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 2o8c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAVQPKETLQ LESAAEVGFV RFFQGMPEKP TTTVRLFDRG DFYTAHGEDA DATA SEQUENCE LLAAREVFKT QGVIKYMGPA GAKNLQSVVL SKMNFESFVK DLLLVRQYRV DATA SEQUENCE EVYKNRAGXX XSKENDWYLA YKASPGNLSQ FEDILFGNNX XXXXIGVVGV DATA SEQUENCE KMSAVDXQRQ VGVGYVDSIQ RKLGLCEFPD NDQFSNLEAL LIQIGPKECV DATA SEQUENCE LPGGETAGDM GKLRQIIQRG GILITERKKA DFSTKDIYQD LNRXXXGKKG DATA SEQUENCE EQMNSAVLPE MENQVAVSSL SAVIKFLELL SDDSNFGQFE LTTFDFSQYM DATA SEQUENCE KLDIAAVRAL NLFQGSXXXX TGSQSLAALL NKCKTPQGQR LVNQWIKQPL DATA SEQUENCE MDKNRIEERL NLVEAFVEDA ELRQTLQEDL LRRFPDLNRL AKKFQRQAAN DATA SEQUENCE LQDCYRLYQG INQLPNVIQA LEKHEGKHQK LLLAVFVTPL TDLRSDFSKF DATA SEQUENCE QEMIETTLDM DQVENHEFLV KPSFDPNLSE LREIMNDLEK KMQSTLISAA DATA SEQUENCE RDLGLDPGKQ IKLDSSAQFG YYFRVTCKEE KVLRNNKNFS TVDIQKNGVK DATA SEQUENCE FTNSKLTSLN EEYTKNKTEY EEAQDAIVKE IVNISSGYVE PMQTLNDVLA DATA SEQUENCE QLDAVVSFAH VSNGAPVPYV RPAILEKGQG RIILKASRHA CVEVQDEIAF DATA SEQUENCE IPNDVYFEKD KQMFHIITGP NMGGKSTYIR QTGVIVLMAQ IGCFVPCESA DATA SEQUENCE EVSIVDCILA RVGXXXXXXX XXSTFMAEML ETASILRSAT KDSLIIIDEL DATA SEQUENCE GRGTSTYDGF GLAWAISEYI ATKIGAFCMF ATHFHELTAL ANQIPTVNNL DATA SEQUENCE HVTALTTEET LTMLYQVKKG VCDQSFGIHV AELANFPKHV IECAKQKALE DATA SEQUENCE LEEFQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.054 0.000 1.140 1 M CA 0.000 55.330 55.300 0.049 0.000 0.988 1 M CB 0.000 32.663 32.600 0.106 0.000 1.302 2 A N 0.663 123.498 122.820 0.025 0.000 2.109 2 A HA 0.124 4.443 4.320 -0.001 0.000 0.556 2 A C -0.110 177.555 177.584 0.134 0.000 0.434 2 A CA 0.126 52.174 52.037 0.018 0.000 0.334 2 A CB -1.692 17.236 19.000 -0.119 0.000 3.228 2 A HN 1.203 nan 8.150 nan 0.000 0.445 3 V N 4.798 124.771 119.914 0.098 0.000 2.621 3 V HA -0.092 4.027 4.120 -0.001 0.000 0.300 3 V C 1.360 177.554 176.094 0.168 0.000 1.031 3 V CA 1.443 63.805 62.300 0.103 0.000 1.210 3 V CB -0.407 31.454 31.823 0.064 0.000 0.864 3 V HN 0.872 nan 8.190 nan 0.000 0.477 4 Q N 6.902 126.779 119.800 0.129 0.000 2.361 4 Q HA 0.197 4.536 4.340 -0.001 0.000 0.276 4 Q C -1.856 174.150 176.000 0.010 0.000 1.022 4 Q CA -1.222 54.603 55.803 0.038 0.000 0.898 4 Q CB 0.312 28.939 28.738 -0.185 0.000 1.246 4 Q HN 0.592 nan 8.270 nan 0.000 0.410 5 P HA -0.002 nan 4.420 nan 0.000 0.272 5 P C -0.573 176.681 177.300 -0.077 0.000 1.223 5 P CA 0.030 63.123 63.100 -0.012 0.000 0.784 5 P CB 0.904 32.596 31.700 -0.012 0.000 0.923 6 K N 0.135 120.500 120.400 -0.058 0.000 2.116 6 K HA -0.033 4.287 4.320 -0.001 0.000 0.203 6 K C 0.412 176.935 176.600 -0.127 0.000 1.052 6 K CA 0.865 57.108 56.287 -0.073 0.000 0.952 6 K CB -0.122 32.356 32.500 -0.037 0.000 0.729 6 K HN 0.512 nan 8.250 nan 0.000 0.446 7 E N 1.482 121.576 120.200 -0.175 0.000 2.415 7 E HA -0.005 4.344 4.350 -0.001 0.000 0.262 7 E C -0.196 176.138 176.600 -0.442 0.000 1.038 7 E CA 0.337 56.541 56.400 -0.327 0.000 0.921 7 E CB 0.618 30.009 29.700 -0.514 0.000 0.950 7 E HN 0.191 nan 8.360 nan 0.000 0.438 8 T N -0.357 113.953 114.554 -0.408 0.000 2.861 8 T HA 0.420 4.770 4.350 -0.001 0.000 0.287 8 T C -0.561 173.948 174.700 -0.318 0.000 1.003 8 T CA -1.099 60.803 62.100 -0.330 0.000 0.977 8 T CB 0.792 69.554 68.868 -0.177 0.000 0.996 8 T HN 0.269 nan 8.240 nan 0.000 0.448 9 L N 3.065 124.141 121.223 -0.245 0.000 2.454 9 L HA 0.324 4.663 4.340 -0.001 0.000 0.284 9 L C -0.171 176.698 176.870 -0.001 0.000 1.139 9 L CA 0.525 55.345 54.840 -0.035 0.000 0.911 9 L CB -0.523 41.555 42.059 0.032 0.000 1.262 9 L HN 0.714 nan 8.230 nan 0.000 0.453 10 Q N 5.709 125.527 119.800 0.029 0.000 2.381 10 Q HA 0.563 4.903 4.340 -0.001 0.000 0.263 10 Q C -1.043 174.977 176.000 0.033 0.000 1.030 10 Q CA -0.360 55.454 55.803 0.018 0.000 0.772 10 Q CB 1.979 30.718 28.738 0.002 0.000 1.232 10 Q HN 0.643 nan 8.270 nan 0.000 0.476 11 L N 0.540 121.778 121.223 0.025 0.000 2.183 11 L HA 0.494 4.833 4.340 -0.001 0.000 0.253 11 L C 0.081 176.963 176.870 0.020 0.000 1.048 11 L CA -1.126 53.728 54.840 0.023 0.000 0.890 11 L CB 1.676 43.748 42.059 0.021 0.000 1.476 11 L HN 0.503 nan 8.230 nan 0.000 0.455 12 E N -0.299 119.913 120.200 0.020 0.000 2.392 12 E HA 0.047 4.396 4.350 -0.001 0.000 0.259 12 E C 0.667 177.283 176.600 0.026 0.000 1.108 12 E CA 0.219 56.631 56.400 0.019 0.000 0.916 12 E CB 0.999 30.709 29.700 0.017 0.000 0.989 12 E HN 0.646 nan 8.360 nan 0.000 0.432 13 S N 1.209 116.923 115.700 0.024 0.000 2.382 13 S HA -0.191 4.278 4.470 -0.001 0.000 0.228 13 S C 1.828 176.448 174.600 0.034 0.000 1.027 13 S CA 0.965 59.182 58.200 0.028 0.000 0.991 13 S CB -0.158 63.056 63.200 0.023 0.000 0.823 13 S HN 0.561 nan 8.310 nan 0.000 0.469 14 A N 0.802 123.641 122.820 0.031 0.000 2.169 14 A HA 0.689 5.008 4.320 -0.001 0.000 0.212 14 A C 2.171 179.782 177.584 0.045 0.000 1.153 14 A CA 0.818 52.876 52.037 0.035 0.000 0.756 14 A CB -0.686 18.331 19.000 0.028 0.000 0.813 14 A HN 0.769 nan 8.150 nan 0.000 