 0.000 0.979 79 G CA 0.165 45.369 45.100 0.172 0.000 0.641 79 G HN 0.705 nan 8.290 nan 0.000 0.530 80 D N 0.488 121.043 120.400 0.257 0.000 2.372 80 D HA 0.530 5.170 4.640 0.001 0.000 0.243 80 D C 0.302 176.918 176.300 0.526 0.000 1.121 80 D CA 0.192 54.367 54.000 0.291 0.000 0.898 80 D CB 0.172 41.148 40.800 0.293 0.000 1.202 80 D HN 0.670 nan 8.370 nan 0.000 0.428 81 Y N 0.253 120.827 120.300 0.457 0.000 2.597 81 Y HA 0.732 5.283 4.550 0.001 0.000 0.340 81 Y C -1.388 174.862 175.900 0.585 0.000 1.097 81 Y CA -1.486 56.874 58.100 0.433 0.000 1.037 81 Y CB 0.731 39.252 38.460 0.101 0.000 1.305 81 Y HN 0.534 nan 8.280 nan 0.000 0.463 82 W N 0.329 121.876 121.300 0.412 0.000 3.005 82 W HA 0.799 5.460 4.660 0.001 0.000 0.343 82 W C -1.885 174.810 176.519 0.293 0.000 1.243 82 W CA -1.081 56.417 57.345 0.255 0.000 1.186 82 W CB 0.797 30.317 29.460 0.099 0.000 1.453 82 W HN 0.796 nan 8.180 nan 0.000 0.575 83 S N 0.335 116.182 115.700 0.244 0.000 2.593 83 S HA 0.474 4.945 4.470 0.001 0.000 0.297 83 S C 0.374 175.125 174.600 0.252 0.000 1.112 83 S CA -0.882 57.325 58.200 0.011 0.000 1.043 83 S CB 1.831 64.861 63.200 -0.283 0.000 1.054 83 S HN 0.619 nan 8.310 nan 0.000 0.516 84 I N 1.274 121.945 120.570 0.168 0.000 2.394 84 I HA -0.112 4.059 4.170 0.001 0.000 0.251 84 I C 1.323 177.679 176.117 0.398 0.000 1.136 84 I CA 0.705 62.193 61.300 0.314 0.000 1.425 84 I CB -0.464 37.660 38.000 0.207 0.000 1.079 84 I HN 0.747 nan 8.210 nan 0.000 0.425 85 S N -0.655 115.131 115.700 0.142 0.000 2.610 85 S HA 0.014 4.485 4.470 0.001 0.000 0.273 85 S C 0.331 174.918 174.600 -0.023 0.000 1.274 85 S CA -0.793 57.464 58.200 0.095 0.000 1.023 85 S CB 1.326 64.431 63.200 -0.158 0.000 0.962 85 S HN 0.380 nan 8.310 nan 0.000 0.523 86 W N 2.255 123.239 121.300 -0.527 0.000 2.322 86 W HA -0.030 4.631 4.660 0.001 0.000 0.326 86 W C 0.907 177.162 176.519 -0.440 0.000 1.224 86 W CA 1.344 58.113 57.345 -0.960 0.000 1.257 86 W CB -0.648 28.286 29.460 -0.876 0.000 1.174 86 W HN 0.584 nan 8.180 nan 0.000 0.460 87 Q N 0.875 120.379 119.800 -0.493 0.000 2.417 87 Q HA 0.038 4.378 4.340 0.001 0.000 0.241 87 Q C -1.119 174.519 176.000 -0.604 0.000 1.008 87 Q CA -0.950 54.461 55.803 -0.652 0.000 0.901 87 Q CB 0.118 28.578 28.738 -0.465 0.000 1.259 87 Q HN 0.156 nan 8.270 nan 0.000 0.489 88 P HA -0.013 nan 4.420 nan 0.000 0.235 88 P C 1.039 178.024 177.300 -0.525 0.000 1.177 88 P CA 0.473 63.147 63.100 -0.711 0.000 0.785 88 P CB 0.430 31.668 31.700 -0.770 0.000 0.885 89 V N 1.048 120.750 119.914 -0.353 0.000 2.515 89 V HA -0.062 4.059 4.120 0.001 0.000 0.250 89 V C 1.540 177.459 176.094 -0.293 0.000 1.058 89 V CA 1.285 63.489 62.300 -0.160 0.000 1.064 89 V CB -1.863 30.015 31.823 0.091 0.000 0.675 89 V HN 0.299 nan 8.190 nan 0.000 0.461 90 A N 0.272 122.768 122.820 -0.540 0.000 2.667 90 A HA -0.257 4.063 4.320 0.001 0.000 0.298 90 A C 0.527 178.017 177.584 -0.156 0.000 1.483 90 A CA 0.998 52.545 52.037 -0.816 0.000 0.738 90 A CB -1.617 16.873 19.000 -0.851 0.000 1.067 90 A HN 0.564 nan 8.150 nan 0.000 0.451 91 K N 0.993 121.427 120.400 0.056 0.000 2.436 91 K HA 0.369 4.689 4.320 0.001 0.000 0.275 91 K C 0.796 177.573 176.600 0.295 0.000 0.999 91 K CA 0.841 57.182 56.287 0.090 0.000 0.980 91 K CB 0.571 33.016 32.500 -0.092 0.000 0.919 91 K HN 1.050 nan 8.250 nan 0.000 0.484 92 S N 3.945 119.741 115.700 0.160 0.000 2.593 92 S HA -0.052 4.419 4.470 0.001 0.000 0.300 92 S C 1.090 175.795 174.600 0.175 0.000 1.267 92 S CA -0.126 58.184 58.200 0.184 0.000 1.065 92 S CB -0.081 63.179 63.200 0.100 0.000 0.807 92 S HN 0.582 nan 8.310 nan 0.000 0.499 93 L N 3.636 124.940 121.223 0.135 0.000 2.622 93 L HA 0.036 4.377 4.340 0.001 0.000 0.233 93 L C 1.306 178.191 176.870 0.024 0.000 1.156 93 L CA 0.422 55.277 54.840 0.026 0.000 0.866 93 L CB -0.281 41.698 42.059 -0.133 0.000 0.980 93 L HN 0.631 nan 8.230 nan 0.000 0.448 94 D N -0.291 120.136 120.400 0.045 0.000 2.354 94 D HA -0.038 4.603 4.640 0.001 0.000 0.209 94 D C 1.614 177.942 176.300 0.047 0.000 1.015 94 D CA 0.622 54.642 54.000 0.033 0.000 0.867 94 D CB 0.599 41.419 40.800 0.033 0.000 0.933 94 D HN 0.447 nan 8.370 nan 0.000 0.520 95 E N 0.051 120.294 120.200 0.073 0.000 2.290 95 E HA 0.251 4.601 4.350 0.001 0.000 0.199 95 E C 0.451 177.144 176.600 0.156 0.000 0.912 95 E CA -0.003 56.472 56.400 0.124 0.000 0.924 95 E CB 1.023 30.833 29.700 0.184 0.000 0.901 95 E HN -0.020 nan 8.360 nan 0.000 0.487 96 A N 1.466 124.322 122.820 0.060 0.000 2.350 96 A HA 0.389 4.709 4.320 0.001 0.000 0.324 96 A C -0.877 176.634 177.584 -0.122 0.000 1.118 96 A CA -0.471 51.530 52.037 -0.060 0.000 0.783 96 A CB 1.333 20.170 19.000 -0.272 0.000 1.236 96 A HN 0.037 nan 8.150 nan 0.000 0.457 97 Q N 1.591 121.265 119.800 -0.211 0.000 2.314 97 Q HA 0.544 4.885 4.340 0.001 0.000 0.259 97 Q C -1.913 173.920 176.000 -0.278 0.000 0.951 97 Q CA -0.265 55.455 55.803 -0.139 0.000 0.909 97 Q CB 0.800 29.505 28.738 -0.055 0.000 1.236 97 Q HN 0.698 nan 8.270 nan 0.000 0.444 98 Y N 1.658 121.973 120.300 0.024 0.000 2.468 98 Y HA 0.386 4.937 4.550 0.001 0.000 0.342 98 Y C -0.245 175.687 175.900 0.054 0.000 1.021 98 Y CA -0.591 57.550 58.100 0.069 0.000 1.079 98 Y CB 2.165 40.668 38.460 0.071 0.000 1.226 98 Y HN 0.556 nan 8.280 nan 0.000 0.460 99 Q N 2.758 122.697 119.800 0.231 0.000 2.315 99 Q HA 0.629 4.969 4.340 0.001 0.000 0.273 99 Q C -2.170 173.882 176.000 0.087 0.000 1.053 99 Q CA -0.805 55.071 55.803 0.122 0.000 0.817 99 Q CB 2.003 30.789 28.738 0.080 0.000 1.326 99 Q HN 0.726 nan 8.270 nan 0.000 0.423 100 I N 2.651 123.209 120.570 -0.020 0.000 2.466 100 I HA 0.471 4.642 4.170 0.001 0.000 0.289 100 I C -0.653 175.306 176.117 -0.264 0.000 1.026 100 I CA -0.313 60.868 61.300 -0.200 0.000 1.078 100 I CB 2.040 39.891 38.000 -0.247 0.000 1.249 100 I HN 0.431 nan 8.210 nan 0.000 0.429 101 R N 4.511 124.847 120.500 -0.273 0.000 2.320 101 R HA 0.435 4.775 4.340 0.001 0.000 0.319 101 R C -1.033 175.185 176.300 -0.136 0.000 0.969 101 R CA -0.871 55.130 56.100 -0.164 0.000 0.857 101 R CB 0.830 31.114 30.300 -0.027 0.000 1.160 101 R HN 0.478 nan 8.270 nan 0.000 0.491 102 H N 1.310 120.324 119.070 -0.095 0.000 2.668 102 H HA 0.315 4.871 4.556 0.001 0.000 0.303 102 H C 0.490 175.749 175.328 -0.116 0.000 1.074 102 H CA -0.242 55.741 56.048 -0.109 0.000 1.406 102 H CB 1.604 31.306 29.762 -0.100 0.000 1.442 102 H HN 0.808 nan 8.280 nan 0.000 0.482 103 G N 1.698 110.272 108.800 -0.376 0.000 2.932 103 G HA2 0.391 4.352 3.960 0.001 0.000 0.283 103 G HA3 0.391 4.352 3.960 0.001 0.000 0.283 103 G C -0.793 173.538 174.900 -0.947 0.000 1.336 103 G CA -0.839 43.736 45.100 -0.874 0.000 1.056 103 G HN 0.377 nan 8.290 nan 0.000 0.522 104 L N 1.219 121.766 121.223 -1.127 0.000 2.433 104 L HA 0.295 4.635 4.340 0.001 0.000 0.284 104 L C 1.006 177.518 176.870 -0.597 0.000 1.120 104 L CA 0.674 54.623 54.840 -1.484 0.000 0.879 104 L CB 0.244 41.138 42.059 -1.942 0.000 1.232 104 L HN 0.641 nan 8.230 nan 0.000 0.454 105 S N 2.350 117.966 115.700 -0.141 0.000 3.593 105 S HA -0.190 4.281 4.470 0.001 0.000 0.301 105 S C -0.408 174.388 174.600 0.328 0.000 1.209 105 S CA 1.277 59.647 58.200 0.284 0.000 0.878 105 S CB -2.056 61.458 63.200 0.524 0.000 1.000 105 S HN 0.771 nan 8.310 nan 0.000 0.578 106 Y N -2.736 117.669 120.300 0.175 0.000 2.620 106 Y HA 0.744 5.295 4.550 0.001 0.000 0.331 106 Y C -0.938 175.099 175.900 0.229 0.000 1.173 106 Y CA -1.061 57.192 58.100 0.254 0.000 1.076 106 Y CB 0.717 39.331 38.460 0.257 0.000 1.336 106 Y HN -0.018 nan 8.280 nan 0.000 0.459 107 S N 2.286 118.232 115.700 0.409 0.000 2.571 107 S HA 0.553 5.024 4.470 0.001 0.000 0.284 107 S C -1.390 173.289 174.600 0.132 0.000 1.128 107 S CA -1.115 57.203 58.200 0.196 0.000 0.970 107 S CB 1.388 64.688 63.200 0.167 0.000 1.039 107 S HN 0.545 nan 8.310 nan 0.000 0.485 108 K N 2.244 122.625 120.400 -0.032 0.000 2.265 108 K HA 0.515 4.836 4.320 0.001 0.000 0.267 108 K C -1.367 175.082 176.600 -0.252 0.000 0.994 108 K CA -0.260 56.024 56.287 -0.005 0.000 0.860 108 K CB 1.055 33.604 32.500 0.082 0.000 1.099 108 K HN 0.409 nan 8.250 nan 0.000 0.448 109 F N 1.687 121.703 119.950 0.111 0.000 2.443 109 F HA 0.337 4.865 4.527 0.001 0.000 0.335 109 F C 0.315 176.181 175.800 0.110 0.000 1.104 109 F CA -0.598 57.472 58.000 0.118 0.000 1.013 109 F CB 1.873 40.946 39.000 0.122 0.000 1.136 109 F HN 0.362 nan 8.300 nan 0.000 0.470 110 Q N 2.578 122.545 119.800 0.279 0.000 2.359 110 Q HA 0.642 4.983 4.340 0.001 0.000 0.274 110 Q C -1.870 174.231 176.000 0.168 0.000 1.074 110 Q CA -0.661 55.239 55.803 0.163 0.000 0.810 110 Q CB 2.671 31.477 28.738 0.113 0.000 1.342 110 Q HN 0.880 nan 8.270 nan 0.000 0.427 111 C N 3.279 122.610 119.300 0.052 0.000 2.551 111 C HA 0.562 5.023 4.460 0.001 0.000 0.332 111 C C -1.729 173.233 174.990 -0.048 0.000 1.139 111 C CA -0.380 58.586 59.018 -0.086 0.000 1.328 111 C CB 1.206 28.989 27.740 0.072 0.000 1.903 111 C HN 0.858 nan 8.230 nan 0.000 0.459 112 D N 4.156 124.498 120.400 -0.095 0.000 2.425 112 D HA 0.387 5.027 4.640 0.001 0.000 0.240 112 D C -1.524 174.761 176.300 -0.025 0.000 1.080 112 D CA 0.144 54.157 54.000 0.022 0.000 0.836 112 D CB 1.710 42.551 40.800 0.069 0.000 1.125 112 D HN 0.666 nan 8.370 nan 0.000 0.525 113 Y N 2.621 122.788 120.300 -0.221 0.000 2.358 113 Y HA 0.172 4.723 4.550 0.001 0.000 0.324 113 Y C -0.074 175.606 175.900 -0.368 0.000 1.123 113 Y CA -1.057 56.819 58.100 -0.373 0.000 1.067 113 Y CB 0.837 38.892 38.460 -0.675 0.000 1.230 113 Y HN 0.329 nan 8.280 nan 0.000 0.429 114 N N 4.310 122.571 118.700 -0.731 0.000 2.699 114 N HA -0.173 4.567 4.740 0.001 0.000 0.256 114 N C 0.785 176.061 175.510 -0.390 0.000 0.993 114 N CA 2.345 54.985 53.050 -0.684 0.000 0.759 114 N CB -1.065 36.731 38.487 -1.153 0.000 0.906 114 N HN 1.769 nan 8.380 nan 0.000 0.541 115 G N -1.364 107.313 108.800 -0.206 0.000 2.159 115 G HA2 -0.237 3.724 3.960 0.001 0.000 0.256 115 G HA3 -0.237 3.724 3.960 0.001 0.000 0.256 115 G C -0.132 174.766 174.900 -0.003 0.000 0.977 115 G CA 0.362 45.411 45.100 -0.085 0.000 0.652 115 G HN 0.468 nan 8.290 nan 0.000 0.531 116 I N 0.768 121.344 120.570 0.010 0.000 2.447 116 I HA 0.373 4.544 4.170 0.001 0.000 0.287 116 I C -0.125 176.125 176.117 0.223 0.000 1.023 116 I CA -1.338 60.066 61.300 0.172 0.000 1.083 116 I CB 1.444 39.654 38.000 0.350 0.000 1.245 116 I HN 0.258 nan 8.210 nan 0.000 0.434 117 H N 5.691 124.843 119.070 0.138 0.000 2.467 117 H HA 0.787 5.344 4.556 0.001 0.000 0.326 117 H C -0.920 174.512 175.328 0.173 0.000 1.094 117 H CA -0.360 55.763 56.048 0.125 0.000 1.253 117 H CB 1.410 31.217 29.762 0.074 0.000 1.439 117 H HN 0.740 nan 8.280 nan 0.000 0.479 118 A N 5.692 128.314 122.820 -0.329 0.000 2.422 118 A HA 0.692 5.012 4.320 0.001 0.000 0.302 118 A C -0.914 176.532 177.584 -0.230 0.000 1.041 118 A CA -0.941 51.008 52.037 -0.147 0.000 0.708 118 A CB 1.367 20.462 19.000 0.158 0.000 1.257 118 A HN 0.808 nan 8.150 nan 0.000 0.414 119 R N 1.009 121.439 120.500 -0.117 0.000 2.686 119 R HA 0.662 5.003 4.340 0.001 0.000 0.283 119 R C -1.099 175.238 176.300 0.061 0.000 0.978 119 R CA -0.813 55.277 56.100 -0.016 0.000 0.897 119 R CB 2.766 33.060 30.300 -0.011 0.000 1.192 119 R HN 0.679 nan 8.270 nan 0.000 0.457 120 K N 1.691 122.187 120.400 0.161 0.000 2.601 120 K HA 0.277 4.597 4.320 0.001 0.000 0.249 120 K C -1.497 175.284 176.600 0.301 0.000 0.966 120 K CA -0.303 56.108 56.287 0.205 0.000 0.827 120 K CB 2.107 34.735 32.500 0.213 0.000 1.178 120 K HN 0.514 nan 8.250 nan 0.000 0.437 121 T N 5.205 119.907 114.554 0.247 0.000 2.756 121 T HA 0.378 4.729 4.350 0.001 0.000 0.290 121 T C -0.305 174.662 174.700 0.445 0.000 0.985 121 T CA -0.541 61.747 62.100 0.312 0.000 0.955 121 T CB 0.367 69.318 68.868 0.139 0.000 0.930 121 T HN 0.381 nan 8.240 nan 0.000 0.451 122 L N 5.764 127.271 121.223 0.473 0.000 2.282 122 L HA 0.765 5.106 4.340 0.001 0.000 0.288 122 L C -0.546 176.659 176.870 0.560 0.000 1.033 122 L CA -0.932 54.138 54.840 0.383 0.000 0.807 122 L CB 0.540 42.727 42.059 0.213 0.000 1.209 122 L HN 0.718 nan 8.230 nan 0.000 0.423 123 F N 1.197 121.300 119.950 0.256 0.000 2.688 123 F HA 0.602 5.129 4.527 0.001 0.000 0.308 123 F C -1.465 174.450 175.800 0.192 0.000 1.117 123 F CA -1.160 56.997 58.000 0.261 0.000 0.976 123 F CB 1.190 40.402 39.000 0.353 0.000 1.291 123 F HN -0.054 nan 8.300 nan 0.000 0.439 124 V N 4.261 124.302 119.914 0.212 0.000 2.348 124 V HA 0.408 4.529 4.120 0.001 0.000 0.270 124 V C -1.960 174.224 176.094 0.150 0.000 1.037 124 V CA -1.669 60.675 62.300 0.073 0.000 0.872 124 V CB 1.114 33.050 31.823 0.188 0.000 1.002 124 V HN 0.629 nan 8.190 nan 0.000 0.464 125 P HA 0.204 nan 4.420 nan 0.000 0.275 125 P C -0.529 176.862 177.300 0.151 0.000 1.227 125 P CA -0.487 62.720 63.100 0.179 0.000 0.781 125 P CB 0.943 32.726 31.700 0.139 0.000 0.906 126 K N 1.211 121.701 120.400 0.151 0.000 2.382 126 K HA 0.323 4.643 4.320 0.001 0.000 0.275 126 K C 1.298 177.964 176.600 0.109 0.000 1.009 126 K CA 0.674 57.025 56.287 0.107 0.000 0.970 126 K CB -0.204 32.341 32.500 0.075 0.000 0.934 126 K HN 0.826 nan 8.250 nan 0.000 0.479 127 G N 1.318 110.176 108.800 0.097 0.000 2.195 127 G HA2 -0.192 3.768 3.960 0.001 0.000 0.246 127 G HA3 -0.192 3.768 3.960 0.001 0.000 0.246 127 G C -0.192 174.756 174.900 0.080 0.000 0.984 127 G CA -0.137 45.010 45.100 0.078 0.000 0.633 127 G HN 0.538 nan 8.290 nan 0.000 0.525 128 E N 0.440 120.701 120.200 0.102 0.000 2.343 128 E HA 0.447 4.797 4.350 0.001 0.000 0.270 128 E C -1.346 175.319 176.600 0.109 0.000 0.895 128 E CA -0.743 55.714 56.400 0.096 0.000 0.767 128 E CB 1.354 31.105 29.700 0.084 0.000 1.248 128 E HN 0.194 nan 8.360 nan 0.000 0.440 129 D N 1.265 121.747 120.400 0.137 0.000 2.772 129 D HA 0.489 5.130 4.640 0.001 0.000 0.273 129 D C -0.535 175.564 176.300 -0.334 0.000 1.233 129 D CA -0.003 54.102 54.000 0.176 0.000 0.984 129 D CB 0.642 41.740 40.800 0.496 0.000 1.000 129 D HN 0.402 nan 8.370 nan 0.000 0.514 130 A N 0.910 123.306 122.820 -0.706 0.000 2.586 130 A HA 0.516 4.837 4.320 0.001 0.000 0.290 130 A C -1.234 175.856 177.584 -0.822 0.000 1.086 130 A CA -0.803 50.654 52.037 -0.966 0.000 0.665 130 A CB 2.122 20.937 19.000 -0.308 0.000 1.279 130 A HN 0.152 nan 8.150 nan 0.000 0.423 131 E N 0.882 120.736 120.200 -0.576 0.000 2.176 131 E HA 0.612 4.963 4.350 0.001 0.000 0.267 131 E C -1.340 175.229 176.600 -0.052 0.000 0.893 131 E CA -0.485 55.808 56.400 -0.178 0.000 0.761 131 E CB 0.984 30.770 29.700 0.143 0.000 1.133 131 E HN 0.533 nan 8.360 nan 0.000 0.409 132 I N 4.031 124.472 120.570 -0.215 0.000 2.396 132 I HA 0.217 4.387 4.170 0.001 0.000 0.292 132 I C -0.775 175.455 176.117 0.189 0.000 0.999 132 I CA -0.698 60.459 61.300 -0.238 0.000 1.310 132 I CB 0.717 38.228 38.000 -0.815 0.000 1.404 132 I HN 0.486 nan 8.210 nan 0.000 0.496 133 W N 4.820 126.076 121.300 -0.074 0.000 2.322 133 W HA 0.267 4.928 4.660 0.001 0.000 0.321 133 W C -0.235 176.298 176.519 0.023 0.000 0.991 133 W CA -1.333 56.052 57.345 0.066 0.000 1.448 133 W CB 0.071 29.639 29.460 0.180 0.000 1.239 133 W HN 0.309 nan 8.180 nan 0.000 0.399 134 D N 2.480 123.020 120.400 0.233 0.000 2.352 134 D HA 0.302 4.943 4.640 0.001 0.000 0.245 134 D C -0.647 175.645 176.300 -0.012 0.000 1.224 134 D CA 0.141 54.187 54.000 0.076 0.000 0.879 134 D CB 0.941 41.816 40.800 0.124 0.000 1.057 134 D HN 0.001 nan 8.370 nan 0.000 0.491 135 V N 4.250 124.023 119.914 -0.235 0.000 2.435 135 V HA 0.470 4.590 4.120 0.001 0.000 0.290 135 V C 0.066 175.889 176.094 -0.451 0.000 1.030 135 V CA -0.842 61.233 62.300 -0.376 0.000 0.881 135 V CB 1.894 33.307 31.823 -0.682 0.000 0.983 135 V HN 0.327 nan 8.190 nan 0.000 0.445 136 V N 6.194 125.978 119.914 -0.217 0.000 2.531 136 V HA 0.543 4.663 4.120 0.001 0.000 0.301 136 V C -0.482 175.588 176.094 -0.041 0.000 1.034 136 V CA -0.342 61.883 62.300 -0.124 0.000 0.865 136 V CB 1.902 33.703 31.823 -0.037 0.000 0.995 136 V HN 0.704 nan 8.190 nan 0.000 0.424 137 I N 4.786 125.354 120.570 -0.003 0.000 2.418 137 I HA 0.537 4.707 4.170 0.001 0.000 0.287 137 I C -0.343 175.837 176.117 0.105 0.000 1.008 137 I CA -0.540 60.809 61.300 0.082 0.000 1.104 137 I CB 1.853 39.924 38.000 0.118 0.000 1.264 137 I HN 0.501 nan 8.210 nan 0.000 0.438 138 K N 4.981 125.487 120.400 0.175 0.000 2.345 138 K HA 0.340 4.660 4.320 0.001 0.000 0.255 138 K C -0.749 175.950 176.600 0.165 0.000 0.934 138 K CA -0.729 55.657 56.287 0.165 0.000 0.801 138 K CB 1.470 34.088 32.500 0.195 0.000 1.137 138 K HN 0.466 nan 8.250 nan 0.000 0.424 139 N N 2.608 121.379 118.700 0.119 0.000 2.415 139 N HA 0.012 4.753 4.740 0.001 0.000 0.246 139 N C 0.051 175.606 175.510 0.074 0.000 1.078 139 N CA -0.041 53.072 53.050 0.106 0.000 0.942 139 N CB 1.058 39.599 38.487 0.091 0.000 1.140 139 N HN 0.671 nan 8.380 nan 0.000 0.501 140 T N -0.645 113.951 114.554 0.071 0.000 3.122 140 T HA 0.122 4.473 4.350 0.001 0.000 0.250 140 T C 0.820 175.529 174.700 0.015 0.000 1.067 140 T CA -0.363 61.758 62.100 0.035 0.000 0.966 140 T CB -0.378 68.508 68.868 0.031 0.000 1.002 140 T HN 0.373 nan 8.240 nan 0.000 0.542 141 S N 1.751 117.462 115.700 0.018 0.000 2.707 141 S HA 0.357 4.827 4.470 0.001 0.000 0.276 141 S C 0.395 175.000 174.600 0.008 0.000 1.179 141 S CA -0.278 57.923 58.200 0.003 0.000 0.992 141 S CB 1.077 64.275 63.200 -0.003 0.000 1.030 141 S HN 0.359 nan 8.310 nan 0.000 0.554 142 D N -1.062 119.339 120.400 0.002 0.000 2.336 142 D HA 0.120 4.760 4.640 0.001 0.000 0.228 142 D C 0.462 176.768 176.300 0.011 0.000 1.120 142 D CA -0.244 53.759 54.000 0.005 0.000 0.839 142 D CB -0.323 40.477 40.800 0.000 0.000 0.932 142 D HN 0.724 nan 8.370 nan 0.000 0.509 143 Q N -1.120 118.689 119.800 0.016 0.000 2.495 143 Q HA 0.513 4.854 4.340 0.001 0.000 0.287 143 Q C -1.023 174.997 176.000 0.033 0.000 1.078 143 Q CA -1.303 54.512 55.803 0.021 0.000 0.793 143 Q CB 1.579 30.328 28.738 0.018 0.000 1.459 143 Q HN -0.117 nan 8.270 nan 0.000 0.422 144 V N 2.218 122.154 119.914 0.037 0.000 2.585 144 V HA 0.206 4.326 4.120 0.001 0.000 0.296 144 V C 0.033 176.163 176.094 0.060 0.000 1.035 144 V CA 0.015 62.344 62.300 0.048 0.000 1.084 144 V CB 0.158 32.007 31.823 0.043 0.000 0.953 144 V HN 0.602 nan 8.190 nan 0.000 0.483 145 R N 2.808 123.356 120.500 0.080 0.000 2.740 145 R HA 0.585 4.926 4.340 0.001 0.000 0.282 145 R C -0.586 175.787 176.300 0.123 0.000 0.969 145 R CA -0.585 55.578 56.100 0.104 0.000 0.918 145 R CB 2.010 32.385 30.300 0.124 0.000 1.175 145 R HN 0.636 nan 8.270 nan 0.000 0.464 146 T N 3.568 118.201 114.554 0.132 0.000 2.842 146 T HA 0.484 4.835 4.350 0.001 0.000 0.308 146 T C -0.029 174.775 174.700 0.172 0.000 1.041 146 T CA -0.487 61.692 62.100 0.132 0.000 0.964 146 T CB 0.531 69.455 68.868 0.094 0.000 0.972 146 T HN 0.198 nan 8.240 nan 0.000 0.460 147 I N 2.540 123.234 120.570 0.208 0.000 2.433 147 I HA 0.452 4.622 4.170 0.001 0.000 0.292 147 I C 0.381 176.626 176.117 0.213 0.000 1.001 147 I CA -0.690 60.756 61.300 0.244 0.000 1.119 147 I CB 1.816 39.996 38.000 0.300 0.000 1.289 147 I HN 0.453 nan 8.210 nan 0.000 0.438 148 S N 3.999 119.805 115.700 0.176 0.000 2.509 148 S HA 0.815 5.285 4.470 0.001 0.000 0.297 148 S C -0.061 174.623 174.600 0.139 0.000 1.118 148 S CA -0.553 57.693 58.200 0.076 0.000 1.074 148 S CB 1.925 65.219 63.200 0.155 0.000 1.038 148 S HN 0.737 nan 8.310 nan 0.000 0.498 149 A N 2.654 125.503 122.820 0.047 0.000 2.342 149 A HA 0.864 5.184 4.320 0.001 0.000 0.323 149 A C -1.240 176.468 177.584 0.207 0.000 1.125 149 A CA -0.543 51.679 52.037 0.309 0.000 0.785 149 A CB 0.414 19.757 19.000 0.571 0.000 1.221 149 A HN 0.689 nan 8.150 nan 0.000 0.463 150 F N 1.283 121.543 119.950 0.516 0.000 2.540 150 F HA 0.536 5.063 4.527 0.001 0.000 0.317 150 F C 0.834 176.913 175.800 0.465 0.000 1.104 150 F CA -0.353 57.952 58.000 0.507 0.000 0.913 150 F CB 2.574 41.841 39.000 0.445 0.000 1.170 150 F HN 0.651 nan 8.300 nan 0.000 0.450 151 S N 2.224 118.114 115.700 0.315 0.000 2.690 151 S HA 0.839 5.309 4.470 0.001 0.000 0.291 151 S C -1.220 173.459 174.600 0.132 0.000 1.138 151 S CA -0.554 57.607 58.200 -0.065 0.000 1.013 151 S CB 2.226 64.757 63.200 -1.114 0.000 1.053 151 S HN 0.584 nan 8.310 nan 0.000 0.539 152 F N 0.457 120.420 119.950 0.020 0.000 2.639 152 F HA 0.541 5.069 4.527 0.001 0.000 0.320 152 F C -1.577 174.189 175.800 -0.057 0.000 1.128 152 F CA -0.504 57.437 58.000 -0.098 0.000 1.037 152 F CB 1.422 40.522 39.000 0.167 0.000 1.288 152 F HN 0.844 nan 8.300 nan 0.000 0.463 153 V N 2.005 121.177 119.914 -1.237 0.000 3.048 153 V HA 0.631 4.751 4.120 0.001 0.000 0.303 153 V C -1.517 173.704 176.094 -1.456 0.000 1.214 153 V CA -0.860 60.787 62.300 -1.087 0.000 0.984 153 V CB 1.705 33.040 31.823 -0.813 0.000 1.054 153 V HN 0.920 nan 8.190 nan 0.000 0.430 154 E N 2.624 122.235 120.200 -0.982 0.000 2.113 154 E HA 0.539 4.889 4.350 0.001 0.000 0.273 154 E C -1.340 174.927 176.600 -0.555 0.000 0.924 154 E CA -0.737 55.264 56.400 -0.665 0.000 0.764 154 E CB 1.010 30.546 29.700 -0.274 0.000 1.104 154 E HN 0.603 nan 8.360 nan 0.000 0.406 155 F N 2.506 122.171 119.950 -0.475 0.000 2.529 155 F HA 0.056 4.583 4.527 0.001 0.000 0.365 155 F C 1.188 176.671 175.800 -0.529 0.000 1.102 155 F CA 0.189 57.816 58.000 -0.621 0.000 1.271 155 F CB 1.162 39.347 39.000 -1.358 0.000 1.120 155 F HN 0.300 nan 8.300 nan 0.000 0.579 156 S N 2.256 117.912 115.700 -0.073 0.000 2.632 156 S HA 0.321 4.792 4.470 0.001 0.000 0.271 156 S C 0.558 175.208 174.600 0.083 0.000 1.260 156 S CA -0.627 57.541 58.200 -0.053 0.000 1.010 156 S CB 0.333 63.592 63.200 0.100 0.000 0.965 156 S HN 0.391 nan 8.310 nan 0.000 0.534 157 F N 2.556 122.672 119.950 0.277 0.000 2.769 157 F HA 0.148 4.675 4.527 0.001 0.000 0.304 157 F C 2.065 177.979 175.800 0.190 0.000 1.158 157 F CA 0.580 58.722 58.000 0.236 0.000 1.398 157 F CB -1.171 37.924 39.000 0.159 0.000 1.094 157 F HN 0.887 nan 8.300 nan 0.000 0.553 158 S N -1.767 114.173 115.700 0.401 0.000 1.707 158 S HA -0.320 4.150 4.470 0.001 0.000 0.235 158 S C 0.253 175.132 174.600 0.464 0.000 0.875 158 S CA 0.975 59.429 58.200 0.424 0.000 1.437 158 S CB -2.081 61.344 63.200 0.375 0.000 1.819 158 S HN 0.545 nan 8.310 nan 0.000 0.531 159 H N 1.694 120.918 119.070 0.256 0.000 2.604 159 H HA 0.515 5.072 4.556 0.001 0.000 0.306 159 H C 1.571 176.964 175.328 0.109 0.000 1.075 159 H CA -0.083 56.080 56.048 0.192 0.000 1.357 159 H CB 0.662 30.568 29.762 0.240 0.000 1.426 159 H HN 0.256 nan 8.280 nan 0.000 0.470 160 I N 1.681 122.307 120.570 0.093 0.000 2.194 160 I HA -0.351 3.820 4.170 0.001 0.000 0.246 160 I C 2.011 178.158 176.117 0.050 0.000 1.093 160 I CA 1.125 62.436 61.300 0.017 0.000 1.355 160 I CB -0.160 37.776 38.000 -0.106 0.000 1.046 160 I HN 0.682 nan 8.210 nan 0.000 0.413 161 Q N 0.226 120.056 119.800 0.050 0.000 2.135 161 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 161 Q C 2.359 178.391 176.000 0.053 0.000 0.981 161 Q CA 1.543 57.372 55.803 0.043 0.000 0.856 161 Q CB -0.614 28.155 28.738 0.051 0.000 0.902 161 Q HN 0.443 nan 8.270 nan 0.000 0.425 162 S N 1.184 116.966 115.700 0.137 0.000 2.447 162 S HA -0.086 4.384 4.470 0.001 0.000 0.233 162 S C 1.122 175.847 174.600 0.208 0.000 1.006 162 S CA 0.895 59.162 58.200 0.111 0.000 0.957 162 S CB 0.018 63.324 63.200 0.177 0.000 0.773 162 S HN 0.308 nan 8.310 nan 0.000 0.507 163 D N 1.360 121.923 120.400 0.271 0.000 2.213 163 D HA 0.079 4.720 4.640 0.001 0.000 0.205 163 D C 1.514 177.999 176.300 0.308 0.000 0.961 163 D CA 0.750 54.965 54.000 0.358 0.000 0.853 163 D CB -0.331 40.584 40.800 0.192 0.000 0.967 163 D HN 0.410 nan 8.370 nan 0.000 0.496 164 N N -0.390 118.387 118.700 0.129 0.000 2.395 164 N HA -0.006 4.735 4.740 0.001 0.000 0.175 164 N C 0.752 176.282 175.510 0.034 0.000 1.029 164 N CA 0.367 53.477 53.050 0.100 0.000 0.897 164 N CB 0.463 38.970 38.487 0.033 0.000 0.991 164 N HN 0.283 nan 8.380 nan 0.000 0.441 165 Q N -1.479 118.179 119.800 -0.238 0.000 2.832 165 Q HA 0.251 4.592 4.340 0.001 0.000 0.331 165 Q C -1.091 174.559 176.000 -0.583 0.000 0.833 165 Q CA -0.834 54.731 55.803 -0.397 0.000 0.794 165 Q CB 0.602 29.269 28.738 -0.118 0.000 1.387 165 Q HN -0.104 nan 8.270 nan 0.000 0.508 166 N N -0.431 118.077 118.700 -0.321 0.000 2.721 166 N HA -0.203 4.537 4.740 0.001 0.000 0.249 166 N C 0.084 175.461 175.510 -0.220 0.000 1.072 166 N CA 1.196 54.132 53.050 -0.190 0.000 0.710 166 N CB -1.144 37.278 38.487 -0.108 0.000 0.993 166 N HN 0.715 nan 8.380 nan 0.000 0.547 167 H N -0.492 118.566 