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 3fhn_1_D DATA FIRST_RESID 5 DATA SEQUENCE DDLLNINDRI KQVQNERNEL ASKLQNLKQS LASNDTEVAL SEVIAQDIIE DATA SEQUENCE VGASVEGLEQ LRAKYGDLQI LNKLEKVAVQ QTQXQAGVDK LDSFERQLDE DATA SEQUENCE LAEQPPDQFT LDDVKALHSK LTSVFATVPQ INNIDSQYAA YNKLKSKVTG DATA SEQUENCE KYNDVIIQRL ATNWSNTFDQ KLLEAQWDTQ KFASTSVGLV KCLRENSTKL DATA SEQUENCE YQLSLLYLPL EEXXXXXXXX XXXXXXXXXX EPVLWNFKSL ANNFNVRFTY DATA SEQUENCE HFHATSSSSK IETYFQFLND YLAENLYKCI NIFHDDCNGL TKPVIHEQFI DATA SEQUENCE NYVLQPIRDK VRSTLFQNDL KTLIVLISQI LATDKNLLNS FHYHGLGLVS DATA SEQUENCE LISDEVWEKW INYEVEXANR QFINITKNPE DFPKSSQNFV KLINKIYDYL DATA SEQUENCE EPFYDLDFDL LVRYKLXTCS LIFXNLTSSY LDYILTVDSL NETRTKEQEL DATA SEQUENCE YQTXAKLQHV NFVYRKIKSL SSNFIFIQLT DIVNSTESKK YNSLFQNVEN DATA SEQUENCE DYEKAXSTDX QNSIVHRIQK LLKETLRNYF KISTWSTLEX SXXXXXXPSS DATA SEQUENCE VPSAELVNSI NVLRRLINKL DSXDIPLAIS LKVKNELLNV IVNYFTESIL DATA SEQUENCE KLNKFNQNGL NQFLHDFKSL SSILSLPSHA TNYKCXSLHE LVKILKLKYD DATA SEQUENCE PNNQQFLNPE YIKTGNFTSL KEAYSIKYLK DTKIQDALYR IIYGNIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.301 176.300 0.002 0.000 2.045 5 D CA 0.000 54.001 54.000 0.002 0.000 0.868 5 D CB 0.000 40.801 40.800 0.002 0.000 0.688 6 D N 1.470 121.872 120.400 0.002 0.000 2.347 6 D HA 0.029 4.670 4.640 0.002 0.000 0.215 6 D C 2.247 178.549 176.300 0.002 0.000 0.976 6 D CA 0.378 54.380 54.000 0.002 0.000 0.884 6 D CB 0.306 41.108 40.800 0.002 0.000 0.915 6 D HN 0.487 nan 8.370 nan 0.000 0.526 7 L N -1.411 119.814 121.223 0.002 0.000 2.465 7 L HA 0.053 4.395 4.340 0.002 0.000 0.224 7 L C 2.106 178.977 176.870 0.002 0.000 1.145 7 L CA 0.464 55.305 54.840 0.002 0.000 0.834 7 L CB -0.461 41.599 42.059 0.002 0.000 0.944 7 L HN -0.100 nan 8.230 nan 0.000 0.451 8 L N 0.602 121.827 121.223 0.002 0.000 2.102 8 L HA 0.025 4.366 4.340 0.002 0.000 0.202 8 L C 2.409 179.280 176.870 0.002 0.000 1.076 8 L CA 1.468 56.309 54.840 0.002 0.000 0.761 8 L CB -0.629 41.431 42.059 0.002 0.000 0.921 8 L HN 0.240 nan 8.230 nan 0.000 0.444 9 N N 0.008 118.709 118.700 0.002 0.000 2.106 9 N HA -0.156 4.585 4.740 0.002 0.000 0.188 9 N C 2.001 177.513 175.510 0.003 0.000 1.029 9 N CA 1.846 54.897 53.050 0.003 0.000 0.848 9 N CB -0.263 38.226 38.487 0.003 0.000 1.007 9 N HN 0.364 nan 8.380 nan 0.000 0.423 10 I N 1.670 122.241 120.570 0.002 0.000 2.143 10 I HA -0.325 3.847 4.170 0.002 0.000 0.245 10 I C 2.186 178.304 176.117 0.002 0.000 1.068 10 I CA 1.176 62.478 61.300 0.002 0.000 1.326 10 I CB -0.317 37.685 38.000 0.002 0.000 1.028 10 I HN 0.187 nan 8.210 nan 0.000 0.412 11 N N 0.237 118.938 118.700 0.002 0.000 2.396 11 N HA -0.186 4.555 4.740 0.002 0.000 0.180 11 N C 1.503 177.014 175.510 0.002 0.000 1.028 11 N CA 1.124 54.176 53.050 0.002 0.000 0.893 11 N CB -0.118 38.370 38.487 0.002 0.000 0.967 11 N HN 0.373 nan 8.380 nan 0.000 0.440 12 D N 0.524 120.926 120.400 0.002 0.000 2.162 12 D HA 0.004 4.646 4.640 0.002 0.000 0.205 12 D C 1.647 177.949 176.300 0.003 0.000 0.964 12 D CA 0.446 54.447 54.000 0.002 0.000 0.847 12 D CB 0.333 41.135 40.800 0.003 0.000 0.988 12 D HN 0.241 nan 8.370 nan 0.000 0.480 13 R N 0.279 120.781 120.500 0.003 0.000 2.152 13 R HA -0.045 4.297 4.340 0.002 0.000 0.232 13 R C 2.514 178.816 176.300 0.003 0.000 1.117 13 R CA 0.567 56.668 56.100 0.003 0.000 0.981 13 R CB -0.068 30.234 30.300 0.003 0.000 0.870 13 R HN 0.302 nan 8.270 nan 0.000 0.451 14 I N 1.049 121.621 120.570 0.002 0.000 2.179 14 I HA -0.295 3.876 4.170 0.002 0.000 0.242 14 I C 2.167 178.286 176.117 0.002 0.000 1.088 14 I CA 1.504 62.805 61.300 0.002 0.000 1.357 14 I CB -0.245 37.757 38.000 0.002 0.000 1.051 14 I HN 0.130 nan 8.210 nan 0.000 0.409 15 K N 0.406 120.807 120.400 0.002 0.000 2.009 15 K HA -0.280 4.042 4.320 0.002 0.000 0.210 15 K C 2.163 178.765 176.600 0.002 0.000 1.049 15 K CA 1.699 57.987 56.287 0.002 0.000 0.929 15 K CB -0.307 32.194 32.500 0.002 0.000 0.714 15 K HN 0.312 nan 8.250 nan 0.000 0.440 16 Q N 0.894 120.696 119.800 0.003 0.000 2.112 16 Q HA -0.200 4.142 4.340 0.002 0.000 0.206 16 Q C 1.968 177.970 176.000 0.003 0.000 0.987 16 Q CA 1.676 57.480 55.803 0.003 0.000 0.858 16 Q CB 0.035 28.775 28.738 0.003 0.000 0.905 16 Q HN 0.119 nan 8.270 nan 0.000 0.420 17 V N 0.625 120.541 119.914 0.003 0.000 2.379 17 V HA -0.237 3.885 4.120 0.002 0.000 0.245 17 V C 2.169 178.264 176.094 0.002 0.000 1.044 17 V CA 1.922 64.224 62.300 0.003 0.000 1.036 17 V CB -0.406 31.419 31.823 0.003 0.000 0.664 17 V HN 0.444 nan 8.190 nan 0.000 0.453 18 Q N -0.314 119.487 119.800 0.002 0.000 2.170 18 Q HA -0.192 4.149 4.340 0.002 0.000 0.203 18 Q C 2.081 178.082 176.000 0.002 0.000 0.976 18 Q CA 1.486 57.291 55.803 0.002 0.000 0.858 18 Q CB -0.174 28.566 28.738 0.002 0.000 0.907 18 Q HN 0.610 nan 8.270 nan 0.000 0.433 19 N N 0.743 119.445 118.700 0.002 0.000 2.132 19 N HA -0.114 4.628 4.740 0.002 0.000 0.187 19 N C 1.521 177.032 175.510 0.002 0.000 1.038 19 N CA 1.041 54.093 53.050 0.002 0.000 0.846 19 N CB -0.167 38.322 38.487 0.002 0.000 1.012 19 N HN 0.258 nan 8.380 nan 0.000 0.429 20 E N 0.802 121.003 120.200 0.002 0.000 2.114 20 E HA -0.195 4.156 4.350 0.002 0.000 0.199 20 E C 2.093 178.694 176.600 0.002 0.000 1.008 20 E CA 0.994 57.395 56.400 0.003 0.000 0.810 20 E CB -0.075 29.627 29.700 0.003 0.000 0.739 20 E HN 0.272 nan 8.360 nan 0.000 0.456 21 R N 0.404 120.905 120.500 0.002 0.000 2.091 21 R HA -0.151 4.190 4.340 0.002 0.000 0.238 21 R C 2.070 178.371 176.300 0.002 0.000 1.136 21 R CA 1.590 57.691 56.100 0.002 0.000 0.959 21 R CB -0.142 30.159 30.300 0.002 0.000 0.856 21 R HN 0.100 nan 8.270 nan 0.000 0.437 22 N N 0.215 118.916 118.700 0.001 0.000 2.171 22 N HA -0.118 4.624 4.740 0.002 0.000 0.184 22 N C 1.416 176.927 175.510 0.001 0.000 1.021 22 N CA 1.174 54.224 53.050 0.001 0.000 0.854 22 N CB 0.018 38.506 38.487 0.001 0.000 0.994 22 N HN 0.258 nan 8.380 nan 0.000 0.426 23 E N 0.015 120.216 120.200 0.001 0.000 2.031 23 E HA -0.161 4.191 4.350 0.002 0.000 0.193 23 E C 1.741 178.341 176.600 0.001 0.000 0.994 23 E CA 0.715 57.116 56.400 0.001 0.000 0.800 23 E CB -0.194 29.507 29.700 0.002 0.000 0.752 23 E HN 0.140 nan 8.360 nan 0.000 0.447 24 L N 1.060 122.284 121.223 0.001 0.000 2.129 24 L HA -0.196 4.146 4.340 0.002 0.000 0.212 24 L C 2.096 178.966 176.870 0.000 0.000 1.087 24 L CA 1.996 56.837 54.840 0.001 0.000 0.757 24 L CB -0.686 41.374 42.059 0.002 0.000 0.896 24 L HN 0.072 nan 8.230 nan 0.000 0.434 25 A N -0.844 121.976 122.820 0.000 0.000 1.858 25 A HA -0.236 4.086 4.320 0.002 0.000 0.216 25 A C 2.465 180.048 177.584 -0.001 0.000 1.190 25 A CA 2.466 54.502 52.037 -0.000 0.000 0.617 25 A CB -1.207 17.792 19.000 -0.000 0.000 0.827 25 A HN 0.655 nan 8.150 nan 0.000 0.443 26 S N -0.091 115.608 115.700 -0.001 0.000 2.368 26 S HA -0.174 4.298 4.470 0.002 0.000 0.224 26 S C 1.926 176.524 174.600 -0.002 0.000 1.029 26 S CA 1.471 59.670 58.200 -0.002 0.000 0.988 26 S CB -0.394 62.806 63.200 -0.001 0.000 0.838 26 S HN 0.613 nan 8.310 nan 0.000 0.462 27 K N 0.467 120.866 120.400 -0.001 0.000 2.103 27 K HA -0.067 4.254 4.320 0.002 0.000 0.207 27 K C 2.068 178.666 176.600 -0.003 0.000 1.048 27 K CA 1.189 57.475 56.287 -0.001 0.000 0.930 27 K CB -0.300 32.200 32.500 -0.000 0.000 0.716 27 K HN 0.286 nan 8.250 nan 0.000 0.444 28 L N 1.454 122.675 121.223 -0.003 0.000 2.093 28 L HA -0.136 4.206 4.340 0.002 0.000 0.208 28 L C 2.348 179.214 176.870 -0.006 0.000 1.085 28 L CA 1.730 56.568 54.840 -0.004 0.000 0.755 28 L CB -0.932 41.125 42.059 -0.003 0.000 0.904 28 L HN 0.287 nan 8.230 nan 0.000 0.435 29 Q N -0.127 119.670 119.800 -0.005 0.000 1.993 29 Q HA -0.184 4.158 4.340 0.002 0.000 0.202 29 Q C 2.011 178.007 176.000 -0.007 0.000 0.984 29 Q CA 2.025 57.824 55.803 -0.006 0.000 0.837 29 Q CB -0.281 28.454 28.738 -0.005 0.000 0.902 29 Q HN 0.498 nan 8.270 nan 0.000 0.423 30 N N 0.089 118.785 118.700 -0.006 0.000 2.104 30 N HA -0.173 4.569 4.740 0.002 0.000 0.190 30 N C 1.648 177.153 175.510 -0.008 0.000 1.024 30 N CA 1.266 54.312 53.050 -0.006 0.000 0.853 30 N CB -0.524 37.960 38.487 -0.005 0.000 1.008 30 N HN 0.255 nan 8.380 nan 0.000 0.424 31 L N 1.758 122.977 121.223 -0.008 0.000 2.079 31 L HA -0.118 4.223 4.340 0.002 0.000 0.210 31 L C 1.854 178.716 176.870 -0.013 0.000 1.081 31 L CA 1.732 56.567 54.840 -0.009 0.000 0.752 31 L CB -0.386 41.668 42.059 -0.008 0.000 0.896 31 L HN 0.026 nan 8.230 nan 0.000 0.433 32 K N -1.191 119.201 120.400 -0.014 0.000 2.155 32 K HA -0.107 4.215 4.320 0.002 0.000 0.203 32 K C 2.011 178.601 176.600 -0.018 0.000 1.052 32 K CA 1.309 57.585 56.287 -0.018 0.000 0.948 32 K CB -0.035 32.454 32.500 -0.018 0.000 0.728 32 K HN 0.539 nan 8.250 nan 0.000 0.448 33 Q N -0.299 119.492 119.800 -0.014 0.000 2.269 33 Q HA -0.005 4.336 4.340 0.002 0.000 0.201 33 Q C 1.970 177.962 176.000 -0.013 0.000 0.946 33 Q CA 0.920 56.716 55.803 -0.013 0.000 0.877 33 Q CB 0.296 29.028 28.738 -0.010 0.000 0.963 33 Q HN 0.157 nan 8.270 nan 0.000 0.472 34 S N 1.297 116.989 115.700 -0.012 0.000 2.371 34 S HA -0.054 4.417 4.470 0.002 0.000 0.224 34 S C 1.987 176.579 174.600 -0.014 0.000 1.029 34 S CA 0.725 58.918 58.200 -0.011 0.000 0.978 34 S CB -0.159 63.035 63.200 -0.010 0.000 0.833 34 S HN 0.250 nan 8.310 nan 0.000 0.466 35 L N 1.296 122.509 121.223 -0.017 0.000 2.042 35 L HA -0.175 4.167 4.340 0.002 0.000 0.210 35 L C 2.845 179.701 176.870 -0.023 0.000 1.076 35 L CA 1.260 56.087 54.840 -0.022 0.000 0.749 35 L CB -0.739 41.303 42.059 -0.028 0.000 0.893 35 L HN 0.343 nan 8.230 nan 0.000 0.432 36 A N -0.569 122.238 122.820 -0.022 0.000 1.883 36 A HA -0.239 4.082 4.320 0.002 0.000 0.217 36 A C 2.486 180.060 177.584 -0.017 0.000 1.186 36 A CA 2.269 54.293 52.037 -0.022 0.000 0.624 36 A CB -0.726 18.262 19.000 -0.019 0.000 0.822 36 A HN 0.418 nan 8.150 nan 0.000 0.444 37 S N 0.679 116.370 115.700 -0.015 0.000 2.353 37 S HA -0.194 4.277 4.470 0.002 0.000 0.222 37 S C 1.616 176.208 174.600 -0.012 0.000 1.035 37 S CA 1.848 60.041 58.200 -0.012 0.000 1.025 37 S CB -0.590 62.604 63.200 -0.011 0.000 0.902 37 S HN 0.773 nan 8.310 nan 0.000 0.440 38 N N 1.240 119.933 118.700 -0.013 0.000 2.515 38 N HA 0.001 4.742 4.740 0.002 0.000 0.185 38 N C 0.059 175.561 175.510 -0.014 0.000 1.109 38 N CA 0.374 53.417 53.050 -0.013 0.000 0.903 38 N CB -0.057 38.423 38.487 -0.013 0.000 0.969 38 N HN 0.239 nan 8.380 nan 0.000 0.450 39 D N -0.098 120.292 120.400 -0.016 0.000 2.551 39 D HA 0.038 4.679 4.640 0.002 0.000 0.223 39 D C 0.940 177.232 176.300 -0.014 0.000 1.144 39 D CA 0.132 54.122 54.000 -0.018 0.000 1.025 39 D CB -0.022 40.764 40.800 -0.024 0.000 1.085 39 D HN -0.070 nan 8.370 nan 0.000 0.506 40 T N 1.997 116.544 114.554 -0.011 0.000 2.759 40 T HA -0.234 4.117 4.350 0.002 0.000 0.269 40 T C 1.136 175.831 174.700 -0.008 0.000 1.042 40 T CA 1.592 63.687 62.100 -0.009 0.000 1.140 40 T CB -0.005 68.859 68.868 -0.007 0.000 0.864 40 T HN 0.631 nan 8.240 nan 0.000 0.455 41 E N 1.014 121.209 120.200 -0.008 0.000 2.359 41 E HA 0.237 4.589 4.350 0.002 0.000 0.187 41 E C 0.293 176.888 176.600 -0.008 0.000 1.081 41 E CA -0.196 56.201 56.400 -0.006 0.000 0.929 41 E CB -0.365 29.333 29.700 -0.004 0.000 1.086 41 E HN 0.189 nan 8.360 nan 0.000 0.462 42 V N 0.800 120.708 119.914 -0.010 0.000 5.620 42 V HA -0.311 3.811 4.120 0.002 0.000 0.192 42 V C 1.006 177.092 176.094 -0.013 0.000 0.714 42 V CA 1.299 63.592 62.300 -0.012 0.000 0.544 42 V CB -1.787 30.030 31.823 -0.009 0.000 0.189 42 V HN 0.652 nan 8.190 nan 0.000 0.450 43 A N 2.069 124.878 122.820 -0.018 0.000 2.508 43 A HA 0.588 4.909 4.320 0.002 0.000 0.257 43 A C 0.471 178.031 177.584 -0.039 0.000 1.226 43 A CA -0.162 51.863 52.037 -0.019 0.000 0.947 43 A CB 0.341 19.335 19.000 -0.011 0.000 1.079 43 A HN 0.568 nan 8.150 nan 0.000 0.531 44 L N 0.586 121.780 121.223 -0.049 0.000 2.431 44 L HA 0.581 4.922 4.340 0.002 0.000 0.260 44 L C 0.705 177.533 176.870 -0.070 0.000 1.098 44 L CA -0.316 54.477 54.840 -0.078 0.000 0.800 44 L CB 1.742 43.757 42.059 -0.074 0.000 1.210 44 L HN 0.396 nan 8.230 nan 0.000 0.465 45 S N -1.347 114.296 115.700 -0.095 0.000 2.685 45 S HA 0.258 4.729 4.470 0.002 0.000 0.282 45 S C 0.179 174.734 174.600 -0.074 0.000 1.159 45 S CA -0.677 57.481 58.200 -0.071 0.000 0.833 45 S CB 1.725 64.885 63.200 -0.066 0.000 1.151 45 S HN 0.570 nan 8.310 nan 0.000 0.485 46 E N 0.483 120.655 120.200 -0.048 0.000 2.204 46 E HA -0.028 4.324 4.350 0.002 0.000 0.194 46 E C 1.464 178.037 176.600 -0.046 0.000 0.989 46 E CA 1.487 57.863 56.400 -0.040 0.000 0.824 46 E CB -0.531 29.156 29.700 -0.022 0.000 0.756 46 E HN 0.490 nan 8.360 nan 0.000 0.477 47 V N 0.586 120.470 119.914 -0.050 0.000 2.255 47 V HA -0.203 3.918 4.120 0.002 0.000 0.243 47 V C 2.370 178.403 176.094 -0.101 0.000 1.038 47 V CA 1.718 63.995 62.300 -0.038 0.000 1.008 47 V CB -0.457 31.371 31.823 0.009 0.000 0.645 47 V HN 0.302 nan 8.190 nan 0.000 0.449 48 I N 0.789 121.212 120.570 -0.244 0.000 2.151 48 I HA -0.321 3.851 4.170 0.002 0.000 0.243 48 I C 2.731 178.718 176.117 -0.216 0.000 1.080 48 I CA 1.803 62.841 61.300 -0.437 0.000 1.339 48 I CB -0.792 36.837 38.000 -0.618 0.000 1.039 48 I HN 0.327 nan 8.210 nan 0.000 0.409 49 A N 0.368 123.101 122.820 -0.144 0.000 1.883 49 A HA -0.284 4.037 4.320 0.002 0.000 0.217 49 A C 2.269 179.820 177.584 -0.055 0.000 1.186 49 A CA 1.850 53.836 52.037 -0.085 0.000 0.624 49 A CB -0.751 18.212 19.000 -0.063 0.000 0.822 49 A HN 0.508 nan 8.150 nan 0.000 0.444 50 Q N -0.729 119.045 119.800 -0.045 0.000 2.096 50 Q HA -0.223 4.118 4.340 0.002 0.000 0.204 50 Q C 1.596 177.591 176.000 -0.008 0.000 0.982 50 Q CA 1.716 57.508 55.803 -0.019 0.000 0.850 50 Q CB -0.263 28.470 28.738 -0.009 0.000 0.901 50 Q HN 0.666 nan 8.270 nan 0.000 0.422 51 D N 0.256 120.651 120.400 -0.008 0.000 2.144 51 D HA -0.091 4.551 4.640 0.002 0.000 0.200 51 D C 1.665 177.975 176.300 0.016 0.000 0.978 51 D CA 0.823 54.839 54.000 0.026 0.000 0.833 51 D CB 0.000 40.850 40.800 0.083 0.000 0.961 51 D HN 0.182 nan 8.370 nan 0.000 0.470 52 I N 0.509 121.071 120.570 -0.014 0.000 2.113 52 I HA -0.223 3.948 4.170 0.002 0.000 0.238 52 I C 2.145 178.260 176.117 -0.004 0.000 1.070 52 I CA 0.867 62.160 61.300 -0.010 0.000 1.332 52 I CB -0.194 37.786 38.000 -0.032 0.000 1.044 52 I HN -0.006 nan 8.210 nan 0.000 0.402 53 I N 0.550 121.114 120.570 -0.010 0.000 2.502 53 I HA -0.296 3.875 4.170 0.002 0.000 0.258 53 I C 2.379 178.498 176.117 0.002 0.000 1.172 53 I CA 1.336 62.633 61.300 -0.005 0.000 1.430 53 I CB -0.339 37.656 38.000 -0.008 0.000 1.086 53 I HN 0.332 nan 8.210 nan 0.000 0.440 54 E N 0.213 120.417 120.200 0.007 0.000 2.190 54 E HA -0.067 4.285 4.350 0.002 0.000 0.191 54 E C 1.779 178.388 176.600 0.015 0.000 0.978 54 E CA 0.845 57.252 56.400 0.012 0.000 0.839 54 E CB 0.454 30.165 29.700 0.017 0.000 0.787 54 E HN 0.232 nan 8.360 nan 0.000 0.473 55 V N -1.316 118.608 119.914 0.017 0.000 3.229 55 V HA 0.202 4.323 4.120 0.002 0.000 0.239 55 V C 1.782 177.885 176.094 0.016 0.000 1.390 55 V CA 0.461 62.772 62.300 0.019 0.000 1.231 55 V CB 0.508 32.347 31.823 0.026 0.000 1.025 55 V HN 0.325 nan 8.190 nan 0.000 0.461 56 G N 0.899 109.708 108.800 0.015 0.000 2.963 56 G HA2 -0.120 3.841 3.960 0.002 0.000 0.205 56 G HA3 -0.120 3.841 3.960 0.002 0.000 0.205 56 G C 1.049 175.954 174.900 0.008 0.000 1.167 56 G CA 1.130 46.237 45.100 0.011 0.000 0.785 56 G HN 0.656 nan 8.290 nan 0.000 0.566 57 A N -0.470 122.355 122.820 0.009 0.000 2.348 57 A HA 0.561 4.882 4.320 0.002 0.000 0.224 57 A C 1.365 178.954 177.584 0.008 0.000 1.227 57 A CA 0.798 52.839 52.037 0.007 0.000 0.885 57 A CB 0.298 19.303 19.000 0.007 0.000 0.933 57 A HN 0.741 nan 8.150 nan 0.000 0.506 58 S N -1.509 114.197 115.700 0.010 0.000 2.566 58 S HA 0.488 4.959 4.470 0.002 0.000 0.298 58 S C 0.677 175.282 174.600 0.010 0.000 1.083 58 S CA -0.205 58.001 58.200 0.009 0.000 0.978 58 S CB 1.714 64.920 63.200 0.010 0.000 1.073 58 S HN 0.109 nan 8.310 nan 0.000 0.491 59 V N 1.806 121.725 119.914 0.008 0.000 2.515 59 V HA -0.089 4.032 4.120 0.002 0.000 0.250 59 V C 2.689 178.789 176.094 0.010 0.000 1.058 59 V CA 2.156 64.460 62.300 0.008 0.000 1.064 59 V CB -0.934 30.891 31.823 0.005 0.000 0.675 59 V HN 1.046 nan 8.190 nan 0.000 0.461 60 E N 0.510 120.716 120.200 0.010 0.000 2.046 60 E HA -0.144 4.208 4.350 0.002 0.000 0.190 60 E C 2.296 178.905 176.600 0.014 0.000 0.982 60 E CA 1.282 57.688 56.400 0.010 0.000 0.800 60 E CB -0.327 29.378 29.700 0.009 0.000 0.756 60 E HN 0.555 nan 8.360 nan 0.000 0.449 61 G N 1.533 110.343 108.800 0.017 0.000 2.421 61 G HA2 -0.239 3.723 3.960 0.002 0.000 0.216 61 G HA3 -0.239 3.723 3.960 0.002 0.000 0.216 61 G C 1.636 176.555 174.900 0.031 0.000 1.171 61 G CA 0.552 45.666 45.100 0.023 0.000 0.775 61 G HN 0.210 nan 8.290 nan 0.000 0.543 62 L N 0.279 121.518 121.223 0.027 0.000 2.127 62 L HA -0.082 4.260 4.340 0.002 0.000 0.211 62 L C 2.961 179.852 176.870 0.034 0.000 1.089 62 L CA 0.943 55.802 54.840 0.032 0.000 0.757 62 L CB -0.223 41.849 42.059 0.021 0.000 0.899 62 L HN 0.216 nan 8.230 nan 0.000 0.434 63 E N -0.289 119.925 120.200 0.024 0.000 2.047 63 E HA -0.204 4.147 4.350 0.002 0.000 0.191 63 E C 2.191 178.804 176.600 0.022 0.000 0.987 63 E CA 0.884 57.296 56.400 0.020 0.000 0.799 63 E CB -0.194 29.513 29.700 0.012 0.000 0.752 63 E HN 0.516 nan 8.360 nan 0.000 0.449 64 Q N 0.544 120.357 119.800 0.021 0.000 2.045 64 Q HA -0.160 4.182 4.340 0.002 0.000 0.206 64 Q C 2.556 178.572 176.000 0.027 0.000 0.991 64 Q CA 1.114 56.926 55.803 0.015 0.000 0.851 64 Q CB -0.457 28.292 28.738 0.018 0.000 0.911 64 Q HN 0.350 nan 8.270 nan 0.000 0.418 65 L N 0.641 121.906 121.223 0.071 0.000 2.042 65 L HA -0.197 4.145 4.340 0.002 0.000 0.210 65 L C 2.583 179.545 176.870 0.154 0.000 1.076 65 L CA 1.629 56.563 54.840 0.156 0.000 0.749 65 L CB -0.660 41.507 42.059 0.179 0.000 0.893 65 L HN 0.313 nan 8.230 nan 0.000 0.432 66 R N 0.602 121.156 120.500 0.090 0.000 2.235 66 R HA 0.022 4.364 4.340 0.002 0.000 0.213 66 R C 2.027 178.348 176.300 0.035 0.000 1.059 66 R CA 0.988 57.133 56.100 0.074 0.000 0.997 66 R CB -0.430 29.899 30.300 0.049 0.000 0.884 66 R HN 0.226 nan 8.270 nan 0.000 0.462 67 A N 1.506 124.331 122.820 0.009 0.000 2.119 67 A HA -0.040 4.281 4.320 0.002 0.000 0.216 67 A C 2.013 179.559 177.584 -0.064 0.000 1.152 67 A CA 0.897 52.922 52.037 -0.020 0.000 0.708 67 A CB -0.121 18.866 19.000 -0.021 0.000 0.805 67 A HN 0.370 nan 8.150 nan 0.000 0.460 68 K N -2.005 118.330 120.400 -0.109 0.000 2.262 68 K HA 0.100 4.422 4.320 0.002 0.000 0.200 68 K C 0.569 176.933 176.600 -0.393 0.000 1.058 68 K CA 0.504 56.610 56.287 -0.302 0.000 0.974 68 K CB 0.105 32.327 32.500 -0.465 0.000 0.910 68 K HN 0.455 nan 8.250 nan 0.000 0.484 69 Y N 0.411 120.711 120.300 -0.001 0.000 2.555 69 Y HA 0.322 4.874 4.550 0.002 0.000 0.259 69 Y C 0.610 176.509 175.900 -0.001 0.000 1.179 69 Y CA 0.022 58.121 58.100 -0.001 0.000 1.230 69 Y CB 1.378 39.838 38.460 -0.001 0.000 1.146 69 Y HN 0.318 nan 8.280 nan 0.000 0.526 70 G N 0.329 109.190 108.800 0.102 0.000 2.631 70 G HA2 -0.211 3.751 3.960 0.002 0.000 0.504 70 G HA3 -0.211 3.751 3.960 0.002 0.000 0.504 70 G C -1.063 173.874 174.900 0.062 0.000 1.306 70 G CA -0.703 44.437 45.100 0.066 0.000 0.897 70 G HN 0.111 nan 8.290 nan 0.000 0.520 71 D N 1.358 121.782 120.400 0.041 0.000 3.110 71 D HA 0.277 4.918 4.640 0.002 0.000 0.254 71 D C 1.037 177.353 176.300 0.028 0.000 1.283 71 D CA 0.038 54.057 54.000 0.032 0.000 0.944 71 D CB -0.073 40.739 40.800 0.020 0.000 1.066 71 D HN 0.437 nan 8.370 nan 0.000 0.496 72 L N 1.973 123.217 121.223 0.035 0.000 2.562 72 L HA -0.038 4.303 4.340 0.002 0.000 0.271 72 L C 2.200 179.077 176.870 0.011 0.000 1.167 72 L CA -0.135 54.718 54.840 0.020 0.000 0.917 72 L CB 0.703 42.772 42.059 0.016 0.000 1.187 72 L HN 0.166 nan 8.230 nan 0.000 0.482 73 Q N 3.845 123.648 119.800 0.006 0.000 2.242 73 Q HA -0.274 4.067 4.340 0.002 0.000 0.211 73 Q C 1.744 177.743 176.000 -0.002 0.000 0.992 73 Q CA 2.178 57.982 55.803 0.002 0.000 0.889 73 Q CB -0.141 28.597 28.738 -0.001 0.000 0.913 73 Q HN 0.797 nan 8.270 nan 0.000 0.422 74 I N 0.224 120.790 120.570 -0.005 0.000 2.394 74 I HA -0.222 3.949 4.170 0.002 0.000 0.251 74 I C 1.961 178.074 176.117 -0.007 0.000 1.136 74 I CA 0.812 62.105 61.300 -0.010 0.000 1.425 74 I CB -0.246 37.743 38.000 -0.019 0.000 1.079 74 I HN 0.188 nan 8.210 nan 0.000 0.425 75 L N 0.681 121.903 121.223 -0.001 0.000 2.109 75 L HA -0.128 4.214 4.340 0.002 0.000 0.207 75 L C 2.261 179.135 176.870 0.007 0.000 1.086 75 L CA 1.960 56.803 54.840 0.007 0.000 0.760 75 L CB -1.407 40.665 42.059 0.022 0.000 0.910 75 L HN 0.479 nan 8.230 nan 0.000 0.437 76 N N -0.140 118.563 118.700 0.006 0.000 2.084 76 N HA -0.227 4.514 4.740 0.002 0.000 0.190 76 N C 1.766 177.275 175.510 -0.001 0.000 1.030 76 N CA 1.585 54.637 53.050 0.004 0.000 0.849 76 N CB -0.054 38.435 38.487 0.003 0.000 1.012 76 N HN 0.199 nan 8.380 nan 0.000 0.423 77 K N -0.130 120.268 120.400 -0.003 0.000 2.113 77 K HA -0.121 4.201 4.320 0.002 0.000 0.208 77 K C 1.974 178.570 176.600 -0.006 0.000 1.047 77 K CA 1.298 57.581 56.287 -0.006 0.000 0.928 77 K CB -0.250 32.246 32.500 -0.008 0.000 0.716 77 K HN 0.315 nan 8.250 nan 0.000 0.446 78 L N 0.365 121.586 121.223 -0.004 0.000 2.131 78 L HA -0.123 4.219 4.340 0.002 0.000 0.206 78 L C 2.520 179.390 176.870 -0.001 0.000 1.087 78 L CA 0.978 55.816 54.840 -0.003 0.000 0.767 78 L CB -0.251 41.807 42.059 -0.002 0.000 0.917 78 L HN 0.270 nan 8.230 nan 0.000 0.441 79 E N 0.581 120.782 120.200 0.001 0.000 2.204 79 E HA -0.246 4.105 4.350 0.002 0.000 0.194 79 E C 2.127 178.726 176.600 -0.002 0.000 0.989 79 E CA 0.929 57.331 56.400 0.002 0.000 0.824 79 E CB 0.246 29.949 29.700 0.005 0.000 0.756 79 E HN 0.264 nan 8.360 nan 0.000 0.477 80 K N -0.139 120.258 120.400 -0.005 0.000 1.984 80 K HA -0.108 4.214 4.320 0.002 0.000 0.209 80 K C 1.990 178.584 176.600 -0.010 0.000 1.046 80 K CA 1.444 57.726 56.287 -0.009 0.000 0.934 80 K CB -0.044 32.449 32.500 -0.011 0.000 0.717 80 K HN 0.001 nan 8.250 nan 0.000 0.438 81 V N 1.149 121.057 119.914 -0.010 0.000 2.469 81 V HA -0.260 3.861 4.120 0.002 0.000 0.251 81 V C 2.244 178.335 176.094 -0.006 0.000 1.064 81 V CA 1.973 64.267 62.300 -0.009 0.000 1.066 81 V CB -0.633 31.186 31.823 -0.008 0.000 0.667 81 V HN 0.474 nan 8.190 nan 0.000 0.461 82 A N -0.400 122.418 122.820 -0.003 0.000 1.897 82 A HA -0.107 4.215 4.320 0.002 0.000 0.215 82 A C 2.379 179.962 177.584 -0.002 0.000 1.181 82 A CA 1.668 53.704 52.037 -0.001 0.000 0.620 82 A CB -0.574 18.427 19.000 0.002 0.000 0.821 82 A HN 0.312 nan 8.150 nan 0.000 