0.471 15 A N -0.461 122.385 122.820 0.044 0.000 2.115 15 A HA 0.136 4.455 4.320 -0.001 0.000 0.211 15 A C 1.806 179.437 177.584 0.079 0.000 1.169 15 A CA 1.036 53.105 52.037 0.054 0.000 0.787 15 A CB -0.191 18.830 19.000 0.035 0.000 0.858 15 A HN 0.581 nan 8.150 nan 0.000 0.474 16 E N 0.184 120.426 120.200 0.070 0.000 2.072 16 E HA -0.105 4.244 4.350 -0.001 0.000 0.190 16 E C 1.631 178.302 176.600 0.118 0.000 0.982 16 E CA 1.402 57.853 56.400 0.085 0.000 0.803 16 E CB -0.062 29.675 29.700 0.062 0.000 0.755 16 E HN 0.257 nan 8.360 nan 0.000 0.453 17 V N 0.985 120.955 119.914 0.093 0.000 2.343 17 V HA -0.189 3.930 4.120 -0.001 0.000 0.247 17 V C 2.473 178.632 176.094 0.109 0.000 1.051 17 V CA 1.826 64.179 62.300 0.088 0.000 1.036 17 V CB -1.039 30.823 31.823 0.065 0.000 0.654 17 V HN 0.530 nan 8.190 nan 0.000 0.451 18 G N -0.983 107.889 108.800 0.120 0.000 2.475 18 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.220 18 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.220 18 G C 1.526 176.547 174.900 0.202 0.000 1.125 18 G CA 1.160 46.344 45.100 0.141 0.000 0.755 18 G HN 0.533 nan 8.290 nan 0.000 0.565 19 F N 0.620 120.599 119.950 0.048 0.000 2.317 19 F HA 0.132 4.659 4.527 -0.001 0.000 0.293 19 F C 2.580 178.386 175.800 0.010 0.000 1.085 19 F CA 0.571 58.573 58.000 0.004 0.000 1.390 19 F CB -0.041 38.884 39.000 -0.124 0.000 1.077 19 F HN -0.017 nan 8.300 nan 0.000 0.517 20 V N 1.226 121.163 119.914 0.040 0.000 2.252 20 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 20 V C 2.525 178.598 176.094 -0.034 0.000 1.056 20 V CA 2.049 64.333 62.300 -0.027 0.000 1.022 20 V CB -0.666 31.187 31.823 0.050 0.000 0.641 20 V HN 0.234 nan 8.190 nan 0.000 0.445 21 R N -1.134 119.375 120.500 0.016 0.000 2.235 21 R HA -0.013 4.326 4.340 -0.001 0.000 0.213 21 R C 1.999 178.297 176.300 -0.004 0.000 1.059 21 R CA 0.942 57.051 56.100 0.015 0.000 0.997 21 R CB -0.875 29.448 30.300 0.039 0.000 0.884 21 R HN 0.614 nan 8.270 nan 0.000 0.462 22 F N 0.173 120.024 119.950 -0.164 0.000 2.128 22 F HA -0.128 4.399 4.527 -0.001 0.000 0.295 22 F C 1.994 177.619 175.800 -0.292 0.000 1.100 22 F CA 0.887 58.769 58.000 -0.197 0.000 1.260 22 F CB -0.414 38.469 39.000 -0.194 0.000 1.009 22 F HN -0.076 nan 8.300 nan 0.000 0.476 23 F N 1.496 121.121 119.950 -0.543 0.000 2.202 23 F HA -0.218 4.308 4.527 -0.001 0.000 0.301 23 F C 2.315 177.894 175.800 -0.369 0.000 1.082 23 F CA 1.905 59.558 58.000 -0.579 0.000 1.313 23 F CB -0.530 38.063 39.000 -0.678 0.000 1.024 23 F HN 0.092 nan 8.300 nan 0.000 0.495 24 Q N -0.751 118.927 119.800 -0.204 0.000 2.172 24 Q HA -0.031 4.308 4.340 -0.001 0.000 0.200 24 Q C 2.091 177.931 176.000 -0.265 0.000 0.964 24 Q CA 1.049 56.742 55.803 -0.184 0.000 0.855 24 Q CB -0.509 28.189 28.738 -0.066 0.000 0.918 24 Q HN 0.487 nan 8.270 nan 0.000 0.444 25 G N -0.112 108.489 108.800 -0.331 0.000 3.314 25 G HA2 0.192 4.152 3.960 -0.001 0.000 0.238 25 G HA3 0.192 4.152 3.960 -0.001 0.000 0.238 25 G C 0.190 174.828 174.900 -0.436 0.000 1.184 25 G CA -0.270 44.635 45.100 -0.325 0.000 0.806 25 G HN 0.078 nan 8.290 nan 0.000 0.536 26 M N 0.792 120.070 119.600 -0.536 0.000 2.288 26 M HA 0.297 4.776 4.480 -0.001 0.000 0.334 26 M C -2.067 174.047 176.300 -0.311 0.000 1.150 26 M CA -1.718 53.281 55.300 -0.502 0.000 1.118 26 M CB 0.894 33.116 32.600 -0.629 0.000 1.501 26 M HN -0.193 nan 8.290 nan 0.000 0.462 27 P HA -0.117 nan 4.420 nan 0.000 0.264 27 P C -0.704 176.528 177.300 -0.113 0.000 1.173 27 P CA 0.246 63.278 63.100 -0.114 0.000 0.761 27 P CB 0.261 31.932 31.700 -0.049 0.000 0.794 28 E N 2.744 122.895 120.200 -0.082 0.000 2.672 28 E HA -0.143 4.206 4.350 -0.001 0.000 0.234 28 E C 0.114 176.690 176.600 -0.040 0.000 1.162 28 E CA 0.086 56.448 56.400 -0.064 0.000 0.952 28 E CB -0.096 29.581 29.700 -0.039 0.000 0.987 28 E HN 0.166 nan 8.360 nan 0.000 0.507 29 K N 6.065 126.433 120.400 -0.052 0.000 2.383 29 K HA 0.164 4.484 4.320 -0.001 0.000 0.286 29 K C -2.211 174.404 176.600 0.026 0.000 1.051 29 K CA -1.510 54.772 56.287 -0.009 0.000 0.974 29 K CB 0.549 33.036 32.500 -0.021 0.000 0.968 29 K HN 0.256 nan 8.250 nan 0.000 0.475 30 P HA 0.007 nan 4.420 nan 0.000 0.272 30 P C 0.441 177.790 177.300 0.080 0.000 1.230 30 P CA -0.377 62.752 63.100 0.049 0.000 0.788 30 P CB 0.823 32.549 31.700 0.044 0.000 0.949 31 T N -3.474 111.126 114.554 0.077 0.000 2.951 31 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 31 T C 1.324 176.131 174.700 0.178 0.000 1.073 31 T CA 1.567 63.740 62.100 0.120 0.000 1.134 31 T CB -1.324 67.599 68.868 0.090 0.000 0.884 31 T HN 0.523 nan 8.240 nan 0.000 0.479 32 T N 0.613 115.214 114.554 0.078 0.000 3.148 32 T HA 0.164 4.514 4.350 -0.001 0.000 0.253 32 T C 0.864 175.676 174.700 0.187 0.000 1.134 32 T CA 0.210 62.305 62.100 -0.008 0.000 1.051 32 T CB -0.740 68.049 68.868 -0.132 0.000 0.959 32 T HN 0.671 nan 8.240 nan 0.000 0.525 33 T N -0.414 114.263 114.554 0.206 0.000 