119.070 -0.020 0.000 2.518 167 H HA -0.115 4.442 4.556 0.001 0.000 0.289 167 H C 1.817 177.102 175.328 -0.071 0.000 1.051 167 H CA 1.602 57.596 56.048 -0.089 0.000 1.280 167 H CB 0.116 29.856 29.762 -0.036 0.000 1.380 167 H HN 0.756 nan 8.280 nan 0.000 0.566 168 Q N -0.231 119.636 119.800 0.111 0.000 2.364 168 Q HA -0.107 4.233 4.340 0.001 0.000 0.209 168 Q C 2.082 178.214 176.000 0.220 0.000 0.977 168 Q CA 1.326 57.242 55.803 0.188 0.000 0.885 168 Q CB -0.034 28.777 28.738 0.121 0.000 0.941 168 Q HN 0.282 nan 8.270 nan 0.000 0.464 169 M N 0.337 119.984 119.600 0.079 0.000 2.940 169 M HA 0.110 4.590 4.480 0.001 0.000 0.248 169 M C 1.824 178.093 176.300 -0.051 0.000 1.379 169 M CA 1.703 57.053 55.300 0.083 0.000 1.262 169 M CB -0.414 32.201 32.600 0.025 0.000 1.201 169 M HN 0.356 nan 8.290 nan 0.000 0.553 170 S N 1.022 116.571 115.700 -0.252 0.000 2.419 170 S HA -0.093 4.377 4.470 0.001 0.000 0.233 170 S C 1.877 175.824 174.600 -1.087 0.000 1.016 170 S CA 1.024 58.832 58.200 -0.655 0.000 0.974 170 S CB -1.144 61.613 63.200 -0.737 0.000 0.786 170 S HN 0.613 nan 8.310 nan 0.000 0.492 171 L N -0.573 120.140 121.223 -0.850 0.000 2.549 171 L HA 0.048 4.388 4.340 0.001 0.000 0.229 171 L C 0.719 176.852 176.870 -1.229 0.000 1.158 171 L CA 0.802 55.045 54.840 -0.995 0.000 0.842 171 L CB -0.330 41.104 42.059 -1.041 0.000 0.952 171 L HN 0.419 nan 8.230 nan 0.000 0.452 172 Y N -2.956 117.193 120.300 -0.251 0.000 2.719 172 Y HA 0.131 4.682 4.550 0.001 0.000 0.251 172 Y C 1.728 177.487 175.900 -0.235 0.000 1.159 172 Y CA -0.331 57.636 58.100 -0.221 0.000 1.166 172 Y CB -0.156 38.210 38.460 -0.156 0.000 1.219 172 Y HN 0.046 nan 8.280 nan 0.000 0.551 173 S N -0.867 114.672 115.700 -0.268 0.000 2.540 173 S HA 0.743 5.214 4.470 0.001 0.000 0.218 173 S C 0.561 174.912 174.600 -0.415 0.000 0.977 173 S CA 0.226 58.151 58.200 -0.459 0.000 0.918 173 S CB 0.246 63.300 63.200 -0.244 0.000 0.806 173 S HN 0.218 nan 8.310 nan 0.000 0.496 174 A N -0.405 122.268 122.820 -0.244 0.000 2.581 174 A HA 0.903 5.223 4.320 0.001 0.000 0.290 174 A C -0.277 177.062 177.584 -0.409 0.000 1.119 174 A CA -0.428 51.370 52.037 -0.399 0.000 0.670 174 A CB 0.937 19.687 19.000 -0.416 0.000 1.280 174 A HN 0.973 nan 8.150 nan 0.000 0.425 175 G N -0.939 107.405 108.800 -0.759 0.000 2.660 175 G HA2 0.739 4.699 3.960 0.001 0.000 0.290 175 G HA3 0.739 4.699 3.960 0.001 0.000 0.290 175 G C -0.834 173.749 174.900 -0.527 0.000 1.432 175 G CA 0.282 45.059 45.100 -0.538 0.000 0.807 175 G HN 1.547 nan 8.290 nan 0.000 0.485 176 T N -2.129 112.345 114.554 -0.134 0.000 2.887 176 T HA 0.879 5.230 4.350 0.001 0.000 0.288 176 T C -0.178 174.563 174.700 0.069 0.000 1.021 176 T CA -0.232 61.878 62.100 0.017 0.000 1.000 176 T CB 2.020 71.032 68.868 0.240 0.000 1.034 176 T HN 1.845 nan 8.240 nan 0.000 0.467 177 A N 1.448 124.305 122.820 0.063 0.000 2.515 177 A HA 0.794 5.114 4.320 0.001 0.000 0.296 177 A C -1.943 175.682 177.584 0.068 0.000 1.094 177 A CA -0.988 51.091 52.037 0.071 0.000 0.718 177 A CB 1.603 20.622 19.000 0.031 0.000 1.307 177 A HN 0.978 nan 8.150 nan 0.000 0.408 178 Y N 0.720 120.948 120.300 -0.120 0.000 2.462 178 Y HA 0.754 5.304 4.550 0.001 0.000 0.346 178 Y C -0.115 175.667 175.900 -0.196 0.000 0.976 178 Y CA -0.574 57.355 58.100 -0.285 0.000 1.044 178 Y CB 1.578 39.572 38.460 -0.777 0.000 1.230 178 Y HN 0.781 nan 8.280 nan 0.000 0.455 179 R N 4.708 124.553 120.500 -1.091 0.000 2.808 179 R HA 0.396 4.736 4.340 0.001 0.000 0.272 179 R C -2.926 172.657 176.300 -1.195 0.000 0.995 179 R CA -2.405 53.224 56.100 -0.785 0.000 0.917 179 R CB 1.903 31.957 30.300 -0.410 0.000 1.217 179 R HN 0.475 nan 8.270 nan 0.000 0.471 180 P HA -0.120 nan 4.420 nan 0.000 0.255 180 P C 0.382 177.512 177.300 -0.282 0.000 1.151 180 P CA 1.487 64.403 63.100 -0.306 0.000 0.767 180 P CB 0.103 31.734 31.700 -0.115 0.000 0.736 181 G N 2.258 111.005 108.800 -0.089 0.000 2.283 181 G HA2 -0.210 3.750 3.960 0.001 0.000 0.280 181 G HA3 -0.210 3.750 3.960 0.001 0.000 0.280 181 G C -0.351 174.478 174.900 -0.118 0.000 1.029 181 G CA 0.205 45.288 45.100 -0.027 0.000 0.840 181 G HN 0.622 nan 8.290 nan 0.000 0.505 182 L N -0.309 120.760 121.223 -0.257 0.000 2.580 182 L HA 0.675 5.016 4.340 0.001 0.000 0.266 182 L C -0.556 176.227 176.870 -0.144 0.000 0.955 182 L CA -0.856 53.872 54.840 -0.187 0.000 0.886 182 L CB 1.297 43.196 42.059 -0.266 0.000 1.263 182 L HN 0.097 nan 8.230 nan 0.000 0.406 183 I N 3.896 124.522 120.570 0.092 0.000 2.304 183 I HA 0.342 4.512 4.170 0.001 0.000 0.291 183 I C -0.051 176.149 176.117 0.139 0.000 1.018 183 I CA -0.311 61.089 61.300 0.168 0.000 1.260 183 I CB 1.531 39.700 38.000 0.282 0.000 1.390 183 I HN 0.671 nan 8.210 nan 0.000 0.475 184 E N 6.707 126.947 120.200 0.067 0.000 2.146 184 E HA 0.174 4.525 4.350 0.001 0.000 0.282 184 E C -1.562 175.034 176.600 -0.008 0.000 0.989 184 E CA -0.617 55.825 56.400 0.069 0.000 0.799 184 E CB 1.033 30.770 29.700 0.061 0.000 1.088 184 E HN 0.450 nan 8.360 nan 0.000 0.397 185 Y N 4.282 124.392 120.300 -0.316 0.000 2.342 185 Y HA 0.297 4.847 4.550 0.001 0.000 0.338 185 Y C -1.094 174.469 175.900 -0.563 0.000 0.965 185 Y CA -1.041 56.697 58.100 -0.603 0.000 1.159 185 Y CB 1.101 38.795 38.460 -1.276 0.000 1.157 185 Y HN 0.482 nan 8.280 nan 0.000 0.486 186 D N 6.055 125.833 120.400 -1.036 0.000 2.303 186 D HA 0.242 4.883 4.640 0.001 0.000 0.236 186 D C -1.130 174.446 176.300 -1.206 0.000 1.068 186 D CA -0.280 52.985 54.000 -1.225 0.000 0.830 186 D CB 0.903 41.196 40.800 -0.847 0.000 1.109 186 D HN 0.686 nan 8.370 nan 0.000 0.496 187 L N 5.566 126.126 121.223 -1.104 0.000 2.356 187 L HA 0.123 4.463 4.340 0.001 0.000 0.282 187 L C 0.881 177.432 176.870 -0.532 0.000 1.132 187 L CA -0.602 53.801 54.840 -0.728 0.000 0.923 187 L CB 0.144 41.870 42.059 -0.554 0.000 1.278 187 L HN 0.551 nan 8.230 nan 0.000 0.436 188 Y N 2.641 122.543 120.300 -0.664 0.000 2.228 188 Y HA -0.308 4.243 4.550 0.001 0.000 0.285 188 Y C 1.499 177.184 175.900 -0.359 0.000 1.178 188 Y CA 1.793 59.562 58.100 -0.553 0.000 1.202 188 Y CB -0.091 37.996 38.460 -0.621 0.000 0.974 188 Y HN 0.486 nan 8.280 nan 0.000 0.527 189 Y N -1.538 118.665 120.300 -0.162 0.000 2.466 189 Y HA 0.123 4.674 4.550 0.001 0.000 0.272 189 Y C 0.777 176.575 175.900 -0.170 0.000 1.169 189 Y CA -0.236 57.755 58.100 -0.181 0.000 1.285 189 Y CB -0.415 37.975 38.460 -0.117 0.000 1.078 189 Y HN -0.000 nan 8.280 nan 0.000 0.523 190 N N 0.730 119.386 118.700 -0.074 0.000 2.546 190 N HA 0.019 4.759 4.740 0.001 0.000 0.238 190 N C 0.908 176.375 175.510 -0.071 0.000 0.984 190 N CA 0.301 53.316 53.050 -0.059 0.000 0.935 190 N CB 1.016 39.451 38.487 -0.086 0.000 1.122 190 N HN 0.253 nan 8.380 nan 0.000 0.510 191 T N -0.396 114.142 114.554 -0.026 0.000 3.007 191 T HA -0.101 4.250 4.350 0.001 0.000 0.270 191 T C 0.586 175.331 174.700 0.075 0.000 1.107 191 T CA 0.205 62.305 62.100 0.001 0.000 1.118 191 T CB -0.167 68.695 68.868 -0.010 0.000 0.889 191 T HN 0.401 nan 8.240 nan 0.000 0.506 192 D N 1.710 122.164 120.400 0.090 0.000 2.450 192 D HA 0.063 4.704 4.640 0.001 0.000 0.247 192 D C 0.626 177.053 176.300 0.211 0.000 1.162 192 D CA -0.157 53.926 54.000 0.139 0.000 0.879 192 D CB 0.522 41.416 40.800 0.157 0.000 1.163 192 D HN -0.016 nan 8.370 nan 0.000 0.472 193 D N 2.943 123.449 120.400 0.177 0.000 2.263 193 D HA -0.131 4.510 4.640 0.001 0.000 0.208 193 D C 1.169 177.565 176.300 0.161 0.000 0.971 193 D CA 0.610 54.676 54.000 0.110 0.000 0.867 193 D CB -0.038 40.746 40.800 -0.026 0.000 0.929 193 D HN 0.481 nan 8.370 nan 0.000 0.492 194 F N 1.363 121.358 119.950 0.075 0.000 2.204 194 F HA 0.095 4.623 4.527 0.001 0.000 0.276 194 F C 2.120 177.988 175.800 0.113 0.000 1.085 194 F CA 0.903 58.942 58.000 0.066 0.000 1.160 194 F CB -0.252 38.763 39.000 0.025 0.000 1.091 194 F HN -0.240 nan 8.300 nan 0.000 0.522 195 E N -0.170 119.968 120.200 -0.104 0.000 2.204 195 E HA -0.080 4.271 4.350 0.001 0.000 0.195 195 E C 1.833 178.378 176.600 -0.091 0.000 0.990 195 E CA 0.806 57.102 56.400 -0.173 0.000 0.821 195 E CB -0.499 29.275 29.700 0.124 0.000 0.750 195 E HN 0.544 nan 8.360 nan 0.000 0.477 196 G N -0.122 108.668 108.800 -0.016 0.000 3.262 196 G HA2 0.117 4.077 3.960 0.001 0.000 0.228 196 G HA3 0.117 4.077 3.960 0.001 0.000 0.228 196 G C -0.280 174.364 174.900 -0.427 0.000 1.197 196 G CA -0.122 44.873 45.100 -0.176 0.000 0.819 196 G HN -0.039 nan 8.290 nan 0.000 0.531 197 F N -0.715 119.033 119.950 -0.337 0.000 2.581 197 F HA 0.581 5.108 4.527 0.001 0.000 0.311 197 F C -0.944 174.790 175.800 -0.111 0.000 1.113 197 F CA -1.277 56.553 58.000 -0.283 0.000 0.935 197 F CB 1.821 40.744 39.000 -0.129 0.000 1.232 197 F HN -0.097 nan 8.300 nan 0.000 0.445 198 Y N 1.621 121.965 120.300 0.073 0.000 2.659 198 Y HA 0.725 5.275 4.550 0.001 0.000 0.333 198 Y C -0.608 175.297 175.900 0.008 0.000 1.064 198 Y CA -2.123 55.972 58.100 -0.009 0.000 1.141 198 Y CB 1.557 39.995 38.460 -0.038 0.000 1.316 198 Y HN 0.533 nan 8.280 nan 0.000 0.509 199 Y N -0.850 119.569 120.300 0.198 0.000 2.677 199 Y HA 0.694 5.245 4.550 0.001 0.000 0.334 199 Y C -2.538 173.502 175.900 0.233 0.000 1.196 199 Y CA -1.618 56.563 58.100 0.135 0.000 1.059 199 Y CB 1.276 39.771 38.460 0.057 0.000 1.315 199 Y HN 0.529 nan 8.280 nan 0.000 0.455 200 L N 2.970 124.445 121.223 0.419 0.000 2.441 200 L HA 0.926 5.266 4.340 0.001 0.000 0.270 200 L C -1.238 175.736 176.870 0.173 0.000 0.973 200 L CA -0.363 54.564 54.840 0.145 0.000 0.842 200 L CB 0.995 43.046 42.059 -0.013 0.000 1.239 200 L HN 1.171 nan 8.230 nan 0.000 0.406 201 A N 3.549 126.453 122.820 0.140 0.000 2.387 201 A HA 0.945 5.266 4.320 0.001 0.000 0.303 201 A C -0.649 176.910 177.584 -0.041 0.000 1.145 201 A CA -0.237 51.827 52.037 0.044 0.000 0.801 201 A CB 1.822 20.829 19.000 0.011 0.000 1.342 201 A HN 0.840 nan 8.150 nan 0.000 0.440 202 S N -1.344 114.249 115.700 -0.179 0.000 2.541 202 S HA 0.495 4.966 4.470 0.001 0.000 0.280 202 S C 0.501 174.853 174.600 -0.415 0.000 1.112 202 S CA 0.217 58.121 58.200 -0.492 0.000 0.925 202 S CB 1.127 63.632 63.200 -1.158 0.000 1.067 202 S HN 1.427 nan 8.310 nan 0.000 0.479 203 T N -0.331 114.033 114.554 -0.317 0.000 2.995 203 T HA 0.099 4.449 4.350 0.001 0.000 0.269 203 T C 0.624 175.304 174.700 -0.034 0.000 1.091 203 T CA 0.439 62.488 62.100 -0.086 0.000 1.128 203 T CB -0.930 67.973 68.868 0.059 0.000 0.891 203 T HN 0.721 nan 8.240 nan 0.000 0.492 204 F N 1.309 121.258 119.950 -0.002 0.000 2.370 204 F HA 0.670 5.197 4.527 0.001 0.000 0.319 204 F C -0.390 175.386 175.800 -0.041 0.000 1.129 204 F CA -2.572 55.408 58.000 -0.033 0.000 1.109 204 F CB 0.199 39.130 39.000 -0.115 0.000 1.262 204 F HN -0.201 nan 8.300 nan 0.000 0.534 205 D N 2.921 123.524 120.400 0.338 0.000 2.347 205 D HA 0.267 4.907 4.640 0.001 0.000 0.235 205 D C -2.404 174.062 176.300 0.277 0.000 1.149 205 D CA -1.081 53.057 54.000 0.231 0.000 0.850 205 D CB 0.950 41.815 40.800 0.108 0.000 1.061 205 D HN 0.284 nan 8.370 nan 0.000 0.487 206 P HA -0.020 nan 4.420 nan 0.000 0.267 206 P C 0.393 177.699 177.300 0.010 0.000 1.201 206 P CA 0.022 63.287 63.100 0.276 0.000 0.775 206 P CB 0.997 32.944 31.700 0.412 0.000 0.854 207 D N -0.723 119.552 120.400 -0.209 0.000 2.338 207 D HA 0.037 4.678 4.640 0.001 0.000 0.208 207 D C 0.569 176.842 176.300 -0.045 0.000 0.997 207 D CA 0.962 54.830 54.000 -0.219 0.000 0.880 207 D CB 0.279 40.787 40.800 -0.486 0.000 0.980 207 D HN 0.467 nan 8.370 nan 0.000 0.509 208 S N -0.913 114.813 115.700 0.043 0.000 2.611 208 S HA 0.594 5.064 4.470 0.001 0.000 0.268 208 S C -1.380 173.315 174.600 0.159 0.000 1.156 208 S CA -1.031 57.211 58.200 0.070 0.000 0.817 208 S CB 1.697 64.979 63.200 0.136 0.000 1.122 208 S HN 0.161 nan 8.310 nan 0.000 0.466 209 Y N -1.204 119.086 120.300 -0.017 0.000 2.670 209 Y HA 0.887 5.438 4.550 0.001 0.000 0.334 209 Y C -2.037 173.892 175.900 0.048 0.000 1.185 209 Y CA -0.938 57.159 58.100 -0.006 0.000 1.053 209 Y CB 1.095 39.395 38.460 -0.266 0.000 1.298 209 Y HN 0.651 nan 8.280 nan 0.000 0.459 210 D N -0.088 120.515 120.400 0.338 0.000 2.970 210 D HA 0.408 5.048 4.640 0.001 0.000 0.230 210 D C -0.102 176.385 176.300 0.311 0.000 1.276 210 D CA -0.207 53.959 54.000 0.277 0.000 0.910 210 D CB 2.155 43.133 40.800 0.297 0.000 1.590 210 D HN 1.002 nan 8.370 nan 0.000 0.551 211 G N 1.288 110.294 108.800 0.344 0.000 2.944 211 G HA2 -0.023 3.937 3.960 0.001 0.000 0.220 211 G HA3 -0.023 3.937 3.960 0.001 0.000 0.220 211 G C 0.401 175.499 174.900 0.330 0.000 1.100 211 G CA 0.028 45.340 45.100 0.353 0.000 0.780 211 G HN 0.177 nan 8.290 nan 0.000 0.539 212 Q N 0.601 120.552 119.800 0.251 0.000 2.314 212 Q HA 0.311 4.652 4.340 0.001 0.000 0.259 212 Q C 0.780 176.885 176.000 0.175 0.000 0.951 212 Q CA -0.512 55.394 55.803 0.172 0.000 0.909 212 Q CB 2.262 31.075 28.738 0.125 0.000 1.236 212 Q HN 0.309 nan 8.270 nan 0.000 0.444 213 R N 2.724 123.315 120.500 0.153 0.000 2.091 213 R HA -0.173 4.167 4.340 0.001 0.000 0.238 213 R C 0.386 176.774 176.300 0.146 0.000 1.136 213 R CA 1.808 58.036 56.100 0.213 0.000 0.959 213 R CB 0.361 30.760 30.300 0.165 0.000 0.856 213 R HN 0.594 nan 8.270 nan 0.000 0.437 214 D N -0.149 120.280 120.400 0.049 0.000 2.218 214 D HA -0.147 4.493 4.640 0.001 0.000 0.204 214 D C 1.915 178.198 176.300 -0.030 0.000 0.976 214 D CA 0.821 54.806 54.000 -0.026 0.000 0.853 214 D CB -0.049 40.699 40.800 -0.087 0.000 0.939 214 D HN 0.213 nan 8.370 nan 0.000 0.481 215 R N -0.229 120.285 120.500 0.024 0.000 2.080 215 R HA 0.002 4.343 4.340 0.001 0.000 0.222 215 R C 2.183 178.489 176.300 0.009 0.000 1.107 215 R CA 0.135 56.239 56.100 0.007 0.000 0.980 215 R CB -0.858 29.464 30.300 0.037 0.000 0.879 215 R HN 0.227 nan 8.270 nan 0.000 0.439 216 F N 1.729 121.650 119.950 -0.047 0.000 2.084 216 F HA -0.109 4.418 4.527 0.001 0.000 0.296 216 F C 2.096 177.766 175.800 -0.216 0.000 1.111 216 F CA 1.424 59.370 58.000 -0.091 0.000 1.224 216 F CB -0.329 38.695 39.000 0.040 0.000 0.991 216 F HN -0.142 nan 8.300 nan 0.000 0.471 217 L N -0.248 120.880 121.223 -0.158 0.000 2.072 217 L HA 0.153 4.493 4.340 0.001 0.000 0.205 217 L C 1.324 178.009 176.870 -0.308 0.000 1.079 217 L CA 0.662 55.303 54.840 -0.332 0.000 0.752 217 L CB -1.399 40.559 42.059 -0.168 0.000 0.906 217 L HN 0.430 nan 8.230 nan 0.000 0.436 218 G N 0.089 108.768 108.800 -0.202 0.000 2.707 218 G HA2 -0.197 3.764 3.960 0.001 0.000 0.686 218 G HA3 -0.197 3.764 3.960 0.001 0.000 0.686 218 G C -1.073 173.729 174.900 -0.164 0.000 1.315 218 G CA -0.726 44.265 45.100 -0.181 0.000 0.832 218 G HN 0.014 nan 8.290 nan 0.000 0.573 219 L N 0.616 121.754 121.223 -0.142 0.000 2.410 219 L HA 0.567 4.908 4.340 0.001 0.000 0.273 219 L C 0.905 177.728 176.870 -0.078 0.000 1.152 219 L CA 0.476 55.206 54.840 -0.183 0.000 0.855 219 L CB -0.561 41.434 42.059 -0.106 0.000 1.129 219 L HN 1.135 nan 8.230 nan 0.000 0.463 220 Y N 2.981 123.234 120.300 -0.078 0.000 3.389 220 Y HA -0.290 4.260 4.550 0.001 0.000 0.213 220 Y C 0.533 176.381 175.900 -0.088 0.000 1.272 220 Y CA 0.832 58.889 58.100 -0.072 0.000 1.444 220 Y CB -1.593 36.831 38.460 -0.060 0.000 1.445 220 Y HN 0.602 nan 8.280 nan 0.000 0.583 221 R N -0.080 120.396 120.500 -0.039 0.000 2.855 221 R HA 0.649 4.990 4.340 0.001 0.000 0.266 221 R C -0.615 175.609 176.300 -0.126 0.000 1.034 221 R CA -0.527 55.517 56.100 -0.093 0.000 0.944 221 R CB 1.925 32.129 30.300 -0.160 0.000 1.219 221 R HN 0.144 nan 8.270 nan 0.000 0.474 222 D N -1.007 119.298 120.400 -0.158 0.000 2.867 222 D HA 0.124 4.764 4.640 0.001 0.000 0.308 222 D C 0.090 176.245 176.300 -0.240 0.000 1.202 222 D CA -0.710 53.191 54.000 -0.167 0.000 1.035 222 D CB 0.058 40.785 40.800 -0.123 0.000 1.427 222 D HN 0.352 nan 8.370 nan 0.000 0.570 223 E N -0.482 119.585 120.200 -0.221 0.000 2.273 223 E HA -0.040 4.311 4.350 0.001 0.000 0.198 223 E C 1.751 178.218 176.600 -0.222 0.000 1.002 223 E CA 1.674 57.935 56.400 -0.232 0.000 0.828 223 E CB -0.409 29.232 29.700 -0.099 0.000 0.747 223 E HN 0.484 nan 8.360 nan 0.000 0.491 224 A N 1.583 124.243 122.820 -0.266 0.000 2.014 224 A HA -0.080 4.240 4.320 0.001 0.000 0.218 224 A C 0.898 178.417 177.584 -0.109 0.000 1.163 224 A CA 1.141 53.037 52.037 -0.235 0.000 0.652 224 A CB -0.095 18.723 19.000 -0.303 0.000 0.808 224 A HN 0.332 nan 8.150 nan 0.000 0.449 225 N N -1.445 117.143 118.700 -0.186 0.000 2.673 225 N HA 0.260 5.000 4.740 0.001 0.000 0.265 225 N C -3.572 171.681 175.510 -0.428 0.000 1.709 225 N CA -1.634 51.307 53.050 -0.181 0.000 0.792 225 N CB -0.169 38.288 38.487 -0.049 0.000 1.286 225 N HN -0.088 nan 8.380 nan 0.000 0.506 226 P HA -0.006 nan 4.420 nan 0.000 0.265 226 P C 1.309 178.081 177.300 -0.880 0.000 1.193 226 P CA -0.486 62.044 63.100 -0.951 0.000 0.765 226 P CB 0.987 31.753 31.700 -1.556 0.000 0.823 227 L N 4.963 125.775 121.223 -0.685 0.000 2.046 227 L HA -0.189 4.151 4.340 0.001 0.000 0.208 227 L C 2.111 178.613 176.870 -0.613 0.000 1.077 227 L CA 2.393 56.924 54.840 -0.515 0.000 0.747 227 L CB -1.482 40.366 42.059 -0.353 0.000 0.896 227 L HN 0.417 nan 8.230 nan 0.000 0.432 228 A N -1.048 121.290 122.820 -0.803 0.000 1.883 228 A HA -0.171 4.149 4.320 0.001 0.000 0.217 228 A C 2.253 179.249 177.584 -0.980 0.000 1.186 228 A CA 2.231 53.827 52.037 -0.734 0.000 0.624 228 A CB -1.176 17.413 19.000 -0.685 0.000 0.822 228 A HN 0.327 nan 8.150 nan 0.000 0.444 229 V N -0.014 119.042 119.914 -1.430 0.000 2.358 229 V HA -0.253 3.868 4.120 0.001 0.000 0.246 229 V C 2.523 177.988 176.094 -1.049 0.000 1.047 229 V CA 2.241 63.564 62.300 -1.629 0.000 1.035 229 V CB -0.743 30.051 31.823 -1.715 0.000 0.658 229 V HN 0.782 nan 8.190 nan 0.000 0.452 230 E N 0.725 120.388 120.200 -0.894 0.000 2.077 230 E HA -0.291 4.060 4.350 0.001 0.000 0.193 230 E C 2.234 178.694 176.600 -0.233 0.000 0.989 230 E CA 1.592 57.734 56.400 -0.430 0.000 0.800 230 E CB -0.050 29.494 29.700 -0.259 0.000 0.746 230 E HN 0.859 nan 8.360 nan 0.000 0.452 231 Q N -1.052 118.577 119.800 -0.284 0.000 2.432 231 Q HA 0.109 4.449 4.340 0.001 0.000 0.205 231 Q C 1.163 177.090 176.000 -0.120 0.000 0.945 231 Q CA 0.687 56.390 55.803 -0.166 0.000 0.924 231 Q CB 0.437 29.077 28.738 -0.163 0.000 1.016 231 Q HN 0.279 nan 8.270 nan 0.000 0.503 232 G N 1.126 109.825 108.800 -0.168 0.000 2.137 232 G HA2 -0.307 3.654 3.960 0.001 0.000 0.237 232 G HA3 -0.307 3.654 3.960 0.001 0.000 0.237 232 G C -0.181 174.729 174.900 0.016 0.000 1.002 232 G CA 0.268 45.369 45.100 0.002 0.000 0.702 232 G HN 0.445 nan 8.290 nan 0.000 0.515 233 R N -1.478 118.991 120.500 -0.051 0.000 2.728 233 R HA 0.439 4.780 4.340 0.001 0.000 0.259 233 R C -0.109 176.194 176.300 0.005 0.000 1.057 233 R CA -0.269 55.810 56.100 -0.034 0.000 0.908 233 R CB 0.174 30.471 30.300 -0.006 0.000 1.259 233 R HN 0.266 nan 8.270 nan 0.000 0.472 234 C N 0.673 120.033 119.300 0.100 0.000 2.470 234 C HA 0.331 4.791 4.460 0.001 0.000 0.350 234 C C 1.527 176.492 174.990 -0.041 0.000 1.341 234 C CA -0.388 58.684 59.018 0.089 0.000 2.440 234 C CB 1.491 29.344 27.740 0.187 0.000 2.295 234 C HN 0.861 nan 8.230 nan 0.000 0.645 235 S N 1.159 116.820 115.700 -0.066 0.000 2.557 235 S HA 0.047 4.518 4.470 0.001 0.000 0.223 235 S C 0.304 174.773 174.600 -0.219 0.000 0.969 235 S CA 0.044 58.176 58.200 -0.113 0.000 0.927 235 S CB -0.485 62.673 63.200 -0.069 0.000 0.806 235 S HN 0.785 nan 8.310 nan 0.000 0.489 236 N N 2.427 120.868 118.700 -0.431 0.000 2.740 236 N HA -0.131 4.610 4.740 0.001 0.000 0.248 236 N C -0.246 174.993 175.510 -0.452 0.000 1.062 236 N CA 0.984 53.432 53.050 -1.004 0.000 0.704 236 N CB -1.733 36.250 38.487 -0.839 0.000 0.968 236 N HN 0.652 nan 8.380 nan 0.000 0.547 237 S N -0.801 114.827 115.700 -0.118 0.000 2.586 237 S HA 0.795 5.266 4.470 0.001 0.000 0.274 237 S C 0.314 175.090 174.600 0.294 0.000 1.281 237 S CA -0.041 58.218 58.200 0.099 0.000 1.035 237 S CB 2.718 65.978 63.200 0.101 0.000 0.962 237 S HN 0.732 nan 8.310 nan 0.000 0.512 238 A N 2.309 125.290 122.820 0.269 0.000 2.534 238 A HA 0.625 4.946 4.320 0.001 0.000 0.300 238 A C -0.774 176.939 177.584 0.216 0.000 1.054 238 A CA -0.783 51.429 52.037 0.292 0.000 0.858 238 A CB 0.771 19.971 19.000 0.334 0.000 1.333 238 A HN 1.241 nan 8.150 nan 0.000 0.391 239 Q N -0.074 119.861 119.800 0.226 0.000 2.841 239 Q HA 0.742 5.082 4.340 0.001 0.000 0.309 239 Q C -0.653 175.464 176.000 0.195 0.000 0.868 239 Q CA -0.495 55.412 55.803 0.173 0.000 0.760 239 Q CB 0.873 29.715 28.738 0.172 0.000 1.454 239 Q HN 1.195 nan 8.270 nan 0.000 0.449 240 T N -1.314 113.304 114.554 0.106 0.000 2.907 240 T HA 0.715 5.066 4.350 0.001 0.000 0.284 240 T C 0.073 174.839 174.700 0.109 0.000 1.004 240 T CA 0.226 62.355 62.100 0.048 0.000 1.063 240 T CB 0.675 69.459 68.868 -0.141 0.000 0.992 240 T HN 1.098 nan 8.240 nan 0.000 0.483 241 C N 0.690 120.057 119.300 0.111 0.000 0.168 241 C HA 0.031 4.492 4.460 0.001 0.000 0.017 241 C C 0.114 174.995 174.990 -0.182 0.000 0.171 241 C CA -0.583 58.361 59.018 -0.124 0.000 0.499 241 C CB -2.560 24.988 27.740 -0.321 0.000 3.212 241 C HN 1.349 nan 8.230 nan 0.000 1.118 242 Y N -1.512 118.741 120.300 -0.078 0.000 2.618 242 Y HA -0.208 4.343 4.550 0.001 0.000 0.347 242 Y C 0.584 176.392 175.900 -0.153 0.000 1.280 242 Y CA 0.588 58.613 58.100 -0.125 0.000 1.511 242 Y CB -0.616 37.783 38.460 -0.102 0.000 2.396 242 Y HN 0.866 nan 8.280 nan 0.000 0.434 243 N N 1.563 120.299 118.700 0.060 0.000 2.455 243 N HA 0.265 5.005 4.740 0.001 0.000 0.280 243 N C -1.159 174.251 175.510 -0.165 0.000 1.055 243 N CA -0.357 52.695 53.050 0.004 0.000 0.961 243 N CB 0.747 39.273 38.487 0.065 0.000 1.121 243 N HN 0.376 nan 8.380 nan 0.000 0.476 244 H N -0.362 118.812 119.070 0.173 0.000 2.533 244 H HA 0.575 5.132 4.556 0.001 0.000 0.343 244 H C 0.215 175.596 175.328 0.089 0.000 1.160 244 H CA -0.666 55.509 56.048 0.212 0.000 1.218 244 H CB 1.200 31.191 29.762 0.383 0.000 1.566 244 H HN 0.658 nan 8.280 nan 0.000 0.522 245 C N -0.248 119.185 119.300 0.222 0.000 3.236 245 C HA 0.903 5.363 4.460 0.001 0.000 0.312 245 C C 0.521 175.451 174.990 -0.098 0.000 1.374 245 C CA -0.925 57.983 59.018 -0.184 0.000 1.455 245 C CB 1.028 28.667 27.740 -0.169 0.000 1.834 245 C HN 1.011 nan 8.230 nan 0.000 0.460 246 G N 1.406 109.902 108.800 -0.508 0.000 3.039 246 G HA2 0.568 4.529 3.960 0.001 0.000 0.329 246 G HA3 0.568 4.529 3.960 0.001 0.000 0.329 246 G C -0.675 174.053 174.900 -0.287 0.000 1.361 246 G CA -0.098 44.862 45.100 -0.233 0.000 1.088 246 G HN 0.878 nan 8.290 nan 0.000 0.501 247 S N 1.760 117.377 115.700 -0.138 0.000 2.530 247 S HA 0.572 5.043 4.470 0.001 0.000 0.322 247 S C -0.319 174.364 174.600 0.138 0.000 1.085 247 S CA -0.470 57.645 58.200 -0.142 0.000 1.096 247 S CB 1.258 64.168 63.200 -0.483 0.000 0.988 247 S HN 0.439 nan 8.310 nan 0.000 0.466 248 L N 4.119 125.464 121.223 0.203 0.000 2.356 248 L HA 0.530 4.870 4.340 0.001 0.000 0.277 248 L C -0.086 177.125 176.870 0.569 0.000 0.996 248 L CA -0.636 54.453 54.840 0.415 0.000 0.822 248 L CB 1.568 43.874 42.059 0.412 0.000 1.256 248 L HN 0.692 nan 8.230 nan 0.000 0.413 249 H N 3.760 122.997 119.070 0.277 0.000 2.524 249 H HA 0.581 5.137 4.556 0.001 0.000 0.353 249 H C -1.504 173.581 175.328 -0.404 0.000 1.136 249 H CA -0.906 55.051 56.048 -0.151 0.000 1.193 249 H CB 2.491 32.017 29.762 -0.393 0.000 1.558 249 H HN 0.444 nan 8.280 nan 0.000 0.515 250 K N 3.066 122.662 120.400 -1.340 0.000 2.535 250 K HA 0.150 4.471 4.320 0.001 0.000 0.251 250 K C -1.555 174.111 176.600 -1.557 0.000 0.942 250 K CA -0.625 54.616 56.287 -1.743 0.000 0.798 250 K CB 2.070 33.001 32.500 -2.615 0.000 1.267 250 K HN 0.730 nan 8.250 nan 0.000 0.434 251 Q N 3.772 122.816 119.800 -1.261 0.000 2.241 251 Q HA 0.497 4.838 4.340 0.001 0.000 0.254 251 Q C -1.228 174.257 176.000 -0.858 0.000 0.917 251 Q CA -0.546 54.810 55.803 -0.745 0.000 0.919 251 Q CB 0.651 29.174 28.738 -0.357 0.000 1.237 251 Q HN 0.500 nan 8.270 nan 0.000 0.434 252 F N 0.736 120.595 119.950 -0.151 0.000 2.532 252 F HA 0.400 4.927 4.527 0.001 0.000 0.321 252 F C -0.108 175.680 175.800 -0.020 0.000 1.089 252 F CA -0.699 57.243 58.000 -0.095 0.000 0.926 252 F CB 2.488 41.450 39.000 -0.064 0.000 1.168 252 F HN 0.308 nan 8.300 nan 0.000 0.459 253 T N 4.409 119.072 114.554 0.182 0.000 2.772 253 T HA 0.636 4.987 4.350 0.001 0.000 0.288 253 T C -0.564 174.211 174.700 0.126 0.000 0.994 253 T CA -0.474 61.698 62.100 0.121 0.000 0.951 253 T CB 0.381 69.292 68.868 0.071 0.000 0.933 253 T HN 0.307 nan 8.240 nan 0.000 0.447 254 L N 