0.443 83 V N 0.315 120.226 119.914 -0.005 0.000 2.392 83 V HA -0.321 3.800 4.120 0.002 0.000 0.249 83 V C 2.717 178.805 176.094 -0.011 0.000 1.059 83 V CA 2.373 64.669 62.300 -0.007 0.000 1.051 83 V CB -0.733 31.085 31.823 -0.008 0.000 0.658 83 V HN 0.756 nan 8.190 nan 0.000 0.455 84 Q N -0.507 119.286 119.800 -0.012 0.000 1.967 84 Q HA -0.248 4.093 4.340 0.002 0.000 0.202 84 Q C 2.399 178.393 176.000 -0.010 0.000 0.985 84 Q CA 1.808 57.602 55.803 -0.015 0.000 0.839 84 Q CB -0.186 28.541 28.738 -0.018 0.000 0.906 84 Q HN 0.583 nan 8.270 nan 0.000 0.423 85 Q N -0.373 119.425 119.800 -0.003 0.000 2.197 85 Q HA -0.148 4.194 4.340 0.002 0.000 0.207 85 Q C 2.016 178.016 176.000 -0.000 0.000 0.984 85 Q CA 1.806 57.612 55.803 0.004 0.000 0.869 85 Q CB -0.415 28.327 28.738 0.007 0.000 0.906 85 Q HN 0.428 nan 8.270 nan 0.000 0.426 86 T N 1.323 115.875 114.554 -0.003 0.000 2.777 86 T HA -0.093 4.258 4.350 0.002 0.000 0.266 86 T C 1.027 175.721 174.700 -0.010 0.000 1.040 86 T CA 0.659 62.757 62.100 -0.003 0.000 1.141 86 T CB 0.036 68.903 68.868 -0.002 0.000 0.868 86 T HN 0.330 nan 8.240 nan 0.000 0.444 90 A N 0.524 123.353 122.820 0.016 0.000 1.898 90 A HA 0.184 4.506 4.320 0.002 0.000 0.216 90 A C 1.940 179.550 177.584 0.043 0.000 1.181 90 A CA 1.901 53.952 52.037 0.023 0.000 0.620 90 A CB -1.139 17.867 19.000 0.010 0.000 0.819 90 A HN 0.522 nan 8.150 nan 0.000 0.442 91 G N -0.528 108.291 108.800 0.032 0.000 2.440 91 G HA2 -0.139 3.822 3.960 0.002 0.000 0.218 91 G HA3 -0.139 3.822 3.960 0.002 0.000 0.218 91 G C 1.501 176.531 174.900 0.217 0.000 1.154 91 G CA 1.273 46.433 45.100 0.099 0.000 0.767 91 G HN 0.313 nan 8.290 nan 0.000 0.552 92 V N 1.300 121.330 119.914 0.193 0.000 2.358 92 V HA -0.133 3.989 4.120 0.002 0.000 0.246 92 V C 2.558 178.715 176.094 0.105 0.000 1.047 92 V CA 2.069 64.472 62.300 0.172 0.000 1.035 92 V CB -0.327 31.574 31.823 0.131 0.000 0.658 92 V HN 0.317 nan 8.190 nan 0.000 0.452 93 D N 0.064 120.513 120.400 0.082 0.000 2.117 93 D HA -0.175 4.466 4.640 0.002 0.000 0.197 93 D C 2.202 178.547 176.300 0.074 0.000 0.987 93 D CA 1.224 55.262 54.000 0.065 0.000 0.829 93 D CB -0.181 40.649 40.800 0.049 0.000 0.961 93 D HN 0.418 nan 8.370 nan 0.000 0.460 94 K N 0.367 120.816 120.400 0.081 0.000 2.063 94 K HA -0.073 4.248 4.320 0.002 0.000 0.208 94 K C 2.369 179.033 176.600 0.106 0.000 1.048 94 K CA 0.585 56.920 56.287 0.081 0.000 0.928 94 K CB -0.100 32.438 32.500 0.063 0.000 0.713 94 K HN 0.140 nan 8.250 nan 0.000 0.442 95 L N 1.088 122.375 121.223 0.107 0.000 1.976 95 L HA -0.236 4.105 4.340 0.002 0.000 0.209 95 L C 1.993 178.952 176.870 0.147 0.000 1.071 95 L CA 1.307 56.216 54.840 0.114 0.000 0.746 95 L CB -0.669 41.425 42.059 0.058 0.000 0.890 95 L HN 0.232 nan 8.230 nan 0.000 0.432 96 D N -0.476 119.984 120.400 0.099 0.000 2.203 96 D HA -0.207 4.434 4.640 0.002 0.000 0.199 96 D C 2.290 178.642 176.300 0.087 0.000 0.997 96 D CA 1.734 55.783 54.000 0.081 0.000 0.863 96 D CB 0.022 40.857 40.800 0.057 0.000 0.928 96 D HN 0.204 nan 8.370 nan 0.000 0.458 97 S N -0.982 114.779 115.700 0.103 0.000 2.461 97 S HA -0.092 4.379 4.470 0.002 0.000 0.228 97 S C 1.597 176.271 174.600 0.123 0.000 1.005 97 S CA 0.085 58.340 58.200 0.091 0.000 0.942 97 S CB -0.156 63.095 63.200 0.085 0.000 0.776 97 S HN 0.172 nan 8.310 nan 0.000 0.514 98 F N 2.220 122.172 119.950 0.003 0.000 2.187 98 F HA 0.225 4.754 4.527 0.003 0.000 0.295 98 F C 2.210 178.017 175.800 0.013 0.000 1.091 98 F CA 1.555 59.553 58.000 -0.004 0.000 1.308 98 F CB -0.451 38.532 39.000 -0.028 0.000 1.030 98 F HN 0.279 nan 8.300 nan 0.000 0.487 99 E N 0.190 120.456 120.200 0.111 0.000 2.110 99 E HA -0.263 4.089 4.350 0.002 0.000 0.193 99 E C 2.486 179.060 176.600 -0.043 0.000 0.988 99 E CA 0.933 57.346 56.400 0.022 0.000 0.804 99 E CB -0.271 29.471 29.700 0.069 0.000 0.745 99 E HN 0.278 nan 8.360 nan 0.000 0.458 100 R N 0.513 121.002 120.500 -0.018 0.000 2.127 100 R HA -0.194 4.148 4.340 0.002 0.000 0.238 100 R C 2.273 178.533 176.300 -0.067 0.000 1.134 100 R CA 1.798 57.883 56.100 -0.026 0.000 0.975 100 R CB -0.117 30.181 30.300 -0.002 0.000 0.865 100 R HN 0.320 nan 8.270 nan 0.000 0.447 101 Q N 0.054 119.776 119.800 -0.130 0.000 2.137 101 Q HA -0.046 4.295 4.340 0.002 0.000 0.198 101 Q C 2.237 178.114 176.000 -0.206 0.000 0.960 101 Q CA 0.751 56.446 55.803 -0.180 0.000 0.847 101 Q CB 0.162 28.742 28.738 -0.264 0.000 0.915 101 Q HN 0.364 nan 8.270 nan 0.000 0.448 102 L N 0.538 121.595 121.223 -0.276 0.000 1.988 102 L HA -0.184 4.157 4.340 0.002 0.000 0.207 102 L C 1.613 178.438 176.870 -0.077 0.000 1.071 102 L CA 1.322 56.049 54.840 -0.188 0.000 0.744 102 L CB -0.518 41.439 42.059 -0.169 0.000 0.893 102 L HN 0.187 nan 8.230 nan 0.000 0.433 103 D N -0.405 119.961 120.400 -0.057 0.000 2.393 103 D HA -0.197 4.444 4.640 0.002 0.000 0.220 103 D C 1.871 178.160 176.300 -0.019 0.000 0.974 103 D CA 0.859 54.844 54.000 -0.025 0.000 0.931 103 D CB 0.063 40.853 40.800 -0.016 0.000 0.889 103 D HN 0.404 nan 8.370 nan 0.000 0.512 104 E N -0.632 119.551 120.200 -0.029 0.000 2.206 104 E HA 0.106 4.458 4.350 0.002 0.000 0.195 104 E C 1.872 178.475 176.600 0.005 0.000 0.935 104 E CA -0.114 56.276 56.400 -0.017 0.000 0.875 104 E CB 0.220 29.901 29.700 -0.032 0.000 0.841 104 E HN 0.152 nan 8.360 nan 0.000 0.477 105 L N 0.776 122.008 121.223 0.015 0.000 2.275 105 L HA -0.044 4.298 4.340 0.002 0.000 0.215 105 L C 2.324 179.285 176.870 0.152 0.000 1.119 105 L CA 0.684 55.589 54.840 0.108 0.000 0.790 105 L CB -0.280 41.874 42.059 0.158 0.000 0.919 105 L HN 0.175 nan 8.230 nan 0.000 0.443 106 A N -0.400 122.455 122.820 0.059 0.000 2.225 106 A HA -0.135 4.186 4.320 0.002 0.000 0.215 106 A C 2.025 179.638 177.584 0.047 0.000 1.164 106 A CA 1.187 53.243 52.037 0.033 0.000 0.710 106 A CB -0.188 18.813 19.000 0.003 0.000 0.780 106 A HN 0.354 nan 8.150 nan 0.000 0.473 107 E N -0.382 119.855 120.200 0.063 0.000 2.110 107 E HA -0.010 4.342 4.350 0.002 0.000 0.193 107 E C 0.834 177.485 176.600 0.086 0.000 0.950 107 E CA 0.021 56.453 56.400 0.053 0.000 0.840 107 E CB -0.718 29.000 29.700 0.030 0.000 0.809 107 E HN 0.732 nan 8.360 nan 0.000 0.465 108 Q N 3.717 123.582 119.800 0.109 0.000 2.339 108 Q HA -0.024 4.317 4.340 0.002 0.000 0.308 108 Q C -2.133 174.035 176.000 0.279 0.000 1.097 108 Q CA -1.058 54.819 55.803 0.123 0.000 1.007 108 Q CB 0.302 29.040 28.738 -0.000 0.000 1.051 108 Q HN -0.070 nan 8.270 nan 0.000 0.381 109 P HA -0.033 nan 4.420 nan 0.000 0.263 109 P C -2.328 175.160 177.300 0.313 0.000 1.195 109 P CA -1.030 62.184 63.100 0.190 0.000 0.762 109 P CB 0.664 32.433 31.700 0.114 0.000 0.799 110 P HA -0.237 nan 4.420 nan 0.000 0.221 110 P C 0.930 178.462 177.300 0.386 0.000 1.151 110 P CA 1.789 64.983 63.100 0.157 0.000 0.843 110 P CB -0.170 31.548 31.700 0.031 0.000 0.778 111 D N -1.981 118.603 120.400 0.307 0.000 2.339 111 D HA -0.046 4.596 4.640 0.002 0.000 0.217 111 D C 1.496 177.913 176.300 0.195 0.000 1.050 111 D CA 0.312 54.450 54.000 0.231 0.000 0.856 111 D CB -0.376 40.487 40.800 0.104 0.000 0.922 111 D HN 0.223 nan 8.370 nan 0.000 0.518 112 Q N -0.836 119.142 119.800 0.296 0.000 2.402 112 Q HA 0.153 4.495 4.340 0.002 0.000 0.206 112 Q C -0.073 176.009 176.000 0.135 0.000 0.919 112 Q CA 0.065 55.954 55.803 0.142 0.000 0.923 112 Q CB 0.302 29.058 28.738 0.031 0.000 1.048 112 Q HN 0.128 nan 8.270 nan 0.000 0.515 113 F N -0.154 119.879 119.950 0.139 0.000 2.373 113 F HA 0.251 4.779 4.527 0.002 0.000 0.302 113 F C 0.775 176.679 175.800 0.174 0.000 1.247 113 F CA -0.157 57.948 58.000 0.175 0.000 1.169 113 F CB 0.570 39.715 39.000 0.242 0.000 1.309 113 F HN -0.280 nan 8.300 nan 0.000 0.537 114 T N 0.896 115.686 114.554 0.392 0.000 2.901 114 T HA 0.249 4.601 4.350 0.002 0.000 0.293 114 T C 0.417 175.326 174.700 0.347 0.000 1.084 114 T CA -0.640 61.596 62.100 0.227 0.000 1.008 114 T CB 1.793 70.722 68.868 0.102 0.000 1.170 114 T HN 0.462 nan 8.240 nan 0.000 0.509 115 L N 1.197 122.580 121.223 0.267 0.000 2.353 115 L HA -0.013 4.328 4.340 0.002 0.000 0.220 115 L C 1.437 178.419 176.870 0.185 0.000 1.133 115 L CA 1.891 56.906 54.840 0.293 0.000 0.798 115 L CB -0.645 41.525 42.059 0.186 0.000 0.922 115 L HN 0.594 nan 8.230 nan 0.000 0.445 116 D N -0.861 119.627 120.400 0.147 0.000 2.162 116 D HA -0.122 4.520 4.640 0.002 0.000 0.205 116 D C 1.442 177.822 176.300 0.133 0.000 0.964 116 D CA 1.102 55.170 54.000 0.112 0.000 0.847 116 D CB -0.013 40.831 40.800 0.073 0.000 0.988 116 D HN 0.404 nan 8.370 nan 0.000 0.480 117 D N 1.029 121.526 120.400 0.162 0.000 2.144 117 D HA -0.097 4.545 4.640 0.002 0.000 0.199 117 D C 2.320 178.756 176.300 0.227 0.000 0.984 117 D CA 0.548 54.651 54.000 0.171 0.000 0.834 117 D CB 0.119 41.023 40.800 0.173 0.000 0.955 117 D HN 0.095 nan 8.370 nan 0.000 0.465 118 V N 1.223 121.289 119.914 0.252 0.000 2.379 118 V HA -0.177 3.945 4.120 0.002 0.000 0.245 118 V C 2.377 178.605 176.094 0.223 0.000 1.044 118 V CA 1.239 63.677 62.300 0.230 0.000 1.036 118 V CB -0.361 31.537 31.823 0.126 0.000 0.664 118 V HN 0.109 nan 8.190 nan 0.000 0.453 119 K N 0.437 120.937 120.400 0.167 0.000 2.063 119 K HA -0.157 4.165 4.320 0.002 0.000 0.208 119 K C 2.327 179.028 176.600 0.168 0.000 1.048 119 K CA 1.484 57.858 56.287 0.145 0.000 0.928 119 K CB -0.439 32.119 32.500 0.096 0.000 0.713 119 K HN 0.477 nan 8.250 nan 0.000 0.442 120 A N 1.848 124.755 122.820 0.145 0.000 1.829 120 A HA -0.202 4.119 4.320 0.002 0.000 0.216 120 A C 2.159 179.827 177.584 0.140 0.000 1.207 120 A CA 1.515 53.624 52.037 0.119 0.000 0.622 120 A CB -1.033 18.030 19.000 0.105 0.000 0.846 120 A HN 0.194 nan 8.150 nan 0.000 0.447 121 L N -1.010 120.334 121.223 0.201 0.000 2.064 121 L HA -0.333 4.009 4.340 0.002 0.000 0.216 121 L C 2.763 179.725 176.870 0.152 0.000 1.077 121 L CA 2.043 57.044 54.840 0.269 0.000 0.766 121 L CB -0.814 41.479 42.059 0.389 0.000 0.890 121 L HN 0.698 nan 8.230 nan 0.000 0.435 122 H N -0.428 118.683 119.070 0.068 0.000 2.321 122 H HA -0.136 4.421 4.556 0.002 0.000 0.300 122 H C 2.317 177.521 175.328 -0.208 0.000 1.087 122 H CA 1.928 57.908 56.048 -0.113 0.000 1.319 122 H CB 0.296 30.093 29.762 0.058 0.000 1.379 122 H HN 0.279 nan 8.280 nan 0.000 0.501 123 S N 0.510 116.179 115.700 -0.052 0.000 2.368 123 S HA -0.113 4.359 4.470 0.002 0.000 0.224 123 S C 2.105 176.567 174.600 -0.230 0.000 1.029 123 S CA 1.185 59.304 58.200 -0.135 0.000 0.988 123 S CB -0.099 63.106 63.200 0.008 0.000 0.838 123 S HN 0.427 nan 8.310 nan 0.000 0.462 124 K N 0.668 120.974 120.400 -0.156 0.000 2.103 124 K HA -0.126 4.196 4.320 0.002 0.000 0.207 124 K C 2.025 178.379 176.600 -0.411 0.000 1.048 124 K CA 1.163 57.352 56.287 -0.164 0.000 0.930 124 K CB -0.189 32.318 32.500 0.011 0.000 0.716 124 K HN 0.239 nan 8.250 nan 0.000 0.444 125 L N 0.751 121.556 121.223 -0.696 0.000 2.162 125 L HA -0.031 4.311 4.340 0.002 0.000 0.205 125 L C 2.001 178.083 176.870 -1.314 0.000 1.086 125 L CA 2.068 56.172 54.840 -1.226 0.000 0.778 125 L CB -0.649 40.461 42.059 -1.582 0.000 0.928 125 L HN 0.330 nan 8.230 nan 0.000 0.446 126 T N -3.991 109.950 114.554 -1.021 0.000 3.035 126 T HA -0.100 4.252 4.350 0.002 0.000 0.268 126 T C 2.003 176.465 174.700 -0.396 0.000 1.109 126 T CA 1.170 62.805 62.100 -0.774 0.000 1.119 126 T CB -0.539 68.003 68.868 -0.542 0.000 0.900 126 T HN 0.307 nan 8.240 nan 0.000 0.503 127 S N 0.333 115.818 115.700 -0.357 0.000 2.414 127 S HA 0.005 4.477 4.470 0.002 0.000 0.227 127 S C 1.987 176.503 174.600 -0.141 0.000 1.022 127 S CA 0.594 58.684 58.200 -0.183 0.000 0.958 127 S CB -0.485 62.627 63.200 -0.147 0.000 0.797 127 S HN 0.401 nan 8.310 nan 0.000 0.493 128 V N 1.507 121.277 119.914 -0.240 0.000 2.358 128 V HA -0.091 4.031 4.120 0.002 0.000 0.246 128 V C 1.969 178.129 176.094 0.109 0.000 1.047 128 V CA 1.728 63.964 62.300 -0.107 0.000 1.035 128 V CB -0.940 30.753 31.823 -0.216 0.000 0.658 128 V HN 0.584 nan 8.190 nan 0.000 0.452 129 F N 0.568 120.457 119.950 -0.103 0.000 2.154 129 F HA -0.263 4.266 4.527 0.002 0.000 0.301 129 F C 2.495 178.297 175.800 0.003 0.000 1.087 129 F CA 0.833 58.820 58.000 -0.021 0.000 1.274 129 F CB -0.327 38.619 39.000 -0.090 0.000 1.009 129 F HN 0.221 nan 8.300 nan 0.000 0.485 130 A N -0.453 122.460 122.820 0.155 0.000 2.014 130 A HA -0.124 4.197 4.320 0.002 0.000 0.218 130 A C 2.005 179.614 177.584 0.041 0.000 1.163 130 A CA 1.677 53.760 52.037 0.075 0.000 0.652 130 A CB -1.036 17.984 19.000 0.033 0.000 0.808 130 A HN 0.262 nan 8.150 nan 0.000 0.449 131 T N -0.493 114.083 114.554 0.038 0.000 2.822 131 T HA -0.050 4.301 4.350 0.002 0.000 0.270 131 T C 0.544 175.225 174.700 -0.032 0.000 1.064 131 T CA 1.446 63.550 62.100 0.006 0.000 1.131 131 T CB -0.254 68.623 68.868 0.015 0.000 0.858 131 T HN 0.093 nan 8.240 nan 0.000 0.483 132 V N 4.531 124.411 119.914 -0.057 0.000 2.266 132 V HA 0.275 4.396 4.120 0.002 0.000 0.271 132 V C -2.133 173.926 176.094 -0.058 0.000 1.032 132 V CA -2.113 60.084 62.300 -0.171 0.000 0.806 132 V CB 0.849 32.306 31.823 -0.611 0.000 1.052 132 V HN 0.212 nan 8.190 nan 0.000 0.449 133 P HA 0.057 nan 4.420 nan 0.000 0.268 133 P C -0.539 176.794 177.300 0.056 0.000 1.208 133 P CA -0.275 62.837 63.100 0.019 0.000 0.777 133 P CB 0.797 32.496 31.700 -0.002 0.000 0.875 134 Q N 2.113 121.945 119.800 0.054 0.000 2.489 134 Q HA 0.252 4.594 4.340 0.002 0.000 0.231 134 Q C 0.290 176.225 176.000 -0.109 0.000 1.273 134 Q CA 0.330 56.159 55.803 0.044 0.000 0.898 134 Q CB -0.833 27.934 28.738 0.048 0.000 1.545 134 Q HN 0.470 nan 8.270 nan 0.000 0.538 135 I N 1.637 122.041 120.570 -0.277 0.000 2.440 135 I HA 0.140 4.312 4.170 0.002 0.000 0.294 135 I C 0.625 176.442 176.117 -0.500 0.000 0.995 135 I CA -0.457 60.648 61.300 -0.324 0.000 1.306 135 I CB 0.969 38.800 38.000 -0.282 0.000 1.407 135 I HN 0.227 nan 8.210 nan 0.000 0.501 136 N N 5.840 124.363 118.700 -0.294 0.000 3.194 136 N HA 0.243 4.984 4.740 0.002 0.000 0.271 136 N C -0.967 174.433 175.510 -0.183 0.000 1.308 136 N CA -0.112 52.790 53.050 -0.247 0.000 1.042 136 N CB 0.388 38.793 38.487 -0.137 0.000 1.310 136 N HN 0.590 nan 8.380 nan 0.000 0.502 137 N N 1.383 119.953 118.700 -0.216 0.000 2.437 137 N HA 0.319 5.060 4.740 0.002 0.000 0.259 137 N C 0.222 175.688 175.510 -0.072 0.000 0.983 137 N CA -0.572 52.406 53.050 -0.120 0.000 0.937 137 N CB 1.770 40.193 38.487 -0.106 0.000 1.122 137 N HN 0.252 nan 8.380 nan 0.000 0.499 138 I N 2.890 123.435 120.570 -0.041 0.000 3.417 138 I HA -0.239 3.932 4.170 0.002 0.000 0.317 138 I C 0.677 176.801 176.117 0.011 0.000 1.257 138 I CA 0.763 62.056 61.300 -0.013 0.000 1.379 138 I CB -0.320 37.675 38.000 -0.008 0.000 1.419 138 I HN 0.715 nan 8.210 nan 0.000 0.507 139 D N 3.920 124.341 120.400 0.034 0.000 2.737 139 D HA -0.196 4.446 4.640 0.002 0.000 0.233 139 D C 0.641 176.984 176.300 0.071 0.000 1.155 139 D CA 0.927 54.964 54.000 0.062 0.000 0.667 139 D CB -0.256 40.570 40.800 0.043 0.000 1.060 139 D HN 0.627 nan 8.370 nan 0.000 0.427 140 S N -1.106 114.637 115.700 0.072 0.000 2.611 140 S HA -0.040 4.432 4.470 0.002 0.000 0.252 140 S C 1.491 176.166 174.600 0.126 0.000 1.369 140 S CA 0.250 58.494 58.200 0.073 0.000 0.975 140 S CB 0.601 63.826 63.200 0.041 0.000 0.937 140 S HN 0.298 nan 8.310 nan 0.000 0.584 141 Q N -0.089 119.775 119.800 0.107 0.000 2.576 141 Q HA -0.155 4.186 4.340 0.002 0.000 0.218 141 Q C 0.864 176.953 176.000 0.148 0.000 0.983 141 Q CA 0.682 56.546 55.803 0.101 0.000 0.920 141 Q CB -0.263 28.519 28.738 0.073 0.000 0.973 141 Q HN 0.735 nan 8.270 nan 0.000 0.528 142 Y N 0.733 121.051 120.300 0.030 0.000 2.207 142 Y HA -0.268 4.283 4.550 0.002 0.000 0.287 142 Y C 2.239 178.192 175.900 0.088 0.000 1.156 142 Y CA 1.264 59.396 58.100 0.054 0.000 1.182 142 Y CB -0.266 38.208 38.460 0.024 0.000 0.979 142 Y HN 0.177 nan 8.280 nan 0.000 0.521 143 A N -0.377 122.534 122.820 0.152 0.000 2.024 143 A HA -0.110 4.211 4.320 0.002 0.000 0.220 143 A C 2.389 179.984 177.584 0.017 0.000 1.164 143 A CA 1.645 53.723 52.037 0.068 0.000 0.643 143 A CB -1.172 17.868 19.000 0.067 0.000 0.806 143 A HN 0.498 nan 8.150 nan 0.000 0.451 144 A N -1.328 121.512 122.820 0.034 0.000 1.872 144 A HA -0.003 4.319 4.320 0.002 0.000 0.214 144 A C 2.123 179.705 177.584 -0.003 0.000 1.187 144 A CA 1.458 53.506 52.037 0.019 0.000 0.614 144 A CB -0.795 18.229 19.000 0.041 0.000 0.826 144 A HN 0.725 nan 8.150 nan 0.000 0.442 145 Y N 1.240 121.454 120.300 -0.143 0.000 2.145 145 Y HA -0.226 4.326 4.550 0.002 0.000 0.286 145 Y C 2.136 177.891 175.900 -0.242 0.000 1.145 145 Y CA 2.135 60.116 58.100 -0.199 0.000 1.148 145 Y CB -0.668 37.614 38.460 -0.297 0.000 0.981 145 Y HN 0.433 nan 8.280 nan 0.000 0.507 146 N N 0.204 118.742 118.700 -0.270 0.000 2.061 146 N HA -0.276 4.465 4.740 0.002 0.000 0.193 146 N C 1.940 177.287 175.510 -0.271 0.000 1.030 146 N CA 1.550 54.405 53.050 -0.325 0.000 0.856 146 N CB -0.283 38.104 38.487 -0.167 0.000 1.023 146 N HN 0.372 nan 8.380 nan 0.000 0.424 147 K N 1.187 121.488 120.400 -0.164 0.000 1.991 147 K HA -0.184 4.137 4.320 0.002 0.000 0.212 147 K C 2.138 178.650 176.600 -0.147 0.000 1.049 147 K CA 1.184 57.402 56.287 -0.116 0.000 0.932 147 K CB -0.343 32.120 32.500 -0.062 0.000 0.717 147 K HN 0.042 nan 8.250 nan 0.000 0.441 148 L N 2.015 123.140 121.223 -0.162 0.000 2.081 148 L HA -0.194 4.147 4.340 0.002 0.000 0.212 148 L C 2.377 179.116 176.870 -0.218 0.000 1.080 148 L CA 2.008 56.757 54.840 -0.150 0.000 0.754 148 L CB -0.658 41.328 42.059 -0.121 0.000 0.893 148 L HN 0.308 nan 8.230 nan 0.000 0.433 149 K N -1.274 118.869 120.400 -0.429 0.000 2.026 149 K HA -0.195 4.127 4.320 0.002 0.000 0.208 149 K C 2.313 178.748 176.600 -0.275 0.000 1.048 149 K CA 1.573 57.569 56.287 -0.485 0.000 0.929 149 K CB -0.353 31.600 32.500 -0.911 0.000 0.713 149 K HN 0.406 nan 8.250 nan 0.000 0.439 150 S N 0.872 116.424 115.700 -0.247 0.000 2.359 150 S HA -0.232 4.240 4.470 0.002 0.000 0.222 150 S C 1.975 176.538 174.600 -0.062 0.000 1.038 150 S CA 2.010 60.126 58.200 -0.139 0.000 1.051 150 S CB -0.331 62.802 63.200 -0.111 0.000 0.944 150 S HN 0.441 nan 8.310 nan 0.000 0.433 151 K N 0.246 120.614 120.400 -0.053 0.000 2.020 151 K HA -0.110 4.212 4.320 0.002 0.000 0.212 151 K C 1.911 178.532 176.600 0.036 0.000 1.050 151 K CA 1.983 58.266 56.287 -0.006 0.000 0.929 151 K CB -0.448 32.046 32.500 -0.010 0.000 0.714 151 K HN 0.324 nan 8.250 nan 0.000 0.443 152 V N 1.163 121.104 119.914 0.045 0.000 2.594 152 V HA -0.205 3.917 4.120 0.002 0.000 0.253 152 V C 2.115 178.320 176.094 0.185 0.000 1.069 152 V CA 2.116 64.497 62.300 0.134 0.000 1.082 152 V CB -0.558 31.363 31.823 0.163 0.000 0.680 152 V HN 0.497 nan 8.190 nan 0.000 0.469 153 T N 0.414 115.045 114.554 0.129 0.000 2.732 153 T HA -0.069 4.283 4.350 0.002 0.000 0.261 153 T C 2.031 176.825 174.700 0.157 0.000 1.040 153 T CA 1.483 63.677 62.100 0.156 0.000 1.145 153 T CB -0.712 68.204 68.868 0.079 0.000 0.866 153 T HN 0.578 nan 8.240 nan 0.000 0.427 154 G N 1.627 110.481 108.800 0.090 0.000 2.476 154 G HA2 -0.319 3.643 3.960 0.002 0.000 0.218 154 G HA3 -0.319 3.643 3.960 0.002 0.000 0.218 154 G C 1.593 176.551 174.900 0.098 0.000 1.164 154 G CA 1.541 46.691 45.100 0.082 0.000 0.768 154 G HN 0.410 nan 8.290 nan 0.000 0.560 155 K N -0.346 120.120 120.400 0.110 0.000 2.044 155 K HA -0.199 4.122 4.320 0.002 0.000 0.210 155 K C 2.165 178.839 176.600 0.124 0.000 1.049 155 K CA 1.702 58.049 56.287 0.101 0.000 0.927 155 K CB -0.612 31.954 32.500 0.110 0.000 0.713 155 K HN 0.417 nan 8.250 nan 0.000 0.443 156 Y N 1.208 121.552 120.300 0.074 0.000 2.114 156 Y HA -0.249 4.303 4.550 0.002 0.000 0.284 156 Y C 1.743 177.657 175.900 0.023 0.000 1.143 156 Y CA 1.983 60.132 58.100 0.082 0.000 1.135 156 Y CB -0.494 38.070 38.460 0.173 0.000 0.980 156 Y HN 0.170 nan 8.280 nan 0.000 0.499 157 N N 0.825 119.508 118.700 -0.029 0.000 2.036 157 N HA -0.218 4.523 4.740 0.002 0.000 0.195 157 N C 1.602 177.047 175.510 -0.107 0.000 1.037 157 N CA 1.625 54.605 53.050 -0.116 0.000 0.855 157 N CB -0.856 37.659 38.487 0.046 0.000 1.033 157 N HN 0.567 nan 8.380 nan 0.000 0.423 158 D N 0.827 121.206 120.400 -0.036 0.000 2.074 158 D HA -0.080 4.561 4.640 0.002 0.000 0.221 158 D C 1.906 178.129 176.300 -0.130 0.000 0.972 158 D CA 1.107 55.078 54.000 -0.048 0.000 0.901 158 D CB -0.400 40.400 40.800 0.000 0.000 1.047 158 D HN -0.068 nan 8.370 nan 0.000 0.453 159 V N 0.798 120.652 119.914 -0.100 0.000 2.613 159 V HA -0.223 3.898 4.120 0.002 0.000 0.259 159 V C 2.356 178.313 176.094 -0.227 0.000 1.099 159 V CA 1.354 63.579 62.300 -0.125 0.000 1.115 159 V CB -0.309 31.475 31.823 -0.064 0.000 0.686 159 V HN 0.343 nan 8.190 nan 0.000 0.481 160 I N -2.074 118.305 120.570 -0.318 0.000 3.534 160 I HA 0.060 4.231 4.170 0.002 0.000 0.251 160 I C 1.979 177.746 176.117 -0.584 0.000 1.136 160 I CA 0.098 61.117 61.300 -0.470 0.000 1.475 160 I CB 0.111 37.858 38.000 -0.420 0.000 1.526 160 I HN 0.063 nan 8.210 nan 0.000 0.454 161 I N 1.163 121.376 120.570 -0.596 0.000 2.202 161 I HA -0.252 3.920 4.170 0.002 0.000 0.242 161 I C 2.530 178.321 176.117 -0.543 0.000 1.091 161 I CA 1.681 62.661 61.300 -0.534 0.000 1.368 161 I CB -1.154 36.639 38.000 -0.344 0.000 1.058 161 I HN 0.339 nan 8.210 nan 0.000 0.410 162 Q N 1.645 121.215 119.800 -0.385 0.000 1.948 162 Q HA -0.208 4.133 4.340 0.002 0.000 0.205 162 Q C 2.403 178.095 176.000 -0.513 0.000 0.992 162 Q CA 1.983 57.562 55.803 -0.375 0.000 0.849 162 Q CB -0.303 28.341 28.738 -0.156 0.000 0.918 162 Q HN 0.252 nan 8.270 nan 0.000 0.421 163 R N -0.396 119.867 120.500 -0.395 0.000 2.132 163 R HA -0.184 4.158 4.340 0.002 0.000 0.233 163 R C 2.506 178.499 176.300 -0.512 0.000 1.125 163 R CA 2.114 57.992 56.100 -0.369 0.000 0.914 163 R CB -0.931 29.188 30.300 -0.302 0.000 0.845 163 R HN 0.347 nan 8.270 nan 0.000 0.431 164 L N 0.089 120.907 121.223 -0.675 0.000 1.997 164 L HA -0.296 4.045 4.340 0.002 0.000 0.216 164 L C 2.750 178.943 176.870 -1.128 0.000 1.074 164 L CA 1.625 55.886 54.840 -0.964 0.000 0.763 164 L CB -0.898 40.430 42.059 -1.219 0.000 0.890 164 L HN 0.380 nan 8.230 nan 0.000 0.434 165 A N -0.362 121.797 122.820 -1.102 0.000 1.873 165 A HA -0.259 4.063 4.320 0.002 0.000 0.218 165 A C 2.360 179.393 177.584 -0.918 0.000 1.193 165 A CA 2.692 53.992 52.037 -1.229 0.000 0.629 165 A CB -1.105 16.654 19.000 -2.068 0.000 0.826 165 A HN 0.430 nan 8.150 nan 0.000 0.447 166 T N 0.186 114.216 114.554 -0.872 0.000 2.569 166 T HA -0.209 4.142 4.350 0.002 0.000 0.263 166 T C 2.039 176.679 174.700 -0.101 0.000 1.074 166 T CA 1.444 63.330 62.100 -0.355 0.000 1.176 166 T CB -0.552 68.183 68.868 -0.220 0.000 0.863 