2.925 33 T HA 0.702 5.051 4.350 -0.001 0.000 0.285 33 T C -0.755 174.058 174.700 0.188 0.000 1.021 33 T CA -0.793 61.416 62.100 0.181 0.000 1.042 33 T CB 2.003 70.945 68.868 0.122 0.000 1.037 33 T HN 0.011 nan 8.240 nan 0.000 0.481 34 V N 2.337 122.325 119.914 0.123 0.000 2.482 34 V HA 0.494 4.613 4.120 -0.001 0.000 0.295 34 V C -0.192 175.979 176.094 0.128 0.000 1.026 34 V CA -0.959 61.397 62.300 0.093 0.000 0.856 34 V CB 1.615 33.394 31.823 -0.073 0.000 1.001 34 V HN 0.871 nan 8.190 nan 0.000 0.424 35 R N 4.864 125.490 120.500 0.211 0.000 2.294 35 R HA 0.772 5.111 4.340 -0.001 0.000 0.319 35 R C -1.113 175.311 176.300 0.207 0.000 0.984 35 R CA -0.437 55.795 56.100 0.220 0.000 0.861 35 R CB 1.480 31.957 30.300 0.295 0.000 1.104 35 R HN 0.565 nan 8.270 nan 0.000 0.451 36 L N 2.992 124.284 121.223 0.114 0.000 2.319 36 L HA 0.609 4.948 4.340 -0.001 0.000 0.267 36 L C -0.867 176.016 176.870 0.021 0.000 1.011 36 L CA -0.898 54.082 54.840 0.233 0.000 0.818 36 L CB 1.431 43.728 42.059 0.397 0.000 1.316 36 L HN 0.452 nan 8.230 nan 0.000 0.432 37 F N -0.121 120.089 119.950 0.434 0.000 2.507 37 F HA 0.263 4.789 4.527 -0.001 0.000 0.328 37 F C -0.002 175.970 175.800 0.286 0.000 1.136 37 F CA -0.826 57.388 58.000 0.357 0.000 0.930 37 F CB 1.492 40.557 39.000 0.108 0.000 1.166 37 F HN 0.325 nan 8.300 nan 0.000 0.436 38 D N 2.546 123.168 120.400 0.370 0.000 2.383 38 D HA 0.206 4.845 4.640 -0.001 0.000 0.252 38 D C 0.784 177.017 176.300 -0.110 0.000 1.166 38 D CA 0.192 54.130 54.000 -0.104 0.000 0.879 38 D CB 0.922 41.669 40.800 -0.088 0.000 1.164 38 D HN 0.416 nan 8.370 nan 0.000 0.462 39 R N 2.219 122.444 120.500 -0.460 0.000 2.369 39 R HA 0.300 4.639 4.340 -0.001 0.000 0.210 39 R C 1.100 177.070 176.300 -0.550 0.000 0.881 39 R CA 0.555 56.343 56.100 -0.520 0.000 1.031 39 R CB 1.069 30.788 30.300 -0.968 0.000 1.184 39 R HN 0.659 nan 8.270 nan 0.000 0.581 40 G N 0.864 109.314 108.800 -0.584 0.000 2.067 40 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.080 40 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.080 40 G C -0.082 174.637 174.900 -0.300 0.000 2.159 40 G CA 0.065 44.944 45.100 -0.368 0.000 1.192 40 G HN 0.118 nan 8.290 nan 0.000 0.351 41 D N 0.874 121.157 120.400 -0.195 0.000 2.348 41 D HA 0.330 4.969 4.640 -0.001 0.000 0.211 41 D C 0.706 177.073 176.300 0.111 0.000 0.998 41 D CA 0.991 54.996 54.000 0.008 0.000 0.873 41 D CB 0.220 41.100 40.800 0.133 0.000 0.925 41 D HN 0.442 nan 8.370 nan 0.000 0.524 42 F N -1.942 117.945 119.950 -0.105 0.000 2.692 42 F HA 0.633 5.160 4.527 -0.001 0.000 0.320 42 F C -1.122 174.576 175.800 -0.170 0.000 1.123 42 F CA -1.526 56.457 58.000 -0.029 0.000 0.961 42 F CB 0.751 39.772 39.000 0.034 0.000 1.383 42 F HN -0.340 nan 8.300 nan 0.000 0.483 43 Y N -0.795 119.648 120.300 0.238 0.000 2.659 43 Y HA 0.717 5.266 4.550 -0.001 0.000 0.333 43 Y C -0.102 175.994 175.900 0.327 0.000 1.064 43 Y CA -1.007 57.186 58.100 0.156 0.000 1.141 43 Y CB 2.128 40.649 38.460 0.102 0.000 1.316 43 Y HN 0.844 nan 8.280 nan 0.000 0.509 44 T N 0.624 115.454 114.554 0.460 0.000 3.032 44 T HA 0.771 5.120 4.350 -0.001 0.000 0.312 44 T C -1.620 173.235 174.700 0.258 0.000 1.078 44 T CA -0.520 61.748 62.100 0.280 0.000 1.028 44 T CB 0.483 69.468 68.868 0.194 0.000 1.091 44 T HN 0.855 nan 8.240 nan 0.000 0.457 45 A N 4.413 127.252 122.820 0.031 0.000 2.312 45 A HA 0.806 5.125 4.320 -0.001 0.000 0.326 45 A C -0.630 176.806 177.584 -0.247 0.000 1.172 45 A CA -0.526 51.563 52.037 0.087 0.000 0.821 45 A CB 0.654 19.712 19.000 0.097 0.000 1.166 45 A HN 0.926 nan 8.150 nan 0.000 0.493 46 H N 0.348 119.506 119.070 0.147 0.000 2.821 46 H HA 0.564 5.119 4.556 -0.001 0.000 0.373 46 H C 0.987 176.239 175.328 -0.127 0.000 1.165 46 H CA 0.289 56.242 56.048 -0.158 0.000 1.154 46 H CB 1.794 31.209 29.762 -0.578 0.000 1.765 46 H HN 1.348 nan 8.280 nan 0.000 0.549 47 G N 1.919 110.687 108.800 -0.052 0.000 2.591 47 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.298 47 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.298 47 G C 1.077 176.066 174.900 0.148 0.000 1.195 47 G CA 0.628 45.792 45.100 0.108 0.000 0.989 47 G HN 0.609 nan 8.290 nan 0.000 0.551 48 E N 1.040 121.372 120.200 0.220 0.000 2.153 48 E HA -0.077 4.272 4.350 -0.001 0.000 0.194 48 E C 2.101 178.794 176.600 0.154 0.000 0.988 48 E CA 1.625 58.128 56.400 0.171 0.000 0.811 48 E CB -0.291 29.515 29.700 0.178 0.000 0.746 48 E HN 0.568 nan 8.360 nan 0.000 0.466 49 D N 0.379 120.897 120.400 0.197 0.000 2.234 49 D HA -0.013 4.626 4.640 -0.001 0.000 0.205 49 D C 1.798 178.167 176.300 0.115 0.000 0.962 49 D CA 0.967 55.077 54.000 0.184 0.000 0.855 49 D CB -0.154 40.802 40.800 0.260 0.000 0.951 49 D HN 0.118 nan 8.370 nan 0.000 0.500 50 A N 0.772 123.633 122.820 0.068 0.000 1.933 50 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 50 A C 2.274 179.844 177.584 -0.024 0.000 1.175 50 A CA 0.854 52.878 52.037 -0.022 0.000 