3.701 124.995 121.223 0.118 0.000 2.325 254 L HA 0.446 4.786 4.340 0.001 0.000 0.281 254 L C 0.285 177.200 176.870 0.075 0.000 1.004 254 L CA -1.201 53.698 54.840 0.097 0.000 0.823 254 L CB 1.549 43.674 42.059 0.109 0.000 1.236 254 L HN 0.366 nan 8.230 nan 0.000 0.415 255 Q N 2.701 122.536 119.800 0.060 0.000 2.417 255 Q HA 0.281 4.622 4.340 0.001 0.000 0.241 255 Q C -2.267 173.760 176.000 0.045 0.000 1.008 255 Q CA -1.957 53.874 55.803 0.047 0.000 0.901 255 Q CB 0.252 29.013 28.738 0.038 0.000 1.259 255 Q HN 0.269 nan 8.270 nan 0.000 0.489 256 P HA -0.025 nan 4.420 nan 0.000 0.261 256 P C 0.536 177.854 177.300 0.029 0.000 1.183 256 P CA 1.355 64.474 63.100 0.032 0.000 0.761 256 P CB 0.220 31.933 31.700 0.023 0.000 0.785 257 G N 1.882 110.701 108.800 0.031 0.000 2.205 257 G HA2 -0.297 3.664 3.960 0.001 0.000 0.261 257 G HA3 -0.297 3.664 3.960 0.001 0.000 0.261 257 G C 0.259 175.177 174.900 0.030 0.000 0.980 257 G CA 0.149 45.264 45.100 0.025 0.000 0.632 257 G HN 0.632 nan 8.290 nan 0.000 0.533 258 E N 1.271 121.495 120.200 0.038 0.000 2.366 258 E HA 0.503 4.854 4.350 0.001 0.000 0.266 258 E C 0.385 177.013 176.600 0.045 0.000 1.051 258 E CA -0.021 56.402 56.400 0.039 0.000 0.884 258 E CB 0.284 30.009 29.700 0.042 0.000 1.006 258 E HN 0.640 nan 8.360 nan 0.000 0.417 259 E N 4.133 124.354 120.200 0.035 0.000 2.317 259 E HA 0.541 4.891 4.350 0.001 0.000 0.270 259 E C -0.476 176.127 176.600 0.005 0.000 0.885 259 E CA -0.925 55.495 56.400 0.034 0.000 0.760 259 E CB 1.457 31.185 29.700 0.046 0.000 1.227 259 E HN 0.533 nan 8.360 nan 0.000 0.434 260 I N -1.467 119.087 120.570 -0.027 0.000 2.892 260 I HA 0.718 4.889 4.170 0.001 0.000 0.306 260 I C -0.792 175.293 176.117 -0.053 0.000 1.078 260 I CA -1.291 59.971 61.300 -0.063 0.000 1.032 260 I CB 2.378 40.249 38.000 -0.215 0.000 1.229 260 I HN 0.591 nan 8.210 nan 0.000 0.435 261 R N 3.218 123.712 120.500 -0.010 0.000 2.604 261 R HA 0.734 5.075 4.340 0.001 0.000 0.281 261 R C -1.976 174.378 176.300 0.090 0.000 1.020 261 R CA -0.431 55.638 56.100 -0.051 0.000 0.899 261 R CB 2.114 32.389 30.300 -0.041 0.000 1.205 261 R HN 0.811 nan 8.270 nan 0.000 0.450 262 F N 0.458 120.394 119.950 -0.023 0.000 2.817 262 F HA 0.871 5.398 4.527 0.001 0.000 0.317 262 F C -1.934 173.842 175.800 -0.039 0.000 1.168 262 F CA -0.994 57.009 58.000 0.004 0.000 0.911 262 F CB 1.127 40.197 39.000 0.117 0.000 1.337 262 F HN 0.584 nan 8.300 nan 0.000 0.464 263 A N 0.404 123.284 122.820 0.099 0.000 2.539 263 A HA 0.808 5.128 4.320 0.001 0.000 0.296 263 A C -2.449 175.054 177.584 -0.134 0.000 1.073 263 A CA -0.723 51.286 52.037 -0.046 0.000 0.700 263 A CB 1.202 20.180 19.000 -0.037 0.000 1.296 263 A HN 0.739 nan 8.150 nan 0.000 0.405 264 Y N -0.217 120.053 120.300 -0.049 0.000 2.487 264 Y HA 0.712 5.263 4.550 0.001 0.000 0.337 264 Y C -0.309 175.305 175.900 -0.477 0.000 1.076 264 Y CA -0.702 57.182 58.100 -0.360 0.000 1.115 264 Y CB 1.927 39.970 38.460 -0.695 0.000 1.235 264 Y HN 0.471 nan 8.280 nan 0.000 0.468 265 I N 3.443 123.863 120.570 -0.250 0.000 2.512 265 I HA 0.275 4.445 4.170 0.001 0.000 0.287 265 I C -1.398 174.586 176.117 -0.222 0.000 1.069 265 I CA -0.524 60.675 61.300 -0.168 0.000 1.056 265 I CB 1.740 39.814 38.000 0.123 0.000 1.229 265 I HN 0.317 nan 8.210 nan 0.000 0.429 266 L N 6.513 127.534 121.223 -0.337 0.000 2.272 266 L HA 0.992 5.333 4.340 0.001 0.000 0.289 266 L C 0.069 176.603 176.870 -0.561 0.000 1.032 266 L CA 0.524 55.136 54.840 -0.381 0.000 0.810 266 L CB 0.759 42.695 42.059 -0.204 0.000 1.205 266 L HN 0.711 nan 8.230 nan 0.000 0.422 267 G N 4.802 112.959 108.800 -1.072 0.000 2.721 267 G HA2 0.609 4.570 3.960 0.001 0.000 0.296 267 G HA3 0.609 4.570 3.960 0.001 0.000 0.296 267 G C -1.585 172.900 174.900 -0.691 0.000 1.383 267 G CA -0.732 43.766 45.100 -1.004 0.000 0.788 267 G HN 0.586 nan 8.290 nan 0.000 0.500 268 I N 0.080 120.544 120.570 -0.176 0.000 2.646 268 I HA 0.693 4.863 4.170 0.001 0.000 0.299 268 I C 0.436 176.584 176.117 0.051 0.000 1.036 268 I CA -0.326 60.958 61.300 -0.027 0.000 1.074 268 I CB 2.066 39.904 38.000 -0.270 0.000 1.258 268 I HN 1.259 nan 8.210 nan 0.000 0.430 269 G N 3.807 112.618 108.800 0.018 0.000 2.895 269 G HA2 -0.128 3.832 3.960 0.001 0.000 0.686 269 G HA3 -0.128 3.832 3.960 0.001 0.000 0.686 269 G C -0.871 174.109 174.900 0.133 0.000 1.108 269 G CA -0.966 44.208 45.100 0.122 0.000 0.761 269 G HN 0.604 nan 8.290 nan 0.000 0.611 270 K N 0.772 121.122 120.400 -0.082 0.000 2.380 270 K HA 0.449 4.770 4.320 0.001 0.000 0.267 270 K C 1.674 178.178 176.600 -0.160 0.000 0.990 270 K CA 0.935 57.058 56.287 -0.273 0.000 0.946 270 K CB 0.805 32.957 32.500 -0.580 0.000 0.937 270 K HN 2.126 nan 8.250 nan 0.000 0.491 271 G N 1.855 110.533 108.800 -0.204 0.000 2.396 271 G HA2 -0.335 3.626 3.960 0.001 0.000 0.242 271 G HA3 -0.335 3.626 3.960 0.001 0.000 0.242 271 G C 0.905 175.688 174.900 -0.195 0.000 1.069 271 G CA 0.363 45.356 45.100 -0.178 0.000 0.633 271 G HN 0.671 nan 8.290 nan 0.000 0.517 272 N N 1.512 120.111 118.700 -0.168 0.000 2.188 272 N HA -0.049 4.692 4.740 0.001 0.000 0.184 272 N C 2.321 177.565 175.510 -0.443 0.000 1.018 272 N CA 1.860 54.809 53.050 -0.169 0.000 0.858 272 N CB -0.832 37.703 38.487 0.079 0.000 0.989 272 N HN 0.618 nan 8.380 nan 0.000 0.426 273 G N 1.391 109.600 108.800 -0.985 0.000 2.433 273 G HA2 -0.245 3.716 3.960 0.001 0.000 0.216 273 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 273 G C 1.478 176.061 174.900 -0.528 0.000 1.186 273 G CA 0.771 45.098 45.100 -1.289 0.000 0.779 273 G HN 0.296 nan 8.290 nan 0.000 0.543 274 E N -0.230 119.735 120.200 -0.392 0.000 2.110 274 E HA -0.056 4.295 4.350 0.001 0.000 0.193 274 E C 2.394 178.876 176.600 -0.197 0.000 0.988 274 E CA 0.982 57.231 56.400 -0.251 0.000 0.804 274 E CB -0.143 29.429 29.700 -0.212 0.000 0.745 274 E HN 0.477 nan 8.360 nan 0.000 0.458 275 R N 0.497 120.875 120.500 -0.204 0.000 2.062 275 R HA -0.065 4.276 4.340 0.001 0.000 0.231 275 R C 2.135 178.335 176.300 -0.167 0.000 1.136 275 R CA 1.142 57.142 56.100 -0.166 0.000 0.948 275 R CB -0.264 29.937 30.300 -0.166 0.000 0.845 275 R HN 0.174 nan 8.270 nan 0.000 0.430 276 L N 1.142 122.256 121.223 -0.182 0.000 2.141 276 L HA -0.130 4.210 4.340 0.001 0.000 0.209 276 L C 2.766 179.584 176.870 -0.086 0.000 1.094 276 L CA 1.522 56.251 54.840 -0.186 0.000 0.763 276 L CB -0.525 41.528 42.059 -0.011 0.000 0.908 276 L HN 0.347 nan 8.230 nan 0.000 0.437 277 R N 0.479 120.947 120.500 -0.053 0.000 2.120 277 R HA -0.214 4.127 4.340 0.001 0.000 0.234 277 R C 1.934 178.224 176.300 -0.018 0.000 1.123 277 R CA 1.718 57.812 56.100 -0.011 0.000 0.975 277 R CB -0.459 29.794 30.300 -0.078 0.000 0.866 277 R HN 0.403 nan 8.270 nan 0.000 0.446 278 E N 0.249 120.415 120.200 -0.056 0.000 2.076 278 E HA -0.230 4.120 4.350 0.001 0.000 0.190 278 E C 1.859 178.436 176.600 -0.038 0.000 0.979 278 E CA 0.944 57.319 56.400 -0.042 0.000 0.807 278 E CB -0.100 29.568 29.700 -0.053 0.000 0.761 278 E HN 0.522 nan 8.360 nan 0.000 0.454 279 H N -0.684 118.258 119.070 -0.213 0.000 2.319 279 H HA -0.178 4.378 4.556 0.001 0.000 0.299 279 H C 1.072 176.262 175.328 -0.231 0.000 1.092 279 H CA 2.170 58.040 56.048 -0.296 0.000 1.302 279 H CB -0.193 29.248 29.762 -0.535 0.000 1.373 279 H HN 0.249 nan 8.280 nan 0.000 0.497 280 Y N 0.719 121.030 120.300 0.019 0.000 2.578 280 Y HA 0.027 4.577 4.550 0.001 0.000 0.297 280 Y C 2.102 177.988 175.900 -0.024 0.000 1.176 280 Y CA 0.294 58.379 58.100 -0.025 0.000 1.315 280 Y CB -0.334 38.146 38.460 0.033 0.000 1.031 280 Y HN 0.408 nan 8.280 nan 0.000 0.524 281 Q N -0.315 119.531 119.800 0.076 0.000 2.291 281 Q HA -0.124 4.217 4.340 0.001 0.000 0.205 281 Q C 0.247 176.275 176.000 0.046 0.000 0.970 281 Q CA 0.887 56.730 55.803 0.065 0.000 0.876 281 Q CB 0.078 28.838 28.738 0.036 0.000 0.935 281 Q HN 0.255 nan 8.270 nan 0.000 0.455 282 D N 0.416 120.819 120.400 0.005 0.000 2.428 282 D HA 0.034 4.675 4.640 0.001 0.000 0.221 282 D C 1.106 177.421 176.300 0.024 0.000 1.123 282 D CA -0.303 53.692 54.000 -0.008 0.000 0.869 282 D CB 1.417 42.178 40.800 -0.065 0.000 1.032 282 D HN -0.027 nan 8.370 nan 0.000 0.506 283 V N 2.864 122.805 119.914 0.046 0.000 2.688 283 V HA -0.188 3.932 4.120 0.001 0.000 0.256 283 V C 2.027 178.156 176.094 0.057 0.000 1.084 283 V CA 1.747 64.082 62.300 0.058 0.000 1.103 283 V CB -1.141 30.704 31.823 0.037 0.000 0.688 283 V HN 0.477 nan 8.190 nan 0.000 0.480 284 A N 0.909 123.751 122.820 0.037 0.000 2.019 284 A HA -0.151 4.169 4.320 0.001 0.000 0.219 284 A C 2.044 179.668 177.584 0.065 0.000 1.164 284 A CA 1.843 53.904 52.037 0.040 0.000 0.644 284 A CB -0.753 18.260 19.000 0.022 0.000 0.805 284 A HN 0.621 nan 8.150 nan 0.000 0.449 285 N N -0.071 118.661 118.700 0.054 0.000 2.354 285 N HA 0.003 4.744 4.740 0.001 0.000 0.179 285 N C 1.532 177.223 175.510 0.302 0.000 1.021 285 N CA 1.021 54.130 53.050 0.098 0.000 0.887 285 N CB -0.263 38.085 38.487 -0.233 0.000 0.974 285 N HN 0.581 nan 8.380 nan 0.000 0.437 286 I N 0.973 121.699 120.570 0.260 0.000 2.286 286 I HA -0.179 3.991 4.170 0.001 0.000 0.245 286 I C 1.469 177.734 176.117 0.247 0.000 1.104 286 I CA 0.944 62.376 61.300 0.220 0.000 1.397 286 I CB -0.126 37.934 38.000 0.100 0.000 1.072 286 I HN -0.051 nan 8.210 nan 0.000 0.417 287 D N 1.319 121.808 120.400 0.149 0.000 2.144 287 D HA -0.142 4.498 4.640 0.001 0.000 0.199 287 D C 2.249 178.645 176.300 0.161 0.000 0.984 287 D CA 1.557 55.626 54.000 0.115 0.000 0.834 287 D CB -0.053 40.781 40.800 0.057 0.000 0.955 287 D HN 0.345 nan 8.370 nan 0.000 0.465 288 A N 1.235 124.154 122.820 0.165 0.000 1.898 288 A HA -0.006 4.315 4.320 0.001 0.000 0.216 288 A C 2.350 180.054 177.584 0.199 0.000 1.181 288 A CA 1.990 54.122 52.037 0.158 0.000 0.620 288 A CB -0.601 18.490 19.000 0.151 0.000 0.819 288 A HN 0.231 nan 8.150 nan 0.000 0.442 289 A N -1.188 121.807 122.820 0.292 0.000 1.877 289 A HA -0.071 4.249 4.320 0.001 0.000 0.216 289 A C 2.057 179.833 177.584 0.320 0.000 1.186 289 A CA 1.629 53.886 52.037 0.366 0.000 0.620 289 A CB -0.748 18.555 19.000 0.506 0.000 0.822 289 A HN 0.631 nan 8.150 nan 0.000 0.443 290 F N 0.917 120.890 119.950 0.038 0.000 2.171 290 F HA -0.057 4.471 4.527 0.001 0.000 0.300 290 F C 2.492 178.170 175.800 -0.203 0.000 1.090 290 F CA 1.078 58.831 58.000 -0.412 0.000 1.293 290 F CB -0.298 38.329 39.000 -0.622 0.000 1.013 290 F HN 0.242 nan 8.300 nan 0.000 0.486 291 A N 0.027 122.863 122.820 0.026 0.000 2.019 291 A HA -0.023 4.297 4.320 0.001 0.000 0.219 291 A C 2.339 179.899 177.584 -0.040 0.000 1.164 291 A CA 1.495 53.526 52.037 -0.011 0.000 0.644 291 A CB -1.370 17.668 19.000 0.062 0.000 0.805 291 A HN 0.448 nan 8.150 nan 0.000 0.449 292 A N -0.344 122.480 122.820 0.005 0.000 1.968 292 A HA 0.052 4.373 4.320 0.001 0.000 0.217 292 A C 1.942 179.532 177.584 0.010 0.000 1.169 292 A CA 1.260 53.317 52.037 0.034 0.000 0.638 292 A CB -0.334 18.718 19.000 0.086 0.000 0.812 292 A HN 0.389 nan 8.150 nan 0.000 0.446 293 I N -0.133 120.393 120.570 -0.074 0.000 2.353 293 I HA -0.136 4.034 4.170 0.001 0.000 0.248 293 I C 2.062 178.163 176.117 -0.027 0.000 1.119 293 I CA 1.234 62.494 61.300 -0.067 0.000 1.417 293 I CB -0.808 37.088 38.000 -0.172 0.000 1.078 293 I HN 0.245 nan 8.210 nan 0.000 0.421 294 K N 1.024 121.303 120.400 -0.201 0.000 2.057 294 K HA -0.034 4.287 4.320 0.001 0.000 0.206 294 K C 2.179 178.802 176.600 0.038 0.000 1.050 294 K CA 1.394 57.628 56.287 -0.089 0.000 0.935 294 K CB -0.474 31.927 32.500 -0.165 0.000 0.715 294 K HN 0.250 nan 8.250 nan 0.000 0.439 295 A N 1.658 124.486 122.820 0.014 0.000 1.908 295 A HA -0.237 4.083 4.320 0.001 0.000 0.218 295 A C 2.178 179.773 177.584 0.018 0.000 1.181 295 A CA 1.743 53.794 52.037 0.024 0.000 0.627 295 A CB -0.920 18.090 19.000 0.016 0.000 0.818 295 A HN 0.423 nan 8.150 nan 0.000 0.445 296 H N -1.724 117.287 119.070 -0.098 0.000 2.289 296 H HA -0.247 4.309 4.556 0.001 0.000 0.294 296 H C 1.945 177.076 175.328 -0.328 0.000 1.095 296 H CA 2.502 58.404 56.048 -0.243 0.000 1.256 296 H CB -0.292 29.281 29.762 -0.315 0.000 1.359 296 H HN 0.720 nan 8.280 nan 0.000 0.487 297 W N 0.933 122.280 121.300 0.079 0.000 2.576 297 W HA -0.017 4.643 4.660 0.001 0.000 0.270 297 W C 2.380 178.871 176.519 -0.046 0.000 1.255 297 W CA 0.101 57.441 57.345 -0.009 0.000 1.314 297 W CB 0.182 29.617 29.460 -0.041 0.000 1.101 297 W HN 0.185 nan 8.180 nan 0.000 0.595 298 D N 0.652 121.143 120.400 0.151 0.000 2.097 298 D HA -0.181 4.459 4.640 0.001 0.000 0.195 298 D C 1.676 178.010 176.300 0.056 0.000 0.989 298 D CA 1.512 55.568 54.000 0.094 0.000 0.827 298 D CB -0.423 40.413 40.800 0.061 0.000 0.966 298 D HN 0.311 nan 8.370 nan 0.000 0.456 299 E N 0.405 120.601 120.200 -0.007 0.000 2.085 299 E HA -0.165 4.185 4.350 0.001 0.000 0.194 299 E C 2.284 178.859 176.600 -0.043 0.000 0.994 299 E CA 0.874 57.247 56.400 -0.046 0.000 0.801 299 E CB 0.043 29.671 29.700 -0.120 0.000 0.743 299 E HN 0.217 nan 8.360 nan 0.000 0.453 300 R N -0.011 120.442 120.500 -0.078 0.000 2.062 300 R HA -0.052 4.288 4.340 0.001 0.000 0.229 300 R C 2.564 178.937 176.300 0.122 0.000 1.128 300 R CA 1.300 57.374 56.100 -0.044 0.000 0.960 300 R CB -0.453 29.778 30.300 -0.116 0.000 0.855 300 R HN 0.229 nan 8.270 nan 0.000 0.432 301 C N 0.427 119.838 119.300 0.186 0.000 2.413 301 C HA -0.073 4.388 4.460 0.001 0.000 0.276 301 C C 2.853 177.973 174.990 0.217 0.000 1.248 301 C CA 0.798 59.947 59.018 0.219 0.000 1.742 301 C CB -0.959 26.880 27.740 0.166 0.000 2.017 301 C HN 0.595 nan 8.230 nan 0.000 0.481 302 A N 0.176 123.089 122.820 0.154 0.000 2.125 302 A HA -0.171 4.149 4.320 0.001 0.000 0.219 302 A C 2.031 179.712 177.584 0.161 0.000 1.156 302 A CA 1.300 53.419 52.037 0.136 0.000 0.671 302 A CB -0.441 18.613 19.000 0.091 0.000 0.794 302 A HN 0.744 nan 8.150 nan 0.000 0.459 303 K N -2.399 118.133 120.400 0.220 0.000 2.432 303 K HA 0.151 4.472 4.320 0.001 0.000 0.196 303 K C -0.587 176.263 176.600 0.418 0.000 1.038 303 K CA 0.428 56.890 56.287 0.292 0.000 0.986 303 K CB 0.074 32.750 32.500 0.293 0.000 0.782 303 K HN 0.474 nan 8.250 nan 0.000 0.485 304 F N 1.304 121.411 119.950 0.262 0.000 3.055 304 F HA 0.167 4.694 4.527 0.001 0.000 0.358 304 F C -1.603 174.296 175.800 0.166 0.000 1.262 304 F CA -0.919 57.191 58.000 0.183 0.000 1.172 304 F CB 1.323 40.403 39.000 0.134 0.000 1.503 304 F HN -0.269 nan 8.300 nan 0.000 0.621 305 Q N 4.542 124.406 119.800 0.106 0.000 2.356 305 Q HA 0.616 4.957 4.340 0.001 0.000 0.270 305 Q C -1.479 174.556 176.000 0.059 0.000 1.058 305 Q CA -0.774 55.129 55.803 0.167 0.000 0.802 305 Q CB 3.224 32.029 28.738 0.112 0.000 1.303 305 Q HN 0.548 nan 8.270 nan 0.000 0.444 306 V N 1.825 121.827 119.914 0.147 0.000 2.823 306 V HA 0.642 4.763 4.120 0.001 0.000 0.312 306 V C -1.327 174.803 176.094 0.060 0.000 1.072 306 V CA -0.608 61.755 62.300 0.105 0.000 0.937 306 V CB 2.151 34.069 31.823 0.159 0.000 1.013 306 V HN 0.705 nan 8.190 nan 0.000 0.430 307 K N 4.121 124.551 120.400 0.050 0.000 2.502 307 K HA 0.740 5.060 4.320 0.001 0.000 0.254 307 K C -0.758 175.817 176.600 -0.041 0.000 0.947 307 K CA -0.143 56.143 56.287 -0.001 0.000 0.834 307 K CB 1.601 34.106 32.500 0.008 0.000 1.112 307 K HN 1.005 nan 8.250 nan 0.000 0.427 308 S N 2.404 117.999 115.700 -0.176 0.000 2.720 308 S HA 0.520 4.990 4.470 0.001 0.000 0.287 308 S C -2.400 171.885 174.600 -0.525 0.000 1.168 308 S CA -1.103 56.840 58.200 -0.430 0.000 0.832 308 S CB 1.506 64.305 63.200 -0.669 0.000 1.166 308 S HN 0.385 nan 8.310 nan 0.000 0.493 309 P HA 0.147 nan 4.420 nan 0.000 0.229 309 P C -0.259 176.811 177.300 -0.384 0.000 1.160 309 P CA 0.589 63.314 63.100 -0.624 0.000 0.777 309 P CB -0.058 31.114 31.700 -0.880 0.000 0.814 310 N N 0.521 118.995 118.700 -0.377 0.000 2.500 310 N HA 0.016 4.756 4.740 0.001 0.000 0.236 310 N C 0.930 176.358 175.510 -0.137 0.000 1.022 310 N CA 0.035 53.021 53.050 -0.107 0.000 0.935 310 N CB 0.911 39.454 38.487 0.092 0.000 1.147 310 N HN -0.179 nan 8.380 nan 0.000 0.512 311 Q N 3.263 122.987 119.800 -0.126 0.000 2.124 311 Q HA 0.009 4.349 4.340 0.001 0.000 0.202 311 Q C 1.629 177.375 176.000 -0.423 0.000 0.977 311 Q CA 2.032 57.724 55.803 -0.184 0.000 0.850 311 Q CB -0.490 28.197 28.738 -0.084 0.000 0.901 311 Q HN 0.763 nan 8.270 nan 0.000 0.429 312 G N 0.802 109.332 108.800 -0.449 0.000 2.421 312 G HA2 -0.259 3.702 3.960 0.001 0.000 0.216 312 G HA3 -0.259 3.702 3.960 0.001 0.000 0.216 312 G C 1.423 176.099 174.900 -0.372 0.000 1.171 312 G CA 0.834 45.448 45.100 -0.810 0.000 0.775 312 G HN 0.431 nan 8.290 nan 0.000 0.543 313 L N 0.243 121.430 121.223 -0.060 0.000 2.017 313 L HA -0.061 4.279 4.340 0.001 0.000 0.208 313 L C 2.432 179.277 176.870 -0.042 0.000 1.073 313 L CA 2.073 56.927 54.840 0.024 0.000 0.745 313 L CB -0.343 41.638 42.059 -0.130 0.000 0.894 313 L HN 0.087 nan 8.230 nan 0.000 0.432 314 D N -0.487 119.852 120.400 -0.101 0.000 2.106 314 D HA -0.201 4.440 4.640 0.001 0.000 0.191 314 D C 2.130 178.416 176.300 -0.023 0.000 0.997 314 D CA 2.031 55.998 54.000 -0.055 0.000 0.834 314 D CB -0.496 40.257 40.800 -0.080 0.000 0.956 314 D HN 0.348 nan 8.370 nan 0.000 0.448 315 T N 0.719 115.190 114.554 -0.138 0.000 2.720 315 T HA -0.143 4.207 4.350 0.001 0.000 0.268 315 T C 1.881 176.669 174.700 0.146 0.000 1.037 315 T CA 1.094 63.160 62.100 -0.055 0.000 1.144 315 T CB -0.057 68.594 68.868 -0.363 0.000 0.864 315 T HN 0.082 nan 8.240 nan 0.000 0.444 316 M N 0.434 120.086 119.600 0.086 0.000 2.123 316 M HA 0.092 4.572 4.480 0.001 0.000 0.263 316 M C 2.287 178.775 176.300 0.314 0.000 1.069 316 M CA 1.068 56.533 55.300 0.276 0.000 1.133 316 M CB -1.038 31.705 32.600 0.238 0.000 1.356 316 M HN 0.176 nan 8.290 nan 0.000 0.415 317 I N 1.018 121.737 120.570 0.249 0.000 2.315 317 I HA -0.241 3.930 4.170 0.001 0.000 0.248 317 I C 1.697 178.004 176.117 0.316 0.000 1.117 317 I CA 1.191 62.654 61.300 0.273 0.000 1.404 317 I CB -1.564 36.494 38.000 0.097 0.000 1.071 317 I HN 0.311 nan 8.210 nan 0.000 0.419 318 N N 0.533 119.370 118.700 0.229 0.000 2.512 318 N HA 0.015 4.755 4.740 0.001 0.000 0.183 318 N C 1.224 176.815 175.510 0.134 0.000 1.073 318 N CA 1.086 54.261 53.050 0.209 0.000 0.911 318 N CB 0.610 39.188 38.487 0.152 0.000 0.964 318 N HN 0.453 nan 8.380 nan 0.000 0.447 319 A N -1.039 121.830 122.820 0.081 0.000 1.691 319 A HA 0.159 4.480 4.320 0.001 0.000 0.137 319 A C 1.014 178.464 177.584 -0.223 0.000 1.444 319 A CA -0.161 51.768 52.037 -0.181 0.000 1.955 319 A CB -0.903 17.824 19.000 -0.455 0.000 1.909 319 A HN 0.153 nan 8.150 nan 0.000 1.201 320 W N 1.650 123.040 121.300 0.150 0.000 2.304 320 W HA -0.143 4.517 4.660 0.001 0.000 0.315 320 W C 2.350 178.956 176.519 0.145 0.000 1.233 320 W CA 2.424 59.870 57.345 0.168 0.000 1.261 320 W CB -0.723 28.866 29.460 0.215 0.000 1.150 320 W HN 0.350 nan 8.180 nan 0.000 0.494 321 T N 0.684 115.469 114.554 0.385 0.000 2.904 321 T HA -0.131 4.220 4.350 0.001 0.000 0.267 321 T C 1.712 176.530 174.700 0.196 0.000 1.059 321 T CA 1.191 63.510 62.100 0.365 0.000 1.137 321 T CB -0.488 68.707 68.868 0.544 0.000 0.879 321 T HN 0.024 nan 8.240 nan 0.000 0.467 322 L N 0.506 121.794 121.223 0.107 0.000 2.017 322 L HA 0.002 4.343 4.340 0.001 0.000 0.208 322 L C 2.090 178.976 176.870 0.027 0.000 1.073 322 L CA 1.653 56.383 54.840 -0.184 0.000 0.745 322 L CB -0.857 41.185 42.059 -0.028 0.000 0.894 322 L HN 0.363 nan 8.230 nan 0.000 0.432 323 Y N -0.164 120.052 120.300 -0.140 0.000 2.128 323 Y HA -0.379 4.172 4.550 0.001 0.000 0.284 323 Y C 2.821 178.725 175.900 0.007 0.000 1.154 323 Y CA 1.955 59.893 58.100 -0.270 0.000 1.149 323 Y CB -0.010 38.133 38.460 -0.528 0.000 0.976 323 Y HN 0.456 nan 8.280 nan 0.000 0.505 324 Q N 0.126 119.900 119.800 -0.044 0.000 2.079 324 Q HA -0.188 4.152 4.340 0.001 0.000 0.200 324 Q C 2.336 178.342 176.000 0.011 0.000 0.974 324 Q CA 1.346 57.087 55.803 -0.103 0.000 0.840 324 Q CB -0.270 28.382 28.738 -0.142 0.000 0.898 324 Q HN 0.596 nan 8.270 nan 0.000 0.430 325 A N 0.823 123.660 122.820 0.029 0.000 1.877 325 A HA -0.239 4.081 4.320 0.001 0.000 0.216 325 A C 1.867 179.466 177.584 0.026 0.000 1.186 325 A CA 1.693 53.739 52.037 0.014 0.000 0.620 325 A CB -0.664 18.310 19.000 -0.044 0.000 0.822 325 A HN 0.593 nan 8.150 nan 0.000 0.443 326 E N -0.952 119.298 120.200 0.083 0.000 2.204 326 E HA -0.117 4.234 4.350 0.001 0.000 0.194 326 E C 1.814 178.504 176.600 0.150 0.000 0.989 326 E CA 1.318 57.801 56.400 0.138 0.000 0.824 326 E CB -0.086 29.798 29.700 0.308 0.000 0.756 326 E HN 0.552 nan 8.360 nan 0.000 0.477 327 T N -0.218 114.438 114.554 0.169 0.000 2.788 327 T HA -0.162 4.188 4.350 0.001 0.000 0.268 327 T C 1.866 176.611 174.700 0.074 0.000 1.044 327 T CA 1.167 63.362 62.100 0.158 0.000 1.139 327 T CB -0.322 68.553 68.868 0.012 0.000 0.867 327 T HN 0.349 nan 8.240 nan 0.000 0.454 328 C N 0.841 120.155 119.300 0.023 0.000 2.453 328 C HA 0.006 4.466 4.460 0.001 0.000 0.277 328 C C 2.835 177.805 174.990 -0.034 0.000 1.262 328 C CA 0.135 59.148 59.018 -0.009 0.000 1.718 328 C CB -1.115 26.621 27.740 -0.007 0.000 2.031 328 C HN 0.354 nan 8.230 nan 0.000 0.480 329 V N 0.688 120.577 119.914 -0.041 0.000 2.343 329 V HA -0.177 3.943 4.120 0.001 0.000 0.247 329 V C 2.345 178.358 176.094 -0.136 0.000 1.051 329 V CA 2.075 64.328 62.300 -0.078 0.000 1.036 329 V CB -0.624 31.158 31.823 -0.068 0.000 0.654 329 V HN 0.470 nan 8.190 nan 0.000 0.451 330 V N -1.770 118.030 119.914 -0.190 0.000 2.302 330 V HA -0.159 3.962 4.120 0.001 0.000 0.243 330 V C 1.846 177.614 176.094 -0.543 0.000 1.036 330 V CA 1.765 63.802 62.300 -0.439 0.000 1.020 330 V CB -0.574 30.877 31.823 -0.620 0.000 0.657 330 V HN 0.666 nan 8.190 nan 0.000 0.453 331 W N -0.491 120.817 121.300 0.013 0.000 3.278 331 W HA 0.510 5.171 4.660 0.001 0.000 0.308 331 W C 1.437 177.959 176.519 0.005 0.000 1.253 331 W CA 0.711 58.089 57.345 0.054 0.000 1.759 331 W CB 0.151 29.667 29.460 0.093 0.000 1.093 331 W HN 0.270 nan 8.180 nan 0.000 0.648 332 S N 0.327 116.069 115.700 0.069 0.000 3.486 332 S HA -0.252 4.218 4.470 0.001 0.000 0.632 332 S C 0.945 175.441 174.600 -0.174 0.000 2.553 332 S CA 1.019 59.183 58.200 -0.061 0.000 2.974 332 S CB -0.712 62.476 63.200 -0.020 0.000 0.320 332 S HN 0.294 nan 8.310 nan 0.000 1.613 333 R N -0.017 120.165 120.500 -0.529 0.000 2.535 333 R HA 0.294 4.635 4.340 0.001 0.000 0.323 333 R C 0.177 176.004 176.300 -0.789 0.000 0.979 333 R CA 0.317 56.000 56.100 -0.694 0.000 1.120 333 R CB -0.384 29.398 30.300 -0.863 0.000 1.306 333 R HN 0.493 nan 8.270 nan 0.000 0.540 334 F N 0.422 120.371 119.950 -0.001 0.000 2.772 334 F HA 0.482 5.009 4.527 0.001 0.000 0.302 334 F C 0.516 176.277 175.800 -0.064 0.000 1.136 334 F CA -0.827 57.148 58.000 -0.042 0.000 1.322 334 F CB 0.742 39.684 39.000 -0.097 0.000 0.967 334 F HN -0.172 nan 8.300 nan 0.000 0.513 335 A N 0.524 123.400 122.820 0.093 0.000 2.605 335 A HA 0.711 5.031 4.320 0.001 0.000 0.293 335 A C -0.046 177.670 177.584 0.221 0.000 1.216 335 A CA -0.076 52.023 52.037 0.103 0.000 0.742 335 A CB 0.333 19.286 19.000 -0.077 0.000 1.170 335 A HN 0.210 nan 8.150 nan 0.000 0.443 336 S N 0.307 116.152 115.700 0.243 0.000 3.287 336 S HA 0.721 5.192 4.470 0.001 0.000 0.324 336 S C -0.287 174.555 174.600 0.403 0.000 1.205 336 S CA -0.299 58.041 58.200 0.234 0.000 1.020 336 S CB 0.240 63.579 63.200 0.232 0.000 1.398 336 S HN 0.334 nan 8.310 nan 0.000 0.679 337 F N 0.508 120.487 119.950 0.050 0.000 2.749 337 F HA 0.499 5.026 4.527 0.001 0.000 0.300 337 F C 1.443 177.349 175.800 0.176 0.000 1.103 337 F CA -0.660 57.423 58.000 0.139 0.000 1.342 337 F CB -0.129 38.958 39.000 0.145 0.000 1.098 337 F HN 0.327 nan 8.300 nan 0.000 0.586 338 I N -1.169 119.557 120.570 0.259 0.000 3.039 338 I HA 0.054 4.225 4.170 0.001 0.000 0.270 338 I C 0.478 176.631 176.117 0.061 0.000 1.150 338 I CA 0.680 62.031 61.300 0.086 0.000 1.448 338 I CB -0.437 37.491 38.000 -0.120 0.000 1.197 338 I HN -0.221 nan 8.210 nan 0.000 0.450 339 E N 2.620 122.876 120.200 0.095 0.000 2.044 339 E HA 0.232 4.582 4.350 0.001 0.000 0.282 339 E C 0.261 176.918 176.600 0.095 0.000 1.031 339 E CA -0.023 56.438 56.400 0.101 0.000 0.824 339 E CB 1.527 31.311 29.700 0.141 0.000 1.076 339 E HN 0.107 nan 8.360 nan 0.000 0.395 340 V N 0.214 120.152 119.914 0.040 0.000 3.017 340 V HA 0.687 4.807 4.120 0.001 0.000 0.354 340 V C 0.347 176.385 176.094 -0.093 0.000 1.389 340 V CA -0.010 62.268 62.300 -0.037 0.000 1.163 340 V CB 0.459 32.290 31.823 0.013 0.000 1.178 340 V HN 