166 T HN 0.627 nan 8.240 nan 0.000 0.410 167 N N -0.245 118.394 118.700 -0.101 0.000 2.036 167 N HA -0.197 4.544 4.740 0.002 0.000 0.199 167 N C 1.758 177.408 175.510 0.233 0.000 1.036 167 N CA 2.014 55.106 53.050 0.069 0.000 0.870 167 N CB -0.316 38.221 38.487 0.083 0.000 1.055 167 N HN 0.433 nan 8.380 nan 0.000 0.436 168 W N 1.187 122.448 121.300 -0.065 0.000 2.350 168 W HA 0.007 4.668 4.660 0.002 0.000 0.289 168 W C 3.050 179.614 176.519 0.075 0.000 1.215 168 W CA 0.740 58.075 57.345 -0.017 0.000 1.236 168 W CB -1.477 27.939 29.460 -0.074 0.000 1.130 168 W HN 0.106 nan 8.180 nan 0.000 0.541 169 S N 0.234 116.120 115.700 0.311 0.000 2.355 169 S HA -0.167 4.304 4.470 0.002 0.000 0.222 169 S C 1.843 176.621 174.600 0.295 0.000 1.031 169 S CA 1.568 59.978 58.200 0.351 0.000 0.993 169 S CB -0.425 63.009 63.200 0.389 0.000 0.859 169 S HN 0.154 nan 8.310 nan 0.000 0.453 170 N N 1.199 120.030 118.700 0.219 0.000 2.069 170 N HA -0.086 4.655 4.740 0.002 0.000 0.191 170 N C 1.821 177.432 175.510 0.169 0.000 1.031 170 N CA 1.973 55.124 53.050 0.169 0.000 0.852 170 N CB -1.381 37.184 38.487 0.130 0.000 1.018 170 N HN 0.437 nan 8.380 nan 0.000 0.423 171 T N 1.027 115.693 114.554 0.188 0.000 2.759 171 T HA -0.122 4.229 4.350 0.002 0.000 0.269 171 T C 1.606 176.446 174.700 0.234 0.000 1.042 171 T CA 0.750 62.954 62.100 0.174 0.000 1.140 171 T CB -0.358 68.599 68.868 0.149 0.000 0.864 171 T HN 0.166 nan 8.240 nan 0.000 0.455 172 F N 3.130 123.138 119.950 0.098 0.000 2.163 172 F HA -0.017 4.512 4.527 0.003 0.000 0.297 172 F C 1.655 177.512 175.800 0.096 0.000 1.094 172 F CA 1.052 59.104 58.000 0.087 0.000 1.290 172 F CB -0.559 38.497 39.000 0.093 0.000 1.017 172 F HN 0.261 nan 8.300 nan 0.000 0.483 173 D N -1.277 119.102 120.400 -0.034 0.000 2.363 173 D HA -0.114 4.527 4.640 0.002 0.000 0.220 173 D C 1.816 178.104 176.300 -0.020 0.000 0.994 173 D CA 0.389 54.313 54.000 -0.126 0.000 0.890 173 D CB -0.574 40.220 40.800 -0.009 0.000 0.906 173 D HN 0.229 nan 8.370 nan 0.000 0.530 174 Q N 0.493 120.316 119.800 0.038 0.000 2.163 174 Q HA 0.008 4.349 4.340 0.002 0.000 0.198 174 Q C 1.822 177.858 176.000 0.060 0.000 0.954 174 Q CA 0.887 56.725 55.803 0.059 0.000 0.851 174 Q CB -0.037 28.746 28.738 0.076 0.000 0.928 174 Q HN 0.350 nan 8.270 nan 0.000 0.459 175 K N 0.040 120.481 120.400 0.069 0.000 2.365 175 K HA 0.016 4.338 4.320 0.002 0.000 0.199 175 K C 1.901 178.542 176.600 0.068 0.000 1.045 175 K CA 0.294 56.637 56.287 0.094 0.000 0.962 175 K CB 0.146 32.749 32.500 0.172 0.000 0.759 175 K HN 0.121 nan 8.250 nan 0.000 0.469 176 L N 0.119 121.331 121.223 -0.017 0.000 2.202 176 L HA -0.036 4.305 4.340 0.002 0.000 0.205 176 L C 1.959 178.947 176.870 0.197 0.000 1.083 176 L CA 0.408 55.283 54.840 0.059 0.000 0.790 176 L CB -0.111 41.884 42.059 -0.108 0.000 0.942 176 L HN 0.170 nan 8.230 nan 0.000 0.452 177 L N -0.230 121.062 121.223 0.116 0.000 2.027 177 L HA -0.220 4.121 4.340 0.002 0.000 0.206 177 L C 2.566 179.500 176.870 0.106 0.000 1.074 177 L CA 1.355 56.255 54.840 0.100 0.000 0.745 177 L CB -0.468 41.629 42.059 0.065 0.000 0.898 177 L HN 0.315 nan 8.230 nan 0.000 0.433 178 E N 0.474 120.735 120.200 0.101 0.000 2.097 178 E HA -0.277 4.074 4.350 0.002 0.000 0.196 178 E C 1.978 178.661 176.600 0.138 0.000 1.000 178 E CA 1.461 57.921 56.400 0.099 0.000 0.804 178 E CB 0.015 29.768 29.700 0.089 0.000 0.740 178 E HN 0.485 nan 8.360 nan 0.000 0.454 179 A N 0.055 122.995 122.820 0.200 0.000 2.178 179 A HA -0.013 4.308 4.320 0.002 0.000 0.211 179 A C 0.982 178.791 177.584 0.374 0.000 1.157 179 A CA 0.593 52.814 52.037 0.307 0.000 0.780 179 A CB -0.002 19.238 19.000 0.400 0.000 0.828 179 A HN 0.366 nan 8.150 nan 0.000 0.476 180 Q N -0.324 119.621 119.800 0.241 0.000 2.406 180 Q HA -0.191 4.151 4.340 0.002 0.000 0.339 180 Q C 0.703 176.780 176.000 0.129 0.000 1.337 180 Q CA 1.025 56.906 55.803 0.129 0.000 0.985 180 Q CB -1.522 27.281 28.738 0.109 0.000 1.216 180 Q HN 0.911 nan 8.270 nan 0.000 0.415 181 W N 0.112 121.385 121.300 -0.045 0.000 2.425 181 W HA -0.061 4.600 4.660 0.003 0.000 0.277 181 W C 0.607 176.932 176.519 -0.323 0.000 1.231 181 W CA 1.212 58.242 57.345 -0.524 0.000 1.248 181 W CB -0.389 28.585 29.460 -0.811 0.000 1.117 181 W HN 0.532 nan 8.180 nan 0.000 0.568 182 D N 0.867 120.531 120.400 -1.227 0.000 2.413 182 D HA 0.097 4.738 4.640 0.002 0.000 0.237 182 D C -0.049 175.975 176.300 -0.461 0.000 1.171 182 D CA 0.213 53.547 54.000 -1.110 0.000 0.839 182 D CB -0.003 40.033 40.800 -1.273 0.000 0.950 182 D HN -0.132 nan 8.370 nan 0.000 0.499 183 T N -0.418 113.995 114.554 -0.235 0.000 2.864 183 T HA 0.179 4.530 4.350 0.002 0.000 0.289 183 T C 0.678 175.404 174.700 0.043 0.000 1.082 183 T CA -0.452 61.611 62.100 -0.062 0.000 1.009 183 T CB 2.258 71.117 68.868 -0.015 0.000 1.234 183 T HN -0.169 nan 8.240 nan 0.000 0.526 184 Q N 0.224 120.060 119.800 0.059 0.000 2.311 184 Q HA 0.008 4.349 4.340 0.002 0.000 0.203 184 Q C 1.861 177.926 176.000 0.109 0.000 0.954 184 Q CA 0.591 56.448 55.803 0.090 0.000 0.885 184 Q CB 0.149 28.926 28.738 0.065 0.000 0.963 184 Q HN 0.340 nan 8.270 nan 0.000 0.471 185 K N 0.914 121.375 120.400 0.102 0.000 2.001 185 K HA -0.151 4.170 4.320 0.002 0.000 0.214 185 K C 0.670 177.343 176.600 0.120 0.000 1.050 185 K CA 0.483 56.826 56.287 0.093 0.000 0.934 185 K CB -0.929 31.624 32.500 0.089 0.000 0.718 185 K HN 0.141 nan 8.250 nan 0.000 0.443 186 F N 1.900 121.875 119.950 0.042 0.000 2.200 186 F HA -0.193 4.336 4.527 0.002 0.000 0.438 186 F C 0.316 176.149 175.800 0.055 0.000 0.892 186 F CA -0.233 57.807 58.000 0.067 0.000 1.037 186 F CB 0.050 39.112 39.000 0.104 0.000 0.823 186 F HN 0.097 nan 8.300 nan 0.000 0.507 187 A N 5.409 127.854 122.820 -0.625 0.000 2.990 187 A HA 0.309 4.630 4.320 0.002 0.000 0.282 187 A C 1.271 178.394 177.584 -0.768 0.000 1.688 187 A CA 0.233 51.965 52.037 -0.507 0.000 1.391 187 A CB -0.954 17.868 19.000 -0.296 0.000 1.112 187 A HN 0.968 nan 8.150 nan 0.000 0.588 188 S N 0.524 115.820 115.700 -0.674 0.000 2.584 188 S HA -0.123 4.348 4.470 0.002 0.000 0.240 188 S C 1.394 175.899 174.600 -0.158 0.000 0.975 188 S CA 1.576 59.577 58.200 -0.331 0.000 0.949 188 S CB -0.542 62.743 63.200 0.141 0.000 0.761 188 S HN 0.592 nan 8.310 nan 0.000 0.536 189 T N 2.237 116.685 114.554 -0.177 0.000 2.851 189 T HA -0.005 4.347 4.350 0.002 0.000 0.262 189 T C 2.008 176.648 174.700 -0.100 0.000 1.043 189 T CA 1.299 63.339 62.100 -0.100 0.000 1.140 189 T CB -0.601 68.216 68.868 -0.084 0.000 0.872 189 T HN 0.518 nan 8.240 nan 0.000 0.446 190 S N 0.508 116.123 115.700 -0.142 0.000 2.428 190 S HA -0.173 4.299 4.470 0.002 0.000 0.240 190 S C 2.007 176.562 174.600 -0.075 0.000 1.036 190 S CA 0.837 58.973 58.200 -0.107 0.000 1.009 190 S CB -0.605 62.518 63.200 -0.129 0.000 0.803 190 S HN 0.326 nan 8.310 nan 0.000 0.486 191 V N -0.602 119.270 119.914 -0.071 0.000 0.484 191 V HA -0.419 3.702 4.120 0.002 0.000 0.092 191 V C 2.006 178.073 176.094 -0.045 0.000 2.409 191 V CA 2.179 64.451 62.300 -0.048 0.000 3.648 191 V CB -1.813 29.988 31.823 -0.038 0.000 0.935 191 V HN 0.583 nan 8.190 nan 0.000 0.977 192 G N -1.786 106.988 108.800 -0.043 0.000 2.422 192 G HA2 -0.158 3.803 3.960 0.002 0.000 0.218 192 G HA3 -0.158 3.803 3.960 0.002 0.000 0.218 192 G C 1.157 176.040 174.900 -0.028 0.000 1.140 192 G CA 1.073 46.152 45.100 -0.036 0.000 0.775 192 G HN 0.612 nan 8.290 nan 0.000 0.545 193 L N 0.707 121.913 121.223 -0.029 0.000 2.156 193 L HA 0.140 4.481 4.340 0.002 0.000 0.208 193 L C 2.762 179.650 176.870 0.030 0.000 1.095 193 L CA 1.154 55.997 54.840 0.004 0.000 0.770 193 L CB -0.343 41.704 42.059 -0.020 0.000 0.914 193 L HN 0.060 nan 8.230 nan 0.000 0.439 194 V N 0.210 120.126 119.914 0.003 0.000 2.244 194 V HA -0.283 3.838 4.120 0.002 0.000 0.244 194 V C 2.613 178.644 176.094 -0.105 0.000 1.042 194 V CA 2.058 64.344 62.300 -0.024 0.000 1.006 194 V CB -0.699 31.111 31.823 -0.021 0.000 0.641 194 V HN 0.561 nan 8.190 nan 0.000 0.446 195 K N -0.324 120.026 120.400 -0.083 0.000 2.113 195 K HA -0.281 4.040 4.320 0.002 0.000 0.208 195 K C 2.301 178.852 176.600 -0.082 0.000 1.047 195 K CA 2.162 58.394 56.287 -0.092 0.000 0.928 195 K CB -0.612 31.847 32.500 -0.068 0.000 0.716 195 K HN 0.571 nan 8.250 nan 0.000 0.446 196 C N 0.939 120.210 119.300 -0.049 0.000 2.436 196 C HA -0.040 4.421 4.460 0.002 0.000 0.277 196 C C 2.504 177.489 174.990 -0.008 0.000 1.241 196 C CA 0.695 59.698 59.018 -0.025 0.000 1.721 196 C CB -1.037 26.707 27.740 0.007 0.000 2.043 196 C HN 0.598 nan 8.230 nan 0.000 0.472 197 L N 0.508 121.735 121.223 0.007 0.000 2.191 197 L HA -0.104 4.237 4.340 0.002 0.000 0.212 197 L C 2.903 179.778 176.870 0.007 0.000 1.103 197 L CA 1.847 56.738 54.840 0.085 0.000 0.769 197 L CB -0.748 41.276 42.059 -0.058 0.000 0.908 197 L HN 0.459 nan 8.230 nan 0.000 0.438 198 R N 0.675 121.067 120.500 -0.179 0.000 2.055 198 R HA -0.123 4.218 4.340 0.002 0.000 0.226 198 R C 2.074 178.317 176.300 -0.096 0.000 1.135 198 R CA 1.281 57.278 56.100 -0.172 0.000 0.959 198 R CB -0.060 30.097 30.300 -0.238 0.000 0.854 198 R HN 0.313 nan 8.270 nan 0.000 0.431 199 E N 0.111 120.246 120.200 -0.108 0.000 2.268 199 E HA -0.151 4.200 4.350 0.002 0.000 0.195 199 E C 1.474 177.978 176.600 -0.159 0.000 0.995 199 E CA 0.507 56.844 56.400 -0.106 0.000 0.836 199 E CB -0.092 29.553 29.700 -0.091 0.000 0.763 199 E HN 0.376 nan 8.360 nan 0.000 0.491 200 N N 0.515 119.084 118.700 -0.219 0.000 2.300 200 N HA -0.093 4.648 4.740 0.002 0.000 0.179 200 N C 1.876 176.929 175.510 -0.762 0.000 1.016 200 N CA 0.838 53.611 53.050 -0.463 0.000 0.876 200 N CB 0.168 38.379 38.487 -0.460 0.000 0.979 200 N HN 0.056 nan 8.380 nan 0.000 0.432 201 S N -0.362 115.030 115.700 -0.513 0.000 2.357 201 S HA -0.055 4.416 4.470 0.002 0.000 0.221 201 S C 1.870 176.368 174.600 -0.170 0.000 1.031 201 S CA 1.646 59.639 58.200 -0.345 0.000 0.982 201 S CB -0.559 62.666 63.200 0.041 0.000 0.853 201 S HN 0.264 nan 8.310 nan 0.000 0.458 202 T N 2.478 116.977 114.554 -0.092 0.000 2.652 202 T HA -0.144 4.207 4.350 0.002 0.000 0.267 202 T C 1.850 176.589 174.700 0.064 0.000 1.039 202 T CA 1.840 63.950 62.100 0.016 0.000 1.153 202 T CB -0.492 68.376 68.868 0.001 0.000 0.863 202 T HN 0.560 nan 8.240 nan 0.000 0.428 203 K N 0.405 120.797 120.400 -0.013 0.000 2.034 203 K HA -0.163 4.159 4.320 0.002 0.000 0.214 203 K C 2.250 178.931 176.600 0.135 0.000 1.051 203 K CA 1.438 57.748 56.287 0.038 0.000 0.931 203 K CB -0.406 32.061 32.500 -0.054 0.000 0.715 203 K HN 0.149 nan 8.250 nan 0.000 0.446 204 L N 0.747 122.016 121.223 0.076 0.000 2.191 204 L HA -0.148 4.193 4.340 0.002 0.000 0.212 204 L C 2.121 179.086 176.870 0.157 0.000 1.103 204 L CA 1.548 56.477 54.840 0.147 0.000 0.769 204 L CB -0.796 41.290 42.059 0.045 0.000 0.908 204 L HN 0.319 nan 8.230 nan 0.000 0.438 205 Y N -0.014 120.287 120.300 0.001 0.000 2.220 205 Y HA -0.212 4.339 4.550 0.002 0.000 0.291 205 Y C 2.495 178.431 175.900 0.060 0.000 1.129 205 Y CA 1.797 59.912 58.100 0.026 0.000 1.161 205 Y CB -0.192 38.262 38.460 -0.010 0.000 0.997 205 Y HN 0.339 nan 8.280 nan 0.000 0.522 206 Q N -0.624 119.181 119.800 0.009 0.000 2.167 206 Q HA -0.143 4.199 4.340 0.002 0.000 0.202 206 Q C 2.150 178.101 176.000 -0.083 0.000 0.970 206 Q CA 1.366 57.119 55.803 -0.084 0.000 0.855 206 Q CB -0.266 28.488 28.738 0.026 0.000 0.911 206 Q HN 0.488 nan 8.270 nan 0.000 0.438 207 L N 0.335 121.543 121.223 -0.024 0.000 2.056 207 L HA -0.111 4.230 4.340 0.002 0.000 0.207 207 L C 2.098 178.901 176.870 -0.111 0.000 1.078 207 L CA 1.677 56.455 54.840 -0.104 0.000 0.749 207 L CB -0.487 41.433 42.059 -0.232 0.000 0.901 207 L HN -0.044 nan 8.230 nan 0.000 0.433 208 S N -0.279 115.401 115.700 -0.035 0.000 2.383 208 S HA -0.140 4.331 4.470 0.002 0.000 0.229 208 S C 1.884 176.496 174.600 0.020 0.000 1.030 208 S CA 1.704 59.957 58.200 0.087 0.000 1.002 208 S CB -0.468 62.842 63.200 0.183 0.000 0.829 208 S HN 0.487 nan 8.310 nan 0.000 0.467 209 L N 0.968 122.116 121.223 -0.125 0.000 2.291 209 L HA 0.051 4.392 4.340 0.002 0.000 0.214 209 L C 1.442 178.287 176.870 -0.042 0.000 1.120 209 L CA 0.613 55.389 54.840 -0.106 0.000 0.799 209 L CB -0.449 41.467 42.059 -0.238 0.000 0.925 209 L HN 0.286 nan 8.230 nan 0.000 0.446 210 L N -0.569 120.608 121.223 -0.077 0.000 2.711 210 L HA -0.079 4.262 4.340 0.002 0.000 0.242 210 L C 0.481 177.461 176.870 0.184 0.000 1.153 210 L CA -0.170 54.596 54.840 -0.123 0.000 0.898 210 L CB -0.722 41.269 42.059 -0.113 0.000 1.044 210 L HN 0.184 nan 8.230 nan 0.000 0.437 211 Y N 1.256 121.606 120.300 0.083 0.000 2.402 211 Y HA 0.290 4.842 4.550 0.002 0.000 0.333 211 Y C -0.074 175.984 175.900 0.262 0.000 1.076 211 Y CA -0.478 57.720 58.100 0.163 0.000 1.299 211 Y CB 0.463 38.989 38.460 0.110 0.000 1.197 211 Y HN -0.073 nan 8.280 nan 0.000 0.517 212 L N 9.989 131.133 121.223 -0.132 0.000 2.265 212 L HA 0.362 4.703 4.340 0.002 0.000 0.288 212 L C -2.042 174.597 176.870 -0.385 0.000 1.058 212 L CA -2.114 52.673 54.840 -0.089 0.000 0.809 212 L CB 1.017 43.099 42.059 0.038 0.000 1.179 212 L HN 0.583 nan 8.230 nan 0.000 0.429 213 P HA 0.109 nan 4.420 nan 0.000 0.276 213 P C -0.660 176.633 177.300 -0.011 0.000 1.235 213 P CA -0.300 62.804 63.100 0.007 0.000 0.772 213 P CB 0.951 32.740 31.700 0.149 0.000 0.871 214 L N 3.256 124.482 121.223 0.005 0.000 2.416 214 L HA 0.124 4.466 4.340 0.002 0.000 0.272 214 L C 1.285 178.154 176.870 -0.002 0.000 1.161 214 L CA -0.077 54.758 54.840 -0.009 0.000 0.845 214 L CB -0.049 42.018 42.059 0.014 0.000 1.119 214 L HN 0.302 nan 8.230 nan 0.000 0.464 215 E N 5.038 125.212 120.200 -0.043 0.000 2.265 215 E HA 0.203 4.554 4.350 0.002 0.000 0.272 215 E C -0.433 176.159 176.600 -0.012 0.000 1.067 215 E CA -0.099 56.281 56.400 -0.032 0.000 0.900 215 E CB 0.413 30.071 29.700 -0.071 0.000 1.017 215 E HN 0.506 nan 8.360 nan 0.000 0.431 236 P HA 0.392 nan 4.420 nan 0.000 0.287 236 P C -0.180 177.064 177.300 -0.093 0.000 1.270 236 P CA -0.414 62.589 63.100 -0.162 0.000 0.844 236 P CB 1.646 33.296 31.700 -0.083 0.000 1.068 237 V N 2.419 122.232 119.914 -0.169 0.000 2.529 237 V HA -0.025 4.097 4.120 0.002 0.000 0.292 237 V C 0.906 176.903 176.094 -0.161 0.000 1.028 237 V CA 0.028 62.213 62.300 -0.192 0.000 1.074 237 V CB 0.042 31.604 31.823 -0.436 0.000 0.958 237 V HN 0.372 nan 8.190 nan 0.000 0.481 238 L N 5.753 126.942 121.223 -0.057 0.000 2.449 238 L HA 0.201 4.543 4.340 0.002 0.000 0.255 238 L C 0.698 177.450 176.870 -0.196 0.000 1.167 238 L CA -0.255 54.589 54.840 0.007 0.000 1.090 238 L CB 0.107 42.299 42.059 0.221 0.000 1.385 238 L HN 0.788 nan 8.230 nan 0.000 0.411 239 W N 1.097 122.392 121.300 -0.008 0.000 2.313 239 W HA -0.288 4.373 4.660 0.002 0.000 0.293 239 W C 2.462 178.972 176.519 -0.016 0.000 1.216 239 W CA 1.342 58.681 57.345 -0.010 0.000 1.223 239 W CB -0.578 28.880 29.460 -0.004 0.000 1.138 239 W HN 0.665 nan 8.180 nan 0.000 0.535 240 N N 0.177 118.955 118.700 0.131 0.000 2.106 240 N HA -0.210 4.531 4.740 0.002 0.000 0.188 240 N C 1.567 176.926 175.510 -0.251 0.000 1.029 240 N CA 1.677 54.718 53.050 -0.014 0.000 0.848 240 N CB -1.428 36.966 38.487 -0.156 0.000 1.007 240 N HN 0.217 nan 8.380 nan 0.000 0.423 241 F N 1.293 121.082 119.950 -0.270 0.000 2.234 241 F HA 0.072 4.601 4.527 0.002 0.000 0.299 241 F C 2.701 178.224 175.800 -0.461 0.000 1.087 241 F CA 0.736 58.462 58.000 -0.458 0.000 1.340 241 F CB -0.097 38.448 39.000 -0.759 0.000 1.031 241 F HN 0.025 nan 8.300 nan 0.000 0.500 242 K N 0.291 120.469 120.400 -0.370 0.000 2.063 242 K HA -0.160 4.162 4.320 0.002 0.000 0.208 242 K C 2.214 178.838 176.600 0.040 0.000 1.048 242 K CA 1.645 57.887 56.287 -0.075 0.000 0.928 242 K CB -0.370 32.069 32.500 -0.101 0.000 0.713 242 K HN 0.163 nan 8.250 nan 0.000 0.442 243 S N 1.460 117.192 115.700 0.052 0.000 2.356 243 S HA -0.073 4.399 4.470 0.002 0.000 0.223 243 S C 1.960 176.531 174.600 -0.049 0.000 1.032 243 S CA 1.029 59.252 58.200 0.038 0.000 1.005 243 S CB -0.187 63.098 63.200 0.141 0.000 0.867 243 S HN 0.277 nan 8.310 nan 0.000 0.449 244 L N 0.857 122.017 121.223 -0.105 0.000 2.127 244 L HA -0.130 4.211 4.340 0.002 0.000 0.211 244 L C 2.545 179.666 176.870 0.420 0.000 1.089 244 L CA 1.286 56.083 54.840 -0.071 0.000 0.757 244 L CB -0.676 41.163 42.059 -0.366 0.000 0.899 244 L HN 0.332 nan 8.230 nan 0.000 0.434 245 A N -0.664 122.342 122.820 0.310 0.000 2.169 245 A HA -0.128 4.193 4.320 0.002 0.000 0.212 245 A C 2.026 179.739 177.584 0.216 0.000 1.153 245 A CA 0.679 52.853 52.037 0.228 0.000 0.756 245 A CB -0.639 18.372 19.000 0.018 0.000 0.813 245 A HN 0.468 nan 8.150 nan 0.000 0.471 246 N N 0.465 119.272 118.700 0.179 0.000 2.037 246 N HA -0.278 4.463 4.740 0.002 0.000 0.196 246 N C 1.544 177.146 175.510 0.154 0.000 1.034 246 N CA 1.840 54.976 53.050 0.144 0.000 0.861 246 N CB -0.171 38.379 38.487 0.106 0.000 1.039 246 N HN 0.445 nan 8.380 nan 0.000 0.427 247 N N 0.405 119.222 118.700 0.195 0.000 2.037 247 N HA -0.204 4.538 4.740 0.002 0.000 0.196 247 N C 1.533 177.107 175.510 0.107 0.000 1.034 247 N CA 1.210 54.348 53.050 0.148 0.000 0.861 247 N CB -0.805 37.771 38.487 0.149 0.000 1.039 247 N HN 0.326 nan 8.380 nan 0.000 0.427 248 F N 1.511 121.427 119.950 -0.056 0.000 2.091 248 F HA -0.244 4.285 4.527 0.003 0.000 0.299 248 F C 2.221 177.981 175.800 -0.067 0.000 1.103 248 F CA 1.771 59.596 58.000 -0.290 0.000 1.228 248 F CB -0.625 38.003 39.000 -0.620 0.000 0.984 248 F HN 0.076 nan 8.300 nan 0.000 0.477 249 N N 0.229 118.998 118.700 0.114 0.000 2.149 249 N HA -0.176 4.565 4.740 0.002 0.000 0.188 249 N C 1.657 177.209 175.510 0.069 0.000 1.019 249 N CA 1.901 55.006 53.050 0.091 0.000 0.857 249 N CB -0.458 38.102 38.487 0.122 0.000 0.997 249 N HN 0.248 nan 8.380 nan 0.000 0.426 250 V N 0.998 120.945 119.914 0.054 0.000 2.261 250 V HA -0.186 3.935 4.120 0.002 0.000 0.246 250 V C 2.486 178.607 176.094 0.046 0.000 1.047 250 V CA 1.718 64.050 62.300 0.053 0.000 1.015 250 V CB -0.532 31.315 31.823 0.039 0.000 0.642 250 V HN 0.353 nan 8.190 nan 0.000 0.446 251 R N -0.872 119.629 120.500 0.002 0.000 2.083 251 R HA -0.205 4.136 4.340 0.002 0.000 0.237 251 R C 2.271 178.556 176.300 -0.025 0.000 1.137 251 R CA 2.131 58.224 56.100 -0.012 0.000 0.951 251 R CB -0.718 29.576 30.300 -0.010 0.000 0.851 251 R HN 0.538 nan 8.270 nan 0.000 0.434 252 F N 1.558 121.374 119.950 -0.223 0.000 2.171 252 F HA -0.183 4.346 4.527 0.003 0.000 0.300 252 F C 2.265 178.096 175.800 0.051 0.000 1.090 252 F CA 1.589 59.519 58.000 -0.118 0.000 1.293 252 F CB -0.267 38.496 39.000 -0.395 0.000 1.013 252 F HN -0.124 nan 8.300 nan 0.000 0.486 253 T N -0.686 113.913 114.554 0.074 0.000 2.777 253 T HA -0.216 4.136 4.350 0.002 0.000 0.266 253 T C 1.530 176.222 174.700 -0.014 0.000 1.040 253 T CA 1.616 63.727 62.100 0.018 0.000 1.141 253 T CB -0.623 68.306 68.868 0.102 0.000 0.868 253 T HN 0.463 nan 8.240 nan 0.000 0.444 254 Y N 1.024 121.272 120.300 -0.086 0.000 2.163 254 Y HA -0.158 4.394 4.550 0.002 0.000 0.288 254 Y C 2.469 178.261 175.900 -0.180 0.000 1.136 254 Y CA 1.819 59.867 58.100 -0.087 0.000 1.147 254 Y CB -0.612 37.808 38.460 -0.067 0.000 0.987 254 Y HN 0.364 nan 8.280 nan 0.000 0.509 255 H N -1.200 117.611 119.070 -0.432 0.000 2.423 255 H HA -0.046 4.512 4.556 0.002 0.000 0.297 255 H C 0.176 174.805 175.328 -1.166 0.000 1.075 255 H CA 1.644 57.200 56.048 -0.821 0.000 1.342 255 H CB -0.316 28.907 29.762 -0.899 0.000 1.395 255 H HN 0.245 nan 8.280 nan 0.000 0.530 256 F N 0.694 120.267 119.950 -0.629 0.000 2.883 256 F HA 0.172 4.700 4.527 0.002 0.000 0.312 256 F C 0.924 176.410 175.800 -0.524 0.000 1.246 256 F CA -0.441 57.161 58.000 -0.663 0.000 1.238 256 F CB -0.084 38.427 39.000 -0.814 0.000 1.195 256 F HN 0.336 nan 8.300 nan 0.000 0.526 257 H N 0.252 119.163 119.070 -0.266 0.000 2.290 257 H HA 0.003 4.560 4.556 0.002 0.000 0.298 257 H C 1.585 176.845 175.328 -0.112 0.000 1.087 257 H CA 0.534 56.467 56.048 -0.191 0.000 1.291 257 H CB -1.090 28.526 29.762 -0.244 0.000 1.369 257 H HN 0.260 nan 8.280 nan 0.000 0.492 258 A N 1.450 124.393 122.820 0.206 0.000 2.567 258 A HA 0.095 4.416 4.320 0.002 0.000 0.236 258 A C 0.784 178.407 177.584 0.065 0.000 1.088 258 A CA 0.567 52.689 52.037 0.142 0.000 0.776 258 A CB -0.313 18.733 19.000 0.077 0.000 1.033 258 A HN 0.610 nan 8.150 nan 0.000 0.513 259 T N 0.979 115.560 114.554 0.045 0.000 2.667 259 T HA 0.292 4.643 4.350 0.002 0.000 0.305 259 T C 0.706 175.437 174.700 0.052 0.000 1.022 259 T CA 0.134 62.254 62.100 0.033 0.000 0.995 259 T CB 0.248 69.120 68.868 0.007 0.000 1.026 259 T HN 0.611 nan 8.240 nan 0.000 0.527 260 S N 1.038 116.762 115.700 0.040 0.000 2.489 260 S HA 0.457 4.929 4.470 0.002 0.000 0.277 260 S C 0.183 174.757 174.600 -0.043 0.000 1.230 260 S CA -0.563 57.662 58.200 0.042 0.000 1.053 260 S CB 0.998 64.233 63.200 0.058 0.000 0.955 260 S HN 0.654 nan 8.310 nan 0.000 0.488 261 S N 1.714 117.355 115.700 -0.097 0.000 2.786 261 S HA 0.492 4.963 4.470 0.002 0.000 0.307 261 S C 1.346 175.855 174.600 -0.153 0.000 1.121 261 S CA -0.506 57.628 58.200 -0.110 0.000 0.975 261 S CB 1.464 64.602 63.200 -0.103 0.000 1.220 261 S HN 0.550 nan 8.310 nan 0.000 0.550 262 S N 0.377 116.001 115.700 -0.126 0.000 2.377 262 S HA -0.050 4.421 4.470 0.002 0.000 0.223 262 S C 2.074 176.577 174.600 -0.162 0.000 1.030 262 S CA 1.824 59.947 58.200 -0.127 0.000 0.970 262 S CB -0.792 62.359 63.200 -0.082 0.000 0.830 262 S HN 0.780 nan 8.310 nan 0.000 0.473 263 S N 1.264 116.875 115.700 -0.149 0.000 2.371 263 S HA 0.028 4.500 4.470 0.002 0.000 0.224 263 S C 1.781 176.233 174.600 -0.248 0.000 1.029 263 S CA 0.696 58.804 58.200 -0.153 0.000 0.978 263 S CB -0.559 62.579 63.200 -0.103 0.000 0.833 263 S HN 0.501 nan 8.310 nan 0.000 0.466 264 K N 1.083 121.302 120.400 -0.301 0.000 2.152 264 K HA 0.048 4.369 4.320 0.002 0.000 0.206 264 K C 2.011 177.992 176.600 -1.032 0.000 1.048 264 K CA 1.540 57.533 56.287 -0.489 0.000 0.933 264 K CB -0.517 31.763 32.500 -0.367 0.000 0.721 264 K HN 0.448 nan 8.250 nan 0.000 0.447 265 I N 0.862 120.906 120.570 -0.876 0.000 2.361 265 I HA -0.246 3.925 4.170 0.002 0.000 0.251 265 I C 2.218 177.731 176.117 -1.006 0.000 1.133 265 I CA 1.107 61.802 61.300 -1.008 0.000 1.413 265 I CB -0.170 37.506 38.000 -0.540 0.000 1.073 265 I HN 0.164 nan 8.210 nan 0.000 0.424 266 E N 0.760 120.612 120.200 -0.580 0.000 2.106 266 E HA -0.153 4.198 4.350 0.002 0.000 0.192 266 E C 2.063 178.516 176.600 -0.245 0.000 0.984 266 E CA 1.455 57.658 56.400 -0.328 0.000 0.806 266 E CB -0.175 29.455 29.700 -0.117 0.000 0.750 266 E HN 0.312 nan 8.360 nan 0.000 0.458 267 