0.628 50 A CB -0.677 18.272 19.000 -0.085 0.000 0.814 50 A HN 0.207 nan 8.150 nan 0.000 0.444 51 L N -1.345 119.885 121.223 0.012 0.000 2.093 51 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 51 L C 2.497 179.377 176.870 0.017 0.000 1.085 51 L CA 0.925 55.775 54.840 0.017 0.000 0.755 51 L CB -0.540 41.546 42.059 0.045 0.000 0.904 51 L HN 0.395 nan 8.230 nan 0.000 0.435 52 L N 0.063 121.308 121.223 0.037 0.000 2.156 52 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 52 L C 2.562 179.415 176.870 -0.028 0.000 1.095 52 L CA 1.661 56.526 54.840 0.042 0.000 0.770 52 L CB -0.518 41.584 42.059 0.072 0.000 0.914 52 L HN 0.133 nan 8.230 nan 0.000 0.439 53 A N -0.730 122.002 122.820 -0.147 0.000 1.872 53 A HA 0.002 4.321 4.320 -0.001 0.000 0.214 53 A C 2.428 179.854 177.584 -0.264 0.000 1.187 53 A CA 1.348 53.078 52.037 -0.511 0.000 0.614 53 A CB -1.044 17.678 19.000 -0.463 0.000 0.826 53 A HN 0.465 nan 8.150 nan 0.000 0.442 54 A N -0.244 122.541 122.820 -0.058 0.000 1.933 54 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 54 A C 2.241 179.842 177.584 0.027 0.000 1.175 54 A CA 1.563 53.637 52.037 0.062 0.000 0.628 54 A CB -0.389 18.624 19.000 0.022 0.000 0.814 54 A HN 0.537 nan 8.150 nan 0.000 0.444 55 R N -1.142 119.349 120.500 -0.014 0.000 2.173 55 R HA 0.039 4.378 4.340 -0.001 0.000 0.208 55 R C 1.559 177.844 176.300 -0.025 0.000 1.035 55 R CA 0.935 57.033 56.100 -0.003 0.000 1.004 55 R CB 0.052 30.361 30.300 0.015 0.000 0.917 55 R HN 0.457 nan 8.270 nan 0.000 0.462 56 E N -0.133 120.025 120.200 -0.070 0.000 2.206 56 E HA 0.009 4.358 4.350 -0.001 0.000 0.195 56 E C 2.061 178.560 176.600 -0.168 0.000 0.935 56 E CA 0.626 56.986 56.400 -0.066 0.000 0.875 56 E CB 0.200 29.922 29.700 0.037 0.000 0.841 56 E HN 0.024 nan 8.360 nan 0.000 0.477 57 V N 0.570 120.260 119.914 -0.373 0.000 2.300 57 V HA -0.121 3.998 4.120 -0.001 0.000 0.241 57 V C 1.845 177.589 176.094 -0.584 0.000 1.034 57 V CA 1.508 63.435 62.300 -0.620 0.000 1.021 57 V CB -0.422 30.732 31.823 -1.115 0.000 0.662 57 V HN 0.091 nan 8.190 nan 0.000 0.458 58 F N -0.313 119.562 119.950 -0.124 0.000 2.754 58 F HA 0.297 4.823 4.527 -0.001 0.000 0.297 58 F C 1.359 177.122 175.800 -0.062 0.000 1.122 58 F CA -0.232 57.716 58.000 -0.086 0.000 1.400 58 F CB -0.502 38.441 39.000 -0.095 0.000 1.117 58 F HN 0.031 nan 8.300 nan 0.000 0.587 59 K N 0.710 121.149 120.400 0.065 0.000 3.020 59 K HA -0.225 4.094 4.320 -0.001 0.000 0.266 59 K C 0.148 176.779 176.600 0.053 0.000 1.067 59 K CA 1.015 57.326 56.287 0.040 0.000 0.780 59 K CB -1.872 30.640 32.500 0.019 0.000 1.220 59 K HN 0.344 nan 8.250 nan 0.000 0.483 60 T N -1.291 113.307 114.554 0.073 0.000 2.942 60 T HA 0.222 4.572 4.350 -0.001 0.000 0.327 60 T C -0.323 174.391 174.700 0.023 0.000 1.360 60 T CA -0.694 61.430 62.100 0.040 0.000 1.055 60 T CB 1.778 70.661 68.868 0.026 0.000 1.261 60 T HN 0.172 nan 8.240 nan 0.000 0.485 61 Q N 1.987 121.790 119.800 0.006 0.000 2.280 61 Q HA 0.209 4.548 4.340 -0.001 0.000 0.202 61 Q C 1.767 177.747 176.000 -0.033 0.000 0.903 61 Q CA 0.145 55.942 55.803 -0.010 0.000 0.948 61 Q CB 0.335 29.080 28.738 0.011 0.000 1.058 61 Q HN 0.853 nan 8.270 nan 0.000 0.493 62 G N 0.640 109.412 108.800 -0.045 0.000 2.848 62 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.208 62 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.208 62 G C 1.333 176.160 174.900 -0.122 0.000 1.152 62 G CA 0.561 45.624 45.100 -0.063 0.000 0.789 62 G HN 0.336 nan 8.290 nan 0.000 0.531 63 V N -1.847 117.963 119.914 -0.173 0.000 3.590 63 V HA 0.404 4.523 4.120 -0.001 0.000 0.265 63 V C 1.084 177.039 176.094 -0.232 0.000 1.239 63 V CA -0.439 61.695 62.300 -0.276 0.000 1.117 63 V CB -0.362 31.168 31.823 -0.488 0.000 0.818 63 V HN 0.174 nan 8.190 nan 0.000 0.451 64 I N 2.756 123.210 120.570 -0.193 0.000 2.533 64 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 64 I C 0.313 176.237 176.117 -0.321 0.000 1.109 64 I CA 0.320 61.457 61.300 -0.271 0.000 1.412 64 I CB 0.416 38.238 38.000 -0.296 0.000 1.396 64 I HN 0.138 nan 8.210 nan 0.000 0.543 65 K N 6.203 126.395 120.400 -0.347 0.000 2.156 65 K HA 0.520 4.839 4.320 -0.001 0.000 0.250 65 K C -1.149 175.223 176.600 -0.380 0.000 0.955 65 K CA -0.807 55.331 56.287 -0.248 0.000 0.855 65 K CB 1.889 34.303 32.500 -0.144 0.000 1.101 65 K HN 0.281 nan 8.250 nan 0.000 0.434 66 Y N 1.312 121.605 120.300 -0.012 0.000 2.429 66 Y HA 0.490 5.039 4.550 -0.001 0.000 0.342 66 Y C 0.433 176.342 175.900 0.015 0.000 1.004 66 Y CA -0.914 57.189 58.100 0.005 0.000 1.075 66 Y CB 1.829 40.291 38.460 0.003 0.000 1.214 66 Y HN 0.432 nan 8.280 nan 0.000 0.455 67 M N 1.390 121.096 119.600 0.175 0.000 2.531 67 M HA 1.004 5.483 4.480 -0.001 0.000 0.286 67 M C -0.519 175.846 176.300 0.108 0.000 1.232 67 M CA -0.548 54.824 55.300 0.119 0.000 0.877 67 M CB 2.788 35.447 32.600 0.098 0.000 1.726 67 M HN 0.760 nan 8.290 nan 0.000 0.463 68 G N 0.916 109.768 