0.538 nan 8.190 nan 0.000 0.547 341 G N -1.823 106.928 108.800 -0.082 0.000 2.318 341 G HA2 0.556 4.516 3.960 0.001 0.000 0.302 341 G HA3 0.556 4.516 3.960 0.001 0.000 0.302 341 G C 0.067 174.905 174.900 -0.104 0.000 1.633 341 G CA 0.354 45.384 45.100 -0.118 0.000 0.965 341 G HN 1.819 nan 8.290 nan 0.000 0.698 342 G N 0.968 109.678 108.800 -0.149 0.000 3.355 342 G HA2 -0.112 3.849 3.960 0.001 0.000 0.247 342 G HA3 -0.112 3.849 3.960 0.001 0.000 0.247 342 G C 0.485 175.264 174.900 -0.202 0.000 1.818 342 G CA 0.291 45.312 45.100 -0.132 0.000 1.309 342 G HN 1.125 nan 8.290 nan 0.000 0.546 343 R N 1.452 121.808 120.500 -0.239 0.000 2.570 343 R HA 0.530 4.870 4.340 0.001 0.000 0.277 343 R C -0.058 175.810 176.300 -0.720 0.000 1.039 343 R CA 1.170 56.970 56.100 -0.500 0.000 1.065 343 R CB 0.873 30.834 30.300 -0.566 0.000 0.964 343 R HN 0.589 nan 8.270 nan 0.000 0.428 344 T N 0.118 114.172 114.554 -0.833 0.000 2.802 344 T HA 0.564 4.915 4.350 0.001 0.000 0.311 344 T C -0.046 174.347 174.700 -0.513 0.000 1.405 344 T CA 0.507 62.257 62.100 -0.584 0.000 1.016 344 T CB 1.620 70.291 68.868 -0.329 0.000 1.352 344 T HN 0.846 nan 8.240 nan 0.000 0.498 345 G N 1.481 110.155 108.800 -0.209 0.000 2.662 345 G HA2 -0.068 3.892 3.960 0.001 0.000 0.236 345 G HA3 -0.068 3.892 3.960 0.001 0.000 0.236 345 G C -1.407 173.440 174.900 -0.089 0.000 1.212 345 G CA -0.122 44.825 45.100 -0.255 0.000 0.968 345 G HN 0.974 nan 8.290 nan 0.000 0.576 346 L N 1.235 122.240 121.223 -0.364 0.000 2.386 346 L HA 0.680 5.020 4.340 0.001 0.000 0.271 346 L C 0.750 177.506 176.870 -0.191 0.000 0.993 346 L CA -0.437 54.227 54.840 -0.293 0.000 0.819 346 L CB 2.249 43.915 42.059 -0.655 0.000 1.294 346 L HN 1.008 nan 8.230 nan 0.000 0.414 347 G N 0.242 109.086 108.800 0.073 0.000 2.320 347 G HA2 0.203 4.164 3.960 0.001 0.000 0.300 347 G HA3 0.203 4.164 3.960 0.001 0.000 0.300 347 G C 0.062 175.009 174.900 0.078 0.000 1.126 347 G CA -0.127 45.022 45.100 0.082 0.000 0.896 347 G HN 0.659 nan 8.290 nan 0.000 0.436 348 Y N 2.810 123.183 120.300 0.121 0.000 2.030 348 Y HA -0.334 4.217 4.550 0.001 0.000 0.274 348 Y C 3.081 179.114 175.900 0.223 0.000 1.153 348 Y CA 2.753 61.017 58.100 0.272 0.000 1.115 348 Y CB 0.158 38.834 38.460 0.359 0.000 0.969 348 Y HN 0.664 nan 8.280 nan 0.000 0.488 349 R N 0.111 120.891 120.500 0.465 0.000 2.152 349 R HA -0.136 4.205 4.340 0.001 0.000 0.232 349 R C 1.552 177.933 176.300 0.135 0.000 1.117 349 R CA 1.812 58.138 56.100 0.378 0.000 0.981 349 R CB -0.640 29.893 30.300 0.388 0.000 0.870 349 R HN 0.327 nan 8.270 nan 0.000 0.451 350 D N 0.754 121.206 120.400 0.087 0.000 2.078 350 D HA -0.117 4.524 4.640 0.001 0.000 0.193 350 D C 1.723 178.038 176.300 0.025 0.000 0.990 350 D CA 2.098 56.123 54.000 0.041 0.000 0.827 350 D CB -0.401 40.388 40.800 -0.018 0.000 0.975 350 D HN 0.277 nan 8.370 nan 0.000 0.451 351 T N 1.131 115.676 114.554 -0.016 0.000 2.867 351 T HA -0.024 4.326 4.350 0.001 0.000 0.268 351 T C 2.043 176.727 174.700 -0.027 0.000 1.057 351 T CA 1.082 63.154 62.100 -0.048 0.000 1.136 351 T CB -0.181 68.630 68.868 -0.095 0.000 0.874 351 T HN 0.178 nan 8.240 nan 0.000 0.466 352 A N 1.579 124.406 122.820 0.011 0.000 1.908 352 A HA -0.211 4.110 4.320 0.001 0.000 0.218 352 A C 2.276 179.927 177.584 0.113 0.000 1.181 352 A CA 1.603 53.693 52.037 0.090 0.000 0.627 352 A CB -0.551 18.614 19.000 0.275 0.000 0.818 352 A HN 0.556 nan 8.150 nan 0.000 0.445 353 Q N -0.801 119.054 119.800 0.091 0.000 2.096 353 Q HA -0.119 4.221 4.340 0.001 0.000 0.197 353 Q C 1.533 177.481 176.000 -0.088 0.000 0.964 353 Q CA 1.119 56.949 55.803 0.044 0.000 0.838 353 Q CB -0.203 28.601 28.738 0.110 0.000 0.906 353 Q HN 0.572 nan 8.270 nan 0.000 0.444 354 D N 1.297 121.677 120.400 -0.034 0.000 2.116 354 D HA -0.166 4.475 4.640 0.001 0.000 0.193 354 D C 1.706 177.948 176.300 -0.097 0.000 0.998 354 D CA 1.479 55.442 54.000 -0.062 0.000 0.836 354 D CB -0.286 40.495 40.800 -0.032 0.000 0.951 354 D HN 0.257 nan 8.370 nan 0.000 0.449 355 A N 0.476 123.248 122.820 -0.081 0.000 2.186 355 A HA -0.115 4.206 4.320 0.001 0.000 0.219 355 A C 2.153 179.681 177.584 -0.093 0.000 1.159 355 A CA 0.506 52.496 52.037 -0.079 0.000 0.680 355 A CB -0.728 18.228 19.000 -0.073 0.000 0.787 355 A HN 0.321 nan 8.150 nan 0.000 0.467 356 I N -0.166 120.291 120.570 -0.187 0.000 3.419 356 I HA -0.122 4.048 4.170 0.001 0.000 0.286 356 I C 2.404 178.338 176.117 -0.306 0.000 1.268 356 I CA 1.174 62.289 61.300 -0.309 0.000 1.414 356 I CB 0.059 37.700 38.000 -0.597 0.000 1.074 356 I HN 0.481 nan 8.210 nan 0.000 0.457 357 S N 0.435 116.026 115.700 -0.181 0.000 2.377 357 S HA -0.065 4.406 4.470 0.001 0.000 0.223 357 S C 1.268 175.991 174.600 0.206 0.000 1.030 357 S CA 0.857 59.075 58.200 0.029 0.000 0.970 357 S CB -0.305 62.910 63.200 0.025 0.000 0.830 357 S HN 0.304 nan 8.310 nan 0.000 0.473 358 V N -1.659 118.327 119.914 0.121 0.000 2.854 358 V HA 0.498 4.618 4.120 0.001 0.000 0.366 358 V C -1.921 174.245 176.094 0.119 0.000 1.322 358 V CA -1.134 61.270 62.300 0.173 0.000 1.243 358 V CB 0.538 32.348 31.823 -0.022 0.000 1.337 358 V HN 0.193 nan 8.190 nan 0.000 0.585 359 P HA -0.175 nan 4.420 nan 0.000 0.225 359 P C 1.436 178.814 177.300 0.130 0.000 1.148 359 P CA 1.847 65.037 63.100 0.149 0.000 0.779 359 P CB -0.126 31.683 31.700 0.182 0.000 0.780 360 H N -0.321 118.822 119.070 0.122 0.000 2.462 360 H HA 0.202 4.759 4.556 0.001 0.000 0.292 360 H C 1.469 176.866 175.328 0.115 0.000 1.049 360 H CA 1.400 57.539 56.048 0.151 0.000 1.334 360 H CB -0.673 29.224 29.762 0.225 0.000 1.404 360 H HN 0.085 nan 8.280 nan 0.000 0.544 361 A N 0.461 122.822 122.820 -0.764 0.000 1.963 361 A HA 0.048 4.369 4.320 0.001 0.000 0.207 361 A C 1.160 178.573 177.584 -0.286 0.000 1.243 361 A CA 0.455 52.162 52.037 -0.549 0.000 0.728 361 A CB 0.267 18.892 19.000 -0.625 0.000 0.895 361 A HN 0.345 nan 8.150 nan 0.000 0.467 362 N N -0.113 118.460 118.700 -0.212 0.000 2.791 362 N HA 0.215 4.955 4.740 0.001 0.000 0.265 362 N C -2.395 173.072 175.510 -0.070 0.000 1.580 362 N CA -1.639 51.320 53.050 -0.152 0.000 0.809 362 N CB 1.391 39.785 38.487 -0.156 0.000 1.178 362 N HN 0.071 nan 8.380 nan 0.000 0.499 363 P HA -0.087 nan 4.420 nan 0.000 0.218 363 P C 0.549 177.890 177.300 0.068 0.000 1.149 363 P CA 1.144 64.291 63.100 0.077 0.000 0.817 363 P CB 0.795 32.524 31.700 0.047 0.000 0.785 364 E N -0.292 119.900 120.200 -0.014 0.000 2.051 364 E HA -0.155 4.195 4.350 0.001 0.000 0.192 364 E C 2.141 178.690 176.600 -0.085 0.000 0.991 364 E CA 1.271 57.645 56.400 -0.044 0.000 0.799 364 E CB -0.855 28.813 29.700 -0.053 0.000 0.748 364 E HN 0.105 nan 8.360 nan 0.000 0.449 365 M N 0.279 119.822 119.600 -0.095 0.000 2.254 365 M HA -0.071 4.410 4.480 0.001 0.000 0.265 365 M C 1.816 178.036 176.300 -0.132 0.000 1.066 365 M CA 1.516 56.744 55.300 -0.120 0.000 1.123 365 M CB -0.288 32.232 32.600 -0.133 0.000 1.388 365 M HN 0.022 nan 8.290 nan 0.000 0.425 366 T N -0.112 114.374 114.554 -0.114 0.000 2.708 366 T HA -0.158 4.192 4.350 0.001 0.000 0.266 366 T C 1.918 176.432 174.700 -0.311 0.000 1.037 366 T CA 1.652 63.669 62.100 -0.138 0.000 1.146 366 T CB -0.300 68.557 68.868 -0.018 0.000 0.865 366 T HN 0.429 nan 8.240 nan 0.000 0.435 367 R N 0.924 121.166 120.500 -0.429 0.000 2.081 367 R HA -0.094 4.246 4.340 0.001 0.000 0.235 367 R C 2.524 178.606 176.300 -0.362 0.000 1.131 367 R CA 1.229 56.904 56.100 -0.709 0.000 0.960 367 R CB -0.118 29.833 30.300 -0.582 0.000 0.856 367 R HN 0.088 nan 8.270 nan 0.000 0.436 368 K N 0.617 120.889 120.400 -0.213 0.000 2.032 368 K HA -0.156 4.165 4.320 0.001 0.000 0.209 368 K C 1.950 178.488 176.600 -0.103 0.000 1.048 368 K CA 1.420 57.633 56.287 -0.123 0.000 0.927 368 K CB -0.081 32.359 32.500 -0.099 0.000 0.712 368 K HN 0.098 nan 8.250 nan 0.000 0.441 369 R N 0.648 121.072 120.500 -0.126 0.000 2.092 369 R HA 0.006 4.346 4.340 0.001 0.000 0.231 369 R C 2.482 178.729 176.300 -0.088 0.000 1.119 369 R CA 0.873 56.914 56.100 -0.097 0.000 0.970 369 R CB -0.784 29.450 30.300 -0.110 0.000 0.864 369 R HN 0.348 nan 8.270 nan 0.000 0.440 370 I N 0.328 120.814 120.570 -0.140 0.000 2.226 370 I HA -0.248 3.923 4.170 0.001 0.000 0.245 370 I C 2.242 178.342 176.117 -0.029 0.000 1.100 370 I CA 1.120 62.360 61.300 -0.100 0.000 1.374 370 I CB -0.304 37.576 38.000 -0.200 0.000 1.057 370 I HN -0.115 nan 8.210 nan 0.000 0.413 371 V N 0.733 120.633 119.914 -0.024 0.000 2.407 371 V HA -0.286 3.834 4.120 0.001 0.000 0.248 371 V C 2.072 178.166 176.094 -0.001 0.000 1.055 371 V CA 1.891 64.197 62.300 0.011 0.000 1.049 371 V CB -0.688 31.151 31.823 0.028 0.000 0.662 371 V HN 0.401 nan 8.190 nan 0.000 0.455 372 D N 0.226 120.648 120.400 0.035 0.000 2.104 372 D HA -0.151 4.490 4.640 0.001 0.000 0.194 372 D C 2.145 178.533 176.300 0.147 0.000 0.994 372 D CA 1.323 55.410 54.000 0.145 0.000 0.830 372 D CB -0.274 40.630 40.800 0.173 0.000 0.959 372 D HN 0.344 nan 8.370 nan 0.000 0.452 373 L N 0.213 121.468 121.223 0.054 0.000 2.083 373 L HA -0.131 4.209 4.340 0.001 0.000 0.209 373 L C 2.581 179.433 176.870 -0.030 0.000 1.083 373 L CA 0.561 55.347 54.840 -0.089 0.000 0.752 373 L CB -0.306 41.596 42.059 -0.263 0.000 0.899 373 L HN 0.036 nan 8.230 nan 0.000 0.433 374 L N -0.701 120.480 121.223 -0.070 0.000 2.093 374 L HA -0.175 4.166 4.340 0.001 0.000 0.208 374 L C 2.742 179.475 176.870 -0.228 0.000 1.085 374 L CA 1.190 55.912 54.840 -0.197 0.000 0.755 374 L CB -0.372 41.438 42.059 -0.415 0.000 0.904 374 L HN 0.181 nan 8.230 nan 0.000 0.435 375 R N -0.359 120.010 120.500 -0.219 0.000 2.148 375 R HA -0.042 4.298 4.340 0.001 0.000 0.223 375 R C 1.951 177.857 176.300 -0.656 0.000 1.088 375 R CA 0.953 56.872 56.100 -0.302 0.000 0.985 375 R CB -0.360 29.866 30.300 -0.124 0.000 0.880 375 R HN 0.346 nan 8.270 nan 0.000 0.451 376 G N 0.245 108.675 108.800 -0.618 0.000 3.181 376 G HA2 -0.098 3.862 3.960 0.001 0.000 0.219 376 G HA3 -0.098 3.862 3.960 0.001 0.000 0.219 376 G C 0.063 174.715 174.900 -0.413 0.000 1.182 376 G CA -0.313 44.197 45.100 -0.985 0.000 0.791 376 G HN 0.196 nan 8.290 nan 0.000 0.537 377 Q N 0.793 120.487 119.800 -0.177 0.000 2.245 377 Q HA 0.509 4.850 4.340 0.001 0.000 0.256 377 Q C -0.177 175.756 176.000 -0.112 0.000 0.942 377 Q CA -0.747 55.004 55.803 -0.086 0.000 0.896 377 Q CB 2.143 30.977 28.738 0.160 0.000 1.272 377 Q HN 0.096 nan 8.270 nan 0.000 0.442 378 V N 1.099 120.775 119.914 -0.397 0.000 2.973 378 V HA 0.321 4.441 4.120 0.001 0.000 0.314 378 V C 0.883 176.547 176.094 -0.716 0.000 1.066 378 V CA -0.473 61.530 62.300 -0.495 0.000 1.021 378 V CB 1.398 32.774 31.823 -0.745 0.000 1.076 378 V HN 0.943 nan 8.190 nan 0.000 0.462 379 K N 1.937 121.797 120.400 -0.900 0.000 2.113 379 K HA -0.177 4.143 4.320 0.001 0.000 0.208 379 K C 2.220 178.379 176.600 -0.734 0.000 1.047 379 K CA 1.902 57.446 56.287 -1.239 0.000 0.928 379 K CB -0.630 31.425 32.500 -0.741 0.000 0.716 379 K HN 0.922 nan 8.250 nan 0.000 0.446 380 A N 0.165 122.677 122.820 -0.515 0.000 2.032 380 A HA -0.115 4.205 4.320 0.001 0.000 0.221 380 A C 1.829 179.271 177.584 -0.237 0.000 1.165 380 A CA 2.088 53.974 52.037 -0.251 0.000 0.645 380 A CB -0.530 18.416 19.000 -0.089 0.000 0.807 380 A HN 0.539 nan 8.150 nan 0.000 0.453 381 G N -3.067 105.432 108.800 -0.503 0.000 2.316 381 G HA2 -0.194 3.766 3.960 0.001 0.000 0.203 381 G HA3 -0.194 3.766 3.960 0.001 0.000 0.203 381 G C 0.235 174.714 174.900 -0.703 0.000 0.999 381 G CA 0.222 45.061 45.100 -0.435 0.000 0.649 381 G HN 1.243 nan 8.290 nan 0.000 0.489 382 Y N 0.865 120.606 120.300 -0.931 0.000 2.334 382 Y HA 0.747 5.298 4.550 0.001 0.000 0.325 382 Y C 0.787 176.353 175.900 -0.557 0.000 1.308 382 Y CA -1.273 56.239 58.100 -0.981 0.000 1.389 382 Y CB 0.557 38.309 38.460 -1.179 0.000 1.328 382 Y HN 0.416 nan 8.280 nan 0.000 0.532 383 G N 0.949 109.536 108.800 -0.356 0.000 2.441 383 G HA2 0.523 4.484 3.960 0.001 0.000 0.334 383 G HA3 0.523 4.484 3.960 0.001 0.000 0.334 383 G C -1.352 173.470 174.900 -0.129 0.000 1.161 383 G CA -1.294 43.394 45.100 -0.687 0.000 0.935 383 G HN 0.798 nan 8.290 nan 0.000 0.488 384 L N 1.460 122.664 121.223 -0.031 0.000 2.369 384 L HA 0.098 4.438 4.340 0.001 0.000 0.279 384 L C 1.682 178.910 176.870 0.596 0.000 1.108 384 L CA -0.572 54.348 54.840 0.133 0.000 0.852 384 L CB 0.789 42.920 42.059 0.120 0.000 1.169 384 L HN 0.813 nan 8.230 nan 0.000 0.452 385 H N 3.434 122.897 119.070 0.655 0.000 2.321 385 H HA -0.111 4.445 4.556 0.001 0.000 0.295 385 H C -0.121 175.495 175.328 0.479 0.000 1.102 385 H CA 1.687 58.031 56.048 0.494 0.000 1.266 385 H CB 0.233 30.187 29.762 0.320 0.000 1.363 385 H HN 0.382 nan 8.280 nan 0.000 0.492 386 L N 0.616 122.108 121.223 0.448 0.000 2.438 386 L HA 0.397 4.738 4.340 0.001 0.000 0.270 386 L C -1.662 175.439 176.870 0.386 0.000 0.972 386 L CA -0.843 54.139 54.840 0.237 0.000 0.831 386 L CB 1.278 43.396 42.059 0.099 0.000 1.273 386 L HN 0.198 nan 8.230 nan 0.000 0.405 387 F N 1.287 121.277 119.950 0.067 0.000 2.713 387 F HA 0.593 5.120 4.527 0.001 0.000 0.311 387 F C -1.414 174.084 175.800 -0.502 0.000 1.141 387 F CA -0.970 56.983 58.000 -0.078 0.000 0.939 387 F CB 1.171 40.371 39.000 0.333 0.000 1.325 387 F HN 0.426 nan 8.300 nan 0.000 0.453 388 D N 3.394 123.022 120.400 -1.286 0.000 2.329 388 D HA 0.329 4.969 4.640 0.001 0.000 0.232 388 D C -1.722 174.260 176.300 -0.529 0.000 1.088 388 D CA -2.476 50.828 54.000 -1.160 0.000 0.835 388 D CB 2.144 41.882 40.800 -1.770 0.000 1.078 388 D HN 0.345 nan 8.370 nan 0.000 0.495 389 P HA -0.137 nan 4.420 nan 0.000 0.219 389 P C 0.515 177.879 177.300 0.106 0.000 1.146 389 P CA 0.765 63.981 63.100 0.192 0.000 0.808 389 P CB 0.585 32.338 31.700 0.089 0.000 0.779 390 D N -1.259 119.105 120.400 -0.059 0.000 2.264 390 D HA -0.129 4.511 4.640 0.001 0.000 0.208 390 D C 1.812 178.158 176.300 0.077 0.000 0.966 390 D CA 0.674 54.684 54.000 0.018 0.000 0.864 390 D CB -0.630 40.180 40.800 0.015 0.000 0.933 390 D HN 0.232 nan 8.370 nan 0.000 0.499 391 W N 0.168 121.364 121.300 -0.174 0.000 2.363 391 W HA -0.072 4.588 4.660 0.001 0.000 0.296 391 W C 1.387 177.608 176.519 -0.497 0.000 1.212 391 W CA 0.412 57.488 57.345 -0.448 0.000 1.260 391 W CB -1.067 27.893 29.460 -0.832 0.000 1.131 391 W HN 0.025 nan 8.180 nan 0.000 0.530 392 F N -0.553 119.587 119.950 0.317 0.000 2.653 392 F HA 0.148 4.675 4.527 0.001 0.000 0.304 392 F C 0.637 176.514 175.800 0.128 0.000 1.092 392 F CA -0.615 57.498 58.000 0.189 0.000 1.279 392 F CB -0.524 38.566 39.000 0.151 0.000 1.044 392 F HN -0.348 nan 8.300 nan 0.000 0.564 393 D N 2.712 123.247 120.400 0.226 0.000 2.336 393 D HA 0.163 4.803 4.640 0.001 0.000 0.249 393 D C -1.844 174.530 176.300 0.124 0.000 1.213 393 D CA -1.054 53.041 54.000 0.157 0.000 0.870 393 D CB 1.008 41.879 40.800 0.119 0.000 1.076 393 D HN 0.079 nan 8.370 nan 0.000 0.483 418 H N 3.302 122.476 119.070 0.174 0.000 2.544 418 H HA 0.833 5.389 4.556 0.001 0.000 0.342 418 H C 0.090 175.501 175.328 0.139 0.000 1.185 418 H CA -0.674 55.456 56.048 0.136 0.000 1.264 418 H CB 2.239 32.082 29.762 0.134 0.000 1.607 418 H HN 0.588 nan 8.280 nan 0.000 0.550 419 G N 0.252 109.236 108.800 0.305 0.000 2.563 419 G HA2 0.175 4.136 3.960 0.001 0.000 0.283 419 G HA3 0.175 4.136 3.960 0.001 0.000 0.283 419 G C 0.546 175.487 174.900 0.068 0.000 1.309 419 G CA -0.553 44.663 45.100 0.193 0.000 1.022 419 G HN 0.647 nan 8.290 nan 0.000 0.501 420 I N -0.375 120.176 120.570 -0.031 0.000 2.756 420 I HA -0.054 4.116 4.170 0.001 0.000 0.262 420 I C 2.630 178.636 176.117 -0.185 0.000 1.225 420 I CA 1.245 62.423 61.300 -0.203 0.000 1.472 420 I CB -0.197 37.779 38.000 -0.040 0.000 1.094 420 I HN 0.676 nan 8.210 nan 0.000 0.454 421 K N -0.973 119.355 120.400 -0.119 0.000 2.167 421 K HA -0.030 4.291 4.320 0.001 0.000 0.203 421 K C 1.050 177.527 176.600 -0.204 0.000 1.052 421 K CA 1.477 57.692 56.287 -0.121 0.000 0.956 421 K CB -0.274 32.183 32.500 -0.071 0.000 0.735 421 K HN 0.202 nan 8.250 nan 0.000 0.451 422 D N 1.077 121.289 120.400 -0.314 0.000 2.340 422 D HA 0.027 4.667 4.640 0.001 0.000 0.217 422 D C -0.312 175.559 176.300 -0.714 0.000 1.081 422 D CA 0.278 53.983 54.000 -0.491 0.000 0.842 422 D CB 0.470 40.945 40.800 -0.542 0.000 0.934 422 D HN 0.142 nan 8.370 nan 0.000 0.511 423 T N 1.096 115.317 114.554 -0.555 0.000 2.851 423 T HA 0.169 4.520 4.350 0.001 0.000 0.298 423 T C 0.333 174.874 174.700 -0.266 0.000 0.977 423 T CA -0.097 61.741 62.100 -0.436 0.000 1.126 423 T CB 1.088 69.546 68.868 -0.684 0.000 0.916 423 T HN 0.076 nan 8.240 nan 0.000 0.529 424 C N 3.281 122.496 119.300 -0.142 0.000 2.319 424 C HA 0.307 4.767 4.460 0.001 0.000 0.335 424 C C 2.188 177.202 174.990 0.040 0.000 1.274 424 C CA -0.694 58.285 59.018 -0.065 0.000 1.806 424 C CB 0.580 28.300 27.740 -0.034 0.000 2.329 424 C HN 1.116 nan 8.230 nan 0.000 0.524 425 S N 1.323 117.061 115.700 0.064 0.000 2.442 425 S HA -0.179 4.291 4.470 0.001 0.000 0.236 425 S C 1.211 175.851 174.600 0.067 0.000 1.007 425 S CA 1.900 60.182 58.200 0.137 0.000 0.965 425 S CB -0.191 63.081 63.200 0.120 0.000 0.773 425 S HN 0.916 nan 8.310 nan 0.000 0.504 426 D N 0.714 121.154 120.400 0.067 0.000 2.380 426 D HA -0.023 4.617 4.640 0.001 0.000 0.212 426 D C 0.900 177.203 176.300 0.005 0.000 1.021 426 D CA 0.447 54.443 54.000 -0.007 0.000 0.884 426 D CB -0.711 40.254 40.800 0.275 0.000 1.001 426 D HN 0.125 nan 8.370 nan 0.000 0.506 427 D N 1.693 122.228 120.400 0.225 0.000 2.303 427 D HA -0.284 4.356 4.640 0.001 0.000 0.190 427 D C 1.987 178.472 176.300 0.310 0.000 1.011 427 D CA 2.409 56.637 54.000 0.380 0.000 0.860 427 D CB -0.996 39.965 40.800 0.269 0.000 0.961 427 D HN 0.674 nan 8.370 nan 0.000 0.453 428 H N -0.376 118.724 119.070 0.050 0.000 2.421 428 H HA 0.057 4.614 4.556 0.001 0.000 0.298 428 H C 2.293 177.715 175.328 0.156 0.000 1.087 428 H CA 0.759 56.835 56.048 0.047 0.000 1.330 428 H CB -0.757 28.909 29.762 -0.159 0.000 1.388 428 H HN 0.177 nan 8.280 nan 0.000 0.526 429 L N -0.735 120.254 121.223 -0.390 0.000 2.093 429 L HA -0.121 4.219 4.340 0.001 0.000 0.208 429 L C 1.880 178.713 176.870 -0.062 0.000 1.085 429 L CA 1.157 55.866 54.840 -0.218 0.000 0.755 429 L CB -0.512 41.308 42.059 -0.398 0.000 0.904 429 L HN 0.366 nan 8.230 nan 0.000 0.435 430 W N -0.417 120.973 121.300 0.151 0.000 2.392 430 W HA -0.211 4.450 4.660 0.001 0.000 0.279 430 W C 2.288 178.891 176.519 0.140 0.000 1.225 430 W CA 0.051 57.523 57.345 0.212 0.000 1.233 430 W CB -0.289 29.366 29.460 0.325 0.000 1.122 430 W HN 0.094 nan 8.180 nan 0.000 0.561 431 L N 0.310 121.763 121.223 0.384 0.000 2.131 431 L HA -0.205 4.136 4.340 0.001 0.000 0.210 431 L C 2.031 179.011 176.870 0.183 0.000 1.092 431 L CA 1.575 56.582 54.840 0.279 0.000 0.759 431 L CB -0.818 41.443 42.059 0.336 0.000 0.903 431 L HN -0.086 nan 8.230 nan 0.000 0.435 432 I N 0.411 121.055 120.570 0.124 0.000 2.113 432 I HA -0.187 3.983 4.170 0.001 0.000 0.238 432 I C 0.008 176.138 176.117 0.023 0.000 1.070 432 I CA 1.595 62.943 61.300 0.080 0.000 1.332 432 I CB -2.799 35.202 38.000 0.001 0.000 1.044 432 I HN 0.208 nan 8.210 nan 0.000 0.402 433 P HA -0.088 nan 4.420 nan 0.000 0.218 433 P C 1.776 179.032 177.300 -0.073 0.000 1.148 433 P CA 1.539 64.461 63.100 -0.297 0.000 0.822 433 P CB -0.106 31.049 31.700 -0.910 0.000 0.784 434 T N -0.698 113.854 114.554 -0.004 0.000 2.777 434 T HA -0.077 4.273 4.350 0.001 0.000 0.266 434 T C 1.727 176.495 174.700 0.113 0.000 1.040 434 T CA 1.041 63.157 62.100 0.026 0.000 1.141 434 T CB -0.784 68.112 68.868 0.047 0.000 0.868 434 T HN 0.073 nan 8.240 nan 0.000 0.444 435 I N 0.640 121.322 120.570 0.187 0.000 2.252 435 I HA -0.169 4.001 4.170 0.001 0.000 0.245 435 I C 2.624 178.978 176.117 0.394 0.000 1.102 435 I CA 0.763 62.246 61.300 0.304 0.000 1.385 435 I CB -0.424 37.812 38.000 0.393 0.000 1.064 435 I HN 0.326 nan 8.210 nan 0.000 0.414 436 C N 0.678 120.210 119.300 0.386 0.000 2.413 436 C HA -0.188 4.272 4.460 0.001 0.000 0.276 436 C C 2.852 177.946 174.990 0.174 0.000 1.248 436 C CA 1.034 60.322 59.018 0.450 0.000 1.742 436 C CB -0.867 27.079 27.740 0.344 0.000 2.017 436 C HN 0.428 nan 8.230 nan 0.000 0.481 437 K N 0.304 120.760 120.400 0.092 0.000 2.057 437 K HA -0.189 4.132 4.320 0.001 0.000 0.207 437 K C 1.941 178.575 176.600 0.056 0.000 1.049 437 K CA 1.570 57.872 56.287 0.025 0.000 0.931 437 K CB -0.743 31.774 32.500 0.029 0.000 0.714 437 K HN 0.586 nan 8.250 nan 0.000 0.440 438 Y N 0.258 120.563 120.300 0.009 0.000 2.128 438 Y HA -0.219 4.331 4.550 0.001 0.000 0.284 438 Y C 1.717 177.614 175.900 -0.005 0.000 1.154 438 Y CA 1.880 59.962 58.100 -0.030 0.000 1.149 438 Y CB -0.379 38.011 38.460 -0.117 0.000 0.976 438 Y HN -0.093 nan 8.280 nan 0.000 0.505 439 V N 0.532 120.425 119.914 -0.035 0.000 2.358 439 V HA -0.340 3.780 4.120 0.001 0.000 0.246 439 V C 2.414 178.547 176.094 0.064 0.000 1.047 439 V CA 2.165 64.458 62.300 -0.011 0.000 1.035 439 V CB -0.661 31.355 31.823 0.322 0.000 0.658 439 V HN 0.473 nan 8.190 nan 0.000 0.452 440 M N -0.292 119.308 119.600 0.001 0.000 2.080 440 M HA -0.224 4.256 4.480 0.001 0.000 0.260 440 M C 2.307 178.698 176.300 0.151 0.000 1.068 440 M CA 2.152 57.386 55.300 -0.110 0.000 1.109 440 M CB -0.435 31.916 32.600 -0.414 0.000 1.342 440 M HN 0.308 nan 8.290 nan 0.000 0.405 441 E N 0.308 120.555 120.200 0.079 0.000 2.047 441 E HA -0.148 4.202 4.350 0.001 0.000 0.191 441 E C 1.926 178.612 176.600 0.143 0.000 0.987 441 E CA 2.317 58.851 56.400 0.224 0.000 0.799 441 E CB -0.178 29.574 29.700 0.088 0.000 0.752 441 E HN 0.557 nan 8.360 nan 0.000 0.449 442 T N -4.175 110.275 114.554 -0.173 0.000 3.044 442 T HA 0.242 4.593 4.350 0.001 0.000 0.255 442 T C 1.638 176.231 174.700 -0.178 0.000 1.073 442 T CA 0.745 62.694 62.100 -0.251 0.000 1.125 442 T CB 0.077 68.629 68.868 -0.527 0.000 0.908 442 T HN 0.368 nan 8.240 nan 0.000 0.480 443 G N 1.458 110.199 108.800 -0.098 0.000 2.157 443 G HA2 -0.265 3.695 3.960 0.001 0.000 0.248 443 G HA3 -0.265 3.695 3.960 0.001 0.000 0.248 443 G C 0.011 174.923 174.900 0.021 0.000 0.979 443 G CA 0.230 45.329 45.100 -0.003 0.000 0.650 443 G HN 0.703 nan 8.290 nan 0.000 0.529 444 E N 1.779 121.946 120.200 -0.054 0.000 1.999 444 E HA 0.275 4.625 4.350 0.001 0.000 0.296 444 E C 2.012 178.666 176.600 0.090 0.000 1.187 444 E CA 0.510 56.915 56.400 0.008 0.000 1.229 444 E CB -0.422 29.263 29.700 -0.025 0.000 1.131 444 E HN 0.515 nan 8.360 nan 0.000 0.478 445 T N -1.722 112.935 114.554 0.172 0.000 2.962 445 T HA -0.182 4.168 4.350 0.001 0.000 0.270 445 T C 1.835 176.683 174.700 0.246 0.000 1.088 445 T CA 1.198 63.474 62.100 0.294 0.000 1.127 445 T CB -0.148 68.936 68.868 0.360 0.000 0.883 445 T HN 0.279 nan 8.240 nan 0.000 0.493 446 S N 0.632 116.431 115.700 0.165 0.000 2.474 446 S HA -0.020 4.451 4.470 0.001 0.000 0.235 446 S C 1.585 176.273 174.600 0.147 0.000 0.997 446 S CA 0.162 58.446 58.200 0.139 0.000 0.949 446 S CB -1.048 62.214 63.200 0.103 0.000 0.766 446 S HN 0.439 nan 8.310 nan 0.000 0.517 447 F N 2.379 122.294 119.950 -0.057 0.000 2.161 447 F HA 0.002 4.529 4.527 0.001 0.000 0.300 447 F C 1.433 177.176 175.800 -0.095 0.000 1.089 447 F CA 0.504 58.435 58.000 -0.114 0.000 1.282 447 F CB -0.670 38.224 39.000 -0.176 0.000 1.010 447 F HN 0.174 nan 8.300 nan 0.000 0.485 448 F N 0.575 120.584 119.950 0.098 0.000 2.333 448 F HA -0.183 4.345 4.527 0.001 0.000 0.300 448 F C 2.231 178.010 175.800 -0.036 0.000 1.083 448 F CA 1.398 59.412 58.000 0.023 0.000 1.395 448 F CB -0.800 38.261 39.000 0.103 0.000 1.056 448 F HN 0.039 nan 8.300 nan 0.000 0.529 449 D N -0.605 119.857 120.400 0.103 0.000 2.354 449 D HA -0.060 4.581 4.640 0.001 0.000 0.209 449 D C 1.000 177.292 176.300 -0.014 0.000 1.015 449 D CA 0.148 54.177 54.000 0.048 0.000 0.867 449 D CB -0.198 40.627 40.800 0.042 0.000 0.933 449 D HN 0.326 nan 8.370 nan 0.000 0.520 450 Q N 0.857 120.599 119.800 -0.096 0.000 2.300 450 Q HA 0.021 4.362 4.340 0.001 0.000 0.280 450 Q C -0.274 175.653 176.000 -0.121 0.000 1.033 450 Q CA 0.062 55.794 55.803 -0.118 0.000 0.903 450 Q CB 0.566 29.192 28.738 -0.186 0.000 1.195 450 Q HN -0.127 nan 8.270 nan 0.000 0.386 451 M N 5.204 124.765 119.600 -0.065 0.000 2.120 451 M HA 0.366 4.847 4.480 0.001 0.000 0.354 451 M C -0.597 175.658 176.300 -0.075 0.000 1.287 451 M CA 0.047 55.319 55.300 -0.048 0.000 1.103 451 M CB 0.240 32.830 32.600 -0.016 0.000 1.623 451 M HN 0.538 nan 8.290 nan 0.000 0.471 452 I N 6.151 126.665 120.570 -0.093 0.000 2.498 452 I HA 0.381 4.551 4.170 0.001 0.000 0.290 