T N -0.221 114.175 114.554 -0.265 0.000 2.929 267 T HA -0.120 4.232 4.350 0.002 0.000 0.271 267 T C 1.362 176.115 174.700 0.089 0.000 1.085 267 T CA 1.023 63.109 62.100 -0.023 0.000 1.125 267 T CB -0.344 68.567 68.868 0.072 0.000 0.874 267 T HN 0.338 nan 8.240 nan 0.000 0.494 268 Y N 0.042 120.192 120.300 -0.251 0.000 2.184 268 Y HA -0.014 4.537 4.550 0.002 0.000 0.290 268 Y C 2.179 178.121 175.900 0.069 0.000 1.129 268 Y CA 0.520 58.481 58.100 -0.230 0.000 1.144 268 Y CB -0.464 37.783 38.460 -0.354 0.000 0.995 268 Y HN 0.196 nan 8.280 nan 0.000 0.513 269 F N 0.026 120.091 119.950 0.191 0.000 2.171 269 F HA -0.287 4.242 4.527 0.002 0.000 0.300 269 F C 2.587 178.481 175.800 0.157 0.000 1.090 269 F CA 0.711 58.784 58.000 0.121 0.000 1.293 269 F CB -0.352 38.688 39.000 0.065 0.000 1.013 269 F HN 0.087 nan 8.300 nan 0.000 0.486 270 Q N 0.791 120.795 119.800 0.340 0.000 2.045 270 Q HA -0.257 4.085 4.340 0.002 0.000 0.206 270 Q C 1.988 178.208 176.000 0.366 0.000 0.991 270 Q CA 2.009 57.989 55.803 0.294 0.000 0.851 270 Q CB -0.793 28.088 28.738 0.238 0.000 0.911 270 Q HN 0.410 nan 8.270 nan 0.000 0.418 271 F N 0.030 120.140 119.950 0.266 0.000 2.113 271 F HA -0.140 4.388 4.527 0.003 0.000 0.297 271 F C 1.795 177.799 175.800 0.340 0.000 1.103 271 F CA 1.319 59.493 58.000 0.291 0.000 1.248 271 F CB -0.965 38.243 39.000 0.348 0.000 0.999 271 F HN 0.274 nan 8.300 nan 0.000 0.475 272 L N 1.154 122.479 121.223 0.170 0.000 1.990 272 L HA -0.293 4.048 4.340 0.002 0.000 0.213 272 L C 2.058 178.939 176.870 0.018 0.000 1.072 272 L CA 2.509 57.343 54.840 -0.010 0.000 0.755 272 L CB -1.610 40.482 42.059 0.055 0.000 0.889 272 L HN 0.247 nan 8.230 nan 0.000 0.432 273 N N -0.620 118.168 118.700 0.146 0.000 2.043 273 N HA -0.207 4.535 4.740 0.002 0.000 0.193 273 N C 1.443 177.073 175.510 0.201 0.000 1.037 273 N CA 1.744 54.914 53.050 0.199 0.000 0.851 273 N CB -0.158 38.451 38.487 0.203 0.000 1.027 273 N HN 0.470 nan 8.380 nan 0.000 0.422 274 D N -1.252 119.262 120.400 0.192 0.000 2.178 274 D HA -0.148 4.494 4.640 0.002 0.000 0.201 274 D C 1.429 177.815 176.300 0.143 0.000 0.980 274 D CA 0.685 54.796 54.000 0.186 0.000 0.842 274 D CB -0.238 40.706 40.800 0.239 0.000 0.948 274 D HN 0.385 nan 8.370 nan 0.000 0.472 275 Y N 0.955 121.214 120.300 -0.068 0.000 2.163 275 Y HA -0.080 4.471 4.550 0.002 0.000 0.288 275 Y C 1.992 177.840 175.900 -0.086 0.000 1.136 275 Y CA 1.268 59.287 58.100 -0.135 0.000 1.147 275 Y CB -0.198 38.053 38.460 -0.349 0.000 0.987 275 Y HN -0.085 nan 8.280 nan 0.000 0.509 276 L N -0.474 120.750 121.223 0.001 0.000 2.017 276 L HA -0.218 4.123 4.340 0.002 0.000 0.208 276 L C 2.763 179.659 176.870 0.043 0.000 1.073 276 L CA 1.189 55.949 54.840 -0.134 0.000 0.745 276 L CB -1.133 40.638 42.059 -0.480 0.000 0.894 276 L HN 0.309 nan 8.230 nan 0.000 0.432 277 A N -0.448 122.519 122.820 0.245 0.000 2.032 277 A HA -0.282 4.040 4.320 0.002 0.000 0.221 277 A C 2.237 179.945 177.584 0.207 0.000 1.165 277 A CA 2.203 54.422 52.037 0.302 0.000 0.645 277 A CB -0.459 18.676 19.000 0.224 0.000 0.807 277 A HN 0.551 nan 8.150 nan 0.000 0.453 278 E N -1.662 118.579 120.200 0.067 0.000 2.415 278 E HA -0.004 4.347 4.350 0.002 0.000 0.197 278 E C 0.701 177.210 176.600 -0.150 0.000 1.007 278 E CA 0.385 56.800 56.400 0.024 0.000 0.890 278 E CB 0.163 29.834 29.700 -0.048 0.000 0.891 278 E HN 0.592 nan 8.360 nan 0.000 0.496 279 N N 0.029 118.547 118.700 -0.302 0.000 2.168 279 N HA -0.015 4.726 4.740 0.002 0.000 0.216 279 N C 1.446 176.795 175.510 -0.268 0.000 1.259 279 N CA -0.039 52.755 53.050 -0.427 0.000 0.902 279 N CB 0.395 38.478 38.487 -0.674 0.000 1.079 279 N HN 0.098 nan 8.380 nan 0.000 0.507 280 L N 2.050 123.203 121.223 -0.115 0.000 1.971 280 L HA -0.198 4.143 4.340 0.002 0.000 0.215 280 L C 2.400 179.243 176.870 -0.044 0.000 1.072 280 L CA 1.927 56.741 54.840 -0.043 0.000 0.758 280 L CB -1.193 40.821 42.059 -0.075 0.000 0.889 280 L HN 0.279 nan 8.230 nan 0.000 0.433 281 Y N -0.408 119.941 120.300 0.082 0.000 2.165 281 Y HA -0.216 4.336 4.550 0.002 0.000 0.286 281 Y C 2.477 178.426 175.900 0.081 0.000 1.155 281 Y CA 1.934 60.088 58.100 0.090 0.000 1.164 281 Y CB -1.117 37.397 38.460 0.090 0.000 0.978 281 Y HN 0.181 nan 8.280 nan 0.000 0.513 282 K N 0.017 119.706 120.400 -1.186 0.000 2.147 282 K HA -0.183 4.138 4.320 0.002 0.000 0.205 282 K C 2.280 178.792 176.600 -0.147 0.000 1.049 282 K CA 1.330 57.246 56.287 -0.618 0.000 0.936 282 K CB -0.548 31.573 32.500 -0.631 0.000 0.722 282 K HN 0.583 nan 8.250 nan 0.000 0.446 283 C N 0.499 119.723 119.300 -0.127 0.000 2.489 283 C HA 0.016 4.477 4.460 0.002 0.000 0.279 283 C C 2.439 177.413 174.990 -0.026 0.000 1.266 283 C CA 0.345 59.263 59.018 -0.166 0.000 1.707 283 C CB -0.740 26.633 27.740 -0.612 0.000 2.059 283 C HN 0.488 nan 8.230 nan 0.000 0.481 284 I N 1.610 122.173 120.570 -0.010 0.000 2.264 284 I HA -0.194 3.978 4.170 0.002 0.000 0.248 284 I C 2.292 178.508 176.117 0.165 0.000 1.111 284 I CA 1.466 62.825 61.300 0.098 0.000 1.382 284 I CB -0.633 37.438 38.000 0.118 0.000 1.060 284 I HN 0.487 nan 8.210 nan 0.000 0.418 285 N N 1.064 119.847 118.700 0.139 0.000 2.062 285 N HA -0.097 4.645 4.740 0.002 0.000 0.191 285 N C 1.971 177.548 175.510 0.113 0.000 1.042 285 N CA 1.489 54.653 53.050 0.190 0.000 0.845 285 N CB -0.251 38.344 38.487 0.180 0.000 1.024 285 N HN 0.301 nan 8.380 nan 0.000 0.424 286 I N -0.146 120.385 120.570 -0.065 0.000 2.226 286 I HA -0.215 3.956 4.170 0.002 0.000 0.245 286 I C 1.008 176.772 176.117 -0.587 0.000 1.100 286 I CA 1.212 62.280 61.300 -0.386 0.000 1.374 286 I CB -0.179 37.365 38.000 -0.760 0.000 1.057 286 I HN -0.001 nan 8.210 nan 0.000 0.413 287 F N -0.708 119.122 119.950 -0.199 0.000 2.695 287 F HA 0.104 4.632 4.527 0.002 0.000 0.303 287 F C 1.025 176.735 175.800 -0.150 0.000 1.091 287 F CA -0.644 57.223 58.000 -0.222 0.000 1.300 287 F CB -0.918 37.882 39.000 -0.333 0.000 1.071 287 F HN 0.128 nan 8.300 nan 0.000 0.578 288 H N -0.857 118.227 119.070 0.023 0.000 2.848 288 H HA 0.263 4.821 4.556 0.002 0.000 0.317 288 H C -0.684 174.641 175.328 -0.005 0.000 1.046 288 H CA -0.237 55.821 56.048 0.018 0.000 1.470 288 H CB 0.445 30.226 29.762 0.032 0.000 1.483 288 H HN -0.046 nan 8.280 nan 0.000 0.548 289 D N 3.555 123.938 120.400 -0.030 0.000 2.400 289 D HA 0.087 4.728 4.640 0.002 0.000 0.272 289 D C -0.186 176.137 176.300 0.039 0.000 1.220 289 D CA -0.455 53.507 54.000 -0.064 0.000 0.897 289 D CB 0.484 41.248 40.800 -0.060 0.000 1.134 289 D HN 0.697 nan 8.370 nan 0.000 0.507 290 D N 0.430 120.892 120.400 0.103 0.000 2.182 290 D HA -0.136 4.505 4.640 0.002 0.000 0.201 290 D C 2.017 178.363 176.300 0.077 0.000 0.986 290 D CA 0.902 54.968 54.000 0.110 0.000 0.847 290 D CB 0.115 40.994 40.800 0.133 0.000 0.942 290 D HN 0.456 nan 8.370 nan 0.000 0.467 291 C N 0.790 120.122 119.300 0.054 0.000 2.413 291 C HA -0.075 4.386 4.460 0.002 0.000 0.276 291 C C 1.708 176.737 174.990 0.065 0.000 1.236 291 C CA 0.340 59.388 59.018 0.049 0.000 1.735 291 C CB -0.930 26.828 27.740 0.030 0.000 2.031 291 C HN 0.368 nan 8.230 nan 0.000 0.474 292 N N 0.293 119.036 118.700 0.072 0.000 2.276 292 N HA 0.233 4.975 4.740 0.002 0.000 0.212 292 N C 1.339 176.956 175.510 0.177 0.000 1.127 292 N CA 1.004 54.121 53.050 0.112 0.000 0.834 292 N CB 0.699 39.251 38.487 0.107 0.000 1.014 292 N HN 0.746 nan 8.380 nan 0.000 0.491 293 G N 0.704 109.592 108.800 0.145 0.000 2.308 293 G HA2 -0.245 3.717 3.960 0.002 0.000 0.221 293 G HA3 -0.245 3.717 3.960 0.002 0.000 0.221 293 G C 0.178 175.133 174.900 0.092 0.000 1.032 293 G CA -0.470 44.739 45.100 0.182 0.000 0.623 293 G HN 0.302 nan 8.290 nan 0.000 0.506 294 L N 3.636 124.852 121.223 -0.012 0.000 2.388 294 L HA 0.274 4.615 4.340 0.002 0.000 0.252 294 L C 0.813 177.722 176.870 0.065 0.000 1.357 294 L CA 0.006 54.801 54.840 -0.076 0.000 1.214 294 L CB -0.621 41.341 42.059 -0.162 0.000 1.392 294 L HN 0.204 nan 8.230 nan 0.000 0.432 295 T N -0.541 114.066 114.554 0.087 0.000 2.828 295 T HA 0.073 4.424 4.350 0.002 0.000 0.290 295 T C 1.360 176.128 174.700 0.114 0.000 1.019 295 T CA -0.619 61.547 62.100 0.109 0.000 1.031 295 T CB 1.649 70.569 68.868 0.086 0.000 1.001 295 T HN 0.396 nan 8.240 nan 0.000 0.531 296 K N 1.259 121.702 120.400 0.072 0.000 2.074 296 K HA -0.126 4.196 4.320 0.002 0.000 0.209 296 K C -0.856 175.806 176.600 0.104 0.000 1.048 296 K CA 1.628 57.945 56.287 0.051 0.000 0.926 296 K CB -0.788 31.680 32.500 -0.053 0.000 0.713 296 K HN 0.425 nan 8.250 nan 0.000 0.444 297 P HA -0.085 nan 4.420 nan 0.000 0.218 297 P C 1.192 178.577 177.300 0.141 0.000 1.152 297 P CA 0.815 63.974 63.100 0.099 0.000 0.826 297 P CB 0.165 31.905 31.700 0.066 0.000 0.790 298 V N -0.245 119.737 119.914 0.113 0.000 2.332 298 V HA -0.238 3.884 4.120 0.002 0.000 0.248 298 V C 2.302 178.435 176.094 0.065 0.000 1.055 298 V CA 1.687 64.040 62.300 0.088 0.000 1.038 298 V CB -1.022 30.852 31.823 0.085 0.000 0.651 298 V HN 0.083 nan 8.190 nan 0.000 0.450 299 I N -0.902 119.768 120.570 0.166 0.000 2.277 299 I HA -0.179 3.992 4.170 0.002 0.000 0.243 299 I C 2.613 178.830 176.117 0.167 0.000 1.094 299 I CA 1.453 62.908 61.300 0.259 0.000 1.393 299 I CB -0.657 37.502 38.000 0.265 0.000 1.078 299 I HN 0.425 nan 8.210 nan 0.000 0.417 300 H N 1.662 120.781 119.070 0.081 0.000 2.289 300 H HA -0.276 4.281 4.556 0.002 0.000 0.296 300 H C 2.038 177.392 175.328 0.043 0.000 1.091 300 H CA 2.451 58.544 56.048 0.075 0.000 1.274 300 H CB -0.065 29.750 29.762 0.089 0.000 1.364 300 H HN 0.454 nan 8.280 nan 0.000 0.490 301 E N -0.374 120.002 120.200 0.293 0.000 2.072 301 E HA -0.163 4.188 4.350 0.002 0.000 0.190 301 E C 2.198 178.799 176.600 0.002 0.000 0.982 301 E CA 0.724 57.288 56.400 0.274 0.000 0.803 301 E CB 0.150 30.029 29.700 0.298 0.000 0.755 301 E HN 0.376 nan 8.360 nan 0.000 0.453 302 Q N 0.068 119.710 119.800 -0.263 0.000 2.079 302 Q HA -0.132 4.210 4.340 0.002 0.000 0.200 302 Q C 1.945 177.676 176.000 -0.449 0.000 0.974 302 Q CA 1.031 56.470 55.803 -0.607 0.000 0.840 302 Q CB -0.715 26.973 28.738 -1.750 0.000 0.898 302 Q HN 0.336 nan 8.270 nan 0.000 0.430 303 F N 1.262 120.910 119.950 -0.502 0.000 2.065 303 F HA -0.212 4.317 4.527 0.002 0.000 0.298 303 F C 2.085 177.707 175.800 -0.297 0.000 1.112 303 F CA 1.145 59.043 58.000 -0.171 0.000 1.212 303 F CB -0.520 38.431 39.000 -0.082 0.000 0.975 303 F HN -0.003 nan 8.300 nan 0.000 0.476 304 I N 0.124 120.363 120.570 -0.551 0.000 2.127 304 I HA -0.396 3.776 4.170 0.002 0.000 0.241 304 I C 2.322 178.005 176.117 -0.723 0.000 1.075 304 I CA 1.878 62.648 61.300 -0.884 0.000 1.334 304 I CB -0.811 36.392 38.000 -1.329 0.000 1.040 304 I HN 0.243 nan 8.210 nan 0.000 0.405 305 N N 0.856 119.265 118.700 -0.486 0.000 2.037 305 N HA -0.269 4.472 4.740 0.002 0.000 0.196 305 N C 1.857 177.134 175.510 -0.389 0.000 1.034 305 N CA 2.084 54.948 53.050 -0.309 0.000 0.861 305 N CB -0.388 38.011 38.487 -0.148 0.000 1.039 305 N HN 0.310 nan 8.380 nan 0.000 0.427 306 Y N -0.569 119.515 120.300 -0.360 0.000 2.395 306 Y HA 0.074 4.625 4.550 0.002 0.000 0.293 306 Y C 2.330 177.978 175.900 -0.420 0.000 1.123 306 Y CA 0.442 58.362 58.100 -0.299 0.000 1.227 306 Y CB -0.298 38.075 38.460 -0.144 0.000 1.012 306 Y HN -0.067 nan 8.280 nan 0.000 0.552 307 V N -0.003 119.575 119.914 -0.560 0.000 2.407 307 V HA -0.296 3.825 4.120 0.002 0.000 0.248 307 V C 2.177 177.797 176.094 -0.790 0.000 1.055 307 V CA 1.648 63.398 62.300 -0.916 0.000 1.049 307 V CB -0.589 30.373 31.823 -1.436 0.000 0.662 307 V HN 0.395 nan 8.190 nan 0.000 0.455 308 L N -0.862 119.990 121.223 -0.619 0.000 2.131 308 L HA -0.181 4.160 4.340 0.002 0.000 0.210 308 L C 2.708 179.359 176.870 -0.365 0.000 1.092 308 L CA 1.021 55.582 54.840 -0.465 0.000 0.759 308 L CB -0.564 41.267 42.059 -0.380 0.000 0.903 308 L HN 0.307 nan 8.230 nan 0.000 0.435 309 Q N 0.104 119.703 119.800 -0.335 0.000 2.062 309 Q HA -0.216 4.125 4.340 0.002 0.000 0.209 309 Q C -0.106 175.756 176.000 -0.230 0.000 0.996 309 Q CA 2.157 57.803 55.803 -0.261 0.000 0.859 309 Q CB -1.711 26.887 28.738 -0.234 0.000 0.920 309 Q HN 0.356 nan 8.270 nan 0.000 0.415 310 P HA -0.136 nan 4.420 nan 0.000 0.218 310 P C 1.237 178.287 177.300 -0.416 0.000 1.146 310 P CA 1.167 64.124 63.100 -0.237 0.000 0.813 310 P CB -0.133 31.440 31.700 -0.213 0.000 0.778 311 I N -1.443 118.794 120.570 -0.556 0.000 2.480 311 I HA -0.124 4.047 4.170 0.002 0.000 0.251 311 I C 2.466 178.452 176.117 -0.218 0.000 1.124 311 I CA 0.954 61.957 61.300 -0.496 0.000 1.444 311 I CB -0.372 37.401 38.000 -0.379 0.000 1.098 311 I HN -0.137 nan 8.210 nan 0.000 0.428 312 R N 0.900 121.284 120.500 -0.194 0.000 2.081 312 R HA -0.153 4.188 4.340 0.002 0.000 0.235 312 R C 1.760 177.985 176.300 -0.124 0.000 1.131 312 R CA 1.522 57.538 56.100 -0.140 0.000 0.960 312 R CB -0.380 29.826 30.300 -0.155 0.000 0.856 312 R HN 0.369 nan 8.270 nan 0.000 0.436 313 D N 0.495 120.821 120.400 -0.123 0.000 2.144 313 D HA -0.120 4.522 4.640 0.002 0.000 0.200 313 D C 1.816 178.071 176.300 -0.075 0.000 0.978 313 D CA 0.834 54.782 54.000 -0.087 0.000 0.833 313 D CB -0.020 40.744 40.800 -0.061 0.000 0.961 313 D HN -0.038 nan 8.370 nan 0.000 0.470 314 K N 1.048 121.409 120.400 -0.064 0.000 2.002 314 K HA -0.067 4.254 4.320 0.002 0.000 0.209 314 K C 2.151 178.721 176.600 -0.051 0.000 1.048 314 K CA 0.510 56.774 56.287 -0.038 0.000 0.930 314 K CB -0.624 31.847 32.500 -0.050 0.000 0.714 314 K HN 0.023 nan 8.250 nan 0.000 0.438 315 V N 1.360 121.246 119.914 -0.047 0.000 2.307 315 V HA -0.176 3.946 4.120 0.002 0.000 0.245 315 V C 2.696 178.693 176.094 -0.162 0.000 1.045 315 V CA 1.897 64.159 62.300 -0.063 0.000 1.024 315 V CB -0.491 31.307 31.823 -0.041 0.000 0.651 315 V HN 0.373 nan 8.190 nan 0.000 0.449 316 R N 0.654 121.051 120.500 -0.171 0.000 2.120 316 R HA -0.177 4.164 4.340 0.002 0.000 0.234 316 R C 2.546 178.614 176.300 -0.387 0.000 1.123 316 R CA 1.853 57.815 56.100 -0.231 0.000 0.975 316 R CB -0.289 29.920 30.300 -0.151 0.000 0.866 316 R HN 0.691 nan 8.270 nan 0.000 0.446 317 S N -1.072 114.437 115.700 -0.320 0.000 2.383 317 S HA -0.083 4.388 4.470 0.002 0.000 0.227 317 S C 1.746 175.945 174.600 -0.668 0.000 1.026 317 S CA 1.603 59.557 58.200 -0.410 0.000 0.981 317 S CB -0.183 62.927 63.200 -0.149 0.000 0.818 317 S HN 0.308 nan 8.310 nan 0.000 0.472 318 T N 2.184 116.479 114.554 -0.432 0.000 3.035 318 T HA 0.231 4.582 4.350 0.002 0.000 0.259 318 T C 1.529 175.986 174.700 -0.405 0.000 1.078 318 T CA 0.561 62.457 62.100 -0.340 0.000 1.132 318 T CB -0.461 68.308 68.868 -0.164 0.000 0.900 318 T HN 0.200 nan 8.240 nan 0.000 0.480 319 L N 2.537 123.488 121.223 -0.453 0.000 2.026 319 L HA -0.180 4.162 4.340 0.002 0.000 0.231 319 L C 1.090 177.822 176.870 -0.230 0.000 1.095 319 L CA 1.822 56.458 54.840 -0.340 0.000 0.810 319 L CB -1.063 40.790 42.059 -0.344 0.000 0.909 319 L HN 0.513 nan 8.230 nan 0.000 0.444 320 F N 0.086 119.998 119.950 -0.063 0.000 2.626 320 F HA 0.295 4.823 4.527 0.002 0.000 0.374 320 F C 1.118 176.896 175.800 -0.036 0.000 1.184 320 F CA 0.315 58.287 58.000 -0.047 0.000 1.339 320 F CB -1.278 37.702 39.000 -0.034 0.000 1.730 320 F HN 0.414 nan 8.300 nan 0.000 0.650 321 Q N 0.330 120.196 119.800 0.111 0.000 1.638 321 Q HA 0.145 4.487 4.340 0.002 0.000 0.156 321 Q C -1.134 174.871 176.000 0.009 0.000 0.781 321 Q CA -0.110 55.742 55.803 0.083 0.000 0.770 321 Q CB -0.017 28.767 28.738 0.076 0.000 1.217 321 Q HN 0.612 nan 8.270 nan 0.000 0.362 322 N N -0.232 118.457 118.700 -0.020 0.000 2.653 322 N HA 0.330 5.071 4.740 0.002 0.000 0.294 322 N C -1.596 173.883 175.510 -0.051 0.000 1.305 322 N CA -0.613 52.409 53.050 -0.046 0.000 0.827 322 N CB 1.090 39.529 38.487 -0.080 0.000 1.415 322 N HN 0.036 nan 8.380 nan 0.000 0.546 323 D N 0.729 121.089 120.400 -0.067 0.000 2.255 323 D HA 0.156 4.797 4.640 0.002 0.000 0.249 323 D C 0.707 176.916 176.300 -0.151 0.000 1.078 323 D CA -0.160 53.782 54.000 -0.097 0.000 0.896 323 D CB 1.378 42.132 40.800 -0.077 0.000 1.194 323 D HN 0.383 nan 8.370 nan 0.000 0.429 324 L N 1.342 122.409 121.223 -0.260 0.000 2.622 324 L HA -0.085 4.256 4.340 0.002 0.000 0.233 324 L C 1.955 178.642 176.870 -0.305 0.000 1.156 324 L CA 0.742 55.416 54.840 -0.277 0.000 0.866 324 L CB -0.228 41.595 42.059 -0.392 0.000 0.980 324 L HN 0.163 nan 8.230 nan 0.000 0.448 325 K N -0.608 119.618 120.400 -0.289 0.000 2.418 325 K HA 0.037 4.358 4.320 0.002 0.000 0.195 325 K C 0.969 177.602 176.600 0.055 0.000 1.035 325 K CA 0.711 56.964 56.287 -0.058 0.000 1.003 325 K CB 0.180 32.680 32.500 0.000 0.000 0.793 325 K HN 0.209 nan 8.250 nan 0.000 0.494 326 T N 0.781 115.325 114.554 -0.016 0.000 3.215 326 T HA 0.186 4.537 4.350 0.002 0.000 0.271 326 T C 1.093 175.748 174.700 -0.076 0.000 1.012 326 T CA -0.187 61.901 62.100 -0.021 0.000 0.899 326 T CB 0.288 69.129 68.868 -0.046 0.000 1.089 326 T HN 0.088 nan 8.240 nan 0.000 0.552 327 L N 0.419 121.589 121.223 -0.089 0.000 2.249 327 L HA 0.183 4.525 4.340 0.002 0.000 0.207 327 L C 1.921 178.604 176.870 -0.311 0.000 1.090 327 L CA 0.505 55.174 54.840 -0.286 0.000 0.802 327 L CB -0.027 41.720 42.059 -0.520 0.000 0.947 327 L HN 0.245 nan 8.230 nan 0.000 0.453 328 I N -0.203 120.290 120.570 -0.128 0.000 2.394 328 I HA -0.216 3.956 4.170 0.002 0.000 0.251 328 I C 2.472 178.523 176.117 -0.110 0.000 1.136 328 I CA 1.145 62.352 61.300 -0.155 0.000 1.425 328 I CB -0.551 37.341 38.000 -0.181 0.000 1.079 328 I HN 0.094 nan 8.210 nan 0.000 0.425 329 V N 0.638 120.516 119.914 -0.060 0.000 2.407 329 V HA -0.246 3.875 4.120 0.002 0.000 0.248 329 V C 2.449 178.505 176.094 -0.062 0.000 1.055 329 V CA 1.313 63.590 62.300 -0.039 0.000 1.049 329 V CB -0.779 31.031 31.823 -0.022 0.000 0.662 329 V HN 0.324 nan 8.190 nan 0.000 0.455 330 L N 0.022 121.178 121.223 -0.111 0.000 2.044 330 L HA -0.038 4.304 4.340 0.002 0.000 0.205 330 L C 2.214 179.027 176.870 -0.096 0.000 1.075 330 L CA 1.674 56.446 54.840 -0.112 0.000 0.747 330 L CB -0.519 41.431 42.059 -0.183 0.000 0.903 330 L HN 0.178 nan 8.230 nan 0.000 0.435 331 I N -0.223 120.252 120.570 -0.158 0.000 2.145 331 I HA -0.403 3.769 4.170 0.002 0.000 0.244 331 I C 2.665 178.769 176.117 -0.022 0.000 1.075 331 I CA 1.818 63.060 61.300 -0.096 0.000 1.332 331 I CB -0.623 37.301 38.000 -0.127 0.000 1.033 331 I HN 0.541 nan 8.210 nan 0.000 0.410 332 S N 0.505 116.188 115.700 -0.027 0.000 2.356 332 S HA -0.275 4.197 4.470 0.002 0.000 0.223 332 S C 1.906 176.516 174.600 0.017 0.000 1.032 332 S CA 1.208 59.407 58.200 -0.002 0.000 1.005 332 S CB -0.693 62.505 63.200 -0.003 0.000 0.867 332 S HN 0.510 nan 8.310 nan 0.000 0.449 333 Q N 0.907 120.732 119.800 0.041 0.000 2.096 333 Q HA -0.002 4.339 4.340 0.002 0.000 0.204 333 Q C 2.325 178.381 176.000 0.092 0.000 0.982 333 Q CA 1.757 57.636 55.803 0.127 0.000 0.850 333 Q CB -0.555 28.298 28.738 0.191 0.000 0.901 333 Q HN 0.633 nan 8.270 nan 0.000 0.422 334 I N 0.323 120.925 120.570 0.054 0.000 2.423 334 I HA -0.261 3.911 4.170 0.002 0.000 0.254 334 I C 2.169 178.247 176.117 -0.063 0.000 1.151 334 I CA 0.539 61.833 61.300 -0.010 0.000 1.421 334 I CB -0.158 37.843 38.000 0.001 0.000 1.079 334 I HN 0.215 nan 8.210 nan 0.000 0.431 335 L N 1.099 122.305 121.223 -0.030 0.000 2.068 335 L HA 0.004 4.345 4.340 0.002 0.000 0.204 335 L C 2.587 179.421 176.870 -0.060 0.000 1.076 335 L CA 1.944 56.764 54.840 -0.033 0.000 0.753 335 L CB -0.736 41.319 42.059 -0.006 0.000 0.910 335 L HN 0.140 nan 8.230 nan 0.000 0.439 336 A N -1.685 121.105 122.820 -0.050 0.000 2.024 336 A HA -0.184 4.137 4.320 0.002 0.000 0.220 336 A C 2.186 179.689 177.584 -0.135 0.000 1.164 336 A CA 2.211 54.214 52.037 -0.056 0.000 0.643 336 A CB -1.029 17.969 19.000 -0.003 0.000 0.806 336 A HN 0.533 nan 8.150 nan 0.000 0.451 337 T N -0.535 113.865 114.554 -0.256 0.000 2.809 337 T HA -0.079 4.272 4.350 0.002 0.000 0.260 337 T C 1.614 176.174 174.700 -0.233 0.000 1.039 337 T CA 1.079 62.918 62.100 -0.436 0.000 1.141 337 T CB -0.316 68.048 68.868 -0.839 0.000 0.869 337 T HN 0.414 nan 8.240 nan 0.000 0.437 338 D N 0.913 121.214 120.400 -0.166 0.000 2.182 338 D HA -0.085 4.557 4.640 0.002 0.000 0.201 338 D C 2.111 178.365 176.300 -0.078 0.000 0.986 338 D CA 1.079 55.017 54.000 -0.103 0.000 0.847 338 D CB -0.023 40.722 40.800 -0.092 0.000 0.942 338 D HN 0.361 nan 8.370 nan 0.000 0.467 339 K N 0.365 120.718 120.400 -0.079 0.000 2.044 339 K HA -0.088 4.233 4.320 0.002 0.000 0.204 339 K C 1.961 178.532 176.600 -0.049 0.000 1.049 339 K CA 0.578 56.830 56.287 -0.059 0.000 0.945 339 K CB 0.077 32.548 32.500 -0.049 0.000 0.724 339 K HN -0.088 nan 8.250 nan 0.000 0.440 340 N N 0.959 119.622 118.700 -0.061 0.000 2.069 340 N HA -0.166 4.575 4.740 0.002 0.000 0.191 340 N C 1.558 177.061 175.510 -0.012 0.000 1.031 340 N CA 1.048 54.070 53.050 -0.046 0.000 0.852 340 N CB -0.084 38.368 38.487 -0.058 0.000 1.018 340 N HN 0.104 nan 8.380 nan 0.000 0.423 341 L N 0.851 122.082 121.223 0.014 0.000 2.633 341 L HA -0.009 4.333 4.340 0.002 0.000 0.235 341 L C 1.720 178.702 176.870 0.188 0.000 1.163 341 L CA 0.572 55.508 54.840 0.160 0.000 0.859 341 L CB -0.402 41.735 42.059 0.130 0.000 0.973 341 L HN 0.233 nan 8.230 nan 0.000 0.451 342 L N -2.129 119.123 121.223 0.049 0.000 2.470 342 L HA 0.164 4.505 4.340 0.002 0.000 0.219 342 L C 1.823 178.708 176.870 0.025 0.000 1.071 342 L CA 0.997 55.830 54.840 -0.011 0.000 0.850 342 L CB -0.247 41.756 42.059 -0.094 0.000 1.040 342 L HN 0.146 nan 8.230 nan 0.000 0.475 343 N N -0.933 117.764 118.700 -0.006 0.000 2.132 343 N HA -0.080 4.661 4.740 0.002 0.000 0.187 343 N C 1.798 177.247 175.510 -0.103 0.000 1.038 343 N CA 1.568 54.605 53.050 -0.021 0.000 0.846 343 N CB -0.306 38.152 38.487 -0.049 0.000 1.012 343 N HN 0.143 nan 8.380 nan 0.000 0.429 344 S N 0.066 115.611 115.700 -0.260 0.000 2.365 344 S HA -0.061 4.410 4.470 0.002 0.000 0.221 344 S C 0.058 174.176 174.600 -0.804 0.000 1.037 344 S CA 1.279 59.065 58.200 -0.689 0.000 1.060 344 S CB -0.382 62.141 63.200 -1.128 0.000 0.974 344 S HN 0.255 nan 8.310 nan 0.000 0.427 345 F N -0.339 119.683 119.950 0.119 0.000 2.507 345 F HA 0.417 4.946 4.527 0.002 0.000 0.325 345 F C -0.057 175.883 175.800 0.235 0.000 1.116 345 F CA -1.186 56.944 58.000 0.215 0.000 0.930 345 F CB 0.534 39.670 39.000 0.227 0.000 1.146 345 F HN -0.042 nan 8.300 nan 0.000 0.447 346 H N 2.448 121.620 119.070 0.170 0.000 3.981 346 H HA 0.011 4.568 4.556 0.002 0.000 0.208 346 H C -1.057 174.237 175.328 -0.056 0.000 1.611 346 H CA -0.116 55.921 56.048 -0.018 0.000 1.470 346 H CB -0.857 28.819 29.762 -0.142 0.000 1.777 346 H HN 0.461 nan 8.280 nan 0.000 0.727 347 