108.800 0.085 0.000 2.368 68 G HA2 0.371 4.330 3.960 -0.001 0.000 0.269 68 G HA3 0.371 4.330 3.960 -0.001 0.000 0.269 68 G C -3.564 171.369 174.900 0.056 0.000 1.291 68 G CA -0.720 44.423 45.100 0.071 0.000 0.903 68 G HN 0.610 nan 8.290 nan 0.000 0.483 69 P HA 0.421 nan 4.420 nan 0.000 0.274 69 P C 1.046 178.363 177.300 0.029 0.000 1.246 69 P CA 0.729 63.850 63.100 0.036 0.000 0.795 69 P CB 1.210 32.928 31.700 0.031 0.000 1.006 70 A N 2.190 125.024 122.820 0.023 0.000 2.032 70 A HA -0.148 4.171 4.320 -0.001 0.000 0.221 70 A C 2.281 179.872 177.584 0.011 0.000 1.165 70 A CA 2.288 54.335 52.037 0.017 0.000 0.645 70 A CB -1.783 17.225 19.000 0.014 0.000 0.807 70 A HN 0.674 nan 8.150 nan 0.000 0.453 71 G N -0.891 107.916 108.800 0.011 0.000 2.464 71 G HA2 0.307 4.266 3.960 -0.001 0.000 0.214 71 G HA3 0.307 4.266 3.960 -0.001 0.000 0.214 71 G C 0.558 175.458 174.900 0.000 0.000 1.218 71 G CA 1.148 46.251 45.100 0.005 0.000 0.794 71 G HN 1.318 nan 8.290 nan 0.000 0.542 72 A N -0.640 122.183 122.820 0.005 0.000 2.427 72 A HA 0.703 5.022 4.320 -0.001 0.000 0.298 72 A C -0.857 176.736 177.584 0.015 0.000 1.036 72 A CA -0.682 51.354 52.037 -0.002 0.000 0.701 72 A CB 1.339 20.336 19.000 -0.005 0.000 1.250 72 A HN 0.181 nan 8.150 nan 0.000 0.412 73 K N 2.426 122.833 120.400 0.011 0.000 2.404 73 K HA 0.308 4.627 4.320 -0.001 0.000 0.257 73 K C -0.354 176.298 176.600 0.086 0.000 1.026 73 K CA -0.651 55.675 56.287 0.065 0.000 0.951 73 K CB 1.066 33.626 32.500 0.100 0.000 1.203 73 K HN 0.598 nan 8.250 nan 0.000 0.446 74 N N 1.206 119.976 118.700 0.116 0.000 2.368 74 N HA 0.008 4.747 4.740 -0.001 0.000 0.178 74 N C -0.197 175.452 175.510 0.232 0.000 1.076 74 N CA -0.026 53.115 53.050 0.150 0.000 0.889 74 N CB 0.268 38.807 38.487 0.087 0.000 1.040 74 N HN 0.339 nan 8.380 nan 0.000 0.463 75 L N 2.633 123.961 121.223 0.176 0.000 2.369 75 L HA 0.181 4.520 4.340 -0.001 0.000 0.279 75 L C -0.250 176.660 176.870 0.067 0.000 1.108 75 L CA -0.213 54.689 54.840 0.104 0.000 0.852 75 L CB 0.243 42.322 42.059 0.033 0.000 1.169 75 L HN 0.018 nan 8.230 nan 0.000 0.452 76 Q N 2.686 122.477 119.800 -0.016 0.000 2.373 76 Q HA 0.544 4.883 4.340 -0.001 0.000 0.255 76 Q C -0.628 175.280 176.000 -0.153 0.000 0.980 76 Q CA 0.274 55.950 55.803 -0.211 0.000 0.882 76 Q CB 0.986 29.617 28.738 -0.177 0.000 1.249 76 Q HN 0.733 nan 8.270 nan 0.000 0.438 77 S N 0.323 115.875 115.700 -0.248 0.000 2.572 77 S HA 0.616 5.086 4.470 -0.001 0.000 0.274 77 S C -1.434 172.996 174.600 -0.283 0.000 1.150 77 S CA -0.801 57.227 58.200 -0.286 0.000 0.944 77 S CB 1.510 64.626 63.200 -0.140 0.000 1.071 77 S HN 0.288 nan 8.310 nan 0.000 0.479 78 V N 2.899 122.642 119.914 -0.285 0.000 2.525 78 V HA 0.407 4.526 4.120 -0.001 0.000 0.299 78 V C -0.423 175.614 176.094 -0.095 0.000 1.034 78 V CA -0.739 61.460 62.300 -0.169 0.000 0.863 78 V CB 1.968 33.739 31.823 -0.086 0.000 0.999 78 V HN 0.734 nan 8.190 nan 0.000 0.423 79 V N 6.783 126.639 119.914 -0.097 0.000 2.427 79 V HA 0.307 4.426 4.120 -0.001 0.000 0.268 79 V C 0.021 176.187 176.094 0.120 0.000 1.046 79 V CA -0.043 62.244 62.300 -0.022 0.000 0.970 79 V CB 0.865 32.553 31.823 -0.225 0.000 1.001 79 V HN 0.586 nan 8.190 nan 0.000 0.476 80 L N 5.590 126.975 121.223 0.270 0.000 2.287 80 L HA 0.457 4.796 4.340 -0.001 0.000 0.287 80 L C 0.764 177.871 176.870 0.395 0.000 1.022 80 L CA -0.208 54.832 54.840 0.332 0.000 0.814 80 L CB 1.931 44.161 42.059 0.284 0.000 1.217 80 L HN 0.800 nan 8.230 nan 0.000 0.420 81 S N 1.954 117.848 115.700 0.324 0.000 2.617 81 S HA 0.101 4.571 4.470 -0.001 0.000 0.259 81 S C 1.129 175.949 174.600 0.365 0.000 1.301 81 S CA -0.428 57.961 58.200 0.314 0.000 0.984 81 S CB 0.793 64.119 63.200 0.211 0.000 0.954 81 S HN 0.775 nan 8.310 nan 0.000 0.572 82 K N 0.069 120.671 120.400 0.337 0.000 2.113 82 K HA -0.211 4.109 4.320 -0.001 0.000 0.208 82 K C 2.101 178.860 176.600 0.265 0.000 1.047 82 K CA 1.663 58.159 56.287 0.348 0.000 0.928 82 K CB -0.439 32.210 32.500 0.248 0.000 0.716 82 K HN 0.652 nan 8.250 nan 0.000 0.446 83 M N 1.660 121.374 119.600 0.189 0.000 2.098 83 M HA -0.126 4.353 4.480 -0.001 0.000 0.262 83 M C 1.516 177.870 176.300 0.090 0.000 1.072 83 M CA 1.813 57.185 55.300 0.120 0.000 1.133 83 M CB -0.208 32.445 32.600 0.089 0.000 1.344 83 M HN 0.253 nan 8.290 nan 0.000 0.414 84 N N -0.376 118.385 118.700 0.101 0.000 2.192 84 N HA -0.231 4.508 4.740 -0.001 0.000 0.188 84 N C 1.563 177.091 175.510 0.030 0.000 1.013 84 N CA 1.601 54.660 53.050 0.015 0.000 0.863 84 N CB -0.336 38.180 38.487 0.048 0.000 0.990 84 N HN 0.331 nan 8.380 nan 0.000 0.430 85 F N 2.047 121.962 119.950 -0.059 0.000 2.113 85 F HA -0.082 4.444 4.527 -0.001 0.000 0.297 85 F C 2.154 177.841 175.800 -0.187 0.000 1.103 85 F CA 1.337 59.228 58.000 -0.182 0.000 1.248 85 F CB -0.160 38.524 39.000 -0.527 0.000 0.999 85 F HN -0.009 nan 8.300 nan 0.000 0.475 86 E N -0.643 119.476 120.200 -0.134 0.000 2.058 