452 I C -2.133 173.942 176.117 -0.070 0.000 1.032 452 I CA -1.953 59.268 61.300 -0.131 0.000 1.073 452 I CB 2.787 40.581 38.000 -0.343 0.000 1.251 452 I HN 0.376 nan 8.210 nan 0.000 0.426 453 P HA 0.071 nan 4.420 nan 0.000 0.271 453 P C -1.261 175.977 177.300 -0.103 0.000 1.218 453 P CA 0.045 63.108 63.100 -0.061 0.000 0.780 453 P CB 0.549 32.251 31.700 0.002 0.000 0.901 454 Y N 0.780 121.064 120.300 -0.027 0.000 2.301 454 Y HA 0.238 4.789 4.550 0.001 0.000 0.328 454 Y C 2.072 177.851 175.900 -0.201 0.000 1.242 454 Y CA 0.128 58.160 58.100 -0.114 0.000 1.323 454 Y CB 0.259 38.606 38.460 -0.187 0.000 1.266 454 Y HN 0.470 nan 8.280 nan 0.000 0.527 455 A N 1.095 123.807 122.820 -0.180 0.000 1.978 455 A HA -0.188 4.133 4.320 0.001 0.000 0.220 455 A C 1.310 178.851 177.584 -0.072 0.000 1.170 455 A CA 1.927 53.726 52.037 -0.397 0.000 0.636 455 A CB -0.609 18.025 19.000 -0.610 0.000 0.810 455 A HN 0.802 nan 8.150 nan 0.000 0.448 456 D N -1.687 118.676 120.400 -0.061 0.000 2.491 456 D HA 0.400 5.040 4.640 0.001 0.000 0.228 456 D C 0.606 176.905 176.300 -0.002 0.000 1.183 456 D CA 0.486 54.468 54.000 -0.030 0.000 0.827 456 D CB -0.660 40.086 40.800 -0.091 0.000 0.989 456 D HN 0.932 nan 8.370 nan 0.000 0.494 457 G N -0.978 107.846 108.800 0.040 0.000 2.784 457 G HA2 0.450 4.411 3.960 0.001 0.000 0.686 457 G HA3 0.450 4.411 3.960 0.001 0.000 0.686 457 G C 0.212 175.160 174.900 0.080 0.000 1.156 457 G CA -0.238 44.892 45.100 0.050 0.000 0.757 457 G HN 1.195 nan 8.290 nan 0.000 0.642 458 G N 0.368 109.216 108.800 0.080 0.000 2.757 458 G HA2 0.561 4.522 3.960 0.001 0.000 0.638 458 G HA3 0.561 4.522 3.960 0.001 0.000 0.638 458 G C -0.238 174.736 174.900 0.123 0.000 1.344 458 G CA 0.748 45.909 45.100 0.102 0.000 0.855 458 G HN 2.667 nan 8.290 nan 0.000 0.537 459 E N -1.343 118.916 120.200 0.098 0.000 2.445 459 E HA 0.857 5.208 4.350 0.001 0.000 0.279 459 E C -0.356 176.223 176.600 -0.035 0.000 1.018 459 E CA -0.695 55.692 56.400 -0.022 0.000 0.816 459 E CB 1.656 31.348 29.700 -0.013 0.000 1.356 459 E HN 2.385 nan 8.360 nan 0.000 0.462 460 A N 0.556 123.297 122.820 -0.132 0.000 2.586 460 A HA 0.615 4.936 4.320 0.001 0.000 0.291 460 A C -0.667 176.941 177.584 0.040 0.000 1.062 460 A CA -0.347 51.661 52.037 -0.049 0.000 0.666 460 A CB 1.091 20.040 19.000 -0.084 0.000 1.281 460 A HN 0.962 nan 8.150 nan 0.000 0.421 461 S N -0.177 115.576 115.700 0.088 0.000 2.600 461 S HA 0.356 4.827 4.470 0.001 0.000 0.265 461 S C 1.176 175.871 174.600 0.158 0.000 1.325 461 S CA 0.121 58.379 58.200 0.096 0.000 1.002 461 S CB 0.802 64.083 63.200 0.135 0.000 0.921 461 S HN 1.372 nan 8.310 nan 0.000 0.554 462 V N 1.262 121.181 119.914 0.009 0.000 2.392 462 V HA -0.174 3.947 4.120 0.001 0.000 0.249 462 V C 2.011 178.251 176.094 0.243 0.000 1.059 462 V CA 2.257 64.528 62.300 -0.049 0.000 1.051 462 V CB -1.437 30.143 31.823 -0.405 0.000 0.658 462 V HN 0.928 nan 8.190 nan 0.000 0.455 463 Y N 1.190 121.614 120.300 0.207 0.000 2.165 463 Y HA -0.209 4.341 4.550 0.001 0.000 0.286 463 Y C 2.603 178.631 175.900 0.213 0.000 1.155 463 Y CA 1.927 60.181 58.100 0.257 0.000 1.164 463 Y CB -0.060 38.507 38.460 0.178 0.000 0.978 463 Y HN 0.241 nan 8.280 nan 0.000 0.513 464 E N -0.998 119.332 120.200 0.217 0.000 2.208 464 E HA -0.178 4.172 4.350 0.001 0.000 0.193 464 E C 2.170 178.810 176.600 0.067 0.000 0.988 464 E CA 0.961 57.418 56.400 0.094 0.000 0.828 464 E CB -0.461 29.319 29.700 0.133 0.000 0.763 464 E HN 0.678 nan 8.360 nan 0.000 0.478 465 H N 0.131 119.219 119.070 0.031 0.000 2.353 465 H HA -0.011 4.546 4.556 0.001 0.000 0.300 465 H C 2.211 177.546 175.328 0.012 0.000 1.090 465 H CA 1.324 57.404 56.048 0.053 0.000 1.327 465 H CB 0.069 29.805 29.762 -0.043 0.000 1.383 465 H HN 0.162 nan 8.280 nan 0.000 0.508 466 M N 0.467 120.124 119.600 0.095 0.000 2.108 466 M HA -0.179 4.301 4.480 0.001 0.000 0.261 466 M C 2.274 178.365 176.300 -0.349 0.000 1.066 466 M CA 1.613 56.871 55.300 -0.070 0.000 1.107 466 M CB -0.140 32.456 32.600 -0.005 0.000 1.356 466 M HN 0.104 nan 8.290 nan 0.000 0.406 467 K N 0.309 120.446 120.400 -0.438 0.000 2.097 467 K HA -0.030 4.290 4.320 0.001 0.000 0.205 467 K C 2.123 178.616 176.600 -0.179 0.000 1.050 467 K CA 1.265 57.260 56.287 -0.485 0.000 0.938 467 K CB -0.262 32.050 32.500 -0.312 0.000 0.718 467 K HN 0.290 nan 8.250 nan 0.000 0.442 468 A N 1.580 124.346 122.820 -0.091 0.000 1.933 468 A HA -0.132 4.189 4.320 0.001 0.000 0.218 468 A C 2.354 179.909 177.584 -0.049 0.000 1.175 468 A CA 1.858 53.863 52.037 -0.054 0.000 0.628 468 A CB -0.623 18.337 19.000 -0.067 0.000 0.814 468 A HN 0.329 nan 8.150 nan 0.000 0.444 469 A N -0.243 122.548 122.820 -0.049 0.000 1.873 469 A HA 0.018 4.338 4.320 0.001 0.000 0.215 469 A C 2.148 179.791 177.584 0.098 0.000 1.186 469 A CA 1.397 53.435 52.037 0.002 0.000 0.616 469 A CB -0.580 18.502 19.000 0.137 0.000 0.823 469 A HN 0.458 nan 8.150 nan 0.000 0.442 470 L N -0.402 120.825 121.223 0.007 0.000 2.093 470 L HA -0.173 4.168 4.340 0.001 0.000 0.208 470 L C 1.884 178.896 176.870 0.236 0.000 1.085 470 L CA 1.315 56.219 54.840 0.107 0.000 0.755 470 L CB -0.636 41.314 42.059 -0.181 0.000 0.904 470 L HN 0.297 nan 8.230 nan 0.000 0.435 471 D N -0.348 120.151 120.400 0.165 0.000 2.178 471 D HA -0.189 4.451 4.640 0.001 0.000 0.202 471 D C 1.892 178.278 176.300 0.144 0.000 0.974 471 D CA 0.986 55.089 54.000 0.171 0.000 0.841 471 D CB -0.168 40.703 40.800 0.120 0.000 0.953 471 D HN 0.215 nan 8.370 nan 0.000 0.478 472 F N 1.727 121.669 119.950 -0.013 0.000 2.134 472 F HA -0.202 4.325 4.527 0.001 0.000 0.299 472 F C 2.286 178.123 175.800 0.061 0.000 1.097 472 F CA 1.260 59.251 58.000 -0.016 0.000 1.264 472 F CB -0.012 38.824 39.000 -0.273 0.000 1.001 472 F HN -0.179 nan 8.300 nan 0.000 0.479 473 S N 0.171 115.947 115.700 0.127 0.000 2.428 473 S HA -0.041 4.429 4.470 0.001 0.000 0.230 473 S C 2.176 176.715 174.600 -0.101 0.000 1.014 473 S CA 0.729 58.864 58.200 -0.109 0.000 0.957 473 S CB -0.543 62.285 63.200 -0.619 0.000 0.784 473 S HN 0.519 nan 8.310 nan 0.000 0.499 474 A N 1.322 124.188 122.820 0.077 0.000 1.968 474 A HA -0.052 4.269 4.320 0.001 0.000 0.217 474 A C 2.019 179.623 177.584 0.034 0.000 1.169 474 A CA 1.272 53.423 52.037 0.190 0.000 0.638 474 A CB -0.351 18.783 19.000 0.224 0.000 0.812 474 A HN 0.552 nan 8.150 nan 0.000 0.446 475 E N -1.355 118.821 120.200 -0.039 0.000 2.076 475 E HA -0.108 4.242 4.350 0.001 0.000 0.190 475 E C -0.233 176.186 176.600 -0.302 0.000 0.979 475 E CA 0.395 56.699 56.400 -0.161 0.000 0.807 475 E CB -0.077 29.518 29.700 -0.175 0.000 0.761 475 E HN 0.618 nan 8.360 nan 0.000 0.454 476 Y N 1.660 121.735 120.300 -0.375 0.000 2.667 476 Y HA 0.160 4.710 4.550 0.001 0.000 0.340 476 Y C 0.008 175.808 175.900 -0.167 0.000 1.303 476 Y CA -0.526 57.378 58.100 -0.327 0.000 1.769 476 Y CB 0.186 38.332 38.460 -0.524 0.000 1.804 476 Y HN -0.068 nan 8.280 nan 0.000 0.451 477 V N -1.821 118.047 119.914 -0.076 0.000 3.126 477 V HA 1.017 5.137 4.120 0.001 0.000 0.314 477 V C 0.415 176.470 176.094 -0.064 0.000 1.138 477 V CA -0.995 61.284 62.300 -0.035 0.000 1.034 477 V CB 1.398 33.215 31.823 -0.009 0.000 1.075 477 V HN 0.407 nan 8.190 nan 0.000 0.442 478 G N 0.251 109.019 108.800 -0.053 0.000 2.543 478 G HA2 0.411 4.371 3.960 0.001 0.000 0.290 478 G HA3 0.411 4.371 3.960 0.001 0.000 0.290 478 G C 0.423 175.279 174.900 -0.074 0.000 1.310 478 G CA 0.057 45.117 45.100 -0.068 0.000 1.025 478 G HN 1.116 nan 8.290 nan 0.000 0.502 479 Q N -1.738 118.014 119.800 -0.079 0.000 2.364 479 Q HA -0.090 4.251 4.340 0.001 0.000 0.207 479 Q C 1.770 177.715 176.000 -0.091 0.000 0.970 479 Q CA 1.819 57.579 55.803 -0.073 0.000 0.888 479 Q CB -0.435 28.265 28.738 -0.063 0.000 0.951 479 Q HN 0.505 nan 8.270 nan 0.000 0.469 480 T N -3.863 110.598 114.554 -0.155 0.000 3.081 480 T HA 0.355 4.705 4.350 0.001 0.000 0.255 480 T C 1.350 175.977 174.700 -0.121 0.000 1.113 480 T CA 0.297 62.230 62.100 -0.279 0.000 1.082 480 T CB 0.475 68.960 68.868 -0.638 0.000 0.939 480 T HN 0.585 nan 8.240 nan 0.000 0.506 481 G N 1.321 110.084 108.800 -0.061 0.000 2.134 481 G HA2 -0.128 3.833 3.960 0.001 0.000 0.209 481 G HA3 -0.128 3.833 3.960 0.001 0.000 0.209 481 G C -0.172 174.739 174.900 0.018 0.000 0.993 481 G CA -0.241 44.861 45.100 0.004 0.000 0.669 481 G HN 0.505 nan 8.290 nan 0.000 0.519 482 I N 0.940 121.497 120.570 -0.021 0.000 2.392 482 I HA 0.353 4.524 4.170 0.001 0.000 0.295 482 I C 1.339 177.452 176.117 -0.007 0.000 0.985 482 I CA -1.215 60.075 61.300 -0.018 0.000 1.221 482 I CB 0.980 38.951 38.000 -0.049 0.000 1.366 482 I HN 0.115 nan 8.210 nan 0.000 0.467 483 C N 5.598 124.904 119.300 0.011 0.000 2.596 483 C HA 0.040 4.501 4.460 0.001 0.000 0.414 483 C C 1.185 176.187 174.990 0.019 0.000 1.396 483 C CA -0.518 58.515 59.018 0.025 0.000 1.698 483 C CB -0.912 26.848 27.740 0.033 0.000 2.572 483 C HN 0.627 nan 8.230 nan 0.000 0.604 484 K N 2.128 122.553 120.400 0.041 0.000 2.382 484 K HA 0.197 4.518 4.320 0.001 0.000 0.275 484 K C 1.347 177.978 176.600 0.051 0.000 1.009 484 K CA 0.329 56.642 56.287 0.043 0.000 0.970 484 K CB 0.590 33.134 32.500 0.074 0.000 0.934 484 K HN 0.939 nan 8.250 nan 0.000 0.479 485 G N 3.085 111.904 108.800 0.031 0.000 2.448 485 G HA2 -0.080 3.881 3.960 0.001 0.000 0.218 485 G HA3 -0.080 3.881 3.960 0.001 0.000 0.218 485 G C 0.680 175.593 174.900 0.023 0.000 1.135 485 G CA 0.198 45.316 45.100 0.030 0.000 0.784 485 G HN 0.677 nan 8.290 nan 0.000 0.543 486 L N -2.007 119.228 121.223 0.021 0.000 7.187 486 L HA -0.363 3.978 4.340 0.001 0.000 0.053 486 L C 2.157 179.002 176.870 -0.042 0.000 1.569 486 L CA 1.183 56.022 54.840 -0.001 0.000 1.592 486 L CB -0.834 41.224 42.059 -0.000 0.000 2.792 486 L HN 0.307 nan 8.230 nan 0.000 1.114 487 R N 1.018 121.465 120.500 -0.087 0.000 2.091 487 R HA 0.165 4.505 4.340 0.001 0.000 0.238 487 R C 0.065 176.300 176.300 -0.109 0.000 1.136 487 R CA 1.978 58.003 56.100 -0.124 0.000 0.959 487 R CB -0.158 30.019 30.300 -0.204 0.000 0.856 487 R HN 0.801 nan 8.270 nan 0.000 0.437 488 A N -0.382 122.386 122.820 -0.087 0.000 2.586 488 A HA 0.358 4.679 4.320 0.001 0.000 0.298 488 A C -1.442 176.144 177.584 0.003 0.000 1.013 488 A CA -0.469 51.534 52.037 -0.056 0.000 0.707 488 A CB 0.400 19.336 19.000 -0.106 0.000 1.276 488 A HN 0.325 nan 8.150 nan 0.000 0.414 489 D N -0.015 120.421 120.400 0.059 0.000 2.481 489 D HA 0.265 4.905 4.640 0.001 0.000 0.283 489 D C 1.241 177.674 176.300 0.222 0.000 1.192 489 D CA 0.106 54.200 54.000 0.157 0.000 1.100 489 D CB -0.498 40.411 40.800 0.181 0.000 1.166 489 D HN 0.644 nan 8.370 nan 0.000 0.584 490 W N 0.701 122.140 121.300 0.231 0.000 2.304 490 W HA -0.141 4.520 4.660 0.001 0.000 0.315 490 W C 0.684 177.265 176.519 0.102 0.000 1.233 490 W CA 1.677 59.190 57.345 0.281 0.000 1.261 490 W CB -0.297 29.430 29.460 0.445 0.000 1.150 490 W HN 0.246 nan 8.180 nan 0.000 0.494 491 N N 1.792 120.554 118.700 0.103 0.000 2.402 491 N HA -0.073 4.667 4.740 0.001 0.000 0.259 491 N C 0.477 175.868 175.510 -0.198 0.000 1.167 491 N CA 0.569 53.494 53.050 -0.208 0.000 0.949 491 N CB 0.297 38.844 38.487 0.100 0.000 1.212 491 N HN 0.176 nan 8.380 nan 0.000 0.493 492 D N 2.228 122.441 120.400 -0.312 0.000 2.265 492 D HA -0.113 4.528 4.640 0.001 0.000 0.208 492 D C 0.790 177.021 176.300 -0.114 0.000 0.977 492 D CA 1.042 54.935 54.000 -0.179 0.000 0.871 492 D CB 0.197 40.902 40.800 -0.158 0.000 0.925 492 D HN 0.536 nan 8.370 nan 0.000 0.485 493 C N 0.558 119.805 119.300 -0.088 0.000 2.559 493 C HA 0.265 4.725 4.460 0.001 0.000 0.300 493 C C 0.660 175.654 174.990 0.007 0.000 1.288 493 C CA -0.703 58.324 59.018 0.016 0.000 1.699 493 C CB -1.177 26.610 27.740 0.079 0.000 1.819 493 C HN 0.103 nan 8.230 nan 0.000 0.600 494 L N 2.759 123.970 121.223 -0.021 0.000 2.337 494 L HA 0.457 4.797 4.340 0.001 0.000 0.269 494 L C -1.075 175.783 176.870 -0.021 0.000 1.018 494 L CA -0.025 54.806 54.840 -0.016 0.000 0.876 494 L CB -0.265 41.804 42.059 0.018 0.000 1.236 494 L HN 0.165 nan 8.230 nan 0.000 0.436 495 N N 5.246 123.929 118.700 -0.027 0.000 2.621 495 N HA 0.364 5.105 4.740 0.001 0.000 0.237 495 N C 0.394 175.886 175.510 -0.030 0.000 0.997 495 N CA -0.416 52.614 53.050 -0.034 0.000 0.918 495 N CB 1.254 39.718 38.487 -0.037 0.000 1.122 495 N HN 0.520 nan 8.380 nan 0.000 0.510 496 L N 0.715 121.923 121.223 -0.024 0.000 2.513 496 L HA 0.317 4.657 4.340 0.001 0.000 0.222 496 L C 1.769 178.629 176.870 -0.017 0.000 1.096 496 L CA 0.120 54.947 54.840 -0.021 0.000 0.857 496 L CB -0.444 41.606 42.059 -0.015 0.000 1.026 496 L HN 0.737 nan 8.230 nan 0.000 0.469 497 G N 1.418 110.208 108.800 -0.017 0.000 2.698 497 G HA2 -0.431 3.530 3.960 0.001 0.000 0.337 497 G HA3 -0.431 3.530 3.960 0.001 0.000 0.337 497 G C 1.071 175.972 174.900 0.001 0.000 1.196 497 G CA 0.449 45.542 45.100 -0.012 0.000 0.965 497 G HN 0.407 nan 8.290 nan 0.000 0.550 498 G N 1.802 110.599 108.800 -0.005 0.000 2.679 498 G HA2 0.446 4.406 3.960 0.001 0.000 0.212 498 G HA3 0.446 4.406 3.960 0.001 0.000 0.212 498 G C 1.102 175.995 174.900 -0.012 0.000 1.137 498 G CA 1.201 46.297 45.100 -0.007 0.000 0.787 498 G HN 1.460 nan 8.290 nan 0.000 0.534 499 G N -0.322 108.471 108.800 -0.012 0.000 2.684 499 G HA2 0.461 4.422 3.960 0.001 0.000 0.255 499 G HA3 0.461 4.422 3.960 0.001 0.000 0.255 499 G C -0.520 174.374 174.900 -0.011 0.000 1.219 499 G CA -0.512 44.579 45.100 -0.015 0.000 0.901 499 G HN 0.377 nan 8.290 nan 0.000 0.548 500 E N -0.856 119.335 120.200 -0.016 0.000 2.212 500 E HA 0.450 4.801 4.350 0.001 0.000 0.268 500 E C -0.901 175.688 176.600 -0.018 0.000 0.902 500 E CA -0.605 55.785 56.400 -0.018 0.000 0.779 500 E CB 2.054 31.734 29.700 -0.032 0.000 1.172 500 E HN 0.321 nan 8.360 nan 0.000 0.409 501 S N 1.275 116.964 115.700 -0.018 0.000 2.456 501 S HA 0.196 4.667 4.470 0.001 0.000 0.316 501 S C 0.622 175.172 174.600 -0.084 0.000 1.089 501 S CA -0.531 57.658 58.200 -0.019 0.000 1.101 501 S CB 1.236 64.451 63.200 0.025 0.000 0.995 501 S HN 0.488 nan 8.310 nan 0.000 0.468 502 S N 5.545 121.177 115.700 -0.114 0.000 2.368 502 S HA -0.124 4.347 4.470 0.001 0.000 0.225 502 S C 2.040 176.396 174.600 -0.407 0.000 1.030 502 S CA 1.111 59.106 58.200 -0.341 0.000 0.999 502 S CB -0.363 62.747 63.200 -0.150 0.000 0.844 502 S HN 0.851 nan 8.310 nan 0.000 0.459 503 M N 1.825 121.404 119.600 -0.034 0.000 2.106 503 M HA -0.114 4.366 4.480 0.001 0.000 0.259 503 M C 1.941 178.275 176.300 0.057 0.000 1.068 503 M CA 1.732 57.107 55.300 0.125 0.000 1.100 503 M CB -0.902 31.837 32.600 0.232 0.000 1.351 503 M HN 0.208 nan 8.290 nan 0.000 0.404 504 V N -0.208 119.719 119.914 0.021 0.000 2.358 504 V HA -0.208 3.912 4.120 0.001 0.000 0.246 504 V C 2.480 178.580 176.094 0.010 0.000 1.047 504 V CA 1.911 64.216 62.300 0.009 0.000 1.035 504 V CB -0.909 30.928 31.823 0.025 0.000 0.658 504 V HN 0.496 nan 8.190 nan 0.000 0.452 505 S N -0.280 115.381 115.700 -0.065 0.000 2.382 505 S HA -0.115 4.355 4.470 0.001 0.000 0.228 505 S C 1.769 176.419 174.600 0.084 0.000 1.027 505 S CA 1.473 59.663 58.200 -0.018 0.000 0.991 505 S CB -0.346 62.748 63.200 -0.176 0.000 0.823 505 S HN 0.520 nan 8.310 nan 0.000 0.469 506 F N 1.162 121.150 119.950 0.064 0.000 2.146 506 F HA 0.048 4.576 4.527 0.001 0.000 0.298 506 F C 2.006 177.863 175.800 0.095 0.000 1.096 506 F CA 0.045 58.065 58.000 0.035 0.000 1.275 506 F CB -1.122 37.828 39.000 -0.083 0.000 1.008 506 F HN 0.178 nan 8.300 nan 0.000 0.480 507 L N -0.321 121.009 121.223 0.177 0.000 2.046 507 L HA -0.214 4.126 4.340 0.001 0.000 0.208 507 L C 2.474 179.443 176.870 0.165 0.000 1.077 507 L CA 1.973 56.829 54.840 0.026 0.000 0.747 507 L CB -1.171 40.687 42.059 -0.335 0.000 0.896 507 L HN 0.300 nan 8.230 nan 0.000 0.432 508 H N -1.941 117.170 119.070 0.068 0.000 2.352 508 H HA -0.258 4.298 4.556 0.001 0.000 0.299 508 H C 2.102 177.535 175.328 0.175 0.000 1.097 508 H CA 1.745 57.848 56.048 0.093 0.000 1.311 508 H CB -0.084 29.746 29.762 0.112 0.000 1.377 508 H HN 0.450 nan 8.280 nan 0.000 0.504 509 F N 0.262 120.299 119.950 0.145 0.000 2.102 509 F HA -0.237 4.290 4.527 0.001 0.000 0.298 509 F C 2.323 178.240 175.800 0.195 0.000 1.105 509 F CA 1.679 59.743 58.000 0.107 0.000 1.239 509 F CB -0.545 38.552 39.000 0.162 0.000 0.991 509 F HN 0.289 nan 8.300 nan 0.000 0.474 510 W N 1.249 122.644 121.300 0.160 0.000 2.335 510 W HA -0.183 4.477 4.660 0.001 0.000 0.311 510 W C 2.369 178.899 176.519 0.019 0.000 1.213 510 W CA 2.480 59.870 57.345 0.075 0.000 1.274 510 W CB -1.149 28.354 29.460 0.073 0.000 1.148 510 W HN 0.085 nan 8.180 nan 0.000 0.498 511 A N 0.204 123.007 122.820 -0.029 0.000 1.908 511 A HA -0.186 4.135 4.320 0.001 0.000 0.218 511 A C 2.230 179.758 177.584 -0.095 0.000 1.181 511 A CA 1.939 53.877 52.037 -0.165 0.000 0.627 511 A CB -1.073 17.899 19.000 -0.046 0.000 0.818 511 A HN 0.380 nan 8.150 nan 0.000 0.445 512 L N -0.878 120.287 121.223 -0.097 0.000 2.056 512 L HA -0.210 4.131 4.340 0.001 0.000 0.207 512 L C 2.895 179.707 176.870 -0.097 0.000 1.078 512 L CA 1.141 55.917 54.840 -0.107 0.000 0.749 512 L CB -0.508 41.420 42.059 -0.219 0.000 0.901 512 L HN 0.375 nan 8.230 nan 0.000 0.433 513 Q N -0.135 119.537 119.800 -0.215 0.000 2.124 513 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 513 Q C 2.142 178.138 176.000 -0.007 0.000 0.977 513 Q CA 1.232 56.954 55.803 -0.136 0.000 0.850 513 Q CB -0.205 28.465 28.738 -0.113 0.000 0.901 513 Q HN 0.478 nan 8.270 nan 0.000 0.429 514 E N -0.090 120.092 120.200 -0.030 0.000 2.072 514 E HA -0.120 4.230 4.350 0.001 0.000 0.191 514 E C 1.788 178.448 176.600 0.100 0.000 0.985 514 E CA 0.542 56.949 56.400 0.012 0.000 0.801 514 E CB -0.347 29.273 29.700 -0.134 0.000 0.750 514 E HN 0.275 nan 8.360 nan 0.000 0.452 515 F N 1.312 121.220 119.950 -0.071 0.000 2.186 515 F HA -0.096 4.431 4.527 0.001 0.000 0.299 515 F C 2.174 177.953 175.800 -0.036 0.000 1.090 515 F CA 0.828 58.777 58.000 -0.084 0.000 1.307 515 F CB -0.131 38.728 39.000 -0.235 0.000 1.019 515 F HN -0.086 nan 8.300 nan 0.000 0.489 516 I N -0.018 120.576 120.570 0.040 0.000 2.179 516 I HA -0.314 3.857 4.170 0.001 0.000 0.242 516 I C 1.996 178.094 176.117 -0.031 0.000 1.088 516 I CA 1.529 62.835 61.300 0.010 0.000 1.357 516 I CB -0.589 37.446 38.000 0.058 0.000 1.051 516 I HN 0.044 nan 8.210 nan 0.000 0.409 517 D N 0.687 121.106 120.400 0.032 0.000 2.149 517 D HA -0.179 4.461 4.640 0.001 0.000 0.198 517 D C 2.002 178.339 176.300 0.061 0.000 0.990 517 D CA 1.150 55.208 54.000 0.097 0.000 0.839 517 D CB -0.225 40.686 40.800 0.185 0.000 0.948 517 D HN 0.207 nan 8.370 nan 0.000 0.460 518 L N 1.080 122.273 121.223 -0.049 0.000 2.005 518 L HA -0.045 4.295 4.340 0.001 0.000 0.207 518 L C 2.198 178.842 176.870 -0.377 0.000 1.072 518 L CA 1.965 56.621 54.840 -0.306 0.000 0.744 518 L CB -0.918 40.916 42.059 -0.375 0.000 0.895 518 L HN -0.030 nan 8.230 nan 0.000 0.433 519 A N -0.562 121.991 122.820 -0.446 0.000 1.940 519 A HA -0.297 4.023 4.320 0.001 0.000 0.219 519 A C 2.463 179.937 177.584 -0.183 0.000 1.176 519 A CA 2.157 54.002 52.037 -0.320 0.000 0.631 519 A CB -0.701 18.147 19.000 -0.253 0.000 0.814 519 A HN 0.540 nan 8.150 nan 0.000 0.446 520 K N -1.620 118.717 120.400 -0.105 0.000 2.057 520 K HA -0.161 4.160 4.320 0.001 0.000 0.207 520 K C 1.762 178.345 176.600 -0.028 0.000 1.049 520 K CA 1.693 57.959 56.287 -0.034 0.000 0.931 520 K CB -0.325 32.190 32.500 0.024 0.000 0.714 520 K HN 0.426 nan 8.250 nan 0.000 0.440 521 F N 1.235 121.063 119.950 -0.203 0.000 2.234 521 F HA -0.046 4.482 4.527 0.001 0.000 0.299 521 F C 1.292 176.940 175.800 -0.254 0.000 1.087 521 F CA 1.157 59.019 58.000 -0.230 0.000 1.340 521 F CB 0.062 38.817 39.000 -0.409 0.000 1.031 521 F HN -0.037 nan 8.300 nan 0.000 0.500 522 L N -0.162 120.768 121.223 -0.489 0.000 2.591 522 L HA 0.248 4.589 4.340 0.001 0.000 0.228 522 L C 1.594 178.240 176.870 -0.374 0.000 1.133 522 L CA 0.537 55.044 54.840 -0.555 0.000 0.880 522 L CB -0.987 40.747 42.059 -0.542 0.000 1.033 522 L HN 0.363 nan 8.230 nan 0.000 0.450 523 G N 0.851 109.489 108.800 -0.270 0.000 2.198 523 G HA2 -0.301 3.660 3.960 0.001 0.000 0.260 523 G HA3 -0.301 3.660 3.960 0.001 0.000 0.260 523 G C 0.178 174.996 174.900 -0.137 0.000 1.025 523 G CA 0.092 45.087 45.100 -0.174 0.000 0.769 523 G HN 0.221 nan 8.290 nan 0.000 0.507 524 K N 1.279 121.595 120.400 -0.139 0.000 2.518 524 K HA 0.310 4.630 4.320 0.001 0.000 0.244 524 K C 1.349 177.946 176.600 -0.004 0.000 1.232 524 K CA -0.223 56.022 56.287 -0.071 0.000 1.189 524 K CB 0.258 32.724 32.500 -0.057 0.000 1.737 524 K HN 0.276 nan 8.250 nan 0.000 0.333 525 D N 0.560 120.953 120.400 -0.011 0.000 2.133 525 D HA -0.254 4.386 4.640 0.001 0.000 0.192 525 D C 1.527 177.849 176.300 0.038 0.000 1.001 525 D CA 1.359 55.365 54.000 0.009 0.000 0.844 525 D CB 0.324 41.124 40.800 -0.001 0.000 0.944 525 D HN 0.348 nan 8.370 nan 0.000 0.447 526 Q N 0.877 120.705 119.800 0.046 0.000 2.084 526 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 526 Q C 1.456 177.514 176.000 0.096 0.000 0.978 526 Q CA 1.499 57.336 55.803 0.057 0.000 0.844 526 Q CB -0.179 28.593 28.738 0.056 0.000 0.898 526 Q HN 0.181 nan 8.270 nan 0.000 0.426 527 D N -1.022 119.484 120.400 0.177 0.000 2.178 527 D HA -0.106 4.535 4.640 0.001 0.000 0.202 527 D C 1.865 178.363 176.300 0.329 0.000 0.974 527 D CA 0.975 55.183 54.000 0.346 0.000 0.841 527 D CB -0.044 41.061 40.800 0.510 0.000 0.953 527 D HN 0.142 nan 8.370 nan 0.000 0.478 528 V N 1.914 121.934 119.914 0.177 0.000 2.287 528 V HA -0.248 3.873 4.120 0.001 0.000 0.248 528 V C 2.127 178.288 176.094 0.112 0.000 1.053 528 V CA 1.513 63.891 62.300 0.130 0.000 1.027 528 V CB -0.398 31.461 31.823 0.059 0.000 0.646 528 V HN 0.184 nan 8.190 nan 0.000 0.447 529 N N -0.097 118.644 118.700 0.069 0.000 2.106 529 N HA -0.132 4.609 4.740 0.001 0.000 0.188 529 N C 1.925 177.433 175.510 -0.003 0.000 1.029 529 N CA 1.994 55.063 53.050 0.033 0.000 0.848 529 N CB -0.757 37.740 38.487 0.017 0.000 1.007 529 N HN 0.441 nan 8.380 nan 0.000 0.423 530 T N 0.894 115.416 114.554 -0.054 0.000 2.607 530 T HA -0.152 4.199 4.350 0.001 0.000 0.267 530 T C 1.725 176.241 174.700 -0.307 0.000 1.049 530 T CA 1.393 63.355 62.100 -0.231 0.000 1.162 530 T CB -0.505 68.114 68.868 -0.415 0.000 0.863 530 T HN 0.268 nan 8.240 nan 0.000 0.424 531 Y N 1.176 121.526 120.300 0.083 0.000 2.373 531 Y HA 0.003 4.554 4.550 0.001 0.000 0.293 531 Y C 2.930 178.851 175.900 0.034 0.000 1.129 531 Y CA 0.537 58.680 58.100 0.071 0.000 1.226 531 Y CB -0.971 37.589 38.460 0.165 0.000 1.000 531 Y HN 0.167 nan 8.280 nan 0.000 0.549 532 T N -0.373 114.261 114.554 0.133 0.000 2.821 532 T HA -0.196 4.154 4.350 0.001 0.000 0.267 532 T C 1.818 176.556 174.700 0.063 0.000 1.046 532 T CA 1.534 63.684 62.100 0.085 0.000 1.139 532 T CB -0.117 68.795 68.868 0.072 0.000 0.871 532 T HN 0.468 nan 8.240 nan 0.000 0.454 533 E N 0.650 120.870 120.200 0.034 0.000 2.072 533 E HA -0.119 4.232 4.350 0.001 0.000 0.191 533 E C 2.257 178.876 176.600 0.032 0.000 0.985 533 E CA 0.868 57.283 56.400 0.025 0.000 0.801 533 E CB -0.201 29.493 29.700 -0.009 0.000 0.750 533 E HN 0.437 nan 8.360 nan 0.000 0.452 534 M N 0.380 119.987 119.600 0.011 0.000 2.108 534 M HA -0.173 4.308 4.480 0.001 0.000 0.261 534 M C 2.237 178.569 176.300 0.054 0.000 1.066 534 M CA 1.877 57.192 55.300 0.026 0.000 1.107 534 M CB -0.123 32.495 32.600 0.029 0.000 1.356 534 M HN 0.232 nan 8.290 nan 0.000 0.406 535 A N 0.177 123.032 122.820 0.058 0.000 1.933 535 A HA -0.052 4.269 4.320 0.001 0.000 0.218 535 A C 2.292 180.049 177.584 0.288 0.000 1.175 535 A CA 1.822 53.919 52.037 0.100 0.000 0.628 535 A CB -1.125 17.820 19.000 -0.092 0.000 0.814 535 A HN 0.662 nan 8.150 nan 0.000 0.444 536 A N 0.494 123.429 122.820 0.191 0.000 1.908 536 A HA -0.219 4.101 4.320 0.001 0.000 0.218 536 A C 1.912 179.586 177.584 0.149 0.000 1.181 536 A CA 1.832 53.977 52.037 0.179 0.000 0.627 536 A CB -0.627 18.441 19.000 0.113 0.000 0.818 536 A HN 0.566 nan 8.150 nan 0.000 0.445 537 N N 0.089 118.861 118.700 0.120 0.000 2.188 537 N HA -0.097 4.643 4.740 0.001 0.000 0.184 537 N C 1.703 177.287 175.510 0.123 0.000 1.018 537 N CA 1.514 54.625 53.050 0.102 0.000 0.858 537 N CB -0.526 38.008 38.487 0.078 0.000 0.989 537 N HN 0.286 nan 8.380 nan 0.000 0.426 538 V N 1.454 121.463 119.914 0.159 0.000 2.358 538 V HA -0.173 3.947 4.120 0.001 0.000 0.246 538 V C 2.570 178.744 176.094 0.133 0.000 1.047 538 V CA 1.432 63.836 62.300 0.173 0.000 1.035 538 V