Y N 3.905 124.211 120.300 0.011 0.000 2.595 347 Y HA 0.173 4.724 4.550 0.002 0.000 0.347 347 Y C -0.717 175.133 175.900 -0.083 0.000 1.025 347 Y CA -1.424 56.678 58.100 0.004 0.000 1.295 347 Y CB -0.349 38.154 38.460 0.072 0.000 1.147 347 Y HN 0.412 nan 8.280 nan 0.000 0.515 348 H N 3.507 122.290 119.070 -0.478 0.000 2.690 348 H HA 0.808 5.365 4.556 0.002 0.000 0.280 348 H C -0.007 174.922 175.328 -0.665 0.000 1.138 348 H CA -1.459 54.280 56.048 -0.515 0.000 1.241 348 H CB 0.546 30.138 29.762 -0.284 0.000 1.394 348 H HN 0.758 nan 8.280 nan 0.000 0.489 349 G N 1.321 109.630 108.800 -0.819 0.000 2.559 349 G HA2 0.342 4.303 3.960 0.002 0.000 0.291 349 G HA3 0.342 4.303 3.960 0.002 0.000 0.291 349 G C -1.457 173.188 174.900 -0.425 0.000 1.424 349 G CA -1.332 43.423 45.100 -0.576 0.000 0.786 349 G HN 0.629 nan 8.290 nan 0.000 0.485 350 L N 1.032 122.114 121.223 -0.235 0.000 2.628 350 L HA 0.479 4.820 4.340 0.002 0.000 0.274 350 L C 0.763 177.533 176.870 -0.167 0.000 1.209 350 L CA 1.262 55.934 54.840 -0.280 0.000 0.930 350 L CB 0.189 42.096 42.059 -0.253 0.000 1.183 350 L HN 0.853 nan 8.230 nan 0.000 0.492 351 G N 5.481 114.147 108.800 -0.222 0.000 2.845 351 G HA2 0.471 4.432 3.960 0.002 0.000 0.282 351 G HA3 0.471 4.432 3.960 0.002 0.000 0.282 351 G C 0.304 175.108 174.900 -0.159 0.000 1.546 351 G CA -0.014 45.019 45.100 -0.112 0.000 1.089 351 G HN 0.793 nan 8.290 nan 0.000 0.558 352 L N 1.252 122.383 121.223 -0.154 0.000 4.252 352 L HA -0.343 3.998 4.340 0.002 0.000 0.370 352 L C 2.533 179.339 176.870 -0.107 0.000 0.743 352 L CA 1.638 56.411 54.840 -0.112 0.000 2.767 352 L CB -1.423 40.601 42.059 -0.057 0.000 0.809 352 L HN 0.435 nan 8.230 nan 0.000 0.696 353 V N 0.416 120.254 119.914 -0.127 0.000 2.527 353 V HA -0.282 3.840 4.120 0.002 0.000 0.255 353 V C 2.274 178.377 176.094 0.015 0.000 1.081 353 V CA 2.424 64.706 62.300 -0.030 0.000 1.092 353 V CB -0.680 31.097 31.823 -0.078 0.000 0.673 353 V HN 0.757 nan 8.190 nan 0.000 0.470 354 S N 0.670 116.287 115.700 -0.138 0.000 2.603 354 S HA 0.025 4.496 4.470 0.002 0.000 0.220 354 S C 1.665 176.249 174.600 -0.028 0.000 0.967 354 S CA 0.869 59.045 58.200 -0.040 0.000 0.920 354 S CB -0.347 62.770 63.200 -0.138 0.000 0.773 354 S HN 0.631 nan 8.310 nan 0.000 0.529 355 L N -0.196 120.986 121.223 -0.068 0.000 2.127 355 L HA 0.475 4.816 4.340 0.002 0.000 0.203 355 L C 0.813 177.613 176.870 -0.118 0.000 1.080 355 L CA 0.626 55.409 54.840 -0.095 0.000 0.768 355 L CB -0.884 41.108 42.059 -0.112 0.000 0.924 355 L HN 0.179 nan 8.230 nan 0.000 0.444 356 I N 2.230 122.701 120.570 -0.166 0.000 2.671 356 I HA -0.045 4.127 4.170 0.002 0.000 0.285 356 I C 0.866 176.845 176.117 -0.230 0.000 1.148 356 I CA 0.098 61.178 61.300 -0.365 0.000 1.386 356 I CB 0.089 37.605 38.000 -0.807 0.000 1.406 356 I HN 0.329 nan 8.210 nan 0.000 0.540 357 S N 5.056 120.648 115.700 -0.179 0.000 2.558 357 S HA -0.095 4.377 4.470 0.002 0.000 0.288 357 S C 1.288 175.924 174.600 0.060 0.000 1.318 357 S CA -0.347 57.840 58.200 -0.022 0.000 1.056 357 S CB 0.555 63.759 63.200 0.007 0.000 0.853 357 S HN 0.707 nan 8.310 nan 0.000 0.505 358 D N 2.304 122.824 120.400 0.199 0.000 2.309 358 D HA -0.089 4.553 4.640 0.002 0.000 0.212 358 D C 0.989 177.446 176.300 0.261 0.000 0.968 358 D CA 0.971 55.151 54.000 0.299 0.000 0.882 358 D CB 0.301 41.261 40.800 0.267 0.000 0.918 358 D HN 0.655 nan 8.370 nan 0.000 0.503 359 E N -0.779 119.522 120.200 0.168 0.000 2.250 359 E HA -0.011 4.340 4.350 0.002 0.000 0.192 359 E C 2.099 178.775 176.600 0.126 0.000 0.986 359 E CA 0.057 56.547 56.400 0.150 0.000 0.849 359 E CB 0.255 30.021 29.700 0.111 0.000 0.797 359 E HN 0.093 nan 8.360 nan 0.000 0.482 360 V N -0.636 119.307 119.914 0.048 0.000 2.446 360 V HA -0.128 3.994 4.120 0.002 0.000 0.244 360 V C 1.563 177.670 176.094 0.022 0.000 1.039 360 V CA 1.107 63.391 62.300 -0.026 0.000 1.045 360 V CB -0.505 31.199 31.823 -0.199 0.000 0.681 360 V HN 0.374 nan 8.190 nan 0.000 0.459 361 W N 0.488 121.744 121.300 -0.072 0.000 2.305 361 W HA -0.190 4.472 4.660 0.002 0.000 0.308 361 W C 2.609 179.210 176.519 0.137 0.000 1.226 361 W CA 1.435 58.685 57.345 -0.157 0.000 1.253 361 W CB -0.100 28.884 29.460 -0.794 0.000 1.146 361 W HN 0.198 nan 8.180 nan 0.000 0.507 362 E N 0.522 120.989 120.200 0.444 0.000 2.031 362 E HA -0.210 4.141 4.350 0.002 0.000 0.193 362 E C 1.877 178.656 176.600 0.297 0.000 0.994 362 E CA 1.527 58.180 56.400 0.421 0.000 0.800 362 E CB -0.479 29.421 29.700 0.332 0.000 0.752 362 E HN 0.416 nan 8.360 nan 0.000 0.447 363 K N -0.211 120.333 120.400 0.240 0.000 2.097 363 K HA -0.188 4.133 4.320 0.002 0.000 0.206 363 K C 1.943 178.694 176.600 0.251 0.000 1.049 363 K CA 1.326 57.731 56.287 0.197 0.000 0.933 363 K CB -0.305 32.282 32.500 0.145 0.000 0.717 363 K HN 0.162 nan 8.250 nan 0.000 0.442 364 W N 2.013 123.363 121.300 0.083 0.000 2.354 364 W HA -0.134 4.528 4.660 0.002 0.000 0.315 364 W C 1.667 178.288 176.519 0.169 0.000 1.206 364 W CA 1.255 58.651 57.345 0.084 0.000 1.290 364 W CB -0.379 29.078 29.460 -0.006 0.000 1.152 364 W HN -0.109 nan 8.180 nan 0.000 0.489 365 I N 0.745 121.395 120.570 0.133 0.000 2.208 365 I HA -0.377 3.795 4.170 0.002 0.000 0.245 365 I C 2.245 178.311 176.117 -0.085 0.000 1.097 365 I CA 2.005 63.243 61.300 -0.102 0.000 1.363 365 I CB -0.832 37.263 38.000 0.158 0.000 1.051 365 I HN 0.122 nan 8.210 nan 0.000 0.413 366 N N 0.482 119.208 118.700 0.044 0.000 2.069 366 N HA -0.292 4.449 4.740 0.002 0.000 0.191 366 N C 1.918 177.421 175.510 -0.011 0.000 1.031 366 N CA 1.652 54.720 53.050 0.030 0.000 0.852 366 N CB -0.346 38.191 38.487 0.083 0.000 1.018 366 N HN 0.389 nan 8.380 nan 0.000 0.423 367 Y N 0.934 121.174 120.300 -0.100 0.000 2.114 367 Y HA -0.141 4.411 4.550 0.002 0.000 0.284 367 Y C 2.251 178.035 175.900 -0.193 0.000 1.143 367 Y CA 1.857 59.887 58.100 -0.116 0.000 1.135 367 Y CB -0.548 37.862 38.460 -0.083 0.000 0.980 367 Y HN 0.070 nan 8.280 nan 0.000 0.499 368 E N -0.243 119.743 120.200 -0.356 0.000 2.204 368 E HA -0.132 4.219 4.350 0.002 0.000 0.195 368 E C 2.106 178.477 176.600 -0.381 0.000 0.990 368 E CA 1.273 57.393 56.400 -0.467 0.000 0.821 368 E CB -0.310 29.019 29.700 -0.618 0.000 0.750 368 E HN 0.424 nan 8.360 nan 0.000 0.477 369 V N 0.442 120.180 119.914 -0.293 0.000 2.548 369 V HA -0.103 4.018 4.120 0.002 0.000 0.249 369 V C 1.403 177.375 176.094 -0.204 0.000 1.055 369 V CA 0.959 63.133 62.300 -0.211 0.000 1.065 369 V CB -0.277 31.463 31.823 -0.138 0.000 0.681 369 V HN 0.261 nan 8.190 nan 0.000 0.462 373 N N 0.449 119.110 118.700 -0.065 0.000 2.348 373 N HA -0.140 4.602 4.740 0.002 0.000 0.185 373 N C 1.579 177.119 175.510 0.051 0.000 1.019 373 N CA 1.534 54.579 53.050 -0.009 0.000 0.880 373 N CB -0.305 38.154 38.487 -0.046 0.000 0.965 373 N HN 0.654 nan 8.380 nan 0.000 0.437 374 R N 0.840 121.337 120.500 -0.005 0.000 2.112 374 R HA 0.082 4.423 4.340 0.002 0.000 0.216 374 R C 1.823 178.131 176.300 0.013 0.000 1.080 374 R CA 0.617 56.715 56.100 -0.004 0.000 0.996 374 R CB 0.182 30.449 30.300 -0.055 0.000 0.902 374 R HN 0.224 nan 8.270 nan 0.000 0.449 375 Q N -0.583 119.219 119.800 0.003 0.000 2.230 375 Q HA -0.147 4.194 4.340 0.002 0.000 0.202 375 Q C 1.663 177.695 176.000 0.053 0.000 0.963 375 Q CA 1.334 57.138 55.803 0.000 0.000 0.866 375 Q CB -0.077 28.641 28.738 -0.032 0.000 0.931 375 Q HN 0.304 nan 8.270 nan 0.000 0.452 376 F N 1.335 121.272 119.950 -0.021 0.000 2.084 376 F HA -0.175 4.353 4.527 0.002 0.000 0.296 376 F C 1.898 177.689 175.800 -0.015 0.000 1.111 376 F CA 1.289 59.307 58.000 0.031 0.000 1.224 376 F CB -0.047 38.998 39.000 0.076 0.000 0.991 376 F HN -0.078 nan 8.300 nan 0.000 0.471 377 I N 0.744 121.387 120.570 0.122 0.000 2.335 377 I HA -0.357 3.814 4.170 0.002 0.000 0.251 377 I C 1.846 177.898 176.117 -0.109 0.000 1.129 377 I CA 1.142 62.434 61.300 -0.014 0.000 1.402 377 I CB -0.701 37.341 38.000 0.069 0.000 1.069 377 I HN 0.276 nan 8.210 nan 0.000 0.424 378 N N 1.362 120.017 118.700 -0.074 0.000 2.223 378 N HA -0.112 4.629 4.740 0.002 0.000 0.185 378 N C 1.474 176.918 175.510 -0.109 0.000 1.016 378 N CA 1.315 54.321 53.050 -0.072 0.000 0.863 378 N CB -0.133 38.326 38.487 -0.046 0.000 0.983 378 N HN 0.544 nan 8.380 nan 0.000 0.429 379 I N -3.123 117.340 120.570 -0.177 0.000 3.856 379 I HA 0.324 4.496 4.170 0.002 0.000 0.333 379 I C 0.755 176.679 176.117 -0.322 0.000 1.525 379 I CA 0.114 61.303 61.300 -0.186 0.000 1.173 379 I CB 0.722 38.639 38.000 -0.139 0.000 1.175 379 I HN -0.230 nan 8.210 nan 0.000 0.424 380 T N -0.005 114.312 114.554 -0.395 0.000 3.416 380 T HA 0.097 4.449 4.350 0.002 0.000 0.298 380 T C 1.353 175.871 174.700 -0.304 0.000 0.874 380 T CA 0.388 62.122 62.100 -0.610 0.000 0.901 380 T CB 0.016 68.098 68.868 -1.310 0.000 1.215 380 T HN 0.590 nan 8.240 nan 0.000 0.677 381 K N 0.719 121.028 120.400 -0.151 0.000 2.103 381 K HA 0.130 4.452 4.320 0.002 0.000 0.204 381 K C 0.518 177.128 176.600 0.016 0.000 1.052 381 K CA 0.538 56.798 56.287 -0.044 0.000 0.945 381 K CB -0.029 32.453 32.500 -0.031 0.000 0.722 381 K HN 0.171 nan 8.250 nan 0.000 0.443 382 N N 1.146 119.860 118.700 0.023 0.000 2.443 382 N HA 0.157 4.898 4.740 0.002 0.000 0.293 382 N C -2.100 173.475 175.510 0.107 0.000 1.159 382 N CA -2.129 50.954 53.050 0.055 0.000 0.904 382 N CB 1.399 39.910 38.487 0.039 0.000 1.214 382 N HN -0.082 nan 8.380 nan 0.000 0.513 383 P HA -0.088 nan 4.420 nan 0.000 0.226 383 P C 0.459 177.854 177.300 0.159 0.000 1.153 383 P CA 1.129 64.302 63.100 0.121 0.000 0.777 383 P CB 0.303 32.038 31.700 0.058 0.000 0.794 384 E N -0.057 120.215 120.200 0.120 0.000 2.427 384 E HA -0.075 4.277 4.350 0.002 0.000 0.196 384 E C 0.761 177.437 176.600 0.127 0.000 1.028 384 E CA 0.440 56.908 56.400 0.113 0.000 0.864 384 E CB -0.553 29.189 29.700 0.070 0.000 0.813 384 E HN 0.245 nan 8.360 nan 0.000 0.514 385 D N 0.331 120.817 120.400 0.143 0.000 2.350 385 D HA -0.019 4.622 4.640 0.002 0.000 0.213 385 D C 1.192 177.608 176.300 0.193 0.000 1.031 385 D CA 0.069 54.140 54.000 0.118 0.000 0.861 385 D CB -0.071 40.760 40.800 0.051 0.000 0.926 385 D HN 0.142 nan 8.370 nan 0.000 0.520 386 F N 3.360 123.401 119.950 0.151 0.000 2.051 386 F HA -0.082 4.446 4.527 0.002 0.000 0.296 386 F C -0.788 175.143 175.800 0.218 0.000 1.122 386 F CA 1.082 59.201 58.000 0.198 0.000 1.201 386 F CB -1.245 37.850 39.000 0.158 0.000 0.978 386 F HN -0.084 nan 8.300 nan 0.000 0.472 387 P HA -0.256 nan 4.420 nan 0.000 0.217 387 P C 0.346 177.643 177.300 -0.005 0.000 1.158 387 P CA 2.160 65.268 63.100 0.013 0.000 0.887 387 P CB -0.262 31.492 31.700 0.091 0.000 0.792 388 K N -0.172 120.218 120.400 -0.017 0.000 2.570 388 K HA 0.169 4.490 4.320 0.002 0.000 0.210 388 K C 1.745 178.318 176.600 -0.045 0.000 1.048 388 K CA 0.136 56.410 56.287 -0.022 0.000 1.167 388 K CB -0.002 32.499 32.500 0.001 0.000 0.892 388 K HN 0.184 nan 8.250 nan 0.000 0.480 389 S N -0.550 115.069 115.700 -0.135 0.000 2.406 389 S HA -0.088 4.384 4.470 0.002 0.000 0.228 389 S C 1.946 176.551 174.600 0.007 0.000 1.020 389 S CA 0.922 59.104 58.200 -0.031 0.000 0.965 389 S CB 0.024 63.286 63.200 0.104 0.000 0.798 389 S HN 0.096 nan 8.310 nan 0.000 0.488 390 S N 2.080 117.725 115.700 -0.091 0.000 2.368 390 S HA -0.099 4.373 4.470 0.002 0.000 0.224 390 S C 2.150 176.950 174.600 0.333 0.000 1.029 390 S CA 1.249 59.541 58.200 0.153 0.000 0.988 390 S CB -0.428 63.009 63.200 0.395 0.000 0.838 390 S HN 0.617 nan 8.310 nan 0.000 0.462 391 Q N 1.227 121.171 119.800 0.240 0.000 1.993 391 Q HA -0.124 4.217 4.340 0.002 0.000 0.202 391 Q C 2.008 178.108 176.000 0.167 0.000 0.984 391 Q CA 1.507 57.477 55.803 0.277 0.000 0.837 391 Q CB -0.437 28.361 28.738 0.101 0.000 0.902 391 Q HN 0.624 nan 8.270 nan 0.000 0.423 392 N N 0.042 118.795 118.700 0.088 0.000 2.094 392 N HA -0.198 4.543 4.740 0.002 0.000 0.191 392 N C 1.643 177.178 175.510 0.043 0.000 1.023 392 N CA 1.038 54.116 53.050 0.046 0.000 0.857 392 N CB -0.242 38.255 38.487 0.017 0.000 1.013 392 N HN 0.125 nan 8.380 nan 0.000 0.426 393 F N 1.736 121.634 119.950 -0.087 0.000 2.171 393 F HA -0.111 4.418 4.527 0.002 0.000 0.300 393 F C 1.956 177.724 175.800 -0.054 0.000 1.090 393 F CA 0.856 58.792 58.000 -0.107 0.000 1.293 393 F CB -0.218 38.563 39.000 -0.366 0.000 1.013 393 F HN -0.212 nan 8.300 nan 0.000 0.486 394 V N 0.576 120.460 119.914 -0.051 0.000 2.427 394 V HA -0.261 3.860 4.120 0.002 0.000 0.248 394 V C 2.312 178.340 176.094 -0.110 0.000 1.051 394 V CA 1.953 64.176 62.300 -0.129 0.000 1.048 394 V CB -0.697 31.079 31.823 -0.078 0.000 0.666 394 V HN 0.261 nan 8.190 nan 0.000 0.456 395 K N -0.140 120.234 120.400 -0.044 0.000 2.025 395 K HA -0.149 4.172 4.320 0.002 0.000 0.207 395 K C 2.121 178.694 176.600 -0.046 0.000 1.049 395 K CA 1.291 57.568 56.287 -0.017 0.000 0.933 395 K CB -0.413 32.093 32.500 0.009 0.000 0.714 395 K HN 0.258 nan 8.250 nan 0.000 0.438 396 L N 1.463 122.622 121.223 -0.108 0.000 2.127 396 L HA -0.150 4.191 4.340 0.002 0.000 0.211 396 L C 1.858 178.645 176.870 -0.139 0.000 1.089 396 L CA 1.433 56.198 54.840 -0.125 0.000 0.757 396 L CB -0.196 41.774 42.059 -0.147 0.000 0.899 396 L HN 0.157 nan 8.230 nan 0.000 0.434 397 I N -0.591 119.845 120.570 -0.224 0.000 2.500 397 I HA -0.144 4.027 4.170 0.002 0.000 0.252 397 I C 1.879 178.106 176.117 0.183 0.000 1.142 397 I CA 0.779 62.053 61.300 -0.042 0.000 1.451 397 I CB -1.149 36.750 38.000 -0.169 0.000 1.093 397 I HN 0.360 nan 8.210 nan 0.000 0.430 398 N N 1.126 119.878 118.700 0.088 0.000 2.250 398 N HA -0.158 4.583 4.740 0.002 0.000 0.181 398 N C 1.783 177.432 175.510 0.231 0.000 1.017 398 N CA 0.820 53.971 53.050 0.167 0.000 0.866 398 N CB -0.143 38.393 38.487 0.082 0.000 0.985 398 N HN 0.250 nan 8.380 nan 0.000 0.429 399 K N 1.800 122.285 120.400 0.142 0.000 1.985 399 K HA 0.051 4.372 4.320 0.002 0.000 0.210 399 K C 1.835 178.556 176.600 0.202 0.000 1.047 399 K CA 1.104 57.469 56.287 0.131 0.000 0.932 399 K CB -0.585 31.940 32.500 0.042 0.000 0.716 399 K HN 0.089 nan 8.250 nan 0.000 0.439 400 I N 0.051 120.732 120.570 0.185 0.000 2.335 400 I HA -0.270 3.902 4.170 0.002 0.000 0.251 400 I C 2.189 178.597 176.117 0.484 0.000 1.129 400 I CA 1.446 62.886 61.300 0.235 0.000 1.402 400 I CB -0.328 37.688 38.000 0.027 0.000 1.069 400 I HN 0.262 nan 8.210 nan 0.000 0.424 401 Y N 1.853 122.453 120.300 0.500 0.000 2.184 401 Y HA -0.241 4.310 4.550 0.002 0.000 0.290 401 Y C 2.230 178.382 175.900 0.421 0.000 1.129 401 Y CA 1.588 60.046 58.100 0.597 0.000 1.144 401 Y CB -0.110 38.630 38.460 0.466 0.000 0.995 401 Y HN 0.153 nan 8.280 nan 0.000 0.513 402 D N -0.587 120.016 120.400 0.340 0.000 2.144 402 D HA -0.241 4.400 4.640 0.002 0.000 0.199 402 D C 1.797 178.196 176.300 0.164 0.000 0.984 402 D CA 1.565 55.684 54.000 0.198 0.000 0.834 402 D CB -0.699 40.241 40.800 0.234 0.000 0.955 402 D HN 0.512 nan 8.370 nan 0.000 0.465 403 Y N 1.083 121.443 120.300 0.100 0.000 2.352 403 Y HA -0.029 4.523 4.550 0.002 0.000 0.292 403 Y C 1.944 177.900 175.900 0.094 0.000 1.136 403 Y CA 0.994 59.149 58.100 0.093 0.000 1.227 403 Y CB -0.145 38.372 38.460 0.094 0.000 0.991 403 Y HN -0.097 nan 8.280 nan 0.000 0.545 404 L N -0.260 120.997 121.223 0.057 0.000 2.567 404 L HA -0.010 4.331 4.340 0.002 0.000 0.225 404 L C 2.047 178.837 176.870 -0.134 0.000 1.119 404 L CA 0.263 55.056 54.840 -0.078 0.000 0.871 404 L CB -0.316 41.738 42.059 -0.008 0.000 1.036 404 L HN 0.236 nan 8.230 nan 0.000 0.459 405 E N 1.281 121.414 120.200 -0.112 0.000 2.035 405 E HA -0.245 4.106 4.350 0.002 0.000 0.204 405 E C -0.623 175.984 176.600 0.013 0.000 1.025 405 E CA 1.924 58.283 56.400 -0.069 0.000 0.835 405 E CB -1.169 28.484 29.700 -0.079 0.000 0.764 405 E HN 0.389 nan 8.360 nan 0.000 0.457 406 P HA -0.212 nan 4.420 nan 0.000 0.218 406 P C 1.428 178.770 177.300 0.071 0.000 1.146 406 P CA 1.271 64.385 63.100 0.025 0.000 0.820 406 P CB -0.228 31.472 31.700 -0.000 0.000 0.778 407 F N -0.066 119.815 119.950 -0.115 0.000 2.128 407 F HA -0.125 4.404 4.527 0.002 0.000 0.295 407 F C 2.449 178.216 175.800 -0.055 0.000 1.100 407 F CA 1.058 58.989 58.000 -0.114 0.000 1.260 407 F CB -1.189 37.709 39.000 -0.170 0.000 1.009 407 F HN -0.197 nan 8.300 nan 0.000 0.476 408 Y N 0.378 120.592 120.300 -0.143 0.000 2.242 408 Y HA -0.194 4.357 4.550 0.002 0.000 0.291 408 Y C 2.036 177.840 175.900 -0.161 0.000 1.137 408 Y CA 0.583 58.516 58.100 -0.278 0.000 1.181 408 Y CB -0.315 38.048 38.460 -0.162 0.000 0.989 408 Y HN 0.012 nan 8.280 nan 0.000 0.527 409 D N 0.552 121.005 120.400 0.088 0.000 2.378 409 D HA -0.045 4.597 4.640 0.002 0.000 0.222 409 D C 0.134 176.449 176.300 0.025 0.000 0.980 409 D CA 0.766 54.808 54.000 0.069 0.000 0.907 409 D CB -0.188 40.639 40.800 0.046 0.000 0.899 409 D HN 0.265 nan 8.370 nan 0.000 0.527 410 L N 1.615 122.828 121.223 -0.016 0.000 2.385 410 L HA 0.026 4.368 4.340 0.002 0.000 0.281 410 L C 1.482 178.346 176.870 -0.010 0.000 1.106 410 L CA -0.401 54.434 54.840 -0.009 0.000 0.856 410 L CB 0.980 43.040 42.059 0.002 0.000 1.186 410 L HN -0.212 nan 8.230 nan 0.000 0.453 411 D N 3.191 123.604 120.400 0.021 0.000 2.173 411 D HA -0.227 4.414 4.640 0.002 0.000 0.205 411 D C 0.665 177.012 176.300 0.078 0.000 1.002 411 D CA 1.048 55.066 54.000 0.030 0.000 0.881 411 D CB 0.017 40.830 40.800 0.021 0.000 1.062 411 D HN 0.288 nan 8.370 nan 0.000 0.459 412 F N 1.905 121.807 119.950 -0.081 0.000 1.912 412 F HA -0.255 4.274 4.527 0.002 0.000 0.476 412 F C 1.087 176.833 175.800 -0.090 0.000 0.775 412 F CA -0.060 57.894 58.000 -0.077 0.000 1.001 412 F CB 0.079 39.044 39.000 -0.058 0.000 0.788 412 F HN 0.070 nan 8.300 nan 0.000 0.514 413 D N 4.997 125.333 120.400 -0.106 0.000 2.317 413 D HA -0.079 4.562 4.640 0.002 0.000 0.211 413 D C 2.283 178.309 176.300 -0.457 0.000 0.966 413 D CA 0.618 54.470 54.000 -0.247 0.000 0.876 413 D CB 0.172 40.898 40.800 -0.124 0.000 0.927 413 D HN 0.617 nan 8.370 nan 0.000 0.519 414 L N 0.653 121.310 121.223 -0.944 0.000 2.362 414 L HA -0.112 4.230 4.340 0.002 0.000 0.219 414 L C 1.379 177.917 176.870 -0.554 0.000 1.134 414 L CA 0.465 54.841 54.840 -0.773 0.000 0.807 414 L CB -0.015 41.475 42.059 -0.949 0.000 0.927 414 L HN 0.101 nan 8.230 nan 0.000 0.447 415 L N -4.350 116.504 121.223 -0.615 0.000 2.741 415 L HA 0.172 4.514 4.340 0.002 0.000 0.237 415 L C 1.371 178.105 176.870 -0.228 0.000 1.178 415 L CA 0.580 55.194 54.840 -0.377 0.000 0.973 415 L CB -0.725 40.998 42.059 -0.560 0.000 1.255 415 L HN -0.209 nan 8.230 nan 0.000 0.498 416 V N 0.386 120.170 119.914 -0.217 0.000 3.306 416 V HA -0.028 4.094 4.120 0.002 0.000 0.264 416 V C 2.709 178.734 176.094 -0.114 0.000 1.149 416 V CA 1.341 63.542 62.300 -0.164 0.000 1.143 416 V CB -0.234 31.490 31.823 -0.164 0.000 0.767 416 V HN 0.791 nan 8.190 nan 0.000 0.476 417 R N -1.306 119.118 120.500 -0.126 0.000 2.090 417 R HA -0.134 4.208 4.340 0.002 0.000 0.228 417 R C 2.009 178.159 176.300 -0.250 0.000 1.110 417 R CA 1.939 57.915 56.100 -0.206 0.000 0.973 417 R CB -0.452 29.671 30.300 -0.294 0.000 0.869 417 R HN 0.554 nan 8.270 nan 0.000 0.440 418 Y N 0.752 121.032 120.300 -0.034 0.000 2.337 418 Y HA 0.091 4.643 4.550 0.002 0.000 0.293 418 Y C 2.123 178.186 175.900 0.270 0.000 1.123 418 Y CA 1.002 59.167 58.100 0.108 0.000 1.201 418 Y CB 0.117 38.626 38.460 0.082 0.000 1.011 418 Y HN -0.022 nan 8.280 nan 0.000 0.545 419 K N 0.130 120.719 120.400 0.315 0.000 2.211 419 K HA -0.052 4.270 4.320 0.002 0.000 0.203 419 K C 0.550 177.312 176.600 0.269 0.000 1.050 419 K CA 0.546 57.034 56.287 0.335 0.000 0.945 419 K CB -0.115 32.394 32.500 0.015 0.000 0.732 419 K HN 0.217 nan 8.250 nan 0.000 0.451 423 C N 2.404 121.944 119.300 0.400 0.000 2.432 423 C HA 0.071 4.532 4.460 0.002 0.000 0.277 423 C C 3.129 178.236 174.990 0.194 0.000 1.249 423 C CA 2.230 61.496 59.018 0.412 0.000 1.725 423 C CB -0.831 27.060 27.740 0.252 0.000 2.028 423 C HN 0.848 nan 8.230 nan 0.000 0.477 424 S N -0.044 115.706 115.700 0.084 0.000 2.421 424 S HA 0.107 4.578 4.470 0.002 0.000 0.224 424 S C 1.508 176.111 174.600 0.005 0.000 1.035 424 S CA 0.801 59.006 58.200 0.010 0.000 0.953 424 S CB -0.576 62.612 63.200 -0.019 0.000 0.810 424 S HN 0.610 nan 8.310 nan 0.000 0.497 425 L N 0.282 121.511 121.223 0.010 0.000 2.599 425 L HA 0.359 4.700 4.340 0.002 0.000 0.230 425 L C 1.693 178.528 176.870 -0.059 0.000 1.141 425 L CA 0.362 55.188 54.840 -0.023 0.000 0.877 425 L CB -0.385 41.661 42.059 -0.020 0.000 1.009 425 L HN 0.362 nan 8.230 nan 0.000 0.447 426 I N -2.362 118.170 120.570 -0.064 0.000 3.674 426 I HA 0.098 4.270 4.170 0.002 0.000 0.248 426 I C 0.771 176.763 176.117 -0.209 0.000 1.134 426 I CA -0.141 61.043 61.300 -0.193 0.000 1.519 426 I CB 0.222 38.027 38.000 -0.324 0.000 1.598 426 I HN -0.136 nan 8.210 nan 0.000 0.442 430 L N 1.034 122.248 121.223 -0.014 0.000 2.083 430 L HA -0.064 4.278 4.340 0.002 0.000 0.209 430 L C 1.562 178.584 176.870 0.254 0.000 1.083 430 L CA 1.963 56.831 54.840 0.045 0.000 0.752 430 L CB -0.745 41.426 42.059 0.187 0.000 0.899 430 L HN 0.325 nan 8.230 nan 0.000 0.433 431 T N -1.218 113.557 114.554 0.367 0.000 2.821 431 T HA -0.133 4.219 4.350 0.002 0.000 0.267 431 T C 2.136 176.983 174.700 0.246 0.000 1.046 431 T CA 1.503 63.820 62.100 0.361 0.000 1.139 431 T CB -0.050 68.998 68.868 0.299 0.000 0.871 431 T HN 0.270 nan 8.240 nan 0.000 0.454 432 S N 1.469 117.255 115.700 0.144 0.000 2.368 432 S HA -0.070 4.401 4.470 0.002 0.000 0.224 432 S C 2.516 177.136 174.600 0.034 0.000 1.029 432 S CA 0.941 59.208 58.200 0.111 0.000 0.988 432 S CB -0.394 62.837 63.200 0.051 0.000 0.838 432 S HN 0.431 nan 8.310 nan 0.000 0.462 433 S N 0.657 116.295 115.700 -0.103 0.000 2.365 433 S HA -0.170 4.302 4.470 0.002 0.000 0.225 433 S C 1.615 176.222 174.600 0.012 0.000 1.039 433 S CA 1.545 59.587 58.200 -0.264 0.000 1.033 433 S CB -0.523 62.112 63.200 -0.940 0.000 0.887 433 S HN 0.585 nan 8.310 nan 0.000 0.447 434 Y N 1.794 122.056 120.300 -0.063 0.000 2.070 434 Y HA -0.146 4.405 4.550 0.002 0.000 0.280 434 Y C 2.212 178.192 175.900 0.132 0.000 1.148 434 Y CA 1.367 59.550 58.100 0.138 0.000 1.125 434 Y CB -0.784 37.380 38.460 -0.493 0.000 0.975 434 Y HN 0.177 nan 8.280 nan 0.000 0.492 435 L N 0.694 121.936 121.223 0.031 0.000 2.129 435 L HA -0.223 4.119 4.340 0.002 0.000 0.212 435 L C 1.923 178.711 176.870 -0.136 0.000 1.087 435 L CA 2.496 57.227 54.840 -0.183 0.000 0.757 435 L CB -1.051 40.874 42.059 -0.223 0.000 0.896 435 L HN 0.400 nan 8.230 nan 0.000 0.434 436 D N -2.037 118.346 120.400 -0.028 0.000 2.084 436 D HA -0.304 4.337 4.640 0.002 0.000 0.196 436 D C 2.193 178.500 176.300 0.012 0.000 0.985 436 