86 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 86 E C 2.329 178.779 176.600 -0.250 0.000 0.997 86 E CA 1.515 57.774 56.400 -0.235 0.000 0.801 86 E CB -0.454 29.220 29.700 -0.043 0.000 0.746 86 E HN 0.334 nan 8.360 nan 0.000 0.450 87 S N -0.514 115.101 115.700 -0.143 0.000 2.453 87 S HA -0.086 4.383 4.470 -0.001 0.000 0.231 87 S C 1.474 176.016 174.600 -0.097 0.000 1.005 87 S CA 0.302 58.432 58.200 -0.117 0.000 0.949 87 S CB -0.121 63.028 63.200 -0.085 0.000 0.774 87 S HN 0.231 nan 8.310 nan 0.000 0.510 88 F N 1.714 121.464 119.950 -0.333 0.000 2.187 88 F HA 0.129 4.655 4.527 -0.001 0.000 0.295 88 F C 2.040 177.602 175.800 -0.396 0.000 1.091 88 F CA 0.694 58.489 58.000 -0.342 0.000 1.308 88 F CB -0.743 38.060 39.000 -0.329 0.000 1.030 88 F HN 0.019 nan 8.300 nan 0.000 0.487 89 V N 0.574 120.135 119.914 -0.588 0.000 2.358 89 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 89 V C 2.340 178.146 176.094 -0.481 0.000 1.047 89 V CA 2.035 63.896 62.300 -0.731 0.000 1.035 89 V CB -0.674 30.485 31.823 -1.107 0.000 0.658 89 V HN 0.207 nan 8.190 nan 0.000 0.452 90 K N -0.228 119.953 120.400 -0.365 0.000 2.211 90 K HA -0.247 4.073 4.320 -0.001 0.000 0.204 90 K C 1.852 178.345 176.600 -0.180 0.000 1.047 90 K CA 1.893 58.044 56.287 -0.228 0.000 0.935 90 K CB -0.192 32.209 32.500 -0.166 0.000 0.728 90 K HN 0.522 nan 8.250 nan 0.000 0.452 91 D N 0.345 120.627 120.400 -0.196 0.000 2.149 91 D HA -0.021 4.619 4.640 -0.001 0.000 0.206 91 D C 1.714 177.916 176.300 -0.164 0.000 0.967 91 D CA 0.611 54.526 54.000 -0.140 0.000 0.848 91 D CB 0.175 40.923 40.800 -0.088 0.000 0.998 91 D HN 0.001 nan 8.370 nan 0.000 0.474 92 L N 0.021 121.060 121.223 -0.307 0.000 2.083 92 L HA -0.099 4.240 4.340 -0.001 0.000 0.209 92 L C 2.299 179.110 176.870 -0.100 0.000 1.083 92 L CA 0.715 55.396 54.840 -0.264 0.000 0.752 92 L CB -0.256 41.480 42.059 -0.540 0.000 0.899 92 L HN 0.184 nan 8.230 nan 0.000 0.433 93 L N -1.128 120.007 121.223 -0.146 0.000 2.145 93 L HA -0.060 4.280 4.340 -0.001 0.000 0.201 93 L C 2.100 178.937 176.870 -0.056 0.000 1.075 93 L CA 0.671 55.463 54.840 -0.081 0.000 0.773 93 L CB -0.207 41.794 42.059 -0.096 0.000 0.936 93 L HN 0.184 nan 8.230 nan 0.000 0.451 94 L N -1.188 119.992 121.223 -0.072 0.000 2.558 94 L HA 0.051 4.390 4.340 -0.001 0.000 0.225 94 L C 1.547 178.392 176.870 -0.042 0.000 1.128 94 L CA -0.036 54.772 54.840 -0.053 0.000 0.868 94 L CB 0.317 42.341 42.059 -0.058 0.000 1.006 94 L HN 0.071 nan 8.230 nan 0.000 0.454 95 V N -1.449 118.444 119.914 -0.036 0.000 3.161 95 V HA 0.066 4.186 4.120 -0.001 0.000 0.221 95 V C 1.810 177.908 176.094 0.007 0.000 1.296 95 V CA 0.129 62.419 62.300 -0.016 0.000 1.306 95 V CB 0.140 31.953 31.823 -0.016 0.000 1.171 95 V HN 0.190 nan 8.190 nan 0.000 0.513 96 R N 0.566 121.093 120.500 0.045 0.000 2.320 96 R HA 0.157 4.496 4.340 -0.001 0.000 0.211 96 R C -0.178 176.158 176.300 0.061 0.000 0.931 96 R CA -0.029 56.141 56.100 0.117 0.000 1.071 96 R CB 0.132 30.589 30.300 0.263 0.000 1.025 96 R HN 0.435 nan 8.270 nan 0.000 0.495 97 Q N -0.540 119.260 119.800 0.000 0.000 2.459 97 Q HA -0.227 4.112 4.340 -0.001 0.000 0.322 97 Q C -1.379 174.505 176.000 -0.195 0.000 1.427 97 Q CA 1.252 57.001 55.803 -0.091 0.000 0.861 97 Q CB -1.926 26.733 28.738 -0.132 0.000 1.137 97 Q HN 0.378 nan 8.270 nan 0.000 0.394 98 Y N -0.251 120.004 120.300 -0.075 0.000 2.598 98 Y HA 0.563 5.113 4.550 -0.001 0.000 0.340 98 Y C 0.958 176.814 175.900 -0.073 0.000 1.038 98 Y CA -1.112 56.942 58.100 -0.076 0.000 1.100 98 Y CB 1.351 39.737 38.460 -0.124 0.000 1.281 98 Y HN 0.183 nan 8.280 nan 0.000 0.488 99 R N 0.489 121.071 120.500 0.136 0.000 2.514 99 R HA 0.835 5.175 4.340 -0.001 0.000 0.301 99 R C -2.033 174.298 176.300 0.051 0.000 0.962 99 R CA -0.848 55.299 56.100 0.078 0.000 0.882 99 R CB 1.361 31.713 30.300 0.087 0.000 1.143 99 R HN 0.366 nan 8.270 nan 0.000 0.452 100 V N 2.190 122.114 119.914 0.017 0.000 2.483 100 V HA 0.341 4.460 4.120 -0.001 0.000 0.295 100 V C -0.115 176.018 176.094 0.065 0.000 1.035 100 V CA -0.725 61.570 62.300 -0.008 0.000 0.896 100 V CB 1.508 33.251 31.823 -0.132 0.000 0.986 100 V HN 0.809 nan 8.190 nan 0.000 0.447 101 E N 2.723 122.952 120.200 0.048 0.000 2.199 101 E HA 0.621 4.970 4.350 -0.001 0.000 0.265 101 E C -1.531 175.033 176.600 -0.060 0.000 0.882 101 E CA -0.585 55.792 56.400 -0.038 0.000 0.759 101 E CB 2.608 32.258 29.700 -0.082 0.000 1.148 101 E HN 0.455 nan 8.360 nan 0.000 0.412 102 V N 3.806 123.672 119.914 -0.079 0.000 2.448 102 V HA 0.342 4.461 4.120 -0.001 0.000 0.295 102 V C -1.159 174.810 176.094 -0.208 0.000 1.025 102 V CA -0.781 61.547 62.300 0.048 0.000 0.859 102 V CB 0.663 32.739 31.823 0.422 0.000 0.988 102 V HN 0.583 nan 8.190 nan 0.000 0.431 103 Y N 3.039 123.340 120.300 0.002 0.000 2.352 103 Y HA 0.568 5.118 4.550 -0.001 0.000 0.339 103 Y C 0.393 176.440 175.900 0.244 0.000 0.992 103 Y CA -0.700 57.441 58.100 0.070 0.000 