CB -0.438 31.531 31.823 0.243 0.000 0.658 538 V HN 0.266 nan 8.190 nan 0.000 0.452 539 R N 0.057 120.629 120.500 0.120 0.000 2.073 539 R HA -0.228 4.112 4.340 0.001 0.000 0.234 539 R C 2.405 178.721 176.300 0.027 0.000 1.134 539 R CA 2.139 58.209 56.100 -0.049 0.000 0.952 539 R CB -0.264 29.981 30.300 -0.092 0.000 0.850 539 R HN 0.665 nan 8.270 nan 0.000 0.433 540 E N -0.334 119.904 120.200 0.065 0.000 2.077 540 E HA -0.192 4.158 4.350 0.001 0.000 0.193 540 E C 1.754 178.406 176.600 0.086 0.000 0.989 540 E CA 1.232 57.669 56.400 0.061 0.000 0.800 540 E CB -0.101 29.636 29.700 0.061 0.000 0.746 540 E HN 0.481 nan 8.360 nan 0.000 0.452 541 A N 0.282 123.177 122.820 0.124 0.000 1.902 541 A HA -0.184 4.137 4.320 0.001 0.000 0.217 541 A C 2.452 180.169 177.584 0.222 0.000 1.181 541 A CA 1.401 53.561 52.037 0.205 0.000 0.623 541 A CB -0.833 18.267 19.000 0.167 0.000 0.818 541 A HN 0.520 nan 8.150 nan 0.000 0.443 542 C N -0.700 118.693 119.300 0.155 0.000 2.453 542 C HA -0.030 4.431 4.460 0.001 0.000 0.277 542 C C 2.636 177.802 174.990 0.294 0.000 1.262 542 C CA 0.973 60.106 59.018 0.191 0.000 1.718 542 C CB -0.980 26.865 27.740 0.176 0.000 2.031 542 C HN 0.584 nan 8.230 nan 0.000 0.480 543 E N 0.476 120.804 120.200 0.214 0.000 2.204 543 E HA -0.123 4.228 4.350 0.001 0.000 0.194 543 E C 2.144 178.814 176.600 0.116 0.000 0.989 543 E CA 1.293 57.809 56.400 0.193 0.000 0.824 543 E CB -0.476 29.265 29.700 0.069 0.000 0.756 543 E HN 0.614 nan 8.360 nan 0.000 0.477 544 T N -0.051 114.527 114.554 0.039 0.000 2.937 544 T HA -0.029 4.321 4.350 0.001 0.000 0.260 544 T C 1.450 176.012 174.700 -0.230 0.000 1.051 544 T CA 0.762 62.777 62.100 -0.141 0.000 1.141 544 T CB 0.024 68.715 68.868 -0.296 0.000 0.879 544 T HN 0.259 nan 8.240 nan 0.000 0.459 545 H N -0.141 119.007 119.070 0.130 0.000 2.729 545 H HA 0.349 4.906 4.556 0.001 0.000 0.263 545 H C 1.742 177.164 175.328 0.157 0.000 0.961 545 H CA 0.408 56.527 56.048 0.118 0.000 1.217 545 H CB 0.415 30.224 29.762 0.079 0.000 1.447 545 H HN 0.268 nan 8.280 nan 0.000 0.496 546 L N -0.329 121.104 121.223 0.349 0.000 2.567 546 L HA 0.090 4.431 4.340 0.001 0.000 0.225 546 L C 0.780 177.916 176.870 0.443 0.000 1.119 546 L CA -0.054 55.026 54.840 0.400 0.000 0.871 546 L CB 0.349 42.688 42.059 0.466 0.000 1.036 546 L HN 0.222 nan 8.230 nan 0.000 0.459 547 W N 2.690 124.052 121.300 0.103 0.000 2.316 547 W HA 0.135 4.795 4.660 0.001 0.000 0.311 547 W C -0.758 175.677 176.519 -0.140 0.000 1.217 547 W CA -0.142 57.102 57.345 -0.169 0.000 1.199 547 W CB 1.135 30.438 29.460 -0.261 0.000 1.202 547 W HN -0.080 nan 8.180 nan 0.000 0.528 548 D N 5.197 125.028 120.400 -0.948 0.000 2.454 548 D HA -0.026 4.615 4.640 0.001 0.000 0.225 548 D C 0.697 176.277 176.300 -1.200 0.000 1.081 548 D CA -0.146 53.350 54.000 -0.840 0.000 0.864 548 D CB 0.891 41.192 40.800 -0.833 0.000 1.040 548 D HN 0.462 nan 8.370 nan 0.000 0.517 549 D N 2.352 122.378 120.400 -0.624 0.000 2.363 549 D HA -0.087 4.554 4.640 0.001 0.000 0.226 549 D C 0.863 176.984 176.300 -0.300 0.000 1.020 549 D CA 0.495 54.313 54.000 -0.303 0.000 0.892 549 D CB 0.230 41.079 40.800 0.081 0.000 0.900 549 D HN 0.493 nan 8.370 nan 0.000 0.531 550 E N -0.021 119.927 120.200 -0.421 0.000 2.127 550 E HA 0.091 4.442 4.350 0.001 0.000 0.191 550 E C 2.053 178.366 176.600 -0.477 0.000 0.964 550 E CA 0.744 56.942 56.400 -0.337 0.000 0.832 550 E CB 0.025 29.563 29.700 -0.270 0.000 0.790 550 E HN 0.428 nan 8.360 nan 0.000 0.465 551 G N 0.124 108.381 108.800 -0.904 0.000 2.539 551 G HA2 0.140 4.100 3.960 0.001 0.000 0.215 551 G HA3 0.140 4.100 3.960 0.001 0.000 0.215 551 G C 0.948 175.230 174.900 -1.029 0.000 1.141 551 G CA 0.347 44.639 45.100 -1.347 0.000 0.806 551 G HN 0.383 nan 8.290 nan 0.000 0.533 552 G N -0.940 107.214 108.800 -1.077 0.000 2.414 552 G HA2 0.061 4.022 3.960 0.001 0.000 0.256 552 G HA3 0.061 4.022 3.960 0.001 0.000 0.256 552 G C -0.194 174.311 174.900 -0.659 0.000 1.128 552 G CA 0.241 44.942 45.100 -0.665 0.000 0.944 552 G HN 1.461 nan 8.290 nan 0.000 0.500 553 W N -1.965 118.580 121.300 -1.258 0.000 2.926 553 W HA 0.735 5.395 4.660 0.001 0.000 0.361 553 W C -1.300 174.793 176.519 -0.710 0.000 1.195 553 W CA -2.981 53.945 57.345 -0.698 0.000 1.177 553 W CB 0.560 29.915 29.460 -0.175 0.000 1.453 553 W HN 0.161 nan 8.180 nan 0.000 0.571 554 Y N 3.404 123.958 120.300 0.424 0.000 2.323 554 Y HA 0.440 4.991 4.550 0.001 0.000 0.331 554 Y C 1.466 177.649 175.900 0.473 0.000 1.092 554 Y CA -1.040 57.332 58.100 0.452 0.000 1.150 554 Y CB 0.983 39.768 38.460 0.542 0.000 1.200 554 Y HN 0.446 nan 8.280 nan 0.000 0.472 555 I N 0.051 120.921 120.570 0.500 0.000 3.004 555 I HA 0.325 4.495 4.170 0.001 0.000 0.287 555 I C 1.277 177.549 176.117 0.259 0.000 1.144 555 I CA -0.730 60.790 61.300 0.367 0.000 1.353 555 I CB 0.907 39.053 38.000 0.243 0.000 1.417 555 I HN 0.518 nan 8.210 nan 0.000 0.602 556 R N 2.167 122.707 120.500 0.067 0.000 2.119 556 R HA 0.314 4.654 4.340 0.001 0.000 0.222 556 R C 0.479 176.762 176.300 -0.027 0.000 1.088 556 R CA 1.078 57.121 56.100 -0.095 0.000 0.984 556 R CB -0.337 29.591 30.300 -0.620 0.000 0.884 556 R HN 1.095 nan 8.270 nan 0.000 0.447 557 G N -2.005 106.795 108.800 0.000 0.000 2.367 557 G HA2 0.298 4.258 3.960 0.001 0.000 0.272 557 G HA3 0.298 4.258 3.960 0.001 0.000 0.272 557 G C -2.077 172.832 174.900 0.015 0.000 1.271 557 G CA -0.706 44.395 45.100 0.002 0.000 0.893 557 G HN 0.034 nan 8.290 nan 0.000 0.485 558 L N 0.796 122.020 121.223 0.002 0.000 2.422 558 L HA 0.669 5.009 4.340 0.001 0.000 0.264 558 L C 1.001 177.867 176.870 -0.007 0.000 0.984 558 L CA -0.474 54.369 54.840 0.005 0.000 0.819 558 L CB 2.033 44.091 42.059 -0.001 0.000 1.330 558 L HN 1.032 nan 8.230 nan 0.000 0.410 559 T N -2.119 112.433 114.554 -0.004 0.000 2.726 559 T HA 0.177 4.527 4.350 0.001 0.000 0.294 559 T C 1.064 175.756 174.700 -0.014 0.000 1.013 559 T CA -0.069 62.024 62.100 -0.011 0.000 0.996 559 T CB 0.482 69.344 68.868 -0.008 0.000 1.016 559 T HN 0.784 nan 8.240 nan 0.000 0.529 560 K N 0.679 121.069 120.400 -0.017 0.000 2.280 560 K HA -0.085 4.236 4.320 0.001 0.000 0.202 560 K C 1.184 177.773 176.600 -0.017 0.000 1.047 560 K CA 1.115 57.391 56.287 -0.018 0.000 0.942 560 K CB -0.296 32.193 32.500 -0.018 0.000 0.739 560 K HN 0.400 nan 8.250 nan 0.000 0.457 561 N N 0.598 119.290 118.700 -0.013 0.000 2.322 561 N HA 0.042 4.782 4.740 0.001 0.000 0.194 561 N C 0.635 176.140 175.510 -0.008 0.000 1.126 561 N CA 0.893 53.937 53.050 -0.010 0.000 0.845 561 N CB 1.064 39.547 38.487 -0.007 0.000 0.976 561 N HN 0.577 nan 8.380 nan 0.000 0.475 562 G N 1.165 109.959 108.800 -0.010 0.000 2.157 562 G HA2 -0.265 3.695 3.960 0.001 0.000 0.248 562 G HA3 -0.265 3.695 3.960 0.001 0.000 0.248 562 G C -0.232 174.672 174.900 0.007 0.000 0.979 562 G CA 0.149 45.244 45.100 -0.007 0.000 0.650 562 G HN 0.440 nan 8.290 nan 0.000 0.529 563 D N 0.903 121.309 120.400 0.011 0.000 2.312 563 D HA 0.459 5.100 4.640 0.001 0.000 0.252 563 D C 0.805 177.125 176.300 0.034 0.000 1.150 563 D CA -0.254 53.760 54.000 0.024 0.000 0.870 563 D CB 0.420 41.234 40.800 0.024 0.000 1.153 563 D HN 0.272 nan 8.370 nan 0.000 0.457 564 K N 3.180 123.609 120.400 0.047 0.000 2.382 564 K HA 0.257 4.578 4.320 0.001 0.000 0.275 564 K C -0.165 176.484 176.600 0.082 0.000 1.009 564 K CA -0.004 56.322 56.287 0.064 0.000 0.970 564 K CB 0.867 33.412 32.500 0.075 0.000 0.934 564 K HN 0.485 nan 8.250 nan 0.000 0.479 565 I N 1.091 121.712 120.570 0.085 0.000 2.389 565 I HA 0.266 4.437 4.170 0.001 0.000 0.288 565 I C 0.542 176.745 176.117 0.144 0.000 0.999 565 I CA -0.293 61.072 61.300 0.110 0.000 1.129 565 I CB 1.749 39.779 38.000 0.050 0.000 1.288 565 I HN 0.875 nan 8.210 nan 0.000 0.444 566 G N 3.424 112.378 108.800 0.257 0.000 2.580 566 G HA2 -0.150 3.810 3.960 0.001 0.000 0.204 566 G HA3 -0.150 3.810 3.960 0.001 0.000 0.204 566 G C -0.144 175.024 174.900 0.446 0.000 1.107 566 G CA -0.133 45.191 45.100 0.374 0.000 0.881 566 G HN 0.786 nan 8.290 nan 0.000 0.497 567 T N -2.875 111.882 114.554 0.339 0.000 2.950 567 T HA 0.814 5.164 4.350 0.001 0.000 0.288 567 T C 1.564 176.467 174.700 0.339 0.000 1.035 567 T CA 0.254 62.527 62.100 0.288 0.000 1.028 567 T CB 2.007 70.943 68.868 0.113 0.000 1.109 567 T HN 1.458 nan 8.240 nan 0.000 0.514 568 A N 0.272 123.177 122.820 0.142 0.000 2.121 568 A HA -0.009 4.312 4.320 0.001 0.000 0.218 568 A C 2.175 179.800 177.584 0.068 0.000 1.154 568 A CA 0.775 52.877 52.037 0.107 0.000 0.679 568 A CB -0.651 18.184 19.000 -0.275 0.000 0.795 568 A HN 0.740 nan 8.150 nan 0.000 0.458 569 Q N -0.084 119.740 119.800 0.039 0.000 2.402 569 Q HA 0.068 4.408 4.340 0.001 0.000 0.206 569 Q C 0.351 176.374 176.000 0.038 0.000 0.919 569 Q CA 0.353 56.170 55.803 0.024 0.000 0.923 569 Q CB 0.079 28.820 28.738 0.006 0.000 1.048 569 Q HN 0.785 nan 8.270 nan 0.000 0.515 570 Q N 0.269 120.108 119.800 0.064 0.000 2.368 570 Q HA 0.086 4.427 4.340 0.001 0.000 0.237 570 Q C 0.911 176.925 176.000 0.023 0.000 0.987 570 Q CA 0.069 55.905 55.803 0.056 0.000 0.896 570 Q CB 0.626 29.418 28.738 0.090 0.000 1.241 570 Q HN 0.161 nan 8.270 nan 0.000 0.485 571 Q N 0.355 120.162 119.800 0.012 0.000 2.302 571 Q HA -0.013 4.327 4.340 0.001 0.000 0.202 571 Q C -0.368 175.595 176.000 -0.061 0.000 0.936 571 Q CA 0.822 56.614 55.803 -0.019 0.000 0.886 571 Q CB 0.543 29.278 28.738 -0.005 0.000 0.986 571 Q HN 0.529 nan 8.270 nan 0.000 0.487 572 E N -0.672 119.491 120.200 -0.062 0.000 2.317 572 E HA 0.445 4.795 4.350 0.001 0.000 0.270 572 E C -0.514 175.884 176.600 -0.336 0.000 0.885 572 E CA -0.614 55.669 56.400 -0.196 0.000 0.760 572 E CB 1.809 31.454 29.700 -0.091 0.000 1.227 572 E HN 0.175 nan 8.360 nan 0.000 0.434 573 G N 2.084 110.445 108.800 -0.732 0.000 2.372 573 G HA2 -0.334 3.626 3.960 0.001 0.000 0.297 573 G HA3 -0.334 3.626 3.960 0.001 0.000 0.297 573 G C 0.548 175.306 174.900 -0.237 0.000 1.005 573 G CA 0.666 45.292 45.100 -0.789 0.000 1.173 573 G HN 0.531 nan 8.290 nan 0.000 0.511 574 R N -1.214 119.092 120.500 -0.322 0.000 2.057 574 R HA 0.145 4.485 4.340 0.001 0.000 0.224 574 R C 1.038 177.061 176.300 -0.462 0.000 1.136 574 R CA 1.217 57.205 56.100 -0.187 0.000 0.968 574 R CB 0.239 30.435 30.300 -0.174 0.000 0.863 574 R HN 0.360 nan 8.270 nan 0.000 0.433 575 V N 2.543 121.991 119.914 -0.778 0.000 2.398 575 V HA 0.213 4.334 4.120 0.001 0.000 0.286 575 V C -0.385 175.318 176.094 -0.652 0.000 1.026 575 V CA -0.563 61.202 62.300 -0.892 0.000 0.868 575 V CB 1.411 32.729 31.823 -0.841 0.000 0.982 575 V HN 0.270 nan 8.190 nan 0.000 0.443 576 H N 4.368 123.296 119.070 -0.236 0.000 2.489 576 H HA 0.301 4.858 4.556 0.001 0.000 0.343 576 H C 0.458 175.779 175.328 -0.012 0.000 1.086 576 H CA -0.693 55.320 56.048 -0.057 0.000 1.198 576 H CB 2.801 32.589 29.762 0.043 0.000 1.490 576 H HN 0.524 nan 8.280 nan 0.000 0.504 577 L N 3.207 124.472 121.223 0.070 0.000 2.027 577 L HA -0.122 4.219 4.340 0.001 0.000 0.206 577 L C 1.736 178.647 176.870 0.069 0.000 1.074 577 L CA 1.806 56.661 54.840 0.024 0.000 0.745 577 L CB -0.243 41.786 42.059 -0.050 0.000 0.898 577 L HN 0.610 nan 8.230 nan 0.000 0.433 578 E N -0.413 119.850 120.200 0.105 0.000 2.058 578 E HA -0.211 4.140 4.350 0.001 0.000 0.194 578 E C 2.262 179.009 176.600 0.245 0.000 0.997 578 E CA 1.756 58.270 56.400 0.190 0.000 0.801 578 E CB -0.579 29.248 29.700 0.211 0.000 0.746 578 E HN 0.678 nan 8.360 nan 0.000 0.450 579 S N 1.051 116.919 115.700 0.280 0.000 2.348 579 S HA -0.182 4.289 4.470 0.001 0.000 0.221 579 S C 1.841 176.599 174.600 0.264 0.000 1.033 579 S CA 1.218 59.655 58.200 0.395 0.000 1.010 579 S CB -0.481 62.974 63.200 0.425 0.000 0.891 579 S HN 0.146 nan 8.310 nan 0.000 0.442 580 N N 1.822 120.665 118.700 0.239 0.000 2.166 580 N HA -0.085 4.656 4.740 0.001 0.000 0.186 580 N C 2.151 177.686 175.510 0.043 0.000 1.019 580 N CA 2.026 55.196 53.050 0.200 0.000 0.856 580 N CB -0.788 37.843 38.487 0.241 0.000 0.993 580 N HN 0.849 nan 8.380 nan 0.000 0.426 581 T N -0.529 114.044 114.554 0.032 0.000 2.812 581 T HA 0.056 4.406 4.350 0.001 0.000 0.264 581 T C 2.182 176.788 174.700 -0.157 0.000 1.042 581 T CA 0.469 62.557 62.100 -0.019 0.000 1.140 581 T CB -0.509 68.385 68.868 0.043 0.000 0.870 581 T HN 0.060 nan 8.240 nan 0.000 0.445 582 L N 0.928 122.044 121.223 -0.178 0.000 2.201 582 L HA 0.122 4.463 4.340 0.001 0.000 0.212 582 L C 3.289 179.814 176.870 -0.576 0.000 1.105 582 L CA 0.873 55.505 54.840 -0.345 0.000 0.775 582 L CB -0.746 41.202 42.059 -0.185 0.000 0.913 582 L HN 0.393 nan 8.230 nan 0.000 0.440 583 A N -0.236 122.005 122.820 -0.964 0.000 1.933 583 A HA -0.135 4.185 4.320 0.001 0.000 0.218 583 A C 2.265 179.410 177.584 -0.732 0.000 1.175 583 A CA 1.801 52.883 52.037 -1.593 0.000 0.628 583 A CB -0.517 17.399 19.000 -1.806 0.000 0.814 583 A HN 0.224 nan 8.150 nan 0.000 0.444 584 V N -0.595 119.063 119.914 -0.427 0.000 2.426 584 V HA -0.105 4.016 4.120 0.001 0.000 0.242 584 V C 2.399 178.351 176.094 -0.238 0.000 1.036 584 V CA 1.332 63.489 62.300 -0.239 0.000 1.044 584 V CB -0.740 31.011 31.823 -0.120 0.000 0.688 584 V HN 0.616 nan 8.190 nan 0.000 0.462 585 L N 1.120 122.153 121.223 -0.316 0.000 2.043 585 L HA -0.213 4.127 4.340 0.001 0.000 0.212 585 L C 2.624 179.232 176.870 -0.438 0.000 1.075 585 L CA 2.308 56.895 54.840 -0.423 0.000 0.752 585 L CB -0.320 41.379 42.059 -0.600 0.000 0.891 585 L HN 0.565 nan 8.230 nan 0.000 0.432 586 S N -0.883 114.612 115.700 -0.342 0.000 2.474 586 S HA 0.020 4.491 4.470 0.001 0.000 0.235 586 S C 1.589 176.331 174.600 0.237 0.000 0.997 586 S CA 0.644 58.824 58.200 -0.034 0.000 0.949 586 S CB -0.280 63.019 63.200 0.165 0.000 0.766 586 S HN 0.806 nan 8.310 nan 0.000 0.517 587 G N 0.835 109.675 108.800 0.066 0.000 2.157 587 G HA2 -0.268 3.693 3.960 0.001 0.000 0.248 587 G HA3 -0.268 3.693 3.960 0.001 0.000 0.248 587 G C 0.438 175.405 174.900 0.112 0.000 0.979 587 G CA 0.403 45.594 45.100 0.152 0.000 0.650 587 G HN 0.572 nan 8.290 nan 0.000 0.529 588 L N 0.532 121.659 121.223 -0.160 0.000 2.023 588 L HA 0.581 4.921 4.340 0.001 0.000 0.205 588 L C 2.114 178.772 176.870 -0.353 0.000 1.073 588 L CA 1.529 55.989 54.840 -0.633 0.000 0.745 588 L CB -0.363 41.212 42.059 -0.807 0.000 0.900 588 L HN 0.579 nan 8.230 nan 0.000 0.435 589 A N 0.082 122.717 122.820 -0.309 0.000 2.462 589 A HA 0.318 4.638 4.320 0.001 0.000 0.243 589 A C 0.586 178.118 177.584 -0.087 0.000 1.076 589 A CA 0.236 52.181 52.037 -0.155 0.000 0.773 589 A CB 0.005 18.931 19.000 -0.123 0.000 1.010 589 A HN 0.538 nan 8.150 nan 0.000 0.493 590 S N 1.116 116.772 115.700 -0.073 0.000 2.596 590 S HA 0.128 4.598 4.470 0.001 0.000 0.260 590 S C 0.980 175.547 174.600 -0.055 0.000 1.336 590 S CA 0.475 58.633 58.200 -0.070 0.000 0.993 590 S CB 0.641 63.779 63.200 -0.104 0.000 0.923 590 S HN 0.831 nan 8.310 nan 0.000 0.567 591 Q N 0.679 120.455 119.800 -0.040 0.000 2.084 591 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 591 Q C 1.668 177.651 176.000 -0.027 0.000 0.978 591 Q CA 2.217 58.006 55.803 -0.022 0.000 0.844 591 Q CB -0.531 28.198 28.738 -0.015 0.000 0.898 591 Q HN 0.857 nan 8.270 nan 0.000 0.426 592 E N -0.062 120.104 120.200 -0.057 0.000 2.017 592 E HA -0.133 4.217 4.350 0.001 0.000 0.193 592 E C 2.104 178.650 176.600 -0.090 0.000 0.997 592 E CA 1.537 57.896 56.400 -0.068 0.000 0.804 592 E CB -0.167 29.473 29.700 -0.100 0.000 0.757 592 E HN 0.306 nan 8.360 nan 0.000 0.448 593 R N -0.063 120.308 120.500 -0.216 0.000 2.115 593 R HA -0.028 4.312 4.340 0.001 0.000 0.230 593 R C 2.414 178.743 176.300 0.049 0.000 1.111 593 R CA 1.055 56.936 56.100 -0.364 0.000 0.976 593 R CB -0.509 29.308 30.300 -0.805 0.000 0.870 593 R HN 0.280 nan 8.270 nan 0.000 0.445 594 G N 1.258 110.095 108.800 0.061 0.000 2.459 594 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 594 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 594 G C 1.123 176.105 174.900 0.138 0.000 1.183 594 G CA 0.655 45.825 45.100 0.118 0.000 0.776 594 G HN 0.327 nan 8.290 nan 0.000 0.552 595 E N -0.190 120.066 120.200 0.093 0.000 2.077 595 E HA -0.194 4.156 4.350 0.001 0.000 0.193 595 E C 2.471 179.158 176.600 0.145 0.000 0.989 595 E CA 1.174 57.631 56.400 0.096 0.000 0.800 595 E CB -0.154 29.580 29.700 0.056 0.000 0.746 595 E HN 0.612 nan 8.360 nan 0.000 0.452 596 Q N 0.485 120.397 119.800 0.187 0.000 2.079 596 Q HA -0.154 4.187 4.340 0.001 0.000 0.200 596 Q C 2.126 178.321 176.000 0.326 0.000 0.974 596 Q CA 1.406 57.361 55.803 0.254 0.000 0.840 596 Q CB -0.097 28.837 28.738 0.327 0.000 0.898 596 Q HN 0.232 nan 8.270 nan 0.000 0.430 597 A N 0.527 123.600 122.820 0.422 0.000 1.877 597 A HA -0.176 4.144 4.320 0.001 0.000 0.216 597 A C 2.009 179.775 177.584 0.303 0.000 1.186 597 A CA 1.531 53.832 52.037 0.440 0.000 0.620 597 A CB -0.454 18.898 19.000 0.586 0.000 0.822 597 A HN 0.416 nan 8.150 nan 0.000 0.443 598 M N -0.082 119.665 119.600 0.245 0.000 2.296 598 M HA -0.079 4.402 4.480 0.001 0.000 0.265 598 M C 1.083 177.497 176.300 0.191 0.000 1.064 598 M CA 1.070 56.492 55.300 0.204 0.000 1.109 598 M CB -1.335 31.377 32.600 0.187 0.000 1.396 598 M HN 0.321 nan 8.290 nan 0.000 0.430 599 D N 0.448 120.949 120.400 0.168 0.000 2.183 599 D HA 0.014 4.655 4.640 0.001 0.000 0.203 599 D C 1.986 178.341 176.300 0.093 0.000 0.969 599 D CA 1.255 55.326 54.000 0.118 0.000 0.842 599 D CB 0.031 40.892 40.800 0.101 0.000 0.957 599 D HN 0.291 nan 8.370 nan 0.000 0.484 600 A N 0.380 123.297 122.820 0.162 0.000 1.930 600 A HA -0.101 4.219 4.320 0.001 0.000 0.217 600 A C 2.461 180.087 177.584 0.071 0.000 1.175 600 A CA 0.900 53.041 52.037 0.174 0.000 0.627 600 A CB -0.597 18.647 19.000 0.407 0.000 0.815 600 A HN 0.130 nan 8.150 nan 0.000 0.443 601 V N 0.483 120.455 119.914 0.096 0.000 2.295 601 V HA -0.258 3.862 4.120 0.001 0.000 0.246 601 V C 2.352 178.500 176.094 0.089 0.000 1.049 601 V CA 2.538 64.875 62.300 0.061 0.000 1.024 601 V CB -0.718 31.142 31.823 0.062 0.000 0.648 601 V HN 0.748 nan 8.190 nan 0.000 0.447 602 D N -0.063 120.432 120.400 0.159 0.000 2.084 602 D HA -0.242 4.398 4.640 0.001 0.000 0.194 602 D C 2.228 178.607 176.300 0.132 0.000 0.990 602 D CA 1.791 55.932 54.000 0.235 0.000 0.826 602 D CB -0.165 40.767 40.800 0.219 0.000 0.971 602 D HN 0.540 nan 8.370 nan 0.000 0.453 603 E N -1.441 118.731 120.200 -0.046 0.000 2.077 603 E HA -0.225 4.126 4.350 0.001 0.000 0.193 603 E C 1.419 177.879 176.600 -0.234 0.000 0.989 603 E CA 1.089 57.367 56.400 -0.203 0.000 0.800 603 E CB 0.006 29.443 29.700 -0.437 0.000 0.746 603 E HN 0.517 nan 8.360 nan 0.000 0.452 604 H N -1.130 117.967 119.070 0.045 0.000 2.648 604 H HA 0.175 4.732 4.556 0.001 0.000 0.265 604 H C 1.606 176.905 175.328 -0.049 0.000 0.961 604 H CA 0.365 56.393 56.048 -0.034 0.000 1.185 604 H CB 0.675 30.362 29.762 -0.125 0.000 1.449 604 H HN 0.222 nan 8.280 nan 0.000 0.523 605 L N -0.713 120.578 121.223 0.114 0.000 2.749 605 L HA 0.161 4.502 4.340 0.001 0.000 0.242 605 L C 0.396 177.428 176.870 0.269 0.000 1.103 605 L CA -0.176 54.744 54.840 0.133 0.000 0.906 605 L CB 0.415 42.514 42.059 0.068 0.000 1.228 605 L HN -0.053 nan 8.230 nan 0.000 0.517 606 F N 2.248 122.267 119.950 0.116 0.000 2.471 606 F HA 0.332 4.860 4.527 0.001 0.000 0.353 606 F C 0.646 176.575 175.800 0.214 0.000 1.113 606 F CA -0.440 57.653 58.000 0.154 0.000 1.262 606 F CB 0.833 39.954 39.000 0.203 0.000 1.146 606 F HN -0.014 nan 8.300 nan 0.000 0.578 607 S N 4.503 119.688 115.700 -0.858 0.000 2.607 607 S HA 0.511 4.982 4.470 0.001 0.000 0.273 607 S C -2.589 171.435 174.600 -0.959 0.000 1.148 607 S CA -1.260 56.618 58.200 -0.536 0.000 0.833 607 S CB 1.866 65.132 63.200 0.110 0.000 1.130 607 S HN 0.316 nan 8.310 nan 0.000 0.470 608 P HA 0.028 nan 4.420 nan 0.000 0.226 608 P C 0.071 177.061 177.300 -0.516 0.000 1.146 608 P CA 1.056 63.863 63.100 -0.488 0.000 0.773 608 P CB -0.225 31.202 31.700 -0.455 0.000 0.772 609 Y N -1.599 118.560 120.300 -0.235 0.000 2.449 609 Y HA 0.435 4.986 4.550 0.001 0.000 0.254 609 Y C 1.613 177.421 175.900 -0.154 0.000 1.140 609 Y CA 0.593 58.581 58.100 -0.185 0.000 1.272 609 Y CB 0.250 38.571 38.460 -0.232 0.000 1.114 609 Y HN -0.082 nan 8.280 nan 0.000 0.525 610 G N -0.333 108.412 108.800 -0.093 0.000 2.347 610 G HA2 0.016 3.977 3.960 0.001 0.000 0.341 610 G HA3 0.016 3.977 3.960 0.001 0.000 0.341 610 G C -1.760 173.075 174.900 -0.107 0.000 1.287 610 G CA -1.267 43.818 45.100 -0.025 0.000 0.984 610 G HN -0.038 nan 8.290 nan 0.000 0.526 611 L N 1.146 122.335 121.223 -0.056 0.000 2.276 611 L HA 0.457 4.798 4.340 0.001 0.000 0.286 611 L C 0.660 177.489 176.870 -0.068 0.000 1.061 611 L CA -0.883 53.923 54.840 -0.056 0.000 0.807 611 L CB 0.945 42.910 42.059 -0.156 0.000 1.177 611 L HN 0.572 nan 8.230 nan 0.000 0.429 612 H N 1.701 120.764 119.070 -0.011 0.000 2.771 612 H HA -0.021 4.535 4.556 0.001 0.000 0.364 612 H C 0.618 175.940 175.328 -0.010 0.000 1.133 612 H CA -0.140 55.913 56.048 0.008 0.000 1.423 612 H CB 0.967 30.719 29.762 -0.017 0.000 1.425 612 H HN 0.460 nan 8.280 nan 0.000 0.606 613 L N 1.375 122.683 121.223 0.141 0.000 2.217 613 L HA 0.008 4.349 4.340 0.001 0.000 0.211 613 L C -0.177 176.711 176.870 0.030 0.000 1.107 613 L CA 1.223 56.121 54.840 0.097 0.000 0.783 613 L CB -0.406 41.751 42.059 0.163 0.000 0.919 613 L HN 0.932 nan 8.230 nan 0.000 0.442 614 N N -1.793 116.889 118.700 -0.030 0.000 3.046 614 N HA 0.673 5.414 4.740 0.001 0.000 0.243 614 N C -1.359 173.977 175.510 -0.291 0.000 1.452 614 N CA -0.181 52.708 53.050 -0.269 0.000 0.882 614 N CB 1.140 39.408 38.487 -0.364 0.000 1.425 614 N HN 0.057 nan 8.380 nan 0.000 0.517 615 A N -0.669 121.881 122.820 -0.450 0.000 2.582 615 A HA 0.727 5.048 4.320 0.001 0.000 0.297 615 A C -3.244 174.075 177.584 -0.441 0.000 1.059 615 A CA -0.983 50.819 52.037 -0.391 0.000 0.705 615 A CB 0.967 19.785 19.000 -0.304 0.000 1.279 615 A HN 0.541 nan 8.150 nan 0.000 0.404 616 P HA 0.381 nan 4.420 nan 0.000 0.275 616 P C 0.103 177.165 177.300 -0.396 0.000 1.266 616 P CA -0.119 62.792 63.100 -0.315 0.000 0.793 616 P CB 0.651 32.210 31.700 -0.235 0.000 1.074 617 S N -0.246 115.289 115.700 -0.277 0.000 2.593 617 S HA 0.262 4.732 4.470 0.001 0.000 0.269 617 S C -0.028 174.413 174.600 -0.265 0.000 1.334 617 S CA -0.096 57.961 58.200 -0.239 0.000 1.015 617 S CB -0.349 62.812 63.200 -0.065 0.000 0.912 617 S HN 0.169 nan 8.310 nan 0.000 0.541 618 F N 1.342 121.281 119.950 -0.018 0.000 2.389 618 F HA 0.292 4.819 4.527 0.001 0.000 0.337 618 F C 1.630 177.417 175.800 -0.022 0.000 1.112 618 F CA -0.123 57.867 58.000 -0.017 0.000 1.192 618 F CB 1.020 40.010 39.000 -0.016 0.000 1.185 618 F HN 0.670 nan 8.300 nan 0.000 0.552 619 S N -1.563 114.237 115.700 0.166 0.000 2.684 619 S HA 0.170 4.640 4.470 0.001 0.000 0.268 619 S C 0.149 174.783 174.600 0.057 0.000 1.075 619 S CA -0.217 58.033 58.200 0.082 0.000 1.184 619 S CB 0.034 63.262 63.200 0.046 0.000 1.129 619 S HN 0.451 nan 8.310 nan 0.000 0.630 620 T N 5.769 120.370 114.554 0.079 0.000 2.788 620 T HA 0.512 4.862 4.350 0.001 0.000 0.296 620 T C -2.975 171.726 174.700 0.001 0.000 1.009 620 T CA -1.415 60.707 62.100 0.036 0.000 0.949 620 T CB 1.581 70.477 68.868 0.047 0.000 0.946 620 T HN 0.177 nan 8.240 nan 0.000 0.453 621 P HA 0.128 nan 4.420 nan 0.000 0.265 621 P C -0.536 176.721 177.300 -0.071 0.000 1.193 621 P CA -0.115 62.932 63.100 -0.088 0.000 0.765 621 P CB 0.484 32.128 31.700 -0.094 0.000 0.823 622 N N 2.382 121.020 118.700 -0.104 0.000 2.699 622 N HA 0.047 4.788 4.740 0.001 0.000 0.271 622 N C -0.086 175.366 175.510 -0.097 0.000 1.216 622 N CA -0.225 52.776 53.050 -0.081 0.000 0.844 622 N CB 0.583 39.028 38.487 -0.070 0.000 1.462 622 N HN 0.098 nan 8.380 nan 0.000 0.555 623 D N 1.413 121.776 120.400 -0.062 0.000 2.378 623 D HA -0.049 4.591 4.640 0.001 0.000 0.227 623 D C 0.141 176.414 176.300 -0.045 0.000 1.012 623 D CA 0.650 54.622 54.000 -0.046 0.000 0.905 623 D CB 0.500 41.287 40.800 -0.021 0.000 0.895 623 D HN 0.572 nan 8.370 nan 0.000 0.532 624 D N -0.215 120.156 120.400 -0.049 0.000 2.249 624 D HA 0.060 4.701 4.640 0.001 0.000 0.205 624 D C 2.067 178.334 176.300 -0.055 0.000 0.962 624 D CA 0.339 54.315 54.000 -0.040 0.000 0.860 624 D CB 0.370 41.154 40.800 -0.027 0.000 0.955 624 D HN 0.238 nan 8.370 nan 0.000 0.505 625 I N -0.797 119.718 120.570 -0.092 0.000 2.628 625 I HA 0.263 4.434 4.170 0.001 0.000 0.255 625 I C 1.207 177.234 176.117 -0.149 0.000 1.119 625 I CA 0.418 61.635 61.300 -0.138 0.000 1.448 625 I CB 0.249 38.103 38.000 -0.244 0.000 1.133 625 I HN 0.060 nan 8.210 nan 0.000 0.438 626 G N -0.301 108.411 108.800 -0.147 0.000 2.361 626 G HA2 -0.141 3.819 3.960 0.001 0.000 0.331 626 G HA3 -0.141 3.819 3.960 0.001 0.000 0.331 626 G C -0.376 174.479 174.900 -0.076 0.000 1.324 626 G CA -0.514 44.534 45.100 -0.085 0.000 0.984 626 G HN -0.045 nan 8.290 nan 0.000 0.586 627 F N 0.083 119.951 119.950 -0.137 0.000 2.408 627 F HA 0.058 4.586 4.527 0.001 0.000 0.300 627 F C 2.551 178.272 175.800 -0.132 0.000 1.090 627 F CA 2.100 60.028 58.000 -0.120 0.000 1.427 627 F CB 0.159 39.102 39.000 -0.095 0.000 1.070 627 F HN 0.393 nan 8.300 nan 0.000 0.549 628 V N 0.212 120.054 119.914 -0.120 0.000 2.594 628 V HA -0.263 3.857 4.120 0.001 0.000 0.253 628 V C 2.244 178.187 176.094 -0.251 0.000 1.069 628 V CA 2.515 64.724 62.300 -0.153 0.000 1.082 628 V CB -0.803 30.947 31.823 -0.121 0.000 0.680 628 V HN 0.600 nan 8.190 nan 0.000 0.469 629 T N -2.839 111.481 114.554 -0.390 0.000 3.160 629 T HA -0.008 4.342 4.350 0.001 0.000 0.257 629 T C 1.563 176.109 174.700 -0.257 0.000 1.147 629 T CA 0.650 62.567 62.100 -0.305 0.000 1.064 629 T CB -0.332 68.340 68.868 -0.327 0.000 0.949 629 T HN 0.550 nan 8.240 nan 0.000 0.526 630 R N 0.255 120.490 120.500 -0.441 0.000 2.509 630 R HA 0.406 4.746 4.340 0.001 0.000 0.300 630 R C -0.560 175.397 176.300 -0.571 0.000 0.985 630 R CA -0.194 55.577 56.100 -0.548 0.000 1.092 630 R CB 0.904 30.706 30.300 -0.831 0.000 1.237 630 R HN 0.266 nan 8.270 nan 0.000 0.546 631 V N 0.891 120.570 119.914 -0.392 0.000 2.612 631 V HA 0.216 4.337 4.120 0.001 0.000 0.301 631 V C 0.082 176.114 176.094 -0.103 0.000 1.046 631 V CA -0.945 61.203 62.300 -0.253 0.000 0.946 631 V CB 1.274 33.034 31.823 -0.104 0.000 1.003 631 V HN 0.108 nan 8.190 nan 0.000 0.459 632 Y N 1.925 122.229 120.300 0.006 0.000 2.702 632 Y HA 0.000 4.551 4.550 0.001 0.000 0.336 632 Y C 1.211 177.154 175.900 0.070 0.000 1.235 632 Y CA 0.142 58.273 58.100 0.052 0.000 1.492 632 Y CB 0.308 38.829 38.460 0.102 0.000 1.308 632 Y HN 0.566 nan 8.280 nan 0.000 0.589 633 Q N 1.515 121.473 119.800 0.263 0.000 2.311 633 Q HA 0.177 4.518 4.340 0.001 0.000 0.272 633 Q C 0.992 177.105 176.000 0.188 0.000 1.012 633 Q CA 0.742 56.645 55.803 0.167 0.000 0.891 633 Q CB 0.691 29.492 28.738 0.104 0.000 1.201 633 Q HN 1.047 nan 8.270 nan 0.000 0.391 634 G N 1.300 110.194 108.800 0.157 0.000 2.159 634 G HA2 -0.242 3.719 3.960 0.001 0.000 0.256 634 G HA3 -0.242 3.719 3.960 0.001 0.000 0.256 634 G C -0.059 174.944 174.900 0.171 0.000 0.977 634 G CA 0.064 45.275 45.100 0.186 0.000 0.652 634 G HN 0.458 nan 8.290 nan 0.000 0.531 635 V N 0.646 120.637 119.914 0.129 0.000 2.628 635 V HA 0.710 4.831 4.120 0.001 0.000 0.306 635 V C 1.161 177.161 176.094 -0.157 0.000 1.045 635 V CA -0.513 61.793 62.300 0.011 0.000 0.905 635 V CB 1.791 33.681 31.823 0.113 0.000 0.997 635 V HN 0.446 nan 8.190 nan 0.000 0.436 636 K N 2.640 122.631 120.400 -0.682 0.000 1.931 636 K HA -0.312 4.008 4.320 0.001 0.000 0.126 636 K C 1.305 177.921 176.600 0.027 0.000 1.372 636 K CA 1.961 57.918 56.287 -0.550 0.000 0.483 636 K CB -0.805 31.538 32.500 -0.263 0.000 0.562 636 K HN 0.864 nan 8.250 nan 0.000 0.923 637 E N 1.152 121.369 120.200 0.028 0.000 2.338 637 E HA -0.076 4.275 4.350 0.001 0.000 0.197 637 E C 0.652 177.308 176.600 0.092 0.000 1.007 637 E CA 0.749 57.133 56.400 -0.026 0.000 0.849 637 E CB -0.211 29.423 29.700 -0.111 0.000 0.774 637 E HN 0.325 nan 8.360 nan 0.000 0.506 638 N N 0.066 118.830 118.700 0.106 0.000 2.918 638 N HA 0.206 4.946 4.740 0.001 0.000 0.247 638 N C 0.169 175.761 175.510 0.136 0.000 1.117 638 N CA 0.470 53.622 53.050 0.169 0.000 1.005 638 N CB 0.253 38.841 38.487 0.169 0.000 1.297 638 N HN 0.125 nan 8.380 nan 0.000 0.513 639 G N 1.126 110.000 108.800 0.123 0.000 2.159 639 G HA2 -0.196 3.765 3.960 0.001 0.000 0.256 639 G HA3 -0.196 3.765 3.960 0.001 0.000 0.256 639 G C 0.342 175.381 174.900 0.233 0.000 0.977 639 G CA 0.244 45.416 45.100 0.119 0.000 0.652 639 G HN 0.869 nan 8.290 nan 0.000 0.531 640 A N -0.561 122.380 122.820 0.202 0.000 2.246 640 A HA 0.800 5.120 4.320 0.001 0.000 0.291 640 A C 0.545 178.214 177.584 0.143 0.000 1.103 640 A CA -0.416 51.740 52.037 0.200 0.000 0.844 640 A CB 0.538 19.642 19.000 0.174 0.000 1.136 640 A HN 0.715 nan 8.150 nan 0.000 0.500 641 I N 0.957 121.546 120.570 0.031 0.000 2.241 641 I HA 0.106 4.276 4.170 0.001 0.000 0.294 641 I C -0.886 175.278 176.117 0.078 0.000 1.145 641 I CA 0.282 61.542 61.300 -0.066 0.000 1.261 641 I CB -0.374 37.520 38.000 -0.176 0.000 1.475 641 I HN 0.476 nan 8.210 nan 0.000 0.533 642 F N 4.738 124.711 119.950 0.038 0.000 2.434 642 F HA 0.095 4.623 4.527 0.001 0.000 0.358 642 F C 1.710 177.517 175.800 0.012 0.000 1.136 642 F CA 0.371 58.434 58.000 0.104 0.000 1.157 642 F CB 0.888 39.985 39.000 0.162 0.000 1.167 642 F HN 0.439 nan 8.300 nan 0.000 0.539 643 S N 2.777 118.451 115.700 -0.044 0.000 2.365 643 S HA -0.320 4.151 4.470 0.001 0.000 0.225 643 S C 1.933 176.440 174.600 -0.155 0.000 1.039 643 S CA 1.764 59.916 58.200 -0.080 0.000 1.033 643 S CB -0.614 62.542 63.200 -0.074 0.000 0.887 643 S HN 0.890 nan 8.310 nan 0.000 0.447 644 H N 2.342 121.354 119.070 -0.097 0.000 2.267 644 H HA -0.124 4.433 4.556 0.001 0.000 0.291 644 H C -1.038 173.722 175.328 -0.946 0.000 1.094 644 H CA 2.418 58.314 56.048 -0.254 0.000 1.227 644 H CB -0.963 28.937 29.762 0.230 0.000 1.351 644 H HN 0.323 nan 8.280 nan 0.000 0.483 645 P HA -0.066 nan 4.420 nan 0.000 0.226 645 P C 0.843 177.499 177.300 -1.073 0.000 1.153 645 P CA 1.117 63.226 63.100 -1.652 0.000 0.777 645 P CB 0.051 31.052 31.700 -1.164 0.000 0.794 646 N N -0.062 118.186 118.700 -0.753 0.000 2.069 646 N HA -0.125 4.616 4.740 0.001 0.000 0.191 646 N C -0.859 173.983 175.510 -1.114 0.000 1.031 646 N CA 1.725 54.385 53.050 -0.649 0.000 0.852 646 N CB -1.477 36.792 38.487 -0.364 0.000 1.018 646 N HN 0.233 nan 8.380 nan 0.000 0.423 647 P HA -0.114 nan 4.420 nan 0.000 0.218 647 P C 0.838 177.737 177.300 -0.668 0.000 1.148 647 P CA 0.948 63.081 63.100 -1.612 0.000 0.822 647 P CB -0.174 30.968 31.700 -0.929 0.000 0.784 648 W N 0.048 120.877 121.300 -0.785 0.000 2.363 648 W HA 0.023 4.684 4.660 0.001 0.000 0.296 648 W C 2.449 178.739 176.519 -0.380 0.000 1.212 648 W CA 0.705 57.662 57.345 -0.646 0.000 1.260 648 W CB -1.970 27.070 29.460 -0.699 0.000 1.131 648 W HN -0.026 nan 8.180 nan 0.000 0.530 649 A N -0.392 122.348 122.820 -0.132 0.000 1.930 649 A HA -0.151 4.169 4.320 0.001 0.000 0.217 649 A C 1.800 179.578 177.584 0.323 0.000 1.175 649 A CA 1.510 53.573 52.037 0.044 0.000 0.627 649 A CB -1.217 17.727 19.000 -0.093 0.000 0.815 649 A HN 0.256 nan 8.150 nan 0.000 0.443 650 W N -0.075 121.317 121.300 0.154 0.000 2.379 650 W HA -0.058 4.603 4.660 0.001 0.000 0.307 650 W C 2.258 178.803 176.519 0.044 0.000 1.200 650 W CA 0.715 58.157 57.345 0.161 0.000 1.297 650 W CB -1.638 27.919 29.460 0.162 0.000 1.140 650 W HN 0.150 nan 8.180 nan 0.000 0.507 651 V N 1.350 121.365 119.914 0.168 0.000 2.287 651 V HA -0.307 3.814 4.120 0.001 0.000 0.248 651 V C 2.635 178.670 176.094 -0.098 0.000 1.053 651 V CA 2.565 64.796 62.300 -0.116 0.000 1.027 651 V CB -1.692 29.882 31.823 -0.415 0.000 0.646 651 V HN 0.148 nan 8.190 nan 0.000 0.447 652 A N -0.363 122.425 122.820 -0.054 0.000 1.892 652 A HA -0.258 4.062 4.320 0.001 0.000 0.218 652 A C 2.196 179.797 177.584 0.030 0.000 1.188 652 A CA 1.962 53.978 52.037 -0.034 0.000 0.631 652 A CB -0.518 18.482 19.000 -0.001 0.000 0.822 652 A HN 0.530 nan 8.150 nan 0.000 0.447 653 E N -0.357 119.903 120.200 0.099 0.000 2.110 653 E HA -0.149 4.201 4.350 0.001 0.000 0.193 653 E C 2.339 178.954 176.600 0.025 0.000 0.988 653 E CA 1.831 58.273 56.400 0.071 0.000 0.804 653 E CB -0.862 28.887 29.700 0.081 0.000 0.745 653 E HN 0.868 nan 8.360 nan 0.000 0.458 654 T N -0.896 113.683 114.554 0.041 0.000 2.821 654 T HA -0.055 4.295 4.350 0.001 0.000 0.267 654 T C 1.780 176.505 174.700 0.042 0.000 1.046 654 T CA 0.864 62.986 62.100 0.038 0.000 1.139 654 T CB -0.050 68.878 68.868 0.100 0.000 0.871 654 T HN 0.046 nan 8.240 nan 0.000 0.454 655 K N 0.707 121.128 120.400 0.035 0.000 2.288 655 K HA 0.194 4.515 4.320 0.001 0.000 0.201 655 K C 1.922 178.533 176.600 0.018 0.000 1.048 655 K CA 0.684 56.991 56.287 0.033 0.000 0.956 655 K CB -0.209 32.293 32.500 0.004 0.000 0.746 655 K HN 0.405 nan 8.250 nan 0.000 0.461 656 L N -0.383 120.847 121.223 0.011 0.000 2.567 656 L HA 0.109 4.450 4.340 0.001 0.000 0.225 656 L C 1.005 177.873 176.870 -0.003 0.000 1.119 656 L CA 0.243 55.087 54.840 0.007 0.000 0.871 656 L CB 0.068 42.135 42.059 0.014 0.000 1.036 656 L HN 0.342 nan 8.230 nan 0.000 0.459 657 G N 1.278 110.074 108.800 -0.007 0.000 2.147 657 G HA2 -0.296 3.665 3.960 0.001 0.000 0.244 657 G HA3 -0.296 3.665 3.960 0.001 0.000 0.244 657 G C 0.281 175.154 174.900 -0.044 0.000 1.005 657 G CA -0.208 44.880 45.100 -0.021 0.000 0.713 657 G HN 0.431 nan 8.290 nan 0.000 0.515 658 R N 0.346 120.813 120.500 -0.056 0.000 2.937 658 R HA 0.424 4.764 4.340 0.001 0.000 0.264 658 R C 1.786 178.002 176.300 -0.141 0.000 1.334 658 R CA 0.028 56.072 56.100 -0.093 0.000 1.516 658 R CB 0.650 30.897 30.300 -0.089 0.000 1.187 658 R HN 0.235 nan 8.270 nan 0.000 0.609 659 G N 1.393 110.098 108.800 -0.159 0.000 2.422 659 G HA2 -0.250 3.711 3.960 0.001 0.000 0.218 659 G HA3 -0.250 3.711 3.960 0.001 0.000 0.218 659 G C 0.936 175.661 174.900 -0.292 0.000 1.146 659 G CA 0.571 45.531 45.100 -0.233 0.000 0.769 659 G HN 0.427 nan 8.290 nan 0.000 0.547 660 D N 0.190 120.437 120.400 -0.255 0.000 2.144 660 D HA -0.083 4.558 4.640 0.001 0.000 0.200 660 D C 2.590 178.698 176.300 -0.321 0.000 0.978 660 D CA 0.805 54.648 54.000 -0.260 0.000 0.833 660 D CB 0.037 40.721 40.800 -0.194 0.000 0.961 660 D HN 0.140 nan 8.370 nan 0.000 0.470 661 R N 1.398 121.687 120.500 -0.352 0.000 2.066 661 R HA -0.044 4.297 4.340 0.001 0.000 0.232 661 R C 2.094 177.956 176.300 -0.730 0.000 1.131 661 R CA 1.623 57.384 56.100 -0.565 0.000 0.955 661 R CB -0.783 29.245 30.300 -0.453 0.000 0.851 661 R HN 0.052 nan 8.270 nan 0.000 0.432 662 A N 0.100 122.677 122.820 -0.405 0.000 1.883 662 A HA -0.201 4.119 4.320 0.001 0.000 0.217 662 A C 2.145 179.548 177.584 -0.302 0.000 1.186 662 A CA 1.950 53.849 52.037 -0.230 0.000 0.624 662 A CB -0.586 18.344 19.000 -0.117 0.000 0.822 662 A HN 0.418 nan 8.150 nan 0.000 0.444 663 M N -0.232 119.171 119.600 -0.328 0.000 2.296 663 M HA -0.044 4.437 4.480 0.001 0.000 0.265 663 M C 1.877 178.083 176.300 -0.158 0.000 1.064 663 M CA 1.852 56.995 55.300 -0.261 0.000 1.109 663 M CB -0.429 32.006 32.600 -0.275 0.000 1.396 663 M HN 0.472 nan 8.290 nan 0.000 0.430 664 K N -0.916 119.333 120.400 -0.251 0.000 2.057 664 K HA -0.149 4.172 4.320 0.001 0.000 0.206 664 K C 1.592 178.236 176.600 0.075 0.000 1.050 664 K CA 1.410 57.592 56.287 -0.175 0.000 0.935 664 K CB -0.156 32.096 32.500 -0.413 0.000 0.715 664 K HN 0.236 nan 8.250 nan 0.000 0.439 665 F N 0.075 120.025 119.950 -0.000 0.000 2.146 665 F HA -0.128 4.400 4.527 0.001 0.000 0.298 665 F C 2.334 178.184 175.800 0.082 0.000 1.096 665 F CA 0.620 58.743 58.000 0.205 0.000 1.275 665 F CB -1.322 37.892 39.000 0.357 0.000 1.008 665 F HN 0.104 nan 8.300 nan 0.000 0.480 666 Y N 1.394 121.484 120.300 -0.351 0.000 2.145 666 Y HA -0.245 4.306 4.550 0.001 0.000 0.286 666 Y C 2.187 177.992 175.900 -0.157 0.000 1.145 666 Y CA 1.950 59.630 58.100 -0.701 0.000 1.148 666 Y CB -0.549 37.332 38.460 -0.965 0.000 0.981 666 Y HN -0.043 nan 8.280 nan 0.000 0.507 667 D N 0.076 120.479 120.400 0.004 0.000 2.144 667 D HA -0.176 4.465 4.640 0.001 0.000 0.199 667 D C 2.227 178.536 176.300 0.015 0.000 0.984 667 D CA 1.394 55.405 54.000 0.017 0.000 0.834 667 D CB -0.521 40.335 40.800 0.094 0.000 0.955 667 D HN 0.507 nan 8.370 nan 0.000 0.465 668 A N 0.273 123.167 122.820 0.124 0.000 1.930 668 A HA -0.086 4.234 4.320 0.001 0.000 0.217 668 A C 2.122 179.746 177.584 0.067 0.000 1.175 668 A CA 0.820 52.933 52.037 0.127 0.000 0.627 668 A CB -0.423 18.756 19.000 0.298 0.000 0.815 668 A HN 0.239 nan 8.150 nan 0.000 0.443 669 L N -0.391 120.900 121.223 0.113 0.000 2.416 669 L HA 0.184 4.525 4.340 0.001 0.000 0.216 669 L C 0.661 177.561 176.870 0.050 0.000 1.098 669 L CA 0.243 55.170 54.840 0.146 0.000 0.840 669 L CB -0.371 41.895 42.059 0.345 0.000 0.981 669 L HN 0.334 nan 8.230 nan 0.000 0.462 670 N N 0.639 119.252 118.700 -0.145 0.000 2.417 670 N HA -0.038 4.703 4.740 0.001 0.000 0.272 670 N C -1.780 173.606 175.510 -0.206 0.000 1.304 670 N CA -1.113 51.764 53.050 -0.287 0.000 0.906 670 N CB 1.066 39.292 38.487 -0.435 0.000 1.135 670 N HN 0.053 nan 8.380 nan 0.000 0.483 671 P HA -0.164 nan 4.420 nan 0.000 0.216 671 P C 0.964 178.191 177.300 -0.122 0.000 1.150 671 P CA 1.098 64.025 63.100 -0.288 0.000 0.843 671 P CB -0.102 31.310 31.700 -0.480 0.000 0.787 672 Y N 1.089 121.265 120.300 -0.208 0.000 2.139 672 Y HA -0.269 4.281 4.550 0.001 0.000 0.282 672 Y C 1.718 177.573 175.900 -0.076 0.000 1.179 672 Y CA 1.743 59.735 58.100 -0.180 0.000 1.161 672 Y CB -0.864 37.361 38.460 -0.392 0.000 0.970 672 Y HN -0.068 nan 8.280 nan 0.000 0.511 673 N N 0.337 119.079 118.700 0.070 0.000 2.550 673 N HA -0.108 4.633 4.740 0.001 0.000 0.186 673 N C 0.589 176.074 175.510 -0.043 0.000 1.110 673 N CA 1.095 54.157 53.050 0.019 0.000 0.912 673 N CB -0.148 38.375 38.487 0.060 0.000 0.968 673 N HN 0.646 nan 8.380 nan 0.000 0.448 674 Q N -0.243 119.523 119.800 -0.056 0.000 2.189 674 Q HA 0.188 4.529 4.340 0.001 0.000 0.221 674 Q C 1.016 177.002 176.000 -0.023 0.000 0.848 674 Q CA -0.294 55.487 55.803 -0.037 0.000 1.007 674 Q CB 0.234 28.950 28.738 -0.037 0.000 1.116 674 Q HN 0.297 nan 8.270 nan 0.000 0.481 675 N N 1.250 119.933 118.700 -0.030 0.000 2.272 675 N HA -0.177 4.564 4.740 0.001 0.000 0.185 675 N C 0.456 176.021 175.510 0.092 0.000 1.014 675 N CA 1.171 54.249 53.050 0.046 0.000 0.870 675 N CB 0.289 38.816 38.487 0.068 0.000 0.975 675 N HN 0.164 nan 8.380 nan 0.000 0.433 676 D N 0.011 120.438 120.400 0.046 0.000 2.525 676 D HA 0.106 4.746 4.640 0.001 0.000 0.229 676 D C 0.529 176.860 176.300 0.052 0.000 1.202 676 D CA -0.205 53.824 54.000 0.049 0.000 0.828 676 D CB -0.123 40.687 40.800 0.016 0.000 1.008 676 D HN 0.504 nan 8.370 nan 0.000 0.493 677 I N -2.808 117.805 120.570 0.071 0.000 3.241 677 I HA 0.227 4.398 4.170 0.001 0.000 0.333 677 I C 0.475 176.656 176.117 0.107 0.000 1.534 677 I CA -0.449 60.897 61.300 0.077 0.000 0.979 677 I CB 0.333 38.373 38.000 0.066 0.000 1.497 677 I HN -0.258 nan 8.210 nan 0.000 0.530 678 I N 2.614 123.283 120.570 0.166 0.000 2.335 678 I HA -0.224 3.946 4.170 0.001 0.000 0.251 678 I C 2.840 179.057 176.117 0.166 0.000 1.129 678 I CA 1.477 62.912 61.300 0.225 0.000 1.402 678 I CB -1.107 37.156 38.000 0.438 0.000 1.069 678 I HN 0.624 nan 8.210 nan 0.000 0.424 679 E N 1.872 122.164 120.200 0.153 0.000 2.209 679 E HA -0.238 4.112 4.350 0.001 0.000 0.196 679 E C 1.673 178.308 176.600 0.058 0.000 0.993 679 E CA 1.314 57.777 56.400 0.106 0.000 0.819 679 E CB -0.249 29.503 29.700 0.086 0.000 0.745 679 E HN 0.520 nan 8.360 nan 0.000 0.477 680 K N 0.096 120.527 120.400 0.053 0.000 2.190 680 K HA 0.121 4.441 4.320 0.001 0.000 0.202 680 K C 2.481 179.049 176.600 -0.053 0.000 1.045 680 K CA 0.291 56.582 56.287 0.006 0.000 0.976 680 K CB 0.163 32.693 32.500 0.050 0.000 0.849 680 K HN -0.032 nan 8.250 nan 0.000 0.468 681 R N 1.039 121.529 120.500 -0.016 0.000 2.073 681 R HA -0.104 4.237 4.340 0.001 0.000 0.229 681 R C 1.015 177.276 176.300 -0.065 0.000 1.120 681 R CA 1.538 57.596 56.100 -0.070 0.000 0.967 681 R CB 0.064 30.341 30.300 -0.040 0.000 0.862 681 R HN 0.127 nan 8.270 nan 0.000 0.436 682 I N -1.732 118.849 120.570 0.019 0.000 4.519 682 I HA -0.370 3.801 4.170 0.001 0.000 0.056 682 I C 0.846 177.062 176.117 0.165 0.000 0.610 682 I CA 1.677 63.012 61.300 0.059 0.000 0.951 682 I CB -2.389 35.610 38.000 -0.002 0.000 0.858 682 I HN 0.361 nan 8.210 nan 0.000 0.164 683 A N 1.422 124.243 122.820 0.002 0.000 2.327 683 A HA 0.331 4.652 4.320 0.001 0.000 0.255 683 A C 0.508 177.787 177.584 -0.509 0.000 1.099 683 A CA 0.025 51.994 52.037 -0.113 0.000 0.801 683 A CB -0.072 18.796 19.000 -0.219 0.000 1.062 683 A HN 0.380 nan 8.150 nan 0.000 0.496 684 E N 1.298 120.857 120.200 -1.068 0.000 2.765 684 E HA 0.016 4.366 4.350 0.001 0.000 0.256 684 E C -1.661 174.061 176.600 -1.464 0.000 0.935 684 E CA -0.206 55.025 56.400 -1.950 0.000 0.954 684 E CB 0.268 28.735 29.700 -2.055 0.000 0.908 684 E HN 0.400 nan 8.360 nan 0.000 0.500 685 P HA -0.102 nan 4.420 nan 0.000 0.245 685 P C -0.156 176.796 177.300 -0.580 0.000 1.212 685 P CA 0.805 63.437 63.100 -0.781 0.000 0.774 685 P CB 0.046 31.429 31.700 -0.529 0.000 0.999 686 Y N -2.734 117.074 120.300 -0.819 0.000 2.531 686 Y HA 0.615 5.166 4.550 0.001 0.000 0.249 686 Y C 0.467 176.033 175.900 -0.557 0.000 1.168 686 Y CA -1.157 56.566 58.100 -0.628 0.000 1.226 686 Y CB -0.284 37.450 38.460 -1.209 0.000 1.177 686 Y HN -0.208 nan 8.280 nan 0.000 0.527 687 S N -0.082 115.121 115.700 -0.827 0.000 2.547 687 S HA 0.500 4.971 4.470 0.001 0.000 0.281 687 S C -1.346 172.907 174.600 -0.579 0.000 1.118 687 S CA -0.594 57.170 58.200 -0.727 0.000 0.947 687 S CB 0.579 63.144 63.200 -1.058 0.000 1.053 687 S HN 0.190 nan 8.310 nan 0.000 0.482 688 Y N 2.147 122.272 120.300 -0.291 0.000 2.379 688 Y HA 0.413 4.964 4.550 0.001 0.000 0.337 688 Y C 0.844 176.613 175.900 -0.219 0.000 1.238 688 Y CA 0.066 58.048 58.100 -0.196 0.000 1.405 688 Y CB 0.844 39.247 38.460 -0.094 0.000 1.310 688 Y HN 0.530 nan 8.280 nan 0.000 0.569 689 V N 0.029 119.927 119.914 -0.027 0.000 3.046 689 V HA 0.378 4.498 4.120 0.001 0.000 0.316 689 V C 0.627 176.656 176.094 -0.109 0.000 1.104 689 V CA -0.927 61.307 62.300 -0.110 0.000 1.006 689 V CB 1.838 33.523 31.823 -0.230 0.000 1.058 689 V HN 0.868 nan 8.190 nan 0.000 0.440 690 Q N 0.885 120.607 119.800 -0.129 0.000 2.050 690 Q HA 0.044 4.385 4.340 0.001 0.000 0.202 690 Q C 0.175 175.945 176.000 -0.383 0.000 0.980 690 Q CA 2.283 57.979 55.803 -0.178 0.000 0.840 690 Q CB 0.093 28.825 28.738 -0.011 0.000 0.898 690 Q HN 0.886 nan 8.270 nan 0.000 0.424 691 F N -2.056 117.577 119.950 -0.527 0.000 2.678 691 F HA 0.570 5.097 4.527 0.001 0.000 0.308 691 F C -1.740 173.862 175.800 -0.330 0.000 1.118 691 F CA -1.533 56.170 58.000 -0.495 0.000 0.959 691 F CB 0.928 39.559 39.000 -0.615 0.000 1.305 691 F HN -0.218 nan 8.300 nan 0.000 0.443 692 I N 3.926 124.394 120.570 -0.171 0.000 2.433 692 I HA 0.348 4.519 4.170 0.001 0.000 0.292 692 I C -0.188 175.916 176.117 -0.021 0.000 1.001 692 I CA -0.927 60.226 61.300 -0.244 0.000 1.119 692 I CB 1.726 39.591 38.000 -0.224 0.000 1.289 692 I HN 0.536 nan 8.210 nan 0.000 0.438 693 M N 3.957 123.516 119.600 -0.069 0.000 2.261 693 M HA 0.094 4.575 4.480 0.001 0.000 0.350 693 M C 0.814 177.228 176.300 0.191 0.000 1.343 693 M CA 0.432 55.776 55.300 0.073 0.000 1.003 693 M CB -0.554 32.021 32.600 -0.042 0.000 1.848 693 M HN 0.819 nan 8.290 nan 0.000 0.456 694 G N 2.383 111.325 108.800 0.236 0.000 2.621 694 G HA2 0.256 4.217 3.960 0.001 0.000 0.271 694 G HA3 0.256 4.217 3.960 0.001 0.000 0.271 694 G C 0.797 175.791 174.900 0.157 0.000 1.236 694 G CA -0.438 44.841 45.100 0.298 0.000 0.958 694 G HN 0.821 nan 8.290 nan 0.000 0.512 695 R N -0.639 119.829 120.500 -0.054 0.000 2.159 695 R HA -0.084 4.257 4.340 0.001 0.000 0.237 695 R C 1.511 177.699 176.300 -0.187 0.000 1.131 695 R CA 1.865 57.644 56.100 -0.534 0.000 0.982 695 R CB -0.212 29.831 30.300 -0.427 0.000 0.868 695 R HN 0.527 nan 8.270 nan 0.000 0.453 696 D N -0.760 119.608 120.400 -0.053 0.000 2.363 696 D HA -0.090 4.551 4.640 0.001 0.000 0.220 696 D C -0.116 176.212 176.300 0.046 0.000 0.994 696 D CA 0.626 54.619 54.000 -0.011 0.000 0.890 696 D CB -0.075 40.726 40.800 0.003 0.000 0.906 696 D HN 0.330 nan 8.370 nan 0.000 0.530 697 H N 1.157 120.234 119.070 0.012 0.000 2.472 697 H HA 0.093 4.650 4.556 0.001 0.000 0.338 697 H C 1.092 176.438 175.328 0.031 0.000 1.133 697 H CA -0.189 55.873 56.048 0.024 0.000 1.216 697 H CB 1.526 31.321 29.762 0.055 0.000 1.497 697 H HN -0.059 nan 8.280 nan 0.000 0.500 698 Q N 2.084 121.688 119.800 -0.327 0.000 2.364 698 Q HA -0.096 4.245 4.340 0.001 0.000 0.209 698 Q C -0.231 175.834 176.000 0.108 0.000 0.977 698 Q CA 1.383 57.128 55.803 -0.096 0.000 0.885 698 Q CB 0.262 28.892 28.738 -0.181 0.000 0.941 698 Q HN 0.433 nan 8.270 nan 0.000 0.464 699 D N 0.627 121.264 120.400 0.395 0.000 2.358 699 D HA 0.009 4.650 4.640 0.001 0.000 0.224 699 D C -0.487 175.886 176.300 0.122 0.000 1.123 699 D CA -0.147 53.995 54.000 0.237 0.000 0.833 699 D CB -0.314 40.608 40.800 0.204 0.000 0.946 699 D HN 0.317 nan 8.370 nan 0.000 0.505 700 H N 0.595 119.696 119.070 0.052 0.000 3.223 700 H HA 0.118 4.674 4.556 0.001 0.000 0.287 700 H C 1.544 176.671 175.328 -0.334 0.000 0.910 700 H CA 1.532 57.535 56.048 -0.075 0.000 1.406 700 H CB 0.023 29.794 29.762 0.014 0.000 1.377 700 H HN 0.307 nan 8.280 nan 0.000 0.556 701 G N 3.777 112.039 108.800 -0.896 0.000 2.307 701 G HA2 -0.254 3.706 3.960 0.001 0.000 0.210 701 G HA3 -0.254 3.706 3.960 0.001 0.000 0.210 701 G C 0.612 175.092 174.900 -0.701 0.000 1.005 701 G CA -0.022 44.185 45.100 -1.489 0.000 0.634 701 G HN 0.861 nan 8.290 nan 0.000 0.496 702 R N 1.510 121.770 120.500 -0.400 0.000 2.401 702 R HA 0.587 4.927 4.340 0.001 0.000 0.299 702 R C 0.492 176.587 176.300 -0.340 0.000 1.064 702 R CA 0.531 56.463 56.100 -0.280 0.000 1.000 702 R CB 0.340 30.527 30.300 -0.188 0.000 0.973 702 R HN 0.619 nan 8.270 nan 0.000 0.438 703 A N 4.650 127.282 122.820 -0.314 0.000 2.309 703 A HA 0.351 4.671 4.320 0.001 0.000 0.298 703 A C -1.015 176.308 177.584 -0.435 0.000 1.165 703 A CA -0.771 51.039 52.037 -0.378 0.000 0.821 703 A CB 0.686 19.510 19.000 -0.293 0.000 1.102 703 A HN 0.930 nan 8.150 nan 0.000 0.500 704 N N 0.583 118.868 118.700 -0.692 0.000 2.258 704 N HA 0.583 5.324 4.740 0.001 0.000 0.299 704 N C -1.488 173.690 175.510 -0.553 0.000 1.047 704 N CA -0.717 51.897 53.050 -0.726 0.000 0.814 704 N CB 1.028 38.724 38.487 -1.318 0.000 1.413 704 N HN 0.817 nan 8.380 nan 0.000 0.478 705 H N -1.554 117.411 119.070 -0.175 0.000 3.190 705 H HA -0.120 4.436 4.556 0.001 0.000 0.360 705 H C -2.593 172.708 175.328 -0.045 0.000 1.196 705 H CA -0.707 55.311 56.048 -0.049 0.000 1.178 705 H CB -1.189 28.569 29.762 -0.007 0.000 1.579 705 H HN 0.443 nan 8.280 nan 0.000 0.416 706 P HA -0.068 nan 4.420 nan 0.000 0.279 706 P C 0.670 178.071 177.300 0.168 0.000 1.282 706 P CA 0.083 63.175 63.100 -0.015 0.000 0.788 706 P CB 1.053 32.673 31.700 -0.133 0.000 1.139 707 W N -2.273 118.986 121.300 -0.068 0.000 1.673 707 W HA -0.287 4.374 4.660 0.001 0.000 0.287 707 W C 0.972 177.427 176.519 -0.106 0.000 1.857 707 W CA 0.779 58.068 57.345 -0.095 0.000 2.204 707 W CB -2.194 27.222 29.460 -0.073 0.000 0.958 707 W HN 0.145 nan 8.180 nan 0.000 0.446 708 L N 1.910 123.254 121.223 0.203 0.000 2.437 708 L HA 0.351 4.691 4.340 0.001 0.000 0.243 708 L C 0.508 177.411 176.870 0.054 0.000 1.346 708 L CA 0.705 55.583 54.840 0.063 0.000 1.233 708 L CB -0.877 41.183 42.059 0.002 0.000 1.436 708 L HN 0.052 nan 8.230 nan 0.000 0.416 709 T N -1.211 113.389 114.554 0.077 0.000 2.893 709 T HA 0.435 4.785 4.350 0.001 0.000 0.293 709 T C 1.167 175.948 174.700 0.134 0.000 1.027 709 T CA -0.146 62.022 62.100 0.113 0.000 0.988 709 T CB 1.933 70.861 68.868 0.101 0.000 1.043 709 T HN 0.406 nan 8.240 nan 0.000 0.461 710 G N 2.084 111.039 108.800 0.259 0.000 2.625 710 G HA2 -0.056 3.905 3.960 0.001 0.000 0.214 710 G HA3 -0.056 3.905 3.960 0.001 0.000 0.214 710 G C 1.250 176.191 174.900 0.067 0.000 1.132 710 G CA 1.099 46.366 45.100 0.278 0.000 0.782 710 G HN 0.798 nan 8.290 nan 0.000 0.538 711 T N 1.440 115.997 114.554 0.005 0.000 2.759 711 T HA -0.197 4.154 4.350 0.001 0.000 0.269 711 T C 2.891 177.434 174.700 -0.260 0.000 1.042 711 T CA 1.806 63.770 62.100 -0.228 0.000 1.140 711 T CB -0.278 68.463 68.868 -0.211 0.000 0.864 711 T HN 0.576 nan 8.240 nan 0.000 0.455 712 S N 1.458 117.105 115.700 -0.088 0.000 2.356 712 S HA -0.032 4.438 4.470 0.001 0.000 0.223 712 S C 2.442 177.091 174.600 0.082 0.000 1.032 712 S CA 1.234 59.447 58.200 0.020 0.000 1.005 712 S CB -1.256 62.018 63.200 0.124 0.000 0.867 712 S HN 0.509 nan 8.310 nan 0.000 0.449 713 G N 0.032 108.869 108.800 0.061 0.000 2.418 713 G HA2 -0.173 3.788 3.960 0.001 0.000 0.217 713 G HA3 -0.173 3.788 3.960 0.001 0.000 0.217 713 G C 