D CA 1.663 55.660 54.000 -0.005 0.000 0.826 436 D CB -0.394 40.427 40.800 0.035 0.000 0.978 436 D HN 0.503 nan 8.370 nan 0.000 0.456 437 Y N 0.780 121.049 120.300 -0.051 0.000 2.040 437 Y HA -0.275 4.276 4.550 0.002 0.000 0.275 437 Y C 2.205 178.019 175.900 -0.144 0.000 1.171 437 Y CA 1.869 59.936 58.100 -0.055 0.000 1.123 437 Y CB -0.304 38.152 38.460 -0.006 0.000 0.963 437 Y HN 0.043 nan 8.280 nan 0.000 0.493 438 I N 0.203 120.465 120.570 -0.514 0.000 2.286 438 I HA -0.339 3.833 4.170 0.002 0.000 0.248 438 I C 2.153 178.094 176.117 -0.293 0.000 1.115 438 I CA 1.374 62.384 61.300 -0.484 0.000 1.392 438 I CB -0.306 37.469 38.000 -0.376 0.000 1.065 438 I HN 0.373 nan 8.210 nan 0.000 0.418 439 L N -0.226 120.863 121.223 -0.223 0.000 2.376 439 L HA -0.074 4.267 4.340 0.002 0.000 0.219 439 L C 0.608 177.385 176.870 -0.155 0.000 1.133 439 L CA 0.863 55.606 54.840 -0.162 0.000 0.816 439 L CB -0.380 41.602 42.059 -0.128 0.000 0.933 439 L HN 0.180 nan 8.230 nan 0.000 0.449 440 T N -0.403 114.049 114.554 -0.170 0.000 3.532 440 T HA 0.390 4.742 4.350 0.002 0.000 0.241 440 T C -0.478 174.119 174.700 -0.172 0.000 1.238 440 T CA -0.000 62.021 62.100 -0.130 0.000 1.405 440 T CB 0.850 69.685 68.868 -0.055 0.000 0.971 440 T HN -0.075 nan 8.240 nan 0.000 0.640 441 V N 0.871 120.621 119.914 -0.274 0.000 2.888 441 V HA 0.660 4.782 4.120 0.002 0.000 0.309 441 V C -1.968 173.929 176.094 -0.328 0.000 1.114 441 V CA -0.758 61.348 62.300 -0.322 0.000 0.940 441 V CB 2.488 33.941 31.823 -0.616 0.000 1.021 441 V HN 0.352 nan 8.190 nan 0.000 0.426 442 D N 3.028 123.283 120.400 -0.243 0.000 2.473 442 D HA 0.385 5.026 4.640 0.002 0.000 0.253 442 D C 0.552 176.734 176.300 -0.196 0.000 1.233 442 D CA 0.267 54.130 54.000 -0.228 0.000 0.908 442 D CB 2.092 42.810 40.800 -0.136 0.000 1.170 442 D HN 0.674 nan 8.370 nan 0.000 0.558 443 S N 2.367 117.897 115.700 -0.283 0.000 2.540 443 S HA 0.229 4.700 4.470 0.002 0.000 0.218 443 S C 0.950 175.505 174.600 -0.075 0.000 0.977 443 S CA -0.388 57.721 58.200 -0.152 0.000 0.918 443 S CB 0.042 63.137 63.200 -0.175 0.000 0.806 443 S HN 0.349 nan 8.310 nan 0.000 0.496 444 L N 2.197 123.362 121.223 -0.095 0.000 2.418 444 L HA 0.387 4.729 4.340 0.002 0.000 0.265 444 L C 0.273 177.124 176.870 -0.030 0.000 1.143 444 L CA -0.845 53.967 54.840 -0.047 0.000 0.809 444 L CB 0.266 42.292 42.059 -0.055 0.000 1.124 444 L HN 0.137 nan 8.230 nan 0.000 0.456 445 N N 0.521 119.214 118.700 -0.012 0.000 2.297 445 N HA -0.085 4.656 4.740 0.002 0.000 0.232 445 N C 0.916 176.417 175.510 -0.015 0.000 1.311 445 N CA -0.175 52.870 53.050 -0.008 0.000 0.897 445 N CB 0.388 38.875 38.487 0.000 0.000 1.137 445 N HN 0.634 nan 8.380 nan 0.000 0.449 446 E N -0.772 119.422 120.200 -0.011 0.000 2.171 446 E HA -0.187 4.165 4.350 0.002 0.000 0.197 446 E C -0.387 176.204 176.600 -0.015 0.000 0.997 446 E CA 0.947 57.339 56.400 -0.013 0.000 0.810 446 E CB 0.181 29.875 29.700 -0.009 0.000 0.738 446 E HN 0.473 nan 8.360 nan 0.000 0.467 447 T N 1.024 115.571 114.554 -0.012 0.000 2.794 447 T HA 0.434 4.786 4.350 0.002 0.000 0.280 447 T C -0.351 174.341 174.700 -0.013 0.000 0.987 447 T CA -0.778 61.315 62.100 -0.012 0.000 0.993 447 T CB 1.480 70.343 68.868 -0.007 0.000 0.939 447 T HN 0.258 nan 8.240 nan 0.000 0.449 448 R N 0.811 121.301 120.500 -0.017 0.000 2.909 448 R HA 0.764 5.106 4.340 0.002 0.000 0.262 448 R C -1.440 174.846 176.300 -0.024 0.000 1.095 448 R CA -0.954 55.135 56.100 -0.019 0.000 0.965 448 R CB 0.927 31.210 30.300 -0.028 0.000 1.300 448 R HN 0.440 nan 8.270 nan 0.000 0.442 449 T N 0.339 114.875 114.554 -0.030 0.000 2.893 449 T HA 0.316 4.668 4.350 0.002 0.000 0.291 449 T C 0.491 175.151 174.700 -0.066 0.000 1.028 449 T CA -0.892 61.183 62.100 -0.042 0.000 0.995 449 T CB 2.068 70.915 68.868 -0.036 0.000 1.051 449 T HN 0.508 nan 8.240 nan 0.000 0.470 450 K N 1.162 121.519 120.400 -0.072 0.000 2.103 450 K HA -0.204 4.117 4.320 0.002 0.000 0.207 450 K C 1.967 178.481 176.600 -0.143 0.000 1.048 450 K CA 1.529 57.762 56.287 -0.089 0.000 0.930 450 K CB 0.107 32.560 32.500 -0.079 0.000 0.716 450 K HN 0.677 nan 8.250 nan 0.000 0.444 451 E N 1.651 121.748 120.200 -0.171 0.000 2.031 451 E HA -0.208 4.144 4.350 0.002 0.000 0.193 451 E C 2.063 178.434 176.600 -0.382 0.000 0.994 451 E CA 1.352 57.560 56.400 -0.319 0.000 0.800 451 E CB 0.081 29.633 29.700 -0.246 0.000 0.752 451 E HN 0.250 nan 8.360 nan 0.000 0.447 452 Q N 0.195 119.902 119.800 -0.155 0.000 2.112 452 Q HA -0.236 4.106 4.340 0.002 0.000 0.206 452 Q C 2.228 178.207 176.000 -0.035 0.000 0.987 452 Q CA 1.796 57.585 55.803 -0.023 0.000 0.858 452 Q CB -0.193 28.553 28.738 0.013 0.000 0.905 452 Q HN 0.451 nan 8.270 nan 0.000 0.420 453 E N 0.495 120.647 120.200 -0.080 0.000 2.077 453 E HA -0.200 4.151 4.350 0.002 0.000 0.193 453 E C 2.023 178.580 176.600 -0.072 0.000 0.989 453 E CA 0.921 57.277 56.400 -0.074 0.000 0.800 453 E CB -0.132 29.522 29.700 -0.078 0.000 0.746 453 E HN 0.187 nan 8.360 nan 0.000 0.452 454 L N 0.247 121.391 121.223 -0.132 0.000 2.056 454 L HA -0.173 4.168 4.340 0.002 0.000 0.207 454 L C 1.951 178.815 176.870 -0.010 0.000 1.078 454 L CA 1.710 56.477 54.840 -0.122 0.000 0.749 454 L CB -0.545 41.375 42.059 -0.232 0.000 0.901 454 L HN 0.052 nan 8.230 nan 0.000 0.433 455 Y N 0.085 120.380 120.300 -0.010 0.000 2.200 455 Y HA -0.174 4.378 4.550 0.002 0.000 0.290 455 Y C 2.870 178.778 175.900 0.013 0.000 1.137 455 Y CA 1.447 59.547 58.100 -0.000 0.000 1.163 455 Y CB -1.011 37.450 38.460 0.003 0.000 0.988 455 Y HN 0.427 nan 8.280 nan 0.000 0.518 456 Q N -0.171 119.727 119.800 0.162 0.000 2.084 456 Q HA -0.110 4.232 4.340 0.002 0.000 0.202 456 Q C 0.755 176.805 176.000 0.083 0.000 0.978 456 Q CA 1.313 57.178 55.803 0.103 0.000 0.844 456 Q CB -0.104 28.600 28.738 -0.056 0.000 0.898 456 Q HN 0.327 nan 8.270 nan 0.000 0.426 460 K N -0.098 120.379 120.400 0.130 0.000 2.063 460 K HA -0.088 4.233 4.320 0.002 0.000 0.208 460 K C 1.779 178.452 176.600 0.123 0.000 1.048 460 K CA 1.749 58.162 56.287 0.211 0.000 0.928 460 K CB -0.218 32.370 32.500 0.147 0.000 0.713 460 K HN 0.377 nan 8.250 nan 0.000 0.442 461 L N 1.598 122.860 121.223 0.065 0.000 2.201 461 L HA -0.172 4.169 4.340 0.002 0.000 0.212 461 L C 2.373 179.297 176.870 0.089 0.000 1.105 461 L CA 1.605 56.480 54.840 0.059 0.000 0.775 461 L CB -0.349 41.732 42.059 0.036 0.000 0.913 461 L HN 0.197 nan 8.230 nan 0.000 0.440 462 Q N -2.053 117.778 119.800 0.051 0.000 2.137 462 Q HA -0.198 4.143 4.340 0.002 0.000 0.198 462 Q C 2.027 178.134 176.000 0.179 0.000 0.960 462 Q CA 1.002 56.841 55.803 0.059 0.000 0.847 462 Q CB -0.080 28.626 28.738 -0.054 0.000 0.915 462 Q HN 0.564 nan 8.270 nan 0.000 0.448 463 H N -0.257 118.900 119.070 0.145 0.000 2.321 463 H HA -0.090 4.467 4.556 0.002 0.000 0.300 463 H C 2.193 177.749 175.328 0.380 0.000 1.087 463 H CA 1.682 57.871 56.048 0.234 0.000 1.319 463 H CB -0.290 29.575 29.762 0.173 0.000 1.379 463 H HN 0.123 nan 8.280 nan 0.000 0.501 464 V N 1.311 121.476 119.914 0.419 0.000 2.490 464 V HA -0.217 3.905 4.120 0.002 0.000 0.250 464 V C 2.192 178.554 176.094 0.446 0.000 1.061 464 V CA 1.870 64.388 62.300 0.363 0.000 1.064 464 V CB -0.548 31.328 31.823 0.088 0.000 0.670 464 V HN 0.412 nan 8.190 nan 0.000 0.461 465 N N -0.334 118.583 118.700 0.361 0.000 2.396 465 N HA -0.140 4.601 4.740 0.002 0.000 0.180 465 N C 1.520 177.286 175.510 0.426 0.000 1.028 465 N CA 0.900 54.173 53.050 0.371 0.000 0.893 465 N CB -0.180 38.461 38.487 0.255 0.000 0.967 465 N HN 0.424 nan 8.380 nan 0.000 0.440 466 F N -0.049 120.055 119.950 0.256 0.000 2.187 466 F HA 0.120 4.648 4.527 0.002 0.000 0.295 466 F C 1.848 177.759 175.800 0.185 0.000 1.091 466 F CA 0.705 58.819 58.000 0.190 0.000 1.308 466 F CB -0.377 38.728 39.000 0.174 0.000 1.030 466 F HN -0.108 nan 8.300 nan 0.000 0.487 467 V N -0.444 119.606 119.914 0.225 0.000 2.719 467 V HA -0.240 3.881 4.120 0.002 0.000 0.252 467 V C 1.990 178.137 176.094 0.088 0.000 1.065 467 V CA 1.615 63.980 62.300 0.109 0.000 1.086 467 V CB -0.984 31.001 31.823 0.271 0.000 0.700 467 V HN 0.498 nan 8.190 nan 0.000 0.467 468 Y N 1.576 121.957 120.300 0.135 0.000 2.200 468 Y HA -0.212 4.340 4.550 0.002 0.000 0.290 468 Y C 2.633 178.490 175.900 -0.072 0.000 1.137 468 Y CA 2.074 60.180 58.100 0.011 0.000 1.163 468 Y CB -0.241 38.366 38.460 0.246 0.000 0.988 468 Y HN 0.101 nan 8.280 nan 0.000 0.518 469 R N 0.184 120.578 120.500 -0.177 0.000 2.092 469 R HA -0.130 4.211 4.340 0.002 0.000 0.231 469 R C 2.194 178.289 176.300 -0.342 0.000 1.119 469 R CA 1.537 57.465 56.100 -0.285 0.000 0.970 469 R CB -0.179 30.077 30.300 -0.073 0.000 0.864 469 R HN 0.124 nan 8.270 nan 0.000 0.440 470 K N 0.528 120.716 120.400 -0.354 0.000 2.167 470 K HA 0.033 4.354 4.320 0.002 0.000 0.203 470 K C 1.626 178.008 176.600 -0.364 0.000 1.052 470 K CA 1.184 57.250 56.287 -0.368 0.000 0.956 470 K CB -0.157 32.083 32.500 -0.433 0.000 0.735 470 K HN 0.197 nan 8.250 nan 0.000 0.451 471 I N 0.676 121.038 120.570 -0.347 0.000 2.163 471 I HA -0.327 3.844 4.170 0.002 0.000 0.243 471 I C 2.152 177.923 176.117 -0.576 0.000 1.085 471 I CA 1.409 62.486 61.300 -0.370 0.000 1.347 471 I CB -0.182 37.661 38.000 -0.262 0.000 1.044 471 I HN 0.177 nan 8.210 nan 0.000 0.408 472 K N 0.619 120.697 120.400 -0.537 0.000 2.009 472 K HA -0.192 4.129 4.320 0.002 0.000 0.210 472 K C 2.074 178.398 176.600 -0.459 0.000 1.049 472 K CA 2.039 58.025 56.287 -0.502 0.000 0.929 472 K CB -0.323 31.897 32.500 -0.467 0.000 0.714 472 K HN 0.371 nan 8.250 nan 0.000 0.440 473 S N 0.539 116.005 115.700 -0.390 0.000 2.595 473 S HA -0.077 4.394 4.470 0.002 0.000 0.235 473 S C 1.617 175.976 174.600 -0.401 0.000 0.974 473 S CA 0.608 58.612 58.200 -0.326 0.000 0.942 473 S CB -0.031 63.020 63.200 -0.248 0.000 0.766 473 S HN 0.195 nan 8.310 nan 0.000 0.536 474 L N 1.767 122.644 121.223 -0.576 0.000 2.388 474 L HA 0.278 4.620 4.340 0.002 0.000 0.209 474 L C 2.280 178.560 176.870 -0.984 0.000 1.061 474 L CA 1.273 55.669 54.840 -0.741 0.000 0.834 474 L CB -0.250 41.332 42.059 -0.795 0.000 1.029 474 L HN 0.435 nan 8.230 nan 0.000 0.473 475 S N -2.530 112.451 115.700 -1.198 0.000 2.603 475 S HA -0.051 4.420 4.470 0.002 0.000 0.229 475 S C 1.697 176.018 174.600 -0.464 0.000 0.972 475 S CA 0.821 58.353 58.200 -1.113 0.000 0.935 475 S CB -0.404 62.149 63.200 -1.078 0.000 0.769 475 S HN 0.324 nan 8.310 nan 0.000 0.536 476 S N 1.506 116.972 115.700 -0.389 0.000 2.597 476 S HA 0.280 4.752 4.470 0.002 0.000 0.224 476 S C 0.180 174.700 174.600 -0.133 0.000 0.955 476 S CA -0.667 57.406 58.200 -0.212 0.000 0.933 476 S CB -0.509 62.572 63.200 -0.199 0.000 0.788 476 S HN 0.465 nan 8.310 nan 0.000 0.488 477 N N 0.971 119.596 118.700 -0.126 0.000 2.524 477 N HA 0.162 4.903 4.740 0.002 0.000 0.283 477 N C 0.711 176.284 175.510 0.105 0.000 1.142 477 N CA -0.179 52.875 53.050 0.007 0.000 0.984 477 N CB 0.691 39.181 38.487 0.006 0.000 1.155 477 N HN 0.240 nan 8.380 nan 0.000 0.467 478 F N 3.241 123.203 119.950 0.019 0.000 2.032 478 F HA -0.291 4.238 4.527 0.002 0.000 0.297 478 F C 2.088 177.857 175.800 -0.052 0.000 1.125 478 F CA 1.601 59.599 58.000 -0.004 0.000 1.202 478 F CB -0.374 38.632 39.000 0.010 0.000 0.958 478 F HN 0.575 nan 8.300 nan 0.000 0.491 479 I N -0.104 120.270 120.570 -0.327 0.000 2.264 479 I HA -0.276 3.895 4.170 0.002 0.000 0.248 479 I C 2.004 177.712 176.117 -0.682 0.000 1.111 479 I CA 1.663 62.568 61.300 -0.658 0.000 1.382 479 I CB -0.882 36.731 38.000 -0.645 0.000 1.060 479 I HN 0.200 nan 8.210 nan 0.000 0.418 480 F N 0.100 119.878 119.950 -0.286 0.000 2.206 480 F HA -0.054 4.474 4.527 0.002 0.000 0.298 480 F C 2.339 178.024 175.800 -0.193 0.000 1.090 480 F CA 1.195 59.075 58.000 -0.200 0.000 1.323 480 F CB -0.569 38.364 39.000 -0.113 0.000 1.028 480 F HN -0.011 nan 8.300 nan 0.000 0.492 481 I N 0.435 120.963 120.570 -0.071 0.000 2.226 481 I HA -0.324 3.848 4.170 0.002 0.000 0.245 481 I C 2.605 178.622 176.117 -0.167 0.000 1.100 481 I CA 1.826 63.064 61.300 -0.102 0.000 1.374 481 I CB -0.643 37.291 38.000 -0.111 0.000 1.057 481 I HN 0.284 nan 8.210 nan 0.000 0.413 482 Q N 1.179 120.787 119.800 -0.320 0.000 2.137 482 Q HA -0.116 4.226 4.340 0.002 0.000 0.198 482 Q C 2.223 178.083 176.000 -0.234 0.000 0.960 482 Q CA 1.171 56.788 55.803 -0.309 0.000 0.847 482 Q CB -0.410 28.041 28.738 -0.478 0.000 0.915 482 Q HN 0.452 nan 8.270 nan 0.000 0.448 483 L N 1.026 122.093 121.223 -0.260 0.000 2.131 483 L HA -0.129 4.213 4.340 0.002 0.000 0.210 483 L C 2.216 179.021 176.870 -0.108 0.000 1.092 483 L CA 1.505 56.228 54.840 -0.195 0.000 0.759 483 L CB -0.360 41.557 42.059 -0.237 0.000 0.903 483 L HN 0.383 nan 8.230 nan 0.000 0.435 484 T N -1.462 113.051 114.554 -0.068 0.000 2.770 484 T HA -0.212 4.139 4.350 0.002 0.000 0.263 484 T C 1.453 176.134 174.700 -0.031 0.000 1.039 484 T CA 1.590 63.676 62.100 -0.023 0.000 1.142 484 T CB -0.200 68.683 68.868 0.024 0.000 0.868 484 T HN 0.311 nan 8.240 nan 0.000 0.435 485 D N 0.487 120.857 120.400 -0.049 0.000 2.149 485 D HA -0.035 4.607 4.640 0.002 0.000 0.198 485 D C 1.959 178.233 176.300 -0.044 0.000 0.990 485 D CA 0.719 54.696 54.000 -0.039 0.000 0.839 485 D CB -0.182 40.586 40.800 -0.053 0.000 0.948 485 D HN 0.320 nan 8.370 nan 0.000 0.460 486 I N -0.461 120.068 120.570 -0.069 0.000 2.142 486 I HA -0.247 3.924 4.170 0.002 0.000 0.240 486 I C 2.255 178.338 176.117 -0.057 0.000 1.078 486 I CA 0.602 61.861 61.300 -0.069 0.000 1.343 486 I CB -0.194 37.749 38.000 -0.094 0.000 1.046 486 I HN -0.016 nan 8.210 nan 0.000 0.405 487 V N 1.152 121.026 119.914 -0.066 0.000 2.380 487 V HA -0.311 3.810 4.120 0.002 0.000 0.251 487 V C 1.724 177.802 176.094 -0.027 0.000 1.063 487 V CA 1.970 64.228 62.300 -0.070 0.000 1.055 487 V CB -0.979 30.775 31.823 -0.116 0.000 0.657 487 V HN 0.465 nan 8.190 nan 0.000 0.455 488 N N -0.340 118.361 118.700 0.003 0.000 2.609 488 N HA -0.056 4.685 4.740 0.002 0.000 0.190 488 N C 1.462 176.988 175.510 0.025 0.000 1.157 488 N CA 1.098 54.176 53.050 0.046 0.000 0.918 488 N CB 0.173 38.690 38.487 0.051 0.000 0.978 488 N HN 0.486 nan 8.380 nan 0.000 0.448 489 S N -2.832 112.869 115.700 0.002 0.000 2.692 489 S HA 0.025 4.496 4.470 0.002 0.000 0.269 489 S C 1.656 176.249 174.600 -0.010 0.000 1.080 489 S CA -0.131 58.067 58.200 -0.003 0.000 1.058 489 S CB 0.104 63.297 63.200 -0.012 0.000 0.982 489 S HN 0.300 nan 8.310 nan 0.000 0.534 490 T N 2.124 116.664 114.554 -0.022 0.000 2.674 490 T HA -0.073 4.278 4.350 0.002 0.000 0.265 490 T C 1.039 175.727 174.700 -0.020 0.000 1.039 490 T CA 1.637 63.719 62.100 -0.030 0.000 1.150 490 T CB -0.150 68.688 68.868 -0.049 0.000 0.864 490 T HN 0.224 nan 8.240 nan 0.000 0.427 491 E N 0.639 120.831 120.200 -0.013 0.000 2.465 491 E HA 0.364 4.715 4.350 0.002 0.000 0.195 491 E C 0.731 177.345 176.600 0.023 0.000 1.028 491 E CA 0.055 56.456 56.400 0.001 0.000 0.899 491 E CB 0.242 29.941 29.700 -0.002 0.000 1.032 491 E HN 0.361 nan 8.360 nan 0.000 0.468 492 S N 0.083 115.795 115.700 0.020 0.000 3.533 492 S HA -0.237 4.235 4.470 0.002 0.000 0.347 492 S C 0.590 175.221 174.600 0.052 0.000 1.101 492 S CA 1.016 59.233 58.200 0.028 0.000 1.009 492 S CB -1.043 62.168 63.200 0.018 0.000 0.916 492 S HN 0.190 nan 8.310 nan 0.000 0.496 493 K N 1.733 122.187 120.400 0.091 0.000 2.627 493 K HA 0.549 4.871 4.320 0.002 0.000 0.269 493 K C 0.786 177.470 176.600 0.141 0.000 1.029 493 K CA -0.362 56.020 56.287 0.159 0.000 1.026 493 K CB 0.301 33.019 32.500 0.364 0.000 1.350 493 K HN 0.419 nan 8.250 nan 0.000 0.506 494 K N 0.123 120.613 120.400 0.150 0.000 3.088 494 K HA 0.246 4.567 4.320 0.002 0.000 0.193 494 K C -1.387 175.227 176.600 0.024 0.000 1.176 494 K CA -0.479 55.852 56.287 0.074 0.000 0.907 494 K CB 0.178 32.676 32.500 -0.004 0.000 1.139 494 K HN 0.222 nan 8.250 nan 0.000 0.597 495 Y N 0.674 120.978 120.300 0.006 0.000 2.376 495 Y HA 0.254 4.805 4.550 0.002 0.000 0.325 495 Y C 1.005 176.913 175.900 0.013 0.000 1.199 495 Y CA -0.944 57.164 58.100 0.014 0.000 1.206 495 Y CB 1.455 39.927 38.460 0.020 0.000 1.229 495 Y HN 0.361 nan 8.280 nan 0.000 0.480 496 N N 0.164 118.959 118.700 0.158 0.000 2.398 496 N HA 0.106 4.848 4.740 0.002 0.000 0.188 496 N C -0.680 174.885 175.510 0.090 0.000 1.122 496 N CA 0.263 53.367 53.050 0.090 0.000 0.866 496 N CB 0.392 38.908 38.487 0.049 0.000 0.970 496 N HN 0.465 nan 8.380 nan 0.000 0.462 497 S N -1.722 114.069 115.700 0.151 0.000 2.718 497 S HA 0.135 4.606 4.470 0.002 0.000 0.271 497 S C -0.572 174.148 174.600 0.200 0.000 0.999 497 S CA -0.680 57.609 58.200 0.150 0.000 0.899 497 S CB -0.494 62.769 63.200 0.105 0.000 1.148 497 S HN -0.013 nan 8.310 nan 0.000 0.463 498 L N 1.830 123.197 121.223 0.241 0.000 2.599 498 L HA 0.240 4.581 4.340 0.002 0.000 0.230 498 L C 0.692 177.575 176.870 0.022 0.000 1.141 498 L CA 0.619 55.504 54.840 0.076 0.000 0.877 498 L CB -0.427 41.656 42.059 0.040 0.000 1.009 498 L HN 0.581 nan 8.230 nan 0.000 0.447 499 F N -0.918 119.003 119.950 -0.048 0.000 2.695 499 F HA 0.098 4.626 4.527 0.002 0.000 0.303 499 F C 2.280 178.085 175.800 0.007 0.000 1.091 499 F CA -0.299 57.665 58.000 -0.059 0.000 1.300 499 F CB -0.293 38.608 39.000 -0.165 0.000 1.071 499 F HN 0.013 nan 8.300 nan 0.000 0.578 500 Q N 0.843 120.782 119.800 0.231 0.000 2.029 500 Q HA -0.232 4.109 4.340 0.002 0.000 0.209 500 Q C 1.718 177.825 176.000 0.179 0.000 0.999 500 Q CA 1.849 57.773 55.803 0.201 0.000 0.857 500 Q CB -0.458 28.424 28.738 0.240 0.000 0.926 500 Q HN 0.478 nan 8.270 nan 0.000 0.415 501 N N 0.277 119.085 118.700 0.181 0.000 2.006 501 N HA -0.135 4.607 4.740 0.002 0.000 0.196 501 N C 1.922 177.519 175.510 0.145 0.000 1.057 501 N CA 1.390 54.529 53.050 0.149 0.000 0.853 501 N CB -0.656 37.914 38.487 0.138 0.000 1.051 501 N HN 0.059 nan 8.380 nan 0.000 0.423 502 V N 1.605 121.596 119.914 0.129 0.000 3.186 502 V HA -0.141 3.980 4.120 0.002 0.000 0.270 502 V C 2.155 178.361 176.094 0.186 0.000 1.149 502 V CA 1.238 63.633 62.300 0.158 0.000 1.160 502 V CB -0.639 31.246 31.823 0.102 0.000 0.758 502 V HN 0.364 nan 8.190 nan 0.000 0.516 503 E N -0.028 120.280 120.200 0.181 0.000 2.216 503 E HA -0.077 4.274 4.350 0.002 0.000 0.192 503 E C 1.934 178.715 176.600 0.302 0.000 0.973 503 E CA 0.390 56.929 56.400 0.233 0.000 0.851 503 E CB 0.156 29.983 29.700 0.210 0.000 0.804 503 E HN 0.585 nan 8.360 nan 0.000 0.477 504 N N 1.177 120.003 118.700 0.211 0.000 2.333 504 N HA -0.094 4.648 4.740 0.002 0.000 0.178 504 N C 0.959 176.548 175.510 0.131 0.000 1.018 504 N CA 0.825 53.962 53.050 0.146 0.000 0.882 504 N CB -0.005 38.546 38.487 0.106 0.000 0.984 504 N HN 0.211 nan 8.380 nan 0.000 0.434 505 D N 0.290 120.798 120.400 0.180 0.000 2.178 505 D HA -0.148 4.493 4.640 0.002 0.000 0.201 505 D C 1.591 177.970 176.300 0.133 0.000 0.980 505 D CA 0.857 54.943 54.000 0.144 0.000 0.842 505 D CB -0.268 40.633 40.800 0.168 0.000 0.948 505 D HN 0.277 nan 8.370 nan 0.000 0.472 506 Y N 1.652 121.959 120.300 0.012 0.000 2.163 506 Y HA -0.114 4.438 4.550 0.002 0.000 0.288 506 Y C 2.409 178.190 175.900 -0.198 0.000 1.136 506 Y CA 0.986 59.055 58.100 -0.051 0.000 1.147 506 Y CB -0.302 38.172 38.460 0.024 0.000 0.987 506 Y HN 0.036 nan 8.280 nan 0.000 0.509 507 E N -0.176 119.962 120.200 -0.103 0.000 2.072 507 E HA -0.190 4.162 4.350 0.002 0.000 0.191 507 E C 2.013 178.565 176.600 -0.080 0.000 0.985 507 E CA 1.283 57.575 56.400 -0.179 0.000 0.801 507 E CB -0.118 29.504 29.700 -0.130 0.000 0.750 507 E HN 0.445 nan 8.360 nan 0.000 0.452 508 K N 0.912 121.293 120.400 -0.032 0.000 2.057 508 K HA -0.002 4.319 4.320 0.002 0.000 0.206 508 K C 1.177 177.752 176.600 -0.042 0.000 1.050 508 K CA 0.719 56.992 56.287 -0.023 0.000 0.935 508 K CB -0.072 32.428 32.500 -0.002 0.000 0.715 508 K HN 0.020 nan 8.250 nan 0.000 0.439 512 T N 0.170 114.707 114.554 -0.028 0.000 2.983 512 T HA 0.090 4.442 4.350 0.002 0.000 0.137 512 T C -0.917 173.757 174.700 -0.043 0.000 0.821 512 T CA -0.522 61.560 62.100 -0.029 0.000 0.834 512 T CB -0.528 68.321 68.868 -0.032 0.000 1.666 512 T HN 0.280 nan 8.240 nan 0.000 0.299 516 N N 1.050 119.756 118.700 0.010 0.000 2.025 516 N HA -0.095 4.647 4.740 0.002 0.000 0.194 516 N C 1.608 177.136 175.510 0.032 0.000 1.044 516 N CA 1.947 55.021 53.050 0.039 0.000 0.851 516 N CB -0.503 37.957 38.487 -0.045 0.000 1.036 516 N HN 0.182 nan 8.380 nan 0.000 0.422 517 S N 0.800 116.457 115.700 -0.072 0.000 2.387 517 S HA -0.033 4.439 4.470 0.002 0.000 0.230 517 S C 2.001 176.610 174.600 0.014 0.000 1.035 517 S CA 0.597 58.754 58.200 -0.071 0.000 1.014 517 S CB -0.230 62.919 63.200 -0.085 0.000 0.836 517 S HN 0.238 nan 8.310 nan 0.000 0.466 518 I N 0.266 120.851 120.570 0.024 0.000 2.252 518 I HA -0.139 4.032 4.170 0.002 0.000 0.245 518 I C 2.138 178.288 176.117 0.054 0.000 1.102 518 I CA 0.865 62.185 61.300 0.034 0.000 1.385 518 I CB -0.232 37.788 38.000 0.032 0.000 1.064 518 I HN 0.197 nan 8.210 nan 0.000 0.414 519 V N 0.493 120.460 119.914 0.088 0.000 2.223 519 V HA -0.337 3.785 4.120 0.002 0.000 0.244 519 V C 2.331 178.486 176.094 0.103 0.000 1.045 519 V CA 2.109 64.464 62.300 0.092 0.000 1.000 519 V CB -0.828 31.065 31.823 0.116 0.000 0.635 519 V HN 0.374 nan 8.190 nan 0.000 0.445 520 H N 0.080 119.145 119.070 -0.008 0.000 2.267 520 H HA -0.237 4.321 4.556 0.002 0.000 0.291 520 H C 2.447 177.760 175.328 -0.025 0.000 1.094 520 H CA 2.467 58.508 56.048 -0.012 0.000 1.227 520 H CB -0.343 29.411 29.762 -0.013 0.000 1.351 520 H HN 0.198 nan 8.280 nan 0.000 0.483 521 R N -0.127 120.436 120.500 0.105 0.000 2.139 521 R HA -0.092 4.249 4.340 0.002 0.000 0.243 521 R C 2.317 178.607 176.300 -0.017 0.000 1.145 521 R CA 1.309 57.420 56.100 0.019 0.000 0.976 521 R CB -0.249 30.043 30.300 -0.012 0.000 0.866 521 R HN 0.374 nan 8.270 nan 0.000 0.449 522 I N -0.378 120.188 120.570 -0.008 0.000 2.277 522 I HA -0.248 3.923 4.170 0.002 0.000 0.243 522 I C 2.573 178.664 176.117 -0.044 0.000 1.094 522 I CA 0.998 62.280 61.300 -0.030 0.000 1.393 522 I CB -0.382 37.609 38.000 -0.014 0.000 1.078 522 I HN 0.326 nan 8.210 nan 0.000 0.417 523 Q N 1.871 121.646 119.800 -0.042 0.000 2.062 523 Q HA -0.286 4.055 4.340 0.002 0.000 0.209 523 Q C 2.099 178.056 176.000 -0.072 0.000 0.996 523 Q CA 2.108 57.871 55.803 -0.066 0.000 0.859 523 Q CB -0.024 28.656 28.738 -0.096 0.000 0.920 523 Q HN 0.411 nan 8.270 nan 0.000 0.415 524 K N 0.189 120.557 120.400 -0.053 0.000 2.103 524 K HA -0.148 4.173 4.320 0.002 0.000 0.207 524 K C 2.179 178.743 176.600 -0.061 0.000 1.048 524 K CA 1.319 57.578 56.287 -0.047 0.000 0.930 524 K CB -0.213 32.272 32.500 -0.025 0.000 0.716 524 K HN 0.294 nan 