1.100 103 Y CB 1.769 40.300 38.460 0.118 0.000 1.192 103 Y HN 0.448 nan 8.280 nan 0.000 0.458 104 K N 1.792 122.199 120.400 0.012 0.000 2.156 104 K HA 0.297 4.616 4.320 -0.001 0.000 0.254 104 K C -0.851 175.592 176.600 -0.261 0.000 0.950 104 K CA -1.157 55.055 56.287 -0.126 0.000 0.849 104 K CB 1.423 33.685 32.500 -0.397 0.000 1.100 104 K HN 0.517 nan 8.250 nan 0.000 0.434 105 N N 1.716 120.114 118.700 -0.502 0.000 2.455 105 N HA 0.092 4.831 4.740 -0.001 0.000 0.280 105 N C -0.870 174.437 175.510 -0.338 0.000 1.055 105 N CA -0.508 51.989 53.050 -0.922 0.000 0.961 105 N CB 0.850 38.444 38.487 -1.488 0.000 1.121 105 N HN 0.297 nan 8.380 nan 0.000 0.476 106 R N 2.332 122.724 120.500 -0.180 0.000 2.404 106 R HA 0.344 4.683 4.340 -0.001 0.000 0.315 106 R C -0.530 175.700 176.300 -0.117 0.000 1.032 106 R CA -0.190 55.895 56.100 -0.026 0.000 0.992 106 R CB -0.263 30.029 30.300 -0.013 0.000 0.959 106 R HN 0.601 nan 8.270 nan 0.000 0.428 107 A N 3.277 126.049 122.820 -0.080 0.000 2.409 107 A HA 0.575 4.895 4.320 -0.001 0.000 0.262 107 A C 0.263 177.805 177.584 -0.069 0.000 1.113 107 A CA 0.476 52.461 52.037 -0.087 0.000 0.790 107 A CB 0.570 19.529 19.000 -0.067 0.000 1.046 107 A HN 0.820 nan 8.150 nan 0.000 0.496 113 K N 2.487 122.871 120.400 -0.028 0.000 2.877 113 K HA 0.353 4.673 4.320 -0.001 0.000 0.176 113 K C -1.131 175.444 176.600 -0.042 0.000 1.075 113 K CA -0.357 55.907 56.287 -0.038 0.000 0.939 113 K CB 1.153 33.642 32.500 -0.018 0.000 1.237 113 K HN 0.272 nan 8.250 nan 0.000 0.607 114 E N 1.059 121.219 120.200 -0.066 0.000 2.383 114 E HA 0.097 4.446 4.350 -0.001 0.000 0.264 114 E C -0.222 176.293 176.600 -0.142 0.000 1.050 114 E CA -0.085 56.270 56.400 -0.074 0.000 0.896 114 E CB 0.667 30.323 29.700 -0.074 0.000 0.982 114 E HN 0.189 nan 8.360 nan 0.000 0.424 115 N N 2.279 120.905 118.700 -0.123 0.000 2.800 115 N HA 0.097 4.837 4.740 -0.001 0.000 0.240 115 N C -1.266 174.057 175.510 -0.312 0.000 1.096 115 N CA -0.296 52.612 53.050 -0.236 0.000 0.877 115 N CB 0.548 39.064 38.487 0.049 0.000 1.138 115 N HN 0.260 nan 8.380 nan 0.000 0.509 116 D N 1.404 121.570 120.400 -0.390 0.000 2.458 116 D HA 0.184 4.823 4.640 -0.001 0.000 0.258 116 D C -0.796 175.424 176.300 -0.133 0.000 1.134 116 D CA -0.424 53.485 54.000 -0.152 0.000 0.915 116 D CB 0.208 40.977 40.800 -0.052 0.000 1.028 116 D HN 0.181 nan 8.370 nan 0.000 0.508 117 W N 3.554 124.856 121.300 0.003 0.000 2.316 117 W HA 0.417 5.076 4.660 -0.001 0.000 0.321 117 W C -0.052 176.727 176.519 0.434 0.000 1.203 117 W CA -0.740 56.722 57.345 0.196 0.000 1.214 117 W CB 0.599 30.170 29.460 0.186 0.000 1.169 117 W HN 0.215 nan 8.180 nan 0.000 0.561 118 Y N 0.508 121.147 120.300 0.566 0.000 2.562 118 Y HA 0.608 5.157 4.550 -0.001 0.000 0.345 118 Y C -1.063 175.086 175.900 0.416 0.000 1.045 118 Y CA -2.081 56.278 58.100 0.432 0.000 1.028 118 Y CB 0.608 39.186 38.460 0.198 0.000 1.297 118 Y HN 0.231 nan 8.280 nan 0.000 0.463 119 L N 3.724 125.144 121.223 0.327 0.000 2.448 119 L HA 0.490 4.829 4.340 -0.001 0.000 0.278 119 L C 0.936 177.754 176.870 -0.087 0.000 1.201 119 L CA 0.656 55.405 54.840 -0.152 0.000 1.036 119 L CB -0.297 41.667 42.059 -0.158 0.000 1.325 119 L HN 0.980 nan 8.230 nan 0.000 0.441 120 A N 4.393 127.068 122.820 -0.242 0.000 1.897 120 A HA -0.009 4.310 4.320 -0.001 0.000 0.215 120 A C 0.112 177.356 177.584 -0.566 0.000 1.181 120 A CA 1.116 52.938 52.037 -0.358 0.000 0.620 120 A CB -0.257 18.410 19.000 -0.556 0.000 0.821 120 A HN 0.568 nan 8.150 nan 0.000 0.443 121 Y N -1.369 118.889 120.300 -0.069 0.000 2.462 121 Y HA 0.616 5.166 4.550 -0.001 0.000 0.346 121 Y C -0.067 175.795 175.900 -0.063 0.000 0.976 121 Y CA -1.049 57.006 58.100 -0.075 0.000 1.044 121 Y CB 1.655 40.094 38.460 -0.035 0.000 1.230 121 Y HN 0.101 nan 8.280 nan 0.000 0.455 122 K N 1.924 122.382 120.400 0.096 0.000 2.471 122 K HA 0.909 5.228 4.320 -0.001 0.000 0.252 122 K C -1.605 175.058 176.600 0.105 0.000 0.938 122 K CA -0.600 55.720 56.287 0.056 0.000 0.796 122 K CB 1.395 33.875 32.500 -0.034 0.000 1.161 122 K HN 0.822 nan 8.250 nan 0.000 0.425 123 A N 2.200 125.121 122.820 0.168 0.000 2.374 123 A HA 0.795 5.114 4.320 -0.001 0.000 0.317 123 A C -1.196 176.457 177.584 0.115 0.000 1.094 123 A CA -0.643 51.515 52.037 0.201 0.000 0.765 123 A CB 1.845 21.041 19.000 0.327 0.000 1.268 123 A HN 0.595 nan 8.150 nan 0.000 0.438 124 S N 1.394 117.165 115.700 0.117 0.000 2.541 124 S HA 0.530 4.999 4.470 -0.001 0.000 0.271 124 S C -2.375 172.288 174.600 0.105 0.000 1.133 124 S CA -0.779 57.499 58.200 0.129 0.000 0.876 124 S CB 2.061 65.397 63.200 0.226 0.000 1.105 124 S HN 0.454 nan 8.310 nan 0.000 0.470 125 P HA -0.067 nan 4.420 nan 0.000 0.216 125 P C 1.298 178.622 177.300 0.040 0.000 1.150 125 P CA 1.266 64.384 63.100 0.031 0.000 0.843 125 P CB 0.042 31.742 31.700 0.000 0.000 0.787 126 G N -2.426 106.414 108.800 0.067 0.000 2.744 126 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.211 