1.149 176.097 174.900 0.080 0.000 1.158 713 G CA 0.626 45.758 45.100 0.053 0.000 0.771 713 G HN 0.614 nan 8.290 nan 0.000 0.545 714 W N 0.938 122.234 121.300 -0.007 0.000 2.388 714 W HA 0.168 4.829 4.660 0.001 0.000 0.294 714 W C 3.011 179.558 176.519 0.047 0.000 1.212 714 W CA 1.078 58.441 57.345 0.030 0.000 1.271 714 W CB 0.081 29.419 29.460 -0.202 0.000 1.126 714 W HN 0.270 nan 8.180 nan 0.000 0.535 715 A N -0.921 121.988 122.820 0.148 0.000 1.902 715 A HA -0.277 4.043 4.320 0.001 0.000 0.217 715 A C 1.663 179.510 177.584 0.438 0.000 1.181 715 A CA 1.680 53.856 52.037 0.232 0.000 0.623 715 A CB -1.405 17.571 19.000 -0.040 0.000 0.818 715 A HN 0.451 nan 8.150 nan 0.000 0.443 716 Y N -1.055 119.385 120.300 0.233 0.000 2.145 716 Y HA -0.208 4.342 4.550 0.001 0.000 0.286 716 Y C 2.050 178.037 175.900 0.144 0.000 1.145 716 Y CA 2.042 60.245 58.100 0.170 0.000 1.148 716 Y CB -0.528 38.009 38.460 0.130 0.000 0.981 716 Y HN 0.345 nan 8.280 nan 0.000 0.507 717 F N 0.353 120.381 119.950 0.129 0.000 2.102 717 F HA -0.170 4.357 4.527 0.001 0.000 0.298 717 F C 2.323 178.226 175.800 0.171 0.000 1.105 717 F CA 1.513 59.539 58.000 0.044 0.000 1.239 717 F CB -1.031 37.920 39.000 -0.082 0.000 0.991 717 F HN 0.080 nan 8.300 nan 0.000 0.474 718 A N -0.265 122.738 122.820 0.305 0.000 1.877 718 A HA -0.120 4.200 4.320 0.001 0.000 0.216 718 A C 2.341 180.058 177.584 0.222 0.000 1.186 718 A CA 2.125 54.378 52.037 0.360 0.000 0.620 718 A CB -1.356 17.964 19.000 0.533 0.000 0.822 718 A HN 0.255 nan 8.150 nan 0.000 0.443 719 V N 0.563 120.558 119.914 0.136 0.000 2.270 719 V HA -0.237 3.884 4.120 0.001 0.000 0.245 719 V C 3.040 178.979 176.094 -0.259 0.000 1.043 719 V CA 2.515 64.754 62.300 -0.102 0.000 1.014 719 V CB -1.573 30.141 31.823 -0.182 0.000 0.645 719 V HN 0.832 nan 8.190 nan 0.000 0.447 720 T N -1.639 112.637 114.554 -0.463 0.000 2.746 720 T HA -0.202 4.148 4.350 0.001 0.000 0.267 720 T C 1.608 176.094 174.700 -0.358 0.000 1.039 720 T CA 1.909 63.650 62.100 -0.597 0.000 1.142 720 T CB -0.516 67.591 68.868 -1.267 0.000 0.866 720 T HN 0.518 nan 8.240 nan 0.000 0.444 721 N N -0.481 117.937 118.700 -0.469 0.000 2.415 721 N HA 0.103 4.843 4.740 0.001 0.000 0.176 721 N C 0.945 175.920 175.510 -0.891 0.000 1.042 721 N CA 0.719 53.351 53.050 -0.698 0.000 0.902 721 N CB 0.220 38.051 38.487 -1.092 0.000 0.986 721 N HN 0.478 nan 8.380 nan 0.000 0.447 722 Y N 0.103 120.265 120.300 -0.231 0.000 2.701 722 Y HA 0.309 4.860 4.550 0.001 0.000 0.275 722 Y C 2.014 177.845 175.900 -0.115 0.000 1.133 722 Y CA -0.299 57.718 58.100 -0.139 0.000 1.241 722 Y CB 0.135 38.537 38.460 -0.097 0.000 1.389 722 Y HN -0.142 nan 8.280 nan 0.000 0.486 723 I N 0.064 120.625 120.570 -0.015 0.000 2.193 723 I HA -0.231 3.940 4.170 0.001 0.000 0.240 723 I C 1.669 177.667 176.117 -0.199 0.000 1.084 723 I CA 1.524 62.736 61.300 -0.147 0.000 1.365 723 I CB -0.294 37.552 38.000 -0.256 0.000 1.064 723 I HN 0.160 nan 8.210 nan 0.000 0.410 724 L N 0.500 121.595 121.223 -0.213 0.000 2.478 724 L HA 0.109 4.450 4.340 0.001 0.000 0.223 724 L C 1.507 178.409 176.870 0.053 0.000 1.140 724 L CA 0.568 55.299 54.840 -0.182 0.000 0.842 724 L CB -0.734 41.245 42.059 -0.133 0.000 0.953 724 L HN 0.525 nan 8.230 nan 0.000 0.452 725 G N 0.964 109.721 108.800 -0.072 0.000 2.283 725 G HA2 -0.257 3.703 3.960 0.001 0.000 0.280 725 G HA3 -0.257 3.703 3.960 0.001 0.000 0.280 725 G C 0.112 174.929 174.900 -0.139 0.000 1.029 725 G CA 0.232 45.258 45.100 -0.123 0.000 0.840 725 G HN 0.167 nan 8.290 nan 0.000 0.505 726 V N 0.474 120.315 119.914 -0.121 0.000 2.364 726 V HA 0.491 4.611 4.120 0.001 0.000 0.272 726 V C 0.348 176.295 176.094 -0.245 0.000 1.036 726 V CA -0.064 62.159 62.300 -0.128 0.000 0.880 726 V CB 1.419 33.254 31.823 0.021 0.000 0.991 726 V HN 0.468 nan 8.190 nan 0.000 0.460 727 Q N 2.825 122.432 119.800 -0.320 0.000 2.321 727 Q HA 0.464 4.804 4.340 0.001 0.000 0.270 727 Q C -0.272 175.435 176.000 -0.487 0.000 1.032 727 Q CA -0.478 55.106 55.803 -0.364 0.000 0.784 727 Q CB 2.496 31.025 28.738 -0.347 0.000 1.264 727 Q HN 0.865 nan 8.270 nan 0.000 0.448 728 S N 0.718 116.095 115.700 -0.538 0.000 2.580 728 S HA 0.766 5.237 4.470 0.001 0.000 0.274 728 S C 0.253 174.531 174.600 -0.537 0.000 1.329 728 S CA -0.295 57.395 58.200 -0.851 0.000 1.036 728 S CB 1.360 64.126 63.200 -0.723 0.000 0.919 728 S HN 0.682 nan 8.310 nan 0.000 0.515 729 G N -0.001 108.500 108.800 -0.499 0.000 2.733 729 G HA2 0.585 4.545 3.960 0.001 0.000 0.288 729 G HA3 0.585 4.545 3.960 0.001 0.000 0.288 729 G C -0.348 174.435 174.900 -0.194 0.000 1.373 729 G CA -0.962 43.928 45.100 -0.350 0.000 0.895 729 G HN 0.500 nan 8.290 nan 0.000 0.479 730 F N 0.069 119.900 119.950 -0.199 0.000 2.216 730 F HA 0.015 4.543 4.527 0.001 0.000 0.300 730 F C 2.847 178.451 175.800 -0.327 0.000 1.085 730 F CA 1.945 59.664 58.000 -0.467 0.000 1.326 730 F CB -0.034 38.252 39.000 -1.189 0.000 1.027 730 F HN 0.482 nan 8.300 nan 0.000 0.497 731 T N -4.124 110.450 114.554 0.034 0.000 3.004 731 T HA 0.611 4.961 4.350 0.001 0.000 0.266 731 T C 0.679 175.499 174.700 0.200 0.000 0.986 731 T CA 0.305 62.488 62.100 0.138 0.000 0.902 731 T CB 0.332 69.286 68.868 0.144 0.000 1.118 731 T HN 0.233 nan 8.240 nan 0.000 0.522 732 G N 0.842 109.745 108.800 0.171 0.000 2.506 732 G HA2 0.518 4.478 3.960 0.001 0.000 0.292 732 G HA3 0.518 4.478 3.960 0.001 0.000 0.292 732 G C -2.355 172.370 174.900 -0.292 0.000 1.425 732 G CA -0.955 44.225 45.100 0.133 0.000 0.788 732 G HN 0.333 nan 8.290 nan 0.000 0.490 733 L N 1.087 122.033 121.223 -0.461 0.000 2.289 733 L HA 0.785 5.126 4.340 0.001 0.000 0.285 733 L C 0.480 177.099 176.870 -0.417 0.000 1.049 733 L CA -0.413 53.963 54.840 -0.773 0.000 0.804 733 L CB 1.603 43.098 42.059 -0.940 0.000 1.195 733 L HN 0.590 nan 8.230 nan 0.000 0.428 734 S N 3.933 119.404 115.700 -0.381 0.000 2.509 734 S HA 0.796 5.267 4.470 0.001 0.000 0.297 734 S C -1.060 173.411 174.600 -0.216 0.000 1.118 734 S CA -0.574 57.481 58.200 -0.242 0.000 1.074 734 S CB 1.230 64.308 63.200 -0.203 0.000 1.038 734 S HN 0.461 nan 8.310 nan 0.000 0.498 735 V N 4.452 124.277 119.914 -0.147 0.000 2.419 735 V HA 0.470 4.591 4.120 0.001 0.000 0.287 735 V C -1.090 174.962 176.094 -0.069 0.000 1.017 735 V CA -0.599 61.639 62.300 -0.104 0.000 0.844 735 V CB 1.429 33.198 31.823 -0.090 0.000 1.011 735 V HN 0.936 nan 8.190 nan 0.000 0.429 736 D N 5.836 126.202 120.400 -0.057 0.000 2.586 736 D HA 0.412 5.053 4.640 0.001 0.000 0.254 736 D C -2.809 173.486 176.300 -0.008 0.000 1.248 736 D CA -1.202 52.779 54.000 -0.033 0.000 0.843 736 D CB 2.022 42.795 40.800 -0.044 0.000 1.332 736 D HN 0.270 nan 8.370 nan 0.000 0.523 737 P HA 0.241 nan 4.420 nan 0.000 0.274 737 P C -0.557 176.759 177.300 0.028 0.000 1.237 737 P CA -0.613 62.540 63.100 0.088 0.000 0.793 737 P CB 1.050 32.931 31.700 0.303 0.000 0.977 738 C N 4.369 123.652 119.300 -0.027 0.000 2.949 738 C HA 0.636 5.096 4.460 0.001 0.000 0.306 738 C C -0.268 174.600 174.990 -0.203 0.000 1.045 738 C CA -0.404 58.566 59.018 -0.078 0.000 1.414 738 C CB -1.906 25.804 27.740 -0.051 0.000 1.854 738 C HN 0.550 nan 8.230 nan 0.000 0.487 739 I N 2.058 122.475 120.570 -0.255 0.000 3.133 739 I HA 0.765 4.935 4.170 0.001 0.000 0.311 739 I C -2.732 173.058 176.117 -0.545 0.000 1.072 739 I CA -3.050 57.904 61.300 -0.576 0.000 1.015 739 I CB 1.265 38.915 38.000 -0.584 0.000 1.233 739 I HN 0.162 nan 8.210 nan 0.000 0.473 740 P HA 0.058 nan 4.420 nan 0.000 0.268 740 P C 0.595 177.761 177.300 -0.224 0.000 1.205 740 P CA -0.021 62.778 63.100 -0.503 0.000 0.771 740 P CB 0.891 32.243 31.700 -0.581 0.000 0.858 741 S N 1.587 117.233 115.700 -0.090 0.000 2.440 741 S HA -0.201 4.270 4.470 0.001 0.000 0.238 741 S C 1.215 175.921 174.600 0.176 0.000 1.010 741 S CA 1.541 59.763 58.200 0.037 0.000 0.972 741 S CB -0.913 62.294 63.200 0.013 0.000 0.774 741 S HN 0.547 nan 8.310 nan 0.000 0.501 742 D N -0.971 119.510 120.400 0.134 0.000 2.349 742 D HA -0.008 4.632 4.640 0.001 0.000 0.224 742 D C -0.215 176.326 176.300 0.401 0.000 1.029 742 D CA -0.346 53.744 54.000 0.151 0.000 0.879 742 D CB -0.706 40.127 40.800 0.055 0.000 0.906 742 D HN 0.441 nan 8.370 nan 0.000 0.528 743 W N 2.196 123.588 121.300 0.152 0.000 2.303 743 W HA 0.237 4.897 4.660 0.001 0.000 0.318 743 W C -1.359 175.260 176.519 0.167 0.000 1.362 743 W CA -2.345 55.082 57.345 0.137 0.000 1.234 743 W CB 0.597 30.124 29.460 0.112 0.000 1.248 743 W HN -0.035 nan 8.180 nan 0.000 0.546 744 P HA 0.058 nan 4.420 nan 0.000 0.229 744 P C 0.519 177.855 177.300 0.061 0.000 1.160 744 P CA 1.392 64.571 63.100 0.131 0.000 0.777 744 P CB 1.010 32.768 31.700 0.096 0.000 0.814 745 G N -0.400 108.489 108.800 0.149 0.000 2.352 745 G HA2 0.385 4.346 3.960 0.001 0.000 0.283 745 G HA3 0.385 4.346 3.960 0.001 0.000 0.283 745 G C -1.858 173.157 174.900 0.191 0.000 1.308 745 G CA -0.589 44.575 45.100 0.107 0.000 0.892 745 G HN 0.222 nan 8.290 nan 0.000 0.504 746 F N -1.909 118.055 119.950 0.022 0.000 2.807 746 F HA 0.870 5.398 4.527 0.001 0.000 0.316 746 F C -1.324 174.465 175.800 -0.019 0.000 1.162 746 F CA -1.261 56.720 58.000 -0.032 0.000 0.910 746 F CB 1.181 40.197 39.000 0.026 0.000 1.314 746 F HN 0.645 nan 8.300 nan 0.000 0.454 747 E N 0.977 121.318 120.200 0.234 0.000 2.293 747 E HA 0.738 5.089 4.350 0.001 0.000 0.270 747 E C -1.757 174.948 176.600 0.176 0.000 0.879 747 E CA -1.247 55.212 56.400 0.097 0.000 0.756 747 E CB 3.250 32.967 29.700 0.028 0.000 1.208 747 E HN 0.539 nan 8.360 nan 0.000 0.428 748 V N 1.622 121.576 119.914 0.066 0.000 2.760 748 V HA 0.368 4.488 4.120 0.001 0.000 0.309 748 V C -0.706 175.299 176.094 -0.147 0.000 1.077 748 V CA -0.708 61.543 62.300 -0.083 0.000 0.910 748 V CB 2.456 34.184 31.823 -0.158 0.000 1.008 748 V HN 0.713 nan 8.190 nan 0.000 0.424 749 T N 4.489 118.918 114.554 -0.208 0.000 2.756 749 T HA 0.578 4.929 4.350 0.001 0.000 0.290 749 T C -0.385 174.148 174.700 -0.279 0.000 0.985 749 T CA -0.415 61.595 62.100 -0.149 0.000 0.955 749 T CB 0.857 69.718 68.868 -0.011 0.000 0.930 749 T HN 0.537 nan 8.240 nan 0.000 0.451 750 R N 2.784 123.161 120.500 -0.205 0.000 2.476 750 R HA 0.461 4.801 4.340 0.001 0.000 0.305 750 R C -1.014 175.360 176.300 0.123 0.000 0.965 750 R CA -0.745 55.297 56.100 -0.097 0.000 0.867 750 R CB 1.129 31.356 30.300 -0.121 0.000 1.176 750 R HN 0.436 nan 8.270 nan 0.000 0.447 751 Q N 3.722 123.638 119.800 0.194 0.000 2.303 751 Q HA 0.444 4.784 4.340 0.001 0.000 0.257 751 Q C -1.840 174.398 176.000 0.397 0.000 0.941 751 Q CA -0.290 55.654 55.803 0.235 0.000 0.931 751 Q CB 0.843 29.685 28.738 0.173 0.000 1.215 751 Q HN 0.631 nan 8.270 nan 0.000 0.437 752 W N 5.506 126.937 121.300 0.218 0.000 2.968 752 W HA 0.442 5.103 4.660 0.001 0.000 0.337 752 W C -0.697 175.917 176.519 0.159 0.000 1.060 752 W CA -0.894 56.558 57.345 0.179 0.000 1.240 752 W CB 0.952 30.487 29.460 0.125 0.000 1.370 752 W HN 0.827 nan 8.180 nan 0.000 0.459 753 R N 4.535 124.898 120.500 -0.227 0.000 3.333 753 R HA -0.179 4.161 4.340 0.001 0.000 0.256 753 R C 1.135 177.318 176.300 -0.195 0.000 1.010 753 R CA 1.421 57.303 56.100 -0.364 0.000 0.680 753 R CB -1.573 28.259 30.300 -0.781 0.000 1.102 753 R HN 1.508 nan 8.270 nan 0.000 0.440 754 G N -2.134 106.618 108.800 -0.080 0.000 2.184 754 G HA2 -0.306 3.654 3.960 0.001 0.000 0.264 754 G HA3 -0.306 3.654 3.960 0.001 0.000 0.264 754 G C 0.146 175.006 174.900 -0.066 0.000 0.975 754 G CA 0.368 45.429 45.100 -0.064 0.000 0.642 754 G HN 0.963 nan 8.290 nan 0.000 0.536 755 A N -0.686 122.098 122.820 -0.060 0.000 2.356 755 A HA 0.895 5.216 4.320 0.001 0.000 0.323 755 A C 0.067 177.528 177.584 -0.204 0.000 1.119 755 A CA 0.429 52.371 52.037 -0.158 0.000 0.790 755 A CB 1.424 20.291 19.000 -0.223 0.000 1.273 755 A HN 0.694 nan 8.150 nan 0.000 0.452 756 T N 1.220 115.551 114.554 -0.371 0.000 2.824 756 T HA 0.561 4.911 4.350 0.001 0.000 0.280 756 T C -1.412 172.860 174.700 -0.715 0.000 0.995 756 T CA 0.256 62.121 62.100 -0.392 0.000 1.009 756 T CB 0.387 69.067 68.868 -0.312 0.000 0.955 756 T HN 0.367 nan 8.240 nan 0.000 0.452 757 Y N 2.106 122.245 120.300 -0.267 0.000 2.338 757 Y HA 0.282 4.833 4.550 0.001 0.000 0.328 757 Y C 0.577 176.276 175.900 -0.336 0.000 0.965 757 Y CA -1.008 56.966 58.100 -0.210 0.000 1.208 757 Y CB 0.801 39.219 38.460 -0.070 0.000 1.132 757 Y HN 0.628 nan 8.280 nan 0.000 0.469 758 H N 5.451 124.550 119.070 0.048 0.000 2.872 758 H HA 0.329 4.885 4.556 0.001 0.000 0.273 758 H C -0.280 175.049 175.328 0.001 0.000 1.205 758 H CA -0.142 55.908 56.048 0.004 0.000 1.342 758 H CB 0.394 30.145 29.762 -0.018 0.000 1.469 758 H HN 0.612 nan 8.280 nan 0.000 0.487 759 I N 2.671 123.266 120.570 0.042 0.000 2.342 759 I HA 0.123 4.294 4.170 0.001 0.000 0.291 759 I C 0.510 176.590 176.117 -0.061 0.000 1.010 759 I CA -0.147 61.145 61.300 -0.014 0.000 1.308 759 I CB 1.120 39.091 38.000 -0.048 0.000 1.400 759 I HN 0.361 nan 8.210 nan 0.000 0.488 760 Q N 6.114 125.855 119.800 -0.100 0.000 2.325 760 Q HA 0.516 4.857 4.340 0.001 0.000 0.270 760 Q C -1.807 174.042 176.000 -0.251 0.000 1.020 760 Q CA -0.623 55.087 55.803 -0.155 0.000 0.785 760 Q CB 2.203 30.886 28.738 -0.092 0.000 1.259 760 Q HN 0.528 nan 8.270 nan 0.000 0.452 761 V N 4.159 123.805 119.914 -0.447 0.000 2.398 761 V HA 0.374 4.494 4.120 0.001 0.000 0.286 761 V C -0.605 175.293 176.094 -0.326 0.000 1.026 761 V CA -0.522 61.473 62.300 -0.508 0.000 0.868 761 V CB 1.664 32.845 31.823 -1.070 0.000 0.982 761 V HN 0.817 nan 8.190 nan 0.000 0.443 762 E N 3.349 123.429 120.200 -0.199 0.000 2.183 762 E HA 0.400 4.750 4.350 0.001 0.000 0.271 762 E C -0.484 176.050 176.600 -0.111 0.000 0.919 762 E CA -0.483 55.838 56.400 -0.132 0.000 0.781 762 E CB 1.547 31.183 29.700 -0.106 0.000 1.140 762 E HN 0.580 nan 8.360 nan 0.000 0.402 763 N N 3.426 122.059 118.700 -0.111 0.000 2.757 763 N HA 0.175 4.916 4.740 0.001 0.000 0.296 763 N C -2.031 173.297 175.510 -0.303 0.000 1.874 763 N CA -2.001 50.966 53.050 -0.139 0.000 0.885 763 N CB 0.706 39.163 38.487 -0.049 0.000 1.242 763 N HN 0.270 nan 8.380 nan 0.000 0.488 764 P HA -0.067 nan 4.420 nan 0.000 0.218 764 P C -0.036 177.133 177.300 -0.218 0.000 1.149 764 P CA 1.195 64.161 63.100 -0.223 0.000 0.817 764 P CB 0.484 32.119 31.700 -0.109 0.000 0.785 765 D N -1.913 118.401 120.400 -0.142 0.000 2.340 765 D HA -0.030 4.611 4.640 0.001 0.000 0.220 765 D C 0.107 176.426 176.300 0.032 0.000 1.039 765 D CA 0.162 54.139 54.000 -0.039 0.000 0.866 765 D CB -0.600 40.190 40.800 -0.017 0.000 0.913 765 D HN 0.285 nan 8.370 nan 0.000 0.523 766 H N -0.238 118.843 119.070 0.018 0.000 2.672 766 H HA -0.137 4.419 4.556 0.001 0.000 0.325 766 H C 0.399 175.732 175.328 0.008 0.000 1.158 766 H CA 0.488 56.551 56.048 0.024 0.000 1.134 766 H CB -2.029 27.748 29.762 0.025 0.000 1.553 766 H HN 0.107 nan 8.280 nan 0.000 0.419 767 V N -3.107 116.845 119.914 0.065 0.000 3.406 767 V HA 0.621 4.741 4.120 0.001 0.000 0.305 767 V C 1.163 177.266 176.094 0.016 0.000 1.136 767 V CA 0.110 62.430 62.300 0.032 0.000 1.011 767 V CB 2.003 33.831 31.823 0.008 0.000 1.221 767 V HN 0.232 nan 8.190 nan 0.000 0.454 768 S N -0.675 115.016 115.700 -0.014 0.000 2.502 768 S HA 0.323 4.794 4.470 0.001 0.000 0.228 768 S C 0.542 175.117 174.600 -0.041 0.000 1.061 768 S CA 0.463 58.633 58.200 -0.049 0.000 0.935 768 S CB -0.160 62.995 63.200 -0.075 0.000 0.809 768 S HN 0.847 nan 8.310 nan 0.000 0.510 769 K N -0.747 119.638 120.400 -0.024 0.000 2.532 769 K HA 0.529 4.850 4.320 0.001 0.000 0.265 769 K C -1.612 174.982 176.600 -0.009 0.000 0.948 769 K CA -0.090 56.188 56.287 -0.014 0.000 0.842 769 K CB 1.703 34.194 32.500 -0.016 0.000 1.392 769 K HN 0.326 nan 8.250 nan 0.000 0.436 770 G N 1.245 110.041 108.800 -0.007 0.000 3.305 770 G HA2 0.002 3.963 3.960 0.001 0.000 0.649 770 G HA3 0.002 3.963 3.960 0.001 0.000 0.649 770 G C -1.572 173.320 174.900 -0.014 0.000 1.255 770 G CA -0.778 44.317 45.100 -0.009 0.000 1.137 770 G HN 0.362 nan 8.290 nan 0.000 0.535 771 V N 3.867 123.771 119.914 -0.016 0.000 2.406 771 V HA 0.356 4.476 4.120 0.001 0.000 0.272 771 V C 1.632 177.714 176.094 -0.021 0.000 1.043 771 V CA 0.344 62.630 62.300 -0.024 0.000 0.915 771 V CB 1.493 33.300 31.823 -0.027 0.000 0.988 771 V HN 0.901 nan 8.190 nan 0.000 0.466 772 K N 3.380 123.764 120.400 -0.026 0.000 2.067 772 K HA 0.056 4.377 4.320 0.001 0.000 0.203 772 K C 0.686 177.274 176.600 -0.021 0.000 1.048 772 K CA 1.150 57.424 56.287 -0.022 0.000 0.954 772 K CB 0.336 32.821 32.500 -0.025 0.000 0.737 772 K HN 0.818 nan 8.250 nan 0.000 0.444 773 S N -0.731 114.953 115.700 -0.027 0.000 2.565 773 S HA 0.528 4.998 4.470 0.001 0.000 0.269 773 S C -0.889 173.693 174.600 -0.030 0.000 1.153 773 S CA -1.119 57.067 58.200 -0.024 0.000 0.835 773 S CB 1.501 64.688 63.200 -0.021 0.000 1.122 773 S HN 0.099 nan 8.310 nan 0.000 0.462 774 I N 1.882 122.438 120.570 -0.023 0.000 2.534 774 I HA 0.486 4.656 4.170 0.001 0.000 0.288 774 I C -0.655 175.456 176.117 -0.011 0.000 1.077 774 I CA -0.532 60.753 61.300 -0.024 0.000 1.051 774 I CB 2.664 40.649 38.000 -0.026 0.000 1.234 774 I HN 0.956 nan 8.210 nan 0.000 0.425 775 T N 3.776 118.325 114.554 -0.008 0.000 2.829 775 T HA 0.674 5.024 4.350 0.001 0.000 0.280 775 T C -0.918 173.793 174.700 0.018 0.000 0.999 775 T CA -0.719 61.383 62.100 0.003 0.000 0.983 775 T CB 2.046 70.913 68.868 -0.002 0.000 0.968 775 T HN 0.330 nan 8.240 nan 0.000 0.446 776 L N 3.798 125.040 121.223 0.031 0.000 2.298 776 L HA 0.531 4.871 4.340 0.001 0.000 0.284 776 L C -0.023 176.874 176.870 0.044 0.000 1.013 776 L CA 0.227 55.100 54.840 0.054 0.000 0.824 776 L CB 0.200 42.303 42.059 0.072 0.000 1.221 776 L HN 0.857 nan 8.230 nan 0.000 0.418 777 N N 4.485 123.211 118.700 0.043 0.000 2.725 777 N HA -0.217 4.523 4.740 0.001 0.000 0.251 777 N C 1.007 176.528 175.510 0.018 0.000 1.031 777 N CA 1.217 54.284 53.050 0.029 0.000 0.720 777 N CB -1.186 37.318 38.487 0.029 0.000 0.930 777 N HN 1.245 nan 8.380 nan 0.000 0.543 778 G N -2.078 106.730 108.800 0.013 0.000 2.245 778 G HA2 -0.202 3.758 3.960 0.001 0.000 0.264 778 G HA3 -0.202 3.758 3.960 0.001 0.000 0.264 778 G C 0.184 175.088 174.900 0.007 0.000 0.985 778 G CA 0.893 45.996 45.100 0.006 0.000 0.625 778 G HN 1.263 nan 8.290 nan 0.000 0.536 779 A N 1.592 124.420 122.820 0.013 0.000 2.276 779 A HA 0.783 5.104 4.320 0.001 0.000 0.316 779 A C -1.726 175.866 177.584 0.013 0.000 1.229 779 A CA -1.275 50.770 52.037 0.012 0.000 0.851 779 A CB 1.374 20.384 19.000 0.017 0.000 1.165 779 A HN 0.216 nan 8.150 nan 0.000 0.513 780 P HA 0.298 nan 4.420 nan 0.000 0.268 780 P C -0.517 176.789 177.300 0.010 0.000 1.205 780 P CA 0.464 63.568 63.100 0.006 0.000 0.771 780 P CB 0.629 32.330 31.700 0.002 0.000 0.858 781 I N -0.853 119.722 120.570 0.009 0.000 3.074 781 I HA 0.488 4.658 4.170 0.001 0.000 0.310 781 I C -1.022 175.100 176.117 0.007 0.000 1.153 781 I CA -1.484 59.824 61.300 0.013 0.000 0.993 781 I CB 2.493 40.506 38.000 0.021 0.000 1.237 781 I HN 0.179 nan 8.210 nan 0.000 0.443 782 Q N 2.695 122.502 119.800 0.010 0.000 2.357 782 Q HA 0.585 4.925 4.340 0.001 0.000 0.266 782 Q C 0.142 176.146 176.000 0.006 0.000 1.021 782 Q CA -0.178 55.629 55.803 0.006 0.000 0.784 782 Q CB 1.848 30.591 28.738 0.010 0.000 1.243 782 Q HN 1.151 nan 8.270 nan 0.000 0.465 783 G N 2.242 111.040 108.800 -0.004 0.000 2.488 783 G HA2 -0.234 3.726 3.960 0.001 0.000 0.237 783 G HA3 -0.234 3.726 3.960 0.001 0.000 0.237 783 G C -0.525 174.362 174.900 -0.021 0.000 1.209 783 G CA -0.933 44.161 45.100 -0.010 0.000 0.929 783 G HN 0.520 nan 8.290 nan 0.000 0.578 784 R N -0.024 120.462 120.500 -0.023 0.000 2.638 784 R HA 0.158 4.499 4.340 0.001 0.000 0.268 784 R C 0.546 176.837 176.300 -0.016 0.000 1.006 784 R CA 0.246 56.321 56.100 -0.041 0.000 1.088 784 R CB -0.265 30.020 30.300 -0.025 0.000 0.950 784 R HN 0.477 nan 8.270 nan 0.000 0.419 785 I N 5.426 125.970 120.570 -0.044 0.000 2.312 785 I HA 0.149 4.319 4.170 0.001 0.000 0.291 785 I C -1.876 174.306 176.117 0.108 0.000 1.031 785 I CA -2.144 59.165 61.300 0.015 0.000 1.293 785 I CB 1.242 39.214 38.000 -0.046 0.000 1.403 785 I HN 0.157 nan 8.210 nan 0.000 0.484 786 P HA 0.056 nan 4.420 nan 0.000 0.268 786 P C -2.354 175.099 177.300 0.255 0.000 1.205 786 P CA -0.940 62.269 63.100 0.181 0.000 0.771 786 P CB -0.171 31.603 31.700 0.125 0.000 0.858 787 P HA -0.032 nan 4.420 nan 0.000 0.263 787 P C -0.496 176.859 177.300 0.092 0.000 1.195 787 P CA 0.339 63.482 63.100 0.072 0.000 0.762 787 P CB 0.526 32.042 31.700 -0.305 0.000 0.799 788 Q N 1.751 121.659 119.800 0.181 0.000 2.237 788 Q HA 0.487 4.828 4.340 0.001 0.000 0.219 788 Q C 0.453 176.441 176.000 -0.020 0.000 0.999 788 Q CA -0.720 55.127 55.803 0.073 0.000 0.959 788 Q CB 0.752 29.522 28.738 0.053 0.000 1.173 788 Q HN 0.549 nan 8.270 nan 0.000 0.527 789 A N 1.472 124.274 122.820 -0.030 0.000 2.507 789 A HA -0.002 4.319 4.320 0.001 0.000 0.235 789 A C 0.224 177.767 177.584 -0.068 0.000 1.070 789 A CA -0.193 51.817 52.037 -0.045 0.000 0.768 789 A CB 0.073 19.053 19.000 -0.033 0.000 1.011 789 A HN 0.509 nan 8.150 nan 0.000 0.502 790 Q N 0.098 119.859 119.800 -0.065 0.000 2.286 790 Q HA 0.261 4.601 4.340 0.001 0.000 0.290 790 Q C 1.331 177.294 176.000 -0.061 0.000 1.049 790 Q CA 1.567 57.330 55.803 -0.068 0.000 0.923 790 Q CB 0.445 29.149 28.738 -0.056 0.000 1.183 790 Q HN 1.726 nan 8.270 nan 0.000 0.383 791 G N 2.086 110.846 108.800 -0.066 0.000 2.184 791 G HA2 -0.325 3.636 3.960 0.001 0.000 0.264 791 G HA3 -0.325 3.636 3.960 0.001 0.000 0.264 791 G C 0.304 175.165 174.900 -0.064 0.000 0.975 791 G CA 0.582 45.648 45.100 -0.056 0.000 0.642 791 G HN 0.791 nan 8.290 nan 0.000 0.536 792 S N 0.034 115.680 115.700 -0.090 0.000 2.592 792 S HA 0.555 5.026 4.470 0.001 0.000 0.271 792 S C -0.497 174.019 174.600 -0.139 0.000 1.326 792 S CA -0.309 57.833 58.200 -0.097 0.000 1.024 792 S CB 2.007 65.148 63.200 -0.099 0.000 0.921 792 S HN 0.227 nan 8.310 nan 0.000 0.527 793 D N 2.099 122.449 120.400 -0.084 0.000 2.425 793 D HA 0.338 4.978 4.640 0.001 0.000 0.240 793 D C -0.817 175.468 176.300 -0.024 0.000 1.080 793 D CA -0.431 53.548 54.000 -0.034 0.000 0.836 793 D CB 1.196 42.053 40.800 0.095 0.000 1.125 793 D HN 0.558 nan 8.370 nan 0.000 0.525 794 N N 2.088 120.733 118.700 -0.091 0.000 2.321 794 N HA 0.165 4.905 4.740 0.001 0.000 0.299 794 N C -0.482 175.083 175.510 0.093 0.000 1.048 794 N CA -0.637 52.398 53.050 -0.024 0.000 0.836 794 N CB 2.417 40.848 38.487 -0.093 0.000 1.269 794 N HN 0.267 nan 8.380 nan 0.000 0.486 795 Q N 1.462 121.318 119.800 0.093 0.000 2.296 795 Q HA 0.371 4.711 4.340 0.001 0.000 0.257 795 Q C -0.702 175.346 176.000 0.080 0.000 0.942 795 Q CA -0.415 55.446 55.803 0.096 0.000 0.939 795 Q CB 1.863 30.629 28.738 0.047 0.000 1.198 795 Q HN 0.336 nan 8.270 nan 0.000 0.429 796 V N 3.607 123.569 119.914 0.079 0.000 2.407 796 V HA 0.362 4.483 4.120 0.001 0.000 0.291 796 V C -0.209 175.884 176.094 -0.001 0.000 1.018 796 V CA -0.747 61.583 62.300 0.049 0.000 0.842 796 V CB 1.951 33.814 31.823 0.067 0.000 0.996 796 V HN 0.425 nan 8.190 nan 0.000 0.426 797 V N 5.924 125.828 119.914 -0.017 0.000 2.347 797 V HA 0.474 4.595 4.120 0.001 0.000 0.280 797 V C -0.149 175.909 176.094 -0.060 0.000 1.021 797 V CA -0.534 61.737 62.300 -0.047 0.000 0.847 797 V CB 1.819 33.620 31.823 -0.038 0.000 0.990 797 V HN 0.602 nan 8.190 nan 0.000 0.444 798 V N 5.922 125.778 119.914 -0.097 0.000 2.384 798 V HA 0.464 4.585 4.120 0.001 0.000 0.287 798 V C -0.184 175.844 176.094 -0.109 0.000 1.020 798 V CA -0.584 61.656 62.300 -0.099 0.000 0.850 798 V CB 1.932 33.681 31.823 -0.123 0.000 0.987 798 V HN 0.596 nan 8.190 nan 0.000 0.436 799 V N 6.522 126.389 119.914 -0.079 0.000 2.357 799 V HA 0.442 4.562 4.120 0.001 0.000 0.284 799 V C 0.059 176.116 176.094 -0.062 0.000 1.018 799 V CA -0.486 61.769 62.300 -0.074 0.000 0.841 799 V CB 1.519 33.308 31.823 -0.058 0.000 0.991 799 V HN 0.635 nan 8.190 nan 0.000 0.437 800 L N 4.406 125.590 121.223 -0.064 0.000 2.418 800 L HA 0.899 5.240 4.340 0.001 0.000 0.265 800 L C 0.839 177.685 176.870 -0.040 0.000 1.143 800 L CA 0.174 54.987 54.840 -0.044 0.000 0.809 800 L CB 1.207 43.246 42.059 -0.033 0.000 1.124 800 L HN 0.834 nan 8.230 nan 0.000 0.456 801 G N 0.000 108.784 108.800 -0.027 0.000 5.446 801 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 801 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 801 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 801 G HN 0.000 nan 8.290 nan 0.000 0.925