8.250 nan 0.000 0.444 525 L N 1.038 122.222 121.223 -0.066 0.000 2.291 525 L HA -0.085 4.257 4.340 0.002 0.000 0.214 525 L C 2.010 178.830 176.870 -0.083 0.000 1.120 525 L CA 0.516 55.312 54.840 -0.075 0.000 0.799 525 L CB 0.075 42.083 42.059 -0.085 0.000 0.925 525 L HN 0.190 nan 8.230 nan 0.000 0.446 526 L N -0.933 120.231 121.223 -0.098 0.000 2.049 526 L HA -0.158 4.184 4.340 0.002 0.000 0.203 526 L C 2.615 179.373 176.870 -0.187 0.000 1.074 526 L CA 0.913 55.672 54.840 -0.134 0.000 0.749 526 L CB -0.358 41.615 42.059 -0.144 0.000 0.907 526 L HN 0.146 nan 8.230 nan 0.000 0.439 527 K N 0.061 120.342 120.400 -0.198 0.000 2.034 527 K HA -0.317 4.004 4.320 0.002 0.000 0.214 527 K C 1.833 178.371 176.600 -0.104 0.000 1.051 527 K CA 1.888 58.056 56.287 -0.198 0.000 0.931 527 K CB -0.486 31.965 32.500 -0.083 0.000 0.715 527 K HN 0.385 nan 8.250 nan 0.000 0.446 528 E N 0.545 120.700 120.200 -0.075 0.000 2.171 528 E HA -0.202 4.149 4.350 0.002 0.000 0.197 528 E C 1.706 178.286 176.600 -0.034 0.000 0.997 528 E CA 1.985 58.356 56.400 -0.048 0.000 0.810 528 E CB 0.062 29.733 29.700 -0.049 0.000 0.738 528 E HN 0.495 nan 8.360 nan 0.000 0.467 529 T N -1.769 112.756 114.554 -0.049 0.000 3.035 529 T HA 0.040 4.391 4.350 0.002 0.000 0.259 529 T C 1.798 176.504 174.700 0.009 0.000 1.078 529 T CA 0.195 62.280 62.100 -0.025 0.000 1.132 529 T CB -0.175 68.668 68.868 -0.043 0.000 0.900 529 T HN 0.130 nan 8.240 nan 0.000 0.480 530 L N 0.438 121.656 121.223 -0.008 0.000 2.645 530 L HA 0.303 4.645 4.340 0.002 0.000 0.235 530 L C 2.677 179.715 176.870 0.281 0.000 1.150 530 L CA -0.148 54.758 54.840 0.111 0.000 0.911 530 L CB -0.429 41.596 42.059 -0.057 0.000 1.077 530 L HN 0.167 nan 8.230 nan 0.000 0.438 531 R N 0.243 120.844 120.500 0.169 0.000 2.073 531 R HA -0.133 4.208 4.340 0.002 0.000 0.234 531 R C 1.935 178.373 176.300 0.231 0.000 1.134 531 R CA 1.403 57.602 56.100 0.164 0.000 0.952 531 R CB -0.287 30.046 30.300 0.055 0.000 0.850 531 R HN 0.447 nan 8.270 nan 0.000 0.433 532 N N 0.300 119.113 118.700 0.188 0.000 2.104 532 N HA -0.218 4.523 4.740 0.002 0.000 0.190 532 N C 1.672 177.328 175.510 0.244 0.000 1.024 532 N CA 1.265 54.421 53.050 0.177 0.000 0.853 532 N CB -0.400 38.167 38.487 0.132 0.000 1.008 532 N HN 0.249 nan 8.380 nan 0.000 0.424 533 Y N 0.522 120.928 120.300 0.176 0.000 2.274 533 Y HA -0.164 4.388 4.550 0.002 0.000 0.290 533 Y C 2.169 178.238 175.900 0.282 0.000 1.145 533 Y CA 0.976 59.202 58.100 0.209 0.000 1.203 533 Y CB -0.479 38.105 38.460 0.207 0.000 0.984 533 Y HN -0.031 nan 8.280 nan 0.000 0.533 534 F N 1.287 121.363 119.950 0.210 0.000 2.146 534 F HA -0.121 4.407 4.527 0.002 0.000 0.298 534 F C 2.364 178.194 175.800 0.051 0.000 1.096 534 F CA 1.791 59.861 58.000 0.116 0.000 1.275 534 F CB -0.365 38.730 39.000 0.158 0.000 1.008 534 F HN -0.099 nan 8.300 nan 0.000 0.480 535 K N 1.464 122.062 120.400 0.331 0.000 2.486 535 K HA -0.015 4.306 4.320 0.002 0.000 0.194 535 K C 0.477 177.108 176.600 0.052 0.000 1.033 535 K CA 0.200 56.606 56.287 0.199 0.000 1.004 535 K CB -0.694 31.909 32.500 0.171 0.000 0.798 535 K HN 0.298 nan 8.250 nan 0.000 0.495 536 I N 1.976 122.538 120.570 -0.014 0.000 2.813 536 I HA -0.146 4.026 4.170 0.002 0.000 0.287 536 I C 1.294 177.333 176.117 -0.130 0.000 1.196 536 I CA 0.332 61.541 61.300 -0.152 0.000 1.421 536 I CB 0.924 38.691 38.000 -0.388 0.000 1.365 536 I HN 0.121 nan 8.210 nan 0.000 0.591 537 S N 0.138 115.724 115.700 -0.191 0.000 2.649 537 S HA -0.016 4.456 4.470 0.002 0.000 0.246 537 S C 1.341 175.832 174.600 -0.182 0.000 1.057 537 S CA -0.077 58.053 58.200 -0.116 0.000 1.051 537 S CB 0.086 63.244 63.200 -0.071 0.000 1.018 537 S HN 0.699 nan 8.310 nan 0.000 0.569 538 T N 1.394 115.753 114.554 -0.326 0.000 2.969 538 T HA -0.135 4.216 4.350 0.002 0.000 0.271 538 T C 0.893 175.451 174.700 -0.237 0.000 1.127 538 T CA 1.277 63.196 62.100 -0.301 0.000 1.102 538 T CB -0.850 67.785 68.868 -0.387 0.000 0.855 538 T HN 0.636 nan 8.240 nan 0.000 0.536 539 W N 2.184 123.421 121.300 -0.106 0.000 2.389 539 W HA -0.143 4.519 4.660 0.002 0.000 0.267 539 W C 2.178 178.633 176.519 -0.106 0.000 1.219 539 W CA 0.661 57.928 57.345 -0.130 0.000 1.189 539 W CB -0.340 28.823 29.460 -0.495 0.000 1.129 539 W HN 0.367 nan 8.180 nan 0.000 0.581 540 S N -3.193 112.556 115.700 0.081 0.000 2.847 540 S HA 0.179 4.650 4.470 0.002 0.000 0.254 540 S C 0.289 174.919 174.600 0.050 0.000 1.039 540 S CA -0.337 57.905 58.200 0.070 0.000 1.113 540 S CB 0.243 63.450 63.200 0.012 0.000 1.092 540 S HN -0.056 nan 8.310 nan 0.000 0.620 541 T N 2.997 117.566 114.554 0.025 0.000 3.533 541 T HA 0.509 4.861 4.350 0.002 0.000 0.275 541 T C -0.670 174.032 174.700 0.003 0.000 1.000 541 T CA -0.473 61.633 62.100 0.010 0.000 1.015 541 T CB -0.066 68.794 68.868 -0.014 0.000 1.153 541 T HN 0.491 nan 8.240 nan 0.000 0.504 542 L N -1.235 120.003 121.223 0.025 0.000 2.388 542 L HA 0.979 5.320 4.340 0.002 0.000 0.264 542 L C -0.502 176.390 176.870 0.036 0.000 0.998 542 L CA -0.929 53.920 54.840 0.015 0.000 0.817 542 L CB 1.722 43.778 42.059 -0.005 0.000 1.338 542 L HN 0.014 nan 8.230 nan 0.000 0.414 553 S N 0.625 116.333 115.700 0.012 0.000 2.411 553 S HA 0.520 4.991 4.470 0.002 0.000 0.294 553 S C 0.661 175.289 174.600 0.046 0.000 1.115 553 S CA -0.352 57.857 58.200 0.016 0.000 1.071 553 S CB 0.912 64.123 63.200 0.019 0.000 0.967 553 S HN 0.535 nan 8.310 nan 0.000 0.488 554 S N 2.867 118.597 115.700 0.050 0.000 2.589 554 S HA 0.605 5.077 4.470 0.002 0.000 0.265 554 S C -0.040 174.745 174.600 0.309 0.000 1.342 554 S CA -0.646 57.645 58.200 0.151 0.000 1.005 554 S CB 0.400 63.661 63.200 0.101 0.000 0.909 554 S HN 0.845 nan 8.310 nan 0.000 0.555 555 V N 1.918 122.005 119.914 0.289 0.000 2.932 555 V HA 0.515 4.637 4.120 0.002 0.000 0.307 555 V C -2.487 173.553 176.094 -0.091 0.000 1.147 555 V CA -1.893 60.471 62.300 0.105 0.000 0.951 555 V CB 2.105 33.962 31.823 0.055 0.000 1.031 555 V HN 0.906 nan 8.190 nan 0.000 0.426 556 P HA 0.153 nan 4.420 nan 0.000 0.271 556 P C -0.079 177.199 177.300 -0.038 0.000 1.216 556 P CA 0.039 62.989 63.100 -0.249 0.000 0.771 556 P CB 0.737 32.271 31.700 -0.277 0.000 0.864 557 S N 2.270 118.013 115.700 0.071 0.000 2.810 557 S HA -0.012 4.460 4.470 0.002 0.000 0.329 557 S C 1.876 176.521 174.600 0.076 0.000 1.231 557 S CA 0.293 58.549 58.200 0.094 0.000 1.042 557 S CB -0.008 63.313 63.200 0.202 0.000 0.756 557 S HN 0.601 nan 8.310 nan 0.000 0.504 558 A N 3.936 126.776 122.820 0.034 0.000 2.009 558 A HA -0.211 4.111 4.320 0.002 0.000 0.222 558 A C 2.016 179.630 177.584 0.051 0.000 1.175 558 A CA 1.716 53.769 52.037 0.027 0.000 0.651 558 A CB -0.381 18.625 19.000 0.010 0.000 0.815 558 A HN 0.892 nan 8.150 nan 0.000 0.459 559 E N -0.544 119.711 120.200 0.092 0.000 2.511 559 E HA -0.045 4.306 4.350 0.002 0.000 0.196 559 E C 1.370 178.071 176.600 0.169 0.000 1.066 559 E CA 0.640 57.119 56.400 0.131 0.000 0.871 559 E CB -0.264 29.528 29.700 0.153 0.000 0.863 559 E HN 0.559 nan 8.360 nan 0.000 0.520 560 L N 0.476 121.779 121.223 0.132 0.000 2.585 560 L HA 0.069 4.410 4.340 0.002 0.000 0.226 560 L C 1.819 178.671 176.870 -0.030 0.000 1.113 560 L CA 0.351 55.192 54.840 0.002 0.000 0.876 560 L CB 0.240 42.241 42.059 -0.096 0.000 1.072 560 L HN -0.183 nan 8.230 nan 0.000 0.468 561 V N 0.599 120.511 119.914 -0.004 0.000 2.215 561 V HA -0.387 3.734 4.120 0.002 0.000 0.249 561 V C 2.303 178.385 176.094 -0.020 0.000 1.054 561 V CA 2.392 64.682 62.300 -0.016 0.000 1.012 561 V CB -0.931 30.889 31.823 -0.004 0.000 0.639 561 V HN 0.654 nan 8.190 nan 0.000 0.448 562 N N -0.015 118.681 118.700 -0.007 0.000 2.258 562 N HA -0.160 4.581 4.740 0.002 0.000 0.187 562 N C 1.676 177.173 175.510 -0.022 0.000 1.012 562 N CA 1.581 54.625 53.050 -0.010 0.000 0.870 562 N CB -0.139 38.349 38.487 0.001 0.000 0.977 562 N HN 0.498 nan 8.380 nan 0.000 0.434 563 S N -0.641 115.039 115.700 -0.033 0.000 2.461 563 S HA 0.091 4.562 4.470 0.002 0.000 0.228 563 S C 1.740 176.302 174.600 -0.062 0.000 1.005 563 S CA 0.422 58.590 58.200 -0.055 0.000 0.942 563 S CB -0.005 63.148 63.200 -0.078 0.000 0.776 563 S HN 0.375 nan 8.310 nan 0.000 0.514 564 I N 1.677 122.210 120.570 -0.061 0.000 2.480 564 I HA -0.038 4.133 4.170 0.002 0.000 0.251 564 I C 2.147 178.236 176.117 -0.046 0.000 1.124 564 I CA 0.545 61.806 61.300 -0.064 0.000 1.444 564 I CB -0.355 37.602 38.000 -0.071 0.000 1.098 564 I HN 0.173 nan 8.210 nan 0.000 0.428 565 N N 0.914 119.593 118.700 -0.034 0.000 2.223 565 N HA -0.111 4.631 4.740 0.002 0.000 0.185 565 N C 1.915 177.414 175.510 -0.017 0.000 1.016 565 N CA 1.137 54.173 53.050 -0.022 0.000 0.863 565 N CB 0.039 38.517 38.487 -0.015 0.000 0.983 565 N HN 0.169 nan 8.380 nan 0.000 0.429 566 V N 1.006 120.906 119.914 -0.022 0.000 2.302 566 V HA -0.121 4.000 4.120 0.002 0.000 0.243 566 V C 2.307 178.391 176.094 -0.018 0.000 1.036 566 V CA 0.751 63.040 62.300 -0.018 0.000 1.020 566 V CB -0.447 31.358 31.823 -0.029 0.000 0.657 566 V HN 0.159 nan 8.190 nan 0.000 0.453 567 L N 0.623 121.827 121.223 -0.033 0.000 2.187 567 L HA -0.159 4.183 4.340 0.002 0.000 0.213 567 L C 2.472 179.330 176.870 -0.021 0.000 1.100 567 L CA 1.997 56.818 54.840 -0.032 0.000 0.765 567 L CB -0.710 41.319 42.059 -0.049 0.000 0.904 567 L HN 0.289 nan 8.230 nan 0.000 0.437 568 R N -0.346 120.140 120.500 -0.022 0.000 2.075 568 R HA -0.141 4.201 4.340 0.002 0.000 0.232 568 R C 2.511 178.811 176.300 0.000 0.000 1.126 568 R CA 1.724 57.814 56.100 -0.016 0.000 0.963 568 R CB -0.533 29.754 30.300 -0.021 0.000 0.858 568 R HN 0.359 nan 8.270 nan 0.000 0.435 569 R N 0.285 120.792 120.500 0.011 0.000 2.062 569 R HA -0.007 4.334 4.340 0.002 0.000 0.229 569 R C 2.096 178.432 176.300 0.060 0.000 1.128 569 R CA 1.526 57.645 56.100 0.032 0.000 0.960 569 R CB -0.270 30.056 30.300 0.043 0.000 0.855 569 R HN 0.341 nan 8.270 nan 0.000 0.432 570 L N 0.419 121.680 121.223 0.064 0.000 2.141 570 L HA -0.129 4.213 4.340 0.002 0.000 0.209 570 L C 2.373 179.283 176.870 0.068 0.000 1.094 570 L CA 0.496 55.394 54.840 0.096 0.000 0.763 570 L CB -0.290 41.799 42.059 0.049 0.000 0.908 570 L HN 0.176 nan 8.230 nan 0.000 0.437 571 I N 0.223 120.812 120.570 0.031 0.000 2.617 571 I HA -0.150 4.022 4.170 0.002 0.000 0.256 571 I C 1.951 178.078 176.117 0.018 0.000 1.167 571 I CA 1.095 62.407 61.300 0.019 0.000 1.469 571 I CB -0.373 37.627 38.000 0.000 0.000 1.098 571 I HN 0.145 nan 8.210 nan 0.000 0.436 572 N N -0.012 118.698 118.700 0.016 0.000 2.396 572 N HA -0.116 4.625 4.740 0.002 0.000 0.180 572 N C 1.780 177.292 175.510 0.003 0.000 1.028 572 N CA 0.762 53.816 53.050 0.006 0.000 0.893 572 N CB 0.060 38.548 38.487 0.003 0.000 0.967 572 N HN 0.060 nan 8.380 nan 0.000 0.440 573 K N 0.023 120.434 120.400 0.019 0.000 2.186 573 K HA 0.047 4.368 4.320 0.002 0.000 0.202 573 K C 1.640 178.243 176.600 0.006 0.000 1.052 573 K CA 0.309 56.595 56.287 -0.003 0.000 0.965 573 K CB -0.155 32.373 32.500 0.046 0.000 0.746 573 K HN 0.188 nan 8.250 nan 0.000 0.457 574 L N 1.488 122.730 121.223 0.031 0.000 2.131 574 L HA -0.074 4.267 4.340 0.002 0.000 0.206 574 L C 1.352 178.230 176.870 0.014 0.000 1.087 574 L CA 1.710 56.567 54.840 0.028 0.000 0.767 574 L CB -0.147 41.933 42.059 0.035 0.000 0.917 574 L HN 0.028 nan 8.230 nan 0.000 0.441 575 D N -0.558 119.847 120.400 0.009 0.000 2.348 575 D HA -0.021 4.621 4.640 0.002 0.000 0.216 575 D C 1.087 177.387 176.300 -0.001 0.000 0.970 575 D CA 0.831 54.835 54.000 0.006 0.000 0.889 575 D CB 0.109 40.911 40.800 0.003 0.000 0.912 575 D HN 0.503 nan 8.370 nan 0.000 0.524 579 I N 1.615 122.220 120.570 0.058 0.000 2.603 579 I HA 0.483 4.655 4.170 0.002 0.000 0.300 579 I C -1.800 174.358 176.117 0.069 0.000 1.017 579 I CA -2.044 59.297 61.300 0.068 0.000 1.098 579 I CB 2.095 40.124 38.000 0.047 0.000 1.279 579 I HN -0.006 nan 8.210 nan 0.000 0.437 580 P HA -0.008 nan 4.420 nan 0.000 0.268 580 P C 0.466 177.796 177.300 0.050 0.000 1.205 580 P CA -0.334 62.810 63.100 0.074 0.000 0.771 580 P CB 1.265 33.016 31.700 0.084 0.000 0.858 581 L N 3.737 124.986 121.223 0.044 0.000 2.131 581 L HA -0.145 4.197 4.340 0.002 0.000 0.210 581 L C 2.422 179.308 176.870 0.027 0.000 1.092 581 L CA 2.178 57.037 54.840 0.032 0.000 0.759 581 L CB -1.531 40.545 42.059 0.028 0.000 0.903 581 L HN 0.529 nan 8.230 nan 0.000 0.435 582 A N -0.260 122.578 122.820 0.029 0.000 1.883 582 A HA -0.223 4.099 4.320 0.002 0.000 0.217 582 A C 2.279 179.874 177.584 0.018 0.000 1.186 582 A CA 2.258 54.308 52.037 0.022 0.000 0.624 582 A CB -0.815 18.199 19.000 0.023 0.000 0.822 582 A HN 0.486 nan 8.150 nan 0.000 0.444 583 I N -0.881 119.701 120.570 0.020 0.000 2.353 583 I HA -0.175 3.997 4.170 0.002 0.000 0.248 583 I C 2.762 178.891 176.117 0.020 0.000 1.119 583 I CA 1.287 62.597 61.300 0.016 0.000 1.417 583 I CB -0.238 37.771 38.000 0.015 0.000 1.078 583 I HN 0.407 nan 8.210 nan 0.000 0.421 584 S N 1.043 116.756 115.700 0.023 0.000 2.383 584 S HA -0.132 4.339 4.470 0.002 0.000 0.229 584 S C 1.973 176.585 174.600 0.019 0.000 1.030 584 S CA 1.339 59.552 58.200 0.022 0.000 1.002 584 S CB -0.140 63.073 63.200 0.022 0.000 0.829 584 S HN 0.354 nan 8.310 nan 0.000 0.467 585 L N 0.093 121.327 121.223 0.017 0.000 2.162 585 L HA 0.062 4.403 4.340 0.002 0.000 0.205 585 L C 2.511 179.391 176.870 0.017 0.000 1.086 585 L CA 0.851 55.700 54.840 0.015 0.000 0.778 585 L CB -0.534 41.531 42.059 0.011 0.000 0.928 585 L HN 0.217 nan 8.230 nan 0.000 0.446 586 K N 0.291 120.702 120.400 0.017 0.000 2.044 586 K HA -0.180 4.141 4.320 0.002 0.000 0.210 586 K C 2.041 178.656 176.600 0.025 0.000 1.049 586 K CA 1.467 57.765 56.287 0.020 0.000 0.927 586 K CB -0.447 32.063 32.500 0.017 0.000 0.713 586 K HN 0.033 nan 8.250 nan 0.000 0.443 587 V N 1.573 121.502 119.914 0.025 0.000 2.220 587 V HA -0.315 3.806 4.120 0.002 0.000 0.246 587 V C 2.079 178.188 176.094 0.026 0.000 1.049 587 V CA 1.856 64.173 62.300 0.028 0.000 1.003 587 V CB -0.407 31.432 31.823 0.027 0.000 0.634 587 V HN 0.308 nan 8.190 nan 0.000 0.444 588 K N 0.078 120.491 120.400 0.020 0.000 2.074 588 K HA -0.279 4.043 4.320 0.002 0.000 0.209 588 K C 2.031 178.643 176.600 0.020 0.000 1.048 588 K CA 2.134 58.430 56.287 0.016 0.000 0.926 588 K CB -0.367 32.140 32.500 0.012 0.000 0.713 588 K HN 0.519 nan 8.250 nan 0.000 0.444 589 N N 0.726 119.440 118.700 0.024 0.000 2.216 589 N HA -0.163 4.579 4.740 0.002 0.000 0.183 589 N C 1.771 177.306 175.510 0.042 0.000 1.017 589 N CA 1.061 54.130 53.050 0.032 0.000 0.861 589 N CB 0.117 38.621 38.487 0.028 0.000 0.986 589 N HN 0.029 nan 8.380 nan 0.000 0.428 590 E N 0.568 120.791 120.200 0.039 0.000 2.106 590 E HA -0.064 4.287 4.350 0.002 0.000 0.192 590 E C 1.963 178.589 176.600 0.043 0.000 0.984 590 E CA 0.530 56.957 56.400 0.045 0.000 0.806 590 E CB -0.351 29.377 29.700 0.047 0.000 0.750 590 E HN 0.452 nan 8.360 nan 0.000 0.458 591 L N 0.111 121.355 121.223 0.035 0.000 2.131 591 L HA -0.198 4.143 4.340 0.002 0.000 0.210 591 L C 2.481 179.376 176.870 0.042 0.000 1.092 591 L CA 0.533 55.389 54.840 0.028 0.000 0.759 591 L CB -0.306 41.761 42.059 0.014 0.000 0.903 591 L HN 0.194 nan 8.230 nan 0.000 0.435 592 L N 0.212 121.463 121.223 0.047 0.000 2.046 592 L HA -0.205 4.136 4.340 0.002 0.000 0.208 592 L C 1.976 178.914 176.870 0.113 0.000 1.077 592 L CA 1.892 56.774 54.840 0.070 0.000 0.747 592 L CB -0.648 41.451 42.059 0.067 0.000 0.896 592 L HN 0.231 nan 8.230 nan 0.000 0.432 593 N N -1.069 117.689 118.700 0.097 0.000 2.120 593 N HA -0.172 4.570 4.740 0.002 0.000 0.188 593 N C 1.775 177.356 175.510 0.119 0.000 1.024 593 N CA 1.692 54.806 53.050 0.107 0.000 0.852 593 N CB -0.440 38.100 38.487 0.089 0.000 1.003 593 N HN 0.226 nan 8.380 nan 0.000 0.424 594 V N 1.202 121.174 119.914 0.097 0.000 2.332 594 V HA -0.203 3.919 4.120 0.002 0.000 0.248 594 V C 2.013 178.214 176.094 0.179 0.000 1.055 594 V CA 1.433 63.794 62.300 0.100 0.000 1.038 594 V CB -0.608 31.241 31.823 0.044 0.000 0.651 594 V HN 0.323 nan 8.190 nan 0.000 0.450 595 I N -0.497 120.185 120.570 0.187 0.000 2.394 595 I HA -0.163 4.008 4.170 0.002 0.000 0.251 595 I C 2.391 178.781 176.117 0.454 0.000 1.136 595 I CA 0.956 62.438 61.300 0.304 0.000 1.425 595 I CB -0.382 37.727 38.000 0.182 0.000 1.079 595 I HN 0.154 nan 8.210 nan 0.000 0.425 596 V N 1.203 121.306 119.914 0.316 0.000 2.358 596 V HA -0.233 3.889 4.120 0.002 0.000 0.246 596 V C 2.237 178.474 176.094 0.238 0.000 1.047 596 V CA 1.731 64.171 62.300 0.233 0.000 1.035 596 V CB -0.679 31.207 31.823 0.105 0.000 0.658 596 V HN 0.449 nan 8.190 nan 0.000 0.452 597 N N -0.417 118.413 118.700 0.216 0.000 2.025 597 N HA -0.237 4.505 4.740 0.002 0.000 0.194 597 N C 1.865 177.513 175.510 0.230 0.000 1.044 597 N CA 2.088 55.247 53.050 0.182 0.000 0.851 597 N CB -0.537 38.041 38.487 0.151 0.000 1.036 597 N HN 0.577 nan 8.380 nan 0.000 0.422 598 Y N 0.753 121.160 120.300 0.179 0.000 2.181 598 Y HA -0.233 4.319 4.550 0.002 0.000 0.284 598 Y C 2.079 178.064 175.900 0.142 0.000 1.179 598 Y CA 1.560 59.754 58.100 0.156 0.000 1.179 598 Y CB -0.493 38.059 38.460 0.153 0.000 0.973 598 Y HN -0.039 nan 8.280 nan 0.000 0.519 599 F N -0.882 119.193 119.950 0.209 0.000 2.206 599 F HA -0.156 4.372 4.527 0.002 0.000 0.298 599 F C 2.473 178.361 175.800 0.146 0.000 1.090 599 F CA 1.900 59.996 58.000 0.159 0.000 1.323 599 F CB -0.804 38.235 39.000 0.065 0.000 1.028 599 F HN -0.095 nan 8.300 nan 0.000 0.492 600 T N -0.908 113.786 114.554 0.234 0.000 2.812 600 T HA -0.089 4.262 4.350 0.002 0.000 0.264 600 T C 1.743 176.447 174.700 0.007 0.000 1.042 600 T CA 1.284 63.446 62.100 0.104 0.000 1.140 600 T CB -0.024 68.876 68.868 0.053 0.000 0.870 600 T HN 0.090 nan 8.240 nan 0.000 0.445 601 E N 0.873 121.068 120.200 -0.009 0.000 2.166 601 E HA 0.167 4.518 4.350 0.002 0.000 0.192 601 E C 2.366 178.889 176.600 -0.128 0.000 0.967 601 E CA 0.491 56.863 56.400 -0.048 0.000 0.840 601 E CB -0.235 29.464 29.700 -0.001 0.000 0.795 601 E HN 0.304 nan 8.360 nan 0.000 0.470 602 S N 0.169 115.708 115.700 -0.268 0.000 2.458 602 S HA 0.079 4.551 4.470 0.002 0.000 0.223 602 S C 1.695 175.966 174.600 -0.548 0.000 1.019 602 S CA 0.419 58.360 58.200 -0.432 0.000 0.937 602 S CB 0.288 62.936 63.200 -0.920 0.000 0.788 602 S HN 0.052 nan 8.310 nan 0.000 0.511 603 I N -0.428 119.905 120.570 -0.395 0.000 3.570 603 I HA 0.240 4.411 4.170 0.002 0.000 0.270 603 I C 1.643 177.642 176.117 -0.196 0.000 1.162 603 I CA 0.256 61.353 61.300 -0.338 0.000 1.413 603 I CB -0.447 37.415 38.000 -0.230 0.000 1.437 603 I HN 0.117 nan 8.210 nan 0.000 0.457 604 L N 1.026 122.168 121.223 -0.135 0.000 1.961 604 L HA -0.106 4.235 4.340 0.002 0.000 0.210 604 L C 2.327 179.153 176.870 -0.074 0.000 1.072 604 L CA 2.003 56.698 54.840 -0.241 0.000 0.749 604 L CB -0.556 41.256 42.059 -0.412 0.000 0.889 604 L HN 0.094 nan 8.230 nan 0.000 0.432 605 K N -0.928 119.412 120.400 -0.100 0.000 2.442 605 K HA -0.069 4.253 4.320 0.002 0.000 0.198 605 K C 1.297 177.846 176.600 -0.086 0.000 1.044 605 K CA 0.869 57.113 56.287 -0.072 0.000 0.948 605 K CB -0.051 32.415 32.500 -0.057 0.000 0.762 605 K HN 0.380 nan 8.250 nan 0.000 0.472 606 L N 0.562 121.700 121.223 -0.142 0.000 2.857 606 L HA 0.209 4.550 4.340 0.002 0.000 0.249 606 L C -0.261 176.472 176.870 -0.229 0.000 1.172 606 L CA -0.401 54.336 54.840 -0.173 0.000 0.980 606 L CB 0.159 42.087 42.059 -0.218 0.000 1.299 606 L HN 0.039 nan 8.230 nan 0.000 0.535 607 N N 0.226 118.759 118.700 -0.279 0.000 2.647 607 N HA 0.425 5.166 4.740 0.002 0.000 0.266 607 N C -1.054 174.146 175.510 -0.518 0.000 1.373 607 N CA -0.713 52.055 53.050 -0.470 0.000 0.807 607 N CB 2.177 40.160 38.487 -0.841 0.000 1.513 607 N HN -0.072 nan 8.380 nan 0.000 0.505 608 K N 0.903 120.975 120.400 -0.547 0.000 2.244 608 K HA 0.528 4.849 4.320 0.002 0.000 0.260 608 K C -1.050 175.253 176.600 -0.494 0.000 0.951 608 K CA -0.380 55.707 56.287 -0.334 0.000 0.826 608 K CB 1.306 33.720 32.500 -0.143 0.000 1.108 608 K HN 0.321 nan 8.250 nan 0.000 0.433 609 F N 1.192 121.144 119.950 0.002 0.000 2.556 609 F HA 0.328 4.857 4.527 0.002 0.000 0.327 609 F C 0.479 176.360 175.800 0.134 0.000 1.059 609 F CA -1.000 57.042 58.000 0.069 0.000 0.953 609 F CB 1.393 40.382 39.000 -0.018 0.000 1.227 609 F HN 0.570 nan 8.300 nan 0.000 0.478 610 N N -0.630 118.289 118.700 0.365 0.000 2.531 610 N HA 0.300 5.041 4.740 0.002 0.000 0.290 610 N C 0.397 176.064 175.510 0.261 0.000 1.257 610 N CA -0.892 52.367 53.050 0.348 0.000 0.863 610 N CB 0.604 39.232 38.487 0.235 0.000 1.320 610 N HN 0.680 nan 8.380 nan 0.000 0.538 611 Q N 0.090 119.926 119.800 0.058 0.000 2.062 611 Q HA -0.314 4.027 4.340 0.002 0.000 0.209 611 Q C 0.781 176.709 176.000 -0.119 0.000 0.996 611 Q CA 2.558 58.087 55.803 -0.456 0.000 0.859 611 Q CB -0.380 27.984 28.738 -0.624 0.000 0.920 611 Q HN 0.686 nan 8.270 nan 0.000 0.415 612 N N -0.416 118.291 118.700 0.011 0.000 2.018 612 N HA -0.141 4.600 4.740 0.002 0.000 0.196 612 N C 1.638 177.256 175.510 0.181 0.000 1.043 612 N CA 1.696 54.791 53.050 0.076 0.000 0.856 612 N CB -0.841 37.696 38.487 0.084 0.000 1.042 612 N HN 0.452 nan 8.380 nan 0.000 0.423 613 G N -0.028 108.945 108.800 0.288 0.000 2.470 613 G HA2 -0.178 3.784 3.960 0.002 0.000 0.220 613 G HA3 -0.178 3.784 3.960 0.002 0.000 0.220 613 G C 1.348 176.584 174.900 0.560 0.000 1.121 613 G CA 0.325 45.764 45.100 0.565 0.000 0.766 613 G HN 0.179 nan 8.290 nan 0.000 0.553 614 L N 0.430 121.800 121.223 0.245 0.000 2.313 614 L HA 0.185 4.526 4.340 0.002 0.000 0.214 614 L C 2.115 179.018 176.870 0.055 0.000 1.119 614 L CA 0.922 55.734 54.840 -0.047 0.000 0.809 614 L CB -0.140 41.864 42.059 -0.092 0.000 0.933 614 L HN 0.099 nan 8.230 nan 0.000 0.449 615 N N -1.357 117.423 118.700 0.132 0.000 2.368 615 N HA -0.113 4.628 4.740 0.002 0.000 0.178 615 N C 1.657 177.328 175.510 0.267 0.000 1.021 615 N CA 0.473 53.607 53.050 0.141 0.000 0.875 615 N CB 0.005 38.533 38.487 0.068 0.000 1.020 615 N HN 0.229 nan 8.380 nan 0.000 0.433 616 Q N 1.164 121.175 119.800 0.351 0.000 2.096 616 Q HA -0.140 4.201 4.340 0.002 0.000 0.208 616 Q C 1.838 178.184 176.000 0.576 0.000 0.993 616 Q CA 1.430 57.500 55.803 0.445 0.000 0.862 616 Q CB -0.776 28.243 28.738 0.469 0.000 0.915 616 Q HN 0.374 nan 8.270 nan 0.000 0.416 617 F N -0.183 120.050 119.950 0.473 0.000 2.091 617 F HA -0.227 4.301 4.527 0.002 0.000 0.299 617 F C 1.654 177.608 175.800 0.257 0.000 1.103 617 F CA 1.659 59.846 58.000 0.312 0.000 1.228 617 F CB -0.246 38.631 39.000 -0.204 0.000 0.984 617 F HN 0.155 nan 8.300 nan 0.000 0.477 618 L N -0.899 120.472 121.223 0.247 0.000 2.156 618 L HA -0.207 4.134 4.340 0.002 0.000 0.208 618 L C 2.593 179.558 176.870 0.159 0.000 1.095 618 L CA 1.560 56.449 54.840 0.082 0.000 0.770 618 L CB -0.881 41.232 42.059 0.090 0.000 0.914 618 L HN 0.330 nan 8.230 nan 0.000 0.439 619 H N -0.182 118.946 119.070 0.098 0.000 2.307 619 H HA -0.183 4.374 4.556 0.002 0.000 0.303 619 H C 1.766 177.119 175.328 0.042 0.000 1.073 619 H CA 1.480 57.568 56.048 0.067 0.000 1.338 619 H CB 0.389 30.204 29.762 0.089 0.000 1.389 619 H HN 0.237 nan 8.280 nan 0.000 0.503 620 D N 0.250 120.743 120.400 0.154 0.000 2.116 620 D HA -0.200 4.441 4.640 0.002 0.000 0.193 620 D C 1.914 178.185 176.300 -0.049 0.000 0.998 620 D CA 1.256 55.320 54.000 0.108 0.000 0.836 620 D CB -0.564 40.512 40.800 0.459 0.000 0.951 620 D HN 0.337 nan 8.370 nan 0.000 0.449 621 F N 1.703 121.432 119.950 -0.369 0.000 2.043 621 F HA -0.209 4.319 4.527 0.002 0.000 0.297 621 F C 1.981 177.469 175.800 -0.520 0.000 1.121 621 F CA 1.636 59.051 58.000 -0.975 0.000 1.199 621 F CB -0.188 38.136 39.000 -1.127 0.000 0.968 621 F HN -0.186 nan 8.300 nan 0.000 0.478 622 K N 0.043 120.115 120.400 -0.547 0.000 2.097 622 K HA -0.135 4.187 4.320 0.002 0.000 0.206 622 K C 2.165 178.549 176.600 -0.359 0.000 1.049 622 K CA 1.493 57.479 56.287 -0.502 0.000 0.933 622 K CB -0.474 31.966 32.500 -0.099 0.000 0.717 622 K HN 0.246 nan 8.250 nan 0.000 0.442 623 S N 1.148 116.711 115.700 -0.229 0.000 2.440 623 S HA -0.146 4.325 4.470 0.002 0.000 0.240 623 S C 1.625 176.093 174.600 -0.220 0.000 1.014 623 S CA 0.995 59.081 58.200 -0.190 0.000 0.980 623 S CB -0.050 63.018 63.200 -0.220 0.000 0.775 623 S HN 0.180 nan 8.310 nan 0.000 0.499 624 L N 0.818 121.851 121.223 -0.318 0.000 2.500 624 L HA 0.228 4.569 4.340 0.002 0.000 0.219 624 L C 2.067 178.740 176.870 -0.330 0.000 1.057 624 L CA 0.986 55.663 54.840 -0.272 0.000 0.854 624 L CB -0.345 41.592 42.059 -0.204 0.000 1.078 624 L HN 0.270 nan 8.230 nan 0.000 0.480 625 S N -1.721 113.639 115.700 -0.567 0.000 2.522 625 S HA -0.071 4.400 4.470 0.002 0.000 0.227 625 S C 1.893 176.314 174.600 -0.298 0.000 0.986 625 S CA 0.691 58.592 58.200 -0.497 0.000 0.929 625 S CB -0.644 62.022 63.200 -0.890 0.000 0.769 625 S HN 0.537 nan 8.310 nan 0.000 0.529 626 S N 1.672 117.209 115.700 -0.271 0.000 2.470 626 S HA 0.197 4.669 4.470 0.002 0.000 0.225 626 S C 1.669 176.204 174.600 -0.108 0.000 1.006 626 S CA 0.141 58.243 58.200 -0.163 0.000 0.934 626 S CB -0.805 62.308 63.200 -0.145 0.000 0.778 626 S HN 0.549 nan 8.310 nan 0.000 0.517 627 I N 1.695 122.198 120.570 -0.112 0.000 2.614 627 I HA -0.055 4.116 4.170 0.002 0.000 0.258 627 I C 1.825 177.909 176.117 -0.055 0.000 1.189 627 I CA 0.701 61.956 61.300 -0.074 0.000 1.462 627 I CB -0.422 37.535 38.000 -0.072 0.000 1.092 627 I HN 0.297 nan 8.210 nan 0.000 0.442 628 L N 0.416 121.601 121.223 -0.063 0.000 2.450 628 L HA -0.201 4.140 4.340 0.002 0.000 0.225 628 L C 1.316 178.175 176.870 -0.018 0.000 1.145 628 L CA 0.448 55.266 54.840 -0.037 0.000 0.801 628 L CB -0.776 41.261 42.059 -0.037 0.000 0.924 628 L HN 0.283 nan 8.230 nan 0.000 0.447 629 S N -0.110 115.578 115.700 -0.020 0.000 3.419 629 S HA -0.197 4.274 4.470 0.002 0.000 0.350 629 S C 0.344 174.950 174.600 0.010 0.000 1.128 629 S CA 0.473 58.670 58.200 -0.006 0.000 0.999 629 S CB -1.404 61.793 63.200 -0.006 0.000 0.923 629 S HN 0.364 nan 8.310 nan 0.000 0.522 630 L N 2.530 123.763 121.223 0.017 0.000 2.255 630 L HA 0.268 4.610 4.340 0.002 0.000 0.289 630 L C -1.262 175.655 176.870 0.078 0.000 1.046 630 L CA -1.674 53.184 54.840 0.031 0.000 0.816 630 L CB 1.324 43.397 42.059 0.023 0.000 1.197 630 L HN -0.054 nan 8.230 nan 0.000 0.427 631 P HA 0.110 nan 4.420 nan 0.000 0.256 631 P C 0.479 177.750 177.300 -0.048 0.000 1.384 631 P CA 0.019 63.193 63.100 0.123 0.000 0.879 631 P CB 0.637 32.379 31.700 0.069 0.000 1.403 632 S N -0.371 115.264 115.700 -0.109 0.000 2.503 632 S HA -0.035 4.436 4.470 0.002 0.000 0.215 632 S C 1.664 176.025 174.600 -0.398 0.000 1.003 632 S CA -0.117 57.931 58.200 -0.253 0.000 0.910 632 S CB -0.871 62.268 63.200 -0.101 0.000 0.790 632 S HN 0.452 nan 8.310 nan 0.000 0.514 633 H N 2.556 121.619 119.070 -0.012 0.000 1.583 633 H HA -0.390 4.167 4.556 0.002 0.000 0.120 633 H C 2.079 177.394 175.328 -0.023 0.000 1.191 633 H CA 1.967 58.006 56.048 -0.016 0.000 1.833 633 H CB -1.669 28.073 29.762 -0.032 0.000 2.184 633 H HN 0.433 nan 8.280 nan 0.000 0.929 634 A N 1.062 123.818 122.820 -0.105 0.000 1.908 634 A HA -0.157 4.164 4.320 0.002 0.000 0.218 634 A C 2.635 180.177 177.584 -0.071 0.000 1.181 634 A CA 2.789 54.799 52.037 -0.045 0.000 0.627 634 A CB -1.230 17.761 19.000 -0.015 0.000 0.818 634 A HN 0.710 nan 8.150 nan 0.000 0.445 635 T N 0.718 115.214 114.554 -0.096 0.000 3.118 635 T HA -0.087 4.264 4.350 0.002 0.000 0.269 635 T C 0.818 175.537 174.700 0.031 0.000 1.166 635 T CA 0.745 62.833 62.100 -0.020 0.000 1.073 635 T CB -0.602 68.243 68.868 -0.037 0.000 0.884 635 T HN 0.432 nan 8.240 nan 0.000 0.550 636 N N 0.615 119.324 118.700 0.014 0.000 2.406 636 N HA 0.059 4.800 4.740 0.002 0.000 0.251 636 N C 0.532 176.075 175.510 0.057 0.000 1.069 636 N CA -0.243 52.841 53.050 0.058 0.000 0.947 636 N CB 0.424 38.946 38.487 0.058 0.000 1.111 636 N HN 0.125 nan 8.380 nan 0.000 0.497 637 Y N 4.833 125.131 120.300 -0.003 0.000 2.014 637 Y HA -0.253 4.298 4.550 0.002 0.000 0.272 637 Y C 1.863 177.735 175.900 -0.046 0.000 1.164 637 Y CA 1.912 60.021 58.100 0.016 0.000 1.114 637 Y CB 0.154 38.676 38.460 0.103 0.000 0.961 637 Y HN 0.475 nan 8.280 nan 0.000 0.489 638 K N -0.237 120.225 120.400 0.103 0.000 2.281 638 K HA -0.156 4.166 4.320 0.002 0.000 0.203 638 K C 1.277 177.841 176.600 -0.060 0.000 1.046 638 K CA 0.791 57.083 56.287 0.008 0.000 0.938 638 K CB -1.058 31.498 32.500 0.094 0.000 0.737 638 K HN 0.303 nan 8.250 nan 0.000 0.458 642 L N 2.795 123.909 121.223 -0.182 0.000 2.012 642 L HA -0.005 4.336 4.340 0.002 0.000 0.210 642 L C 1.857 178.587 176.870 -0.235 0.000 1.073 642 L CA 2.418 57.118 54.840 -0.233 0.000 0.748 642 L CB -0.742 41.061 42.059 -0.426 0.000 0.891 642 L HN 0.419 nan 8.230 nan 0.000 0.431 643 H N -0.412 118.522 119.070 -0.228 0.000 2.387 643 H HA -0.114 4.444 4.556 0.002 0.000 0.299 643 H C 2.126 177.377 175.328 -0.128 0.000 1.090 643 H CA 1.918 57.867 56.048 -0.165 0.000 1.332 643 H CB 0.040 29.712 29.762 -0.149 0.000 1.386 643 H HN 0.508 nan 8.280 nan 0.000 0.516 644 E N -0.403 119.787 120.200 -0.017 0.000 2.274 644 E HA -0.091 4.260 4.350 0.002 0.000 0.194 644 E C 1.683 178.251 176.600 -0.053 0.000 0.996 644 E CA 0.300 56.683 56.400 -0.027 0.000 0.840 644 E CB 0.110 29.797 29.700 -0.021 0.000 0.772 644 E HN 0.245 nan 8.360 nan 0.000 0.491 645 L N 0.137 121.306 121.223 -0.090 0.000 2.068 645 L HA -0.098 4.244 4.340 0.002 0.000 0.204 645 L C 2.051 178.850 176.870 -0.118 0.000 1.076 645 L CA 1.273 56.048 54.840 -0.109 0.000 0.753 645 L CB -0.133 41.849 42.059 -0.128 0.000 0.910 645 L HN -0.068 nan 8.230 nan 0.000 0.439 646 V N -0.366 119.465 119.914 -0.139 0.000 2.913 646 V HA -0.220 3.902 4.120 0.002 0.000 0.260 646 V C 2.517 178.558 176.094 -0.089 0.000 1.098 646 V CA 1.592 63.798 62.300 -0.155 0.000 1.121 646 V CB -0.760 30.970 31.823 -0.155 0.000 0.714 646 V HN 0.450 nan 8.190 nan 0.000 0.487 647 K N 0.282 120.644 120.400 -0.064 0.000 2.044 647 K HA -0.001 4.321 4.320 0.002 0.000 0.204 647 K C 2.062 178.672 176.600 0.018 0.000 1.049 647 K CA 1.172 57.421 56.287 -0.062 0.000 0.945 647 K CB -0.106 32.338 32.500 -0.093 0.000 0.724 647 K HN 0.369 nan 8.250 nan 0.000 0.440 648 I N 1.277 121.878 120.570 0.052 0.000 2.361 648 I HA -0.254 3.917 4.170 0.002 0.000 0.251 648 I C 1.865 178.017 176.117 0.058 0.000 1.133 648 I CA 0.953 62.309 61.300 0.093 0.000 1.413 648 I CB -0.069 37.922 38.000 -0.015 0.000 1.073 648 I HN 0.205 nan 8.210 nan 0.000 0.424 649 L N 0.302 121.532 121.223 0.013 0.000 2.376 649 L HA -0.115 4.226 4.340 0.002 0.000 0.219 649 L C 1.902 178.838 176.870 0.111 0.000 1.133 649 L CA 0.959 55.810 54.840 0.019 0.000 0.816 649 L CB -0.322 41.705 42.059 -0.053 0.000 0.933 649 L HN 0.163 nan 8.230 nan 0.000 0.449 650 K N -0.029 120.457 120.400 0.144 0.000 2.458 650 K HA 0.064 4.386 4.320 0.002 0.000 0.194 650 K C 1.742 178.516 176.600 0.290 0.000 1.024 650 K CA -0.010 56.448 56.287 0.286 0.000 1.108 650 K CB 0.256 32.839 32.500 0.139 0.000 0.846 650 K HN 0.275 nan 8.250 nan 0.000 0.518 651 L N 0.782 122.133 121.223 0.213 0.000 2.265 651 L HA -0.210 4.131 4.340 0.002 0.000 0.215 651 L C 2.268 179.209 176.870 0.118 0.000 1.117 651 L CA 0.952 55.920 54.840 0.214 0.000 0.782 651 L CB -0.150 42.001 42.059 0.154 0.000 0.914 651 L HN 0.066 nan 8.230 nan 0.000 0.441 652 K N 0.484 120.886 120.400 0.003 0.000 2.057 652 K HA -0.192 4.129 4.320 0.002 0.000 0.207 652 K C 1.005 177.449 176.600 -0.260 0.000 1.049 652 K CA 1.752 57.897 56.287 -0.237 0.000 0.931 652 K CB -0.292 31.872 32.500 -0.561 0.000 0.714 652 K HN 0.321 nan 8.250 nan 0.000 0.440 653 Y N 0.435 120.773 120.300 0.063 0.000 2.645 653 Y HA 0.288 4.840 4.550 0.002 0.000 0.307 653 Y C -0.262 175.677 175.900 0.064 0.000 1.151 653 Y CA -0.953 57.181 58.100 0.056 0.000 1.291 653 Y CB -0.166 38.321 38.460 0.045 0.000 1.135 653 Y HN -0.049 nan 8.280 nan 0.000 0.523 654 D N 2.033 122.551 120.400 0.197 0.000 2.440 654 D HA 0.178 4.819 4.640 0.002 0.000 0.239 654 D C -2.115 174.270 176.300 0.141 0.000 1.084 654 D CA -2.089 52.021 54.000 0.183 0.000 0.843 654 D CB 2.619 43.569 40.800 0.250 0.000 1.097 654 D HN 0.038 nan 8.370 nan 0.000 0.531 655 P HA 0.049 nan 4.420 nan 0.000 0.234 655 P C 0.400 177.746 177.300 0.078 0.000 1.175 655 P CA 0.269 63.418 63.100 0.081 0.000 0.801 655 P CB 0.739 32.479 31.700 0.066 0.000 0.891 656 N N 0.140 118.901 118.700 0.101 0.000 2.467 656 N HA 0.001 4.742 4.740 0.002 0.000 0.184 656 N C 0.894 176.474 175.510 0.116 0.000 1.106 656 N CA 0.549 53.656 53.050 0.095 0.000 0.892 656 N CB -0.254 38.295 38.487 0.102 0.000 0.969 656 N HN 0.124 nan 8.380 nan 0.000 0.454 657 N N -0.472 118.330 118.700 0.169 0.000 2.167 657 N HA 0.003 4.744 4.740 0.002 0.000 0.234 657 N C 0.346 175.978 175.510 0.204 0.000 1.312 657 N CA 0.046 53.234 53.050 0.230 0.000 0.861 657 N CB 0.580 39.337 38.487 0.450 0.000 1.217 657 N HN 0.075 nan 8.380 nan 0.000 0.504 658 Q N 1.344 121.212 119.800 0.113 0.000 2.585 658 Q HA -0.146 4.196 4.340 0.002 0.000 0.219 658 Q C 0.750 176.760 176.000 0.017 0.000 0.984 658 Q CA 1.379 57.229 55.803 0.079 0.000 0.915 658 Q CB -0.014 28.749 28.738 0.042 0.000 0.967 658 Q HN 0.348 nan 8.270 nan 0.000 0.530 659 Q N -2.307 117.440 119.800 -0.088 0.000 2.280 659 Q HA 0.138 4.479 4.340 0.002 0.000 0.201 659 Q C 0.261 176.069 176.000 -0.320 0.000 0.890 659 Q CA 0.331 55.995 55.803 -0.231 0.000 0.947 659 Q CB -0.187 28.344 28.738 -0.345 0.000 1.081 659 Q HN 0.341 nan 8.270 nan 0.000 0.502 660 F N -0.174 119.755 119.950 -0.035 0.000 2.714 660 F HA 0.272 4.800 4.527 0.002 0.000 0.294 660 F C 1.132 177.024 175.800 0.152 0.000 1.120 660 F CA 0.038 58.095 58.000 0.095 0.000 1.398 660 F CB 0.315 39.381 39.000 0.110 0.000 1.120 660 F HN 0.012 nan 8.300 nan 0.000 0.589 661 L N 0.901 122.254 121.223 0.216 0.000 2.650 661 L HA -0.030 4.312 4.340 0.002 0.000 0.235 661 L C 0.087 177.000 176.870 0.073 0.000 1.149 661 L CA -0.133 54.777 54.840 0.116 0.000 0.887 661 L CB -1.390 40.709 42.059 0.068 0.000 1.021 661 L HN 0.192 nan 8.230 nan 0.000 0.441 662 N N -0.400 118.350 118.700 0.084 0.000 2.430 662 N HA 0.104 4.845 4.740 0.002 0.000 0.265 662 N C -1.524 174.024 175.510 0.064 0.000 1.100 662 N CA -1.425 51.655 53.050 0.049 0.000 0.961 662 N CB 0.637 39.132 38.487 0.013 0.000 1.075 662 N HN -0.179 nan 8.380 nan 0.000 0.478 663 P HA -0.262 nan 4.420 nan 0.000 0.218 663 P C 0.396 177.718 177.300 0.038 0.000 1.152 663 P CA 1.600 64.728 63.100 0.048 0.000 0.857 663 P CB 0.289 32.025 31.700 0.059 0.000 0.787 664 E N -1.078 119.146 120.200 0.040 0.000 2.085 664 E HA -0.214 4.137 4.350 0.002 0.000 0.194 664 E C 2.205 178.831 176.600 0.045 0.000 0.994 664 E CA 1.138 57.558 56.400 0.033 0.000 0.801 664 E CB -1.178 28.537 29.700 0.025 0.000 0.743 664 E HN 0.314 nan 8.360 nan 0.000 0.453 665 Y N 0.886 121.131 120.300 -0.092 0.000 2.184 665 Y HA -0.099 4.452 4.550 0.002 0.000 0.290 665 Y C 1.852 177.634 175.900 -0.196 0.000 1.129 665 Y CA 1.064 59.083 58.100 -0.134 0.000 1.144 665 Y CB -0.320 38.082 38.460 -0.097 0.000 0.995 665 Y HN -0.031 nan 8.280 nan 0.000 0.513 666 I N 0.258 120.691 120.570 -0.229 0.000 2.091 666 I HA -0.396 3.775 4.170 0.002 0.000 0.239 666 I C 2.390 178.284 176.117 -0.371 0.000 1.061 666 I CA 1.940 63.013 61.300 -0.379 0.000 1.317 666 I CB -0.498 37.258 38.000 -0.406 0.000 1.031 666 I HN 0.135 nan 8.210 nan 0.000 0.401 667 K N 0.141 120.424 120.400 -0.195 0.000 2.152 667 K HA -0.165 4.157 4.320 0.002 0.000 0.206 667 K C 2.048 178.562 176.600 -0.144 0.000 1.048 667 K CA 1.782 58.016 56.287 -0.088 0.000 0.933 667 K CB -0.296 32.213 32.500 0.016 0.000 0.721 667 K HN 0.369 nan 8.250 nan 0.000 0.447 668 T N -0.385 114.042 114.554 -0.211 0.000 2.665 668 T HA -0.173 4.179 4.350 0.002 0.000 0.268 668 T C 1.447 175.963 174.700 -0.307 0.000 1.035 668 T CA 1.766 63.734 62.100 -0.219 0.000 1.151 668 T CB -0.442 68.306 68.868 -0.200 0.000 0.862 668 T HN 0.596 nan 8.240 nan 0.000 0.438 669 G N 1.224 109.685 108.800 -0.565 0.000 2.157 669 G HA2 -0.230 3.731 3.960 0.002 0.000 0.248 669 G HA3 -0.230 3.731 3.960 0.002 0.000 0.248 669 G C 0.094 174.608 174.900 -0.643 0.000 0.979 669 G CA 0.064 44.845 45.100 -0.532 0.000 0.650 669 G HN 0.556 nan 8.290 nan 0.000 0.529 670 N N 0.139 118.379 118.700 -0.767 0.000 2.511 670 N HA 0.550 5.291 4.740 0.002 0.000 0.249 670 N C -0.710 174.485 175.510 -0.526 0.000 0.971 670 N CA -0.506 52.287 53.050 -0.428 0.000 0.938 670 N CB 0.278 38.667 38.487 -0.164 0.000 1.131 670 N HN 0.042 nan 8.380 nan 0.000 0.505 671 F N 1.677 121.590 119.950 -0.062 0.000 2.578 671 F HA 0.291 4.819 4.527 0.002 0.000 0.314 671 F C 1.607 177.451 175.800 0.073 0.000 1.225 671 F CA -0.522 57.482 58.000 0.007 0.000 1.215 671 F CB 0.702 39.643 39.000 -0.099 0.000 1.448 671 F HN 0.240 nan 8.300 nan 0.000 0.548 672 T N -1.909 112.782 114.554 0.229 0.000 3.051 672 T HA -0.072 4.280 4.350 0.002 0.000 0.255 672 T C 2.095 176.899 174.700 0.173 0.000 1.085 672 T CA 0.905 63.101 62.100 0.159 0.000 1.109 672 T CB 0.157 69.087 68.868 0.104 0.000 0.921 672 T HN 0.301 nan 8.240 nan 0.000 0.488 673 S N 1.828 117.684 115.700 0.260 0.000 2.345 673 S HA 0.043 4.514 4.470 0.002 0.000 0.219 673 S C 1.859 176.632 174.600 0.288 0.000 1.031 673 S CA 0.563 58.929 58.200 0.277 0.000 0.984 673 S CB -0.409 62.958 63.200 0.279 0.000 0.874 673 S HN 0.226 nan 8.310 nan 0.000 0.451 674 L N 2.123 123.499 121.223 0.254 0.000 2.201 674 L HA 0.133 4.475 4.340 0.002 0.000 0.212 674 L C 2.004 178.766 176.870 -0.180 0.000 1.105 674 L CA 1.621 56.227 54.840 -0.390 0.000 0.775 674 L CB -0.470 41.166 42.059 -0.706 0.000 0.913 674 L HN 0.122 nan 8.230 nan 0.000 0.440 675 K N -0.924 119.481 120.400 0.008 0.000 2.280 675 K HA -0.138 4.183 4.320 0.002 0.000 0.202 675 K C 1.510 178.138 176.600 0.046 0.000 1.047 675 K CA 1.169 57.472 56.287 0.026 0.000 0.942 675 K CB 0.223 32.759 32.500 0.060 0.000 0.739 675 K HN 0.378 nan 8.250 nan 0.000 0.457 676 E N -0.266 119.969 120.200 0.059 0.000 2.127 676 E HA -0.004 4.348 4.350 0.002 0.000 0.191 676 E C 1.900 178.558 176.600 0.096 0.000 0.964 676 E CA 0.813 57.257 56.400 0.073 0.000 0.832 676 E CB -0.258 29.488 29.700 0.076 0.000 0.790 676 E HN 0.290 nan 8.360 nan 0.000 0.465 677 A N 0.533 123.413 122.820 0.099 0.000 1.933 677 A HA -0.121 4.201 4.320 0.002 0.000 0.218 677 A C 1.662 179.454 177.584 0.347 0.000 1.175 677 A CA 1.039 53.178 52.037 0.170 0.000 0.628 677 A CB -0.669 18.416 19.000 0.142 0.000 0.814 677 A HN 0.308 nan 8.150 nan 0.000 0.444 678 Y N -0.086 120.192 120.300 -0.036 0.000 2.467 678 Y HA 0.113 4.664 4.550 0.002 0.000 0.250 678 Y C 1.265 177.154 175.900 -0.019 0.000 1.155 678 Y CA 0.158 58.232 58.100 -0.043 0.000 1.249 678 Y CB 0.352 38.754 38.460 -0.097 0.000 1.146 678 Y HN 0.522 nan 8.280 nan 0.000 0.524 679 S N 0.054 115.841 115.700 0.147 0.000 3.631 679 S HA -0.253 4.218 4.470 0.002 0.000 0.366 679 S C -0.323 174.331 174.600 0.090 0.000 0.993 679 S CA 0.014 58.270 58.200 0.093 0.000 1.167 679 S CB -2.677 60.568 63.200 0.074 0.000 0.909 679 S HN 0.319 nan 8.310 nan 0.000 0.478 680 I N 1.494 122.113 120.570 0.083 0.000 2.436 680 I HA 0.284 4.455 4.170 0.002 0.000 0.289 680 I C 1.339 177.488 176.117 0.053 0.000 1.083 680 I CA 0.485 61.828 61.300 0.071 0.000 1.372 680 I CB 0.848 38.862 38.000 0.023 0.000 1.408 680 I HN 0.377 nan 8.210 nan 0.000 0.516 681 K N 4.479 124.938 120.400 0.098 0.000 2.391 681 K HA 0.130 4.451 4.320 0.002 0.000 0.197 681 K C 0.470 176.885 176.600 -0.308 0.000 1.087 681 K CA 0.503 56.735 56.287 -0.092 0.000 1.012 681 K CB 0.498 32.907 32.500 -0.151 0.000 0.925 681 K HN 0.458 nan 8.250 nan 0.000 0.547 682 Y N 0.777 121.027 120.300 -0.084 0.000 2.447 682 Y HA 0.174 4.726 4.550 0.002 0.000 0.286 682 Y C 0.585 176.395 175.900 -0.150 0.000 1.153 682 Y CA -0.823 57.175 58.100 -0.170 0.000 1.241 682 Y CB -0.312 37.896 38.460 -0.421 0.000 1.284 682 Y HN -0.203 nan 8.280 nan 0.000 0.520 683 L N 3.225 124.455 121.223 0.011 0.000 2.737 683 L HA -0.131 4.211 4.340 0.002 0.000 0.279 683 L C 0.158 176.996 176.870 -0.055 0.000 1.200 683 L CA 0.404 55.213 54.840 -0.051 0.000 0.952 683 L CB -0.488 41.519 42.059 -0.086 0.000 1.240 683 L HN 0.123 nan 8.230 nan 0.000 0.486 684 K N 3.805 124.187 120.400 -0.030 0.000 2.218 684 K HA 0.069 4.390 4.320 0.002 0.000 0.276 684 K C 0.926 177.478 176.600 -0.079 0.000 1.022 684 K CA -0.731 55.543 56.287 -0.022 0.000 0.946 684 K CB 0.714 33.230 32.500 0.026 0.000 1.000 684 K HN 0.506 nan 8.250 nan 0.000 0.468 685 D N 1.559 121.921 120.400 -0.063 0.000 2.339 685 D HA -0.264 4.377 4.640 0.002 0.000 0.189 685 D C 1.375 177.607 176.300 -0.112 0.000 1.022 685 D CA 2.064 56.014 54.000 -0.083 0.000 0.884 685 D CB -0.223 40.655 40.800 0.130 0.000 0.916 685 D HN 0.615 nan 8.370 nan 0.000 0.453 686 T N 1.019 115.556 114.554 -0.029 0.000 2.665 686 T HA -0.169 4.182 4.350 0.002 0.000 0.268 686 T C 1.843 176.505 174.700 -0.063 0.000 1.035 686 T CA 1.295 63.389 62.100 -0.011 0.000 1.151 686 T CB -0.097 68.779 68.868 0.014 0.000 0.862 686 T HN 0.253 nan 8.240 nan 0.000 0.438 687 K N 0.282 120.626 120.400 -0.093 0.000 2.486 687 K HA 0.195 4.517 4.320 0.002 0.000 0.194 687 K C 1.878 178.362 176.600 -0.195 0.000 1.033 687 K CA 0.475 56.698 56.287 -0.107 0.000 1.004 687 K CB -0.052 32.403 32.500 -0.075 0.000 0.798 687 K HN 0.427 nan 8.250 nan 0.000 0.495 688 I N -0.002 120.351 120.570 -0.362 0.000 2.703 688 I HA -0.151 4.020 4.170 0.002 0.000 0.259 688 I C 2.470 178.252 176.117 -0.558 0.000 1.151 688 I CA 0.390 61.364 61.300 -0.542 0.000 1.470 688 I CB -0.066 37.372 38.000 -0.937 0.000 1.112 688 I HN 0.043 nan 8.210 nan 0.000 0.437 689 Q N 2.262 121.763 119.800 -0.498 0.000 1.956 689 Q HA -0.279 4.062 4.340 0.002 0.000 0.208 689 Q C 1.730 177.645 176.000 -0.141 0.000 0.998 689 Q CA 2.692 58.383 55.803 -0.187 0.000 0.855 689 Q CB -0.278 28.463 28.738 0.005 0.000 0.928 689 Q HN 0.604 nan 8.270 nan 0.000 0.418 690 D N -0.373 120.031 120.400 0.006 0.000 2.263 690 D HA -0.156 4.486 4.640 0.002 0.000 0.208 690 D C 1.571 177.913 176.300 0.070 0.000 0.971 690 D CA 1.100 55.190 54.000 0.150 0.000 0.867 690 D CB -0.349 40.532 40.800 0.135 0.000 0.929 690 D HN 0.410 nan 8.370 nan 0.000 0.492 691 A N 1.615 124.406 122.820 -0.049 0.000 1.858 691 A HA -0.094 4.228 4.320 0.002 0.000 0.216 691 A C 2.543 180.101 177.584 -0.044 0.000 1.190 691 A CA 1.012 53.010 52.037 -0.065 0.000 0.617 691 A CB -0.866 18.055 19.000 -0.131 0.000 0.827 691 A HN 0.217 nan 8.150 nan 0.000 0.443 692 L N -2.139 119.031 121.223 -0.089 0.000 1.994 692 L HA -0.231 4.110 4.340 0.002 0.000 0.208 692 L C 2.623 179.476 176.870 -0.029 0.000 1.071 692 L CA 1.779 56.577 54.840 -0.071 0.000 0.745 692 L CB -0.918 41.077 42.059 -0.107 0.000 0.892 692 L HN 0.499 nan 8.230 nan 0.000 0.431 693 Y N 0.354 120.589 120.300 -0.107 0.000 2.228 693 Y HA -0.301 4.251 4.550 0.002 0.000 0.285 693 Y C 2.869 178.662 175.900 -0.178 0.000 1.178 693 Y CA 0.709 58.663 58.100 -0.243 0.000 1.202 693 Y CB -0.092 38.323 38.460 -0.076 0.000 0.974 693 Y HN 0.150 nan 8.280 nan 0.000 0.527 694 R N -0.168 120.417 120.500 0.142 0.000 2.148 694 R HA -0.142 4.200 4.340 0.002 0.000 0.227 694 R C 1.968 178.312 176.300 0.072 0.000 1.103 694 R CA 1.304 57.482 56.100 0.130 0.000 0.983 694 R CB -0.266 30.083 30.300 0.082 0.000 0.874 694 R HN 0.438 nan 8.270 nan 0.000 0.451 695 I N 0.410 120.993 120.570 0.023 0.000 2.162 695 I HA -0.236 3.936 4.170 0.002 0.000 0.238 695 I C 2.386 178.491 176.117 -0.019 0.000 1.076 695 I CA 1.127 62.425 61.300 -0.003 0.000 1.353 695 I CB -0.236 37.753 38.000 -0.018 0.000 1.063 695 I HN 0.056 nan 8.210 nan 0.000 0.408 696 I N 0.004 120.534 120.570 -0.067 0.000 2.315 696 I HA -0.339 3.833 4.170 0.002 0.000 0.251 696 I C 1.746 177.808 176.117 -0.092 0.000 1.125 696 I CA 1.797 63.028 61.300 -0.116 0.000 1.392 696 I CB -0.063 37.827 38.000 -0.184 0.000 1.065 696 I HN 0.246 nan 8.210 nan 0.000 0.424 697 Y N -0.061 120.268 120.300 0.048 0.000 2.471 697 Y HA 0.173 4.725 4.550 0.002 0.000 0.286 697 Y C 1.722 177.620 175.900 -0.004 0.000 1.188 697 Y CA 0.038 58.140 58.100 0.002 0.000 1.286 697 Y CB 0.332 38.776 38.460 -0.028 0.000 1.072 697 Y HN 0.323 nan 8.280 nan 0.000 0.517 698 G N 0.456 109.326 108.800 0.117 0.000 2.159 698 G HA2 -0.331 3.630 3.960 0.002 0.000 0.256 698 G HA3 -0.331 3.630 3.960 0.002 0.000 0.256 698 G C 0.941 175.874 174.900 0.055 0.000 0.977 698 G CA 0.469 45.609 45.100 0.066 0.000 0.652 698 G HN 0.396 nan 8.290 nan 0.000 0.531 699 N N -0.125 118.619 118.700 0.073 0.000 2.453 699 N HA 0.064 4.805 4.740 0.002 0.000 0.183 699 N C 0.795 176.340 175.510 0.059 0.000 1.041 699 N CA 0.878 53.959 53.050 0.052 0.000 0.900 699 N CB 0.059 38.587 38.487 0.068 0.000 0.961 699 N HN 0.578 nan 8.380 nan 0.000 0.443 700 I N 1.757 122.364 120.570 0.062 0.000 2.495 700 I HA 0.186 4.358 4.170 0.002 0.000 0.277 700 I C -0.110 176.032 176.117 0.042 0.000 1.045 700 I CA -0.398 60.957 61.300 0.092 0.000 1.135 700 I CB 1.237 39.294 38.000 0.095 0.000 1.241 700 I HN -0.201 nan 8.210 nan 0.000 0.469 701 L N 0.000 121.269 121.223 0.077 0.000 2.949 701 L HA 0.000 4.341 4.340 0.002 0.000 0.249 701 L CA 0.000 54.873 54.840 0.056 0.000 0.813 701 L CB 0.000 42.102 42.059 0.072 0.000 0.961 701 L HN 0.000 nan 8.230 nan 0.000 0.502