126 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.211 126 G C 0.574 175.554 174.900 0.133 0.000 1.146 126 G CA 0.125 45.266 45.100 0.068 0.000 0.787 126 G HN 0.216 nan 8.290 nan 0.000 0.534 127 N N 0.650 119.462 118.700 0.187 0.000 2.800 127 N HA 0.320 5.060 4.740 -0.001 0.000 0.240 127 N C 0.238 175.819 175.510 0.119 0.000 1.096 127 N CA -0.381 52.778 53.050 0.181 0.000 0.877 127 N CB 0.599 39.231 38.487 0.242 0.000 1.138 127 N HN -0.018 nan 8.380 nan 0.000 0.509 128 L N 1.118 122.403 121.223 0.103 0.000 2.783 128 L HA 0.249 4.588 4.340 -0.001 0.000 0.236 128 L C 1.082 178.001 176.870 0.081 0.000 1.225 128 L CA -0.081 54.821 54.840 0.104 0.000 1.026 128 L CB -0.018 42.093 42.059 0.087 0.000 1.314 128 L HN 0.302 nan 8.230 nan 0.000 0.489 129 S N -0.051 115.684 115.700 0.059 0.000 2.603 129 S HA -0.016 4.453 4.470 -0.001 0.000 0.229 129 S C 1.630 176.217 174.600 -0.022 0.000 0.972 129 S CA 0.635 58.858 58.200 0.037 0.000 0.935 129 S CB -0.035 63.197 63.200 0.054 0.000 0.769 129 S HN 0.471 nan 8.310 nan 0.000 0.536 130 Q N -0.881 118.864 119.800 -0.090 0.000 2.322 130 Q HA 0.276 4.615 4.340 -0.001 0.000 0.250 130 Q C -0.259 175.411 176.000 -0.550 0.000 0.853 130 Q CA 0.482 56.098 55.803 -0.312 0.000 0.951 130 Q CB 0.383 28.873 28.738 -0.413 0.000 1.114 130 Q HN 0.558 nan 8.270 nan 0.000 0.523 131 F N 2.042 121.978 119.950 -0.022 0.000 2.879 131 F HA 0.173 4.699 4.527 -0.001 0.000 0.354 131 F C 1.434 177.213 175.800 -0.035 0.000 1.291 131 F CA -0.375 57.594 58.000 -0.051 0.000 1.238 131 F CB 0.572 39.524 39.000 -0.079 0.000 1.005 131 F HN -0.029 nan 8.300 nan 0.000 0.508 132 E N 0.165 120.414 120.200 0.082 0.000 2.285 132 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 132 E C 0.834 177.462 176.600 0.046 0.000 0.997 132 E CA 1.272 57.705 56.400 0.056 0.000 0.845 132 E CB -0.275 29.443 29.700 0.030 0.000 0.782 132 E HN 0.501 nan 8.360 nan 0.000 0.491 133 D N 0.708 121.139 120.400 0.052 0.000 2.340 133 D HA 0.010 4.649 4.640 -0.001 0.000 0.220 133 D C 1.733 178.070 176.300 0.060 0.000 1.039 133 D CA 0.028 54.054 54.000 0.044 0.000 0.866 133 D CB -0.175 40.645 40.800 0.034 0.000 0.913 133 D HN 0.334 nan 8.370 nan 0.000 0.523 134 I N -0.437 120.184 120.570 0.086 0.000 4.187 134 I HA 0.094 4.263 4.170 -0.001 0.000 0.326 134 I C 1.490 177.615 176.117 0.014 0.000 1.302 134 I CA 0.091 61.428 61.300 0.061 0.000 1.196 134 I CB 0.579 38.632 38.000 0.089 0.000 1.095 134 I HN -0.132 nan 8.210 nan 0.000 0.411 135 L N 0.649 121.887 121.223 0.025 0.000 2.700 135 L HA 0.218 4.557 4.340 -0.001 0.000 0.234 135 L C 1.378 178.249 176.870 0.003 0.000 1.156 135 L CA -0.210 54.630 54.840 0.001 0.000 0.946 135 L CB -0.288 41.775 42.059 0.005 0.000 1.216 135 L HN 0.223 nan 8.230 nan 0.000 0.493 136 F N 0.358 120.314 119.950 0.009 0.000 2.949 136 F HA 0.581 5.107 4.527 -0.001 0.000 0.291 136 F C 1.291 177.092 175.800 0.002 0.000 1.214 136 F CA 0.057 58.060 58.000 0.005 0.000 1.381 136 F CB -0.616 38.388 39.000 0.008 0.000 1.066 136 F HN 0.155 nan 8.300 nan 0.000 0.520 137 G N -1.054 107.744 108.800 -0.003 0.000 2.720 137 G HA2 0.370 4.330 3.960 -0.001 0.000 0.204 137 G HA3 0.370 4.330 3.960 -0.001 0.000 0.204 137 G C 0.445 175.340 174.900 -0.008 0.000 1.113 137 G CA 0.972 46.069 45.100 -0.004 0.000 0.805 137 G HN 1.337 nan 8.290 nan 0.000 0.536 138 N N -0.773 117.919 118.700 -0.012 0.000 2.875 138 N HA 0.545 5.284 4.740 -0.001 0.000 0.253 138 N C -0.456 175.044 175.510 -0.017 0.000 1.296 138 N CA 0.408 53.449 53.050 -0.015 0.000 0.816 138 N CB -0.432 38.045 38.487 -0.017 0.000 1.504 138 N HN 0.683 nan 8.380 nan 0.000 0.582 146 G N 4.888 113.714 108.800 0.043 0.000 2.803 146 G HA2 0.419 4.379 3.960 -0.001 0.000 0.212 146 G HA3 0.419 4.379 3.960 -0.001 0.000 0.212 146 G C -0.791 174.102 174.900 -0.011 0.000 1.407 146 G CA 0.348 45.460 45.100 0.020 0.000 0.624 146 G HN 0.581 nan 8.290 nan 0.000 1.024 147 V N 1.881 121.790 119.914 -0.008 0.000 2.628 147 V HA 0.713 4.832 4.120 -0.001 0.000 0.306 147 V C 0.135 176.187 176.094 -0.069 0.000 1.045 147 V CA -0.758 61.481 62.300 -0.101 0.000 0.905 147 V CB 1.538 33.227 31.823 -0.223 0.000 0.997 147 V HN 0.607 nan 8.190 nan 0.000 0.436 148 V N 0.717 120.568 119.914 -0.104 0.000 3.113 148 V HA 1.076 5.195 4.120 -0.001 0.000 0.316 148 V C 0.112 176.148 176.094 -0.097 0.000 1.125 148 V CA -0.612 61.663 62.300 -0.041 0.000 1.026 148 V CB 1.946 33.761 31.823 -0.014 0.000 1.080 148 V HN 1.031 nan 8.190 nan 0.000 0.444 149 G N 0.295 109.064 108.800 -0.052 0.000 2.609 149 G HA2 0.628 4.588 3.960 -0.001 0.000 0.308 149 G HA3 0.628 4.588 3.960 -0.001 0.000 0.308 149 G C -1.437 173.427 174.900 -0.061 0.000 1.369 149 G CA -0.622 44.430 45.100 -0.079 0.000 0.958 149 G HN 0.957 nan 8.290 nan 0.000 0.499 150 V N 2.343 122.205 119.914 -0.086 0.000 2.444 150 V HA 0.629 4.749 4.120 -0.001 0.000 0.294 150 V C -0.034 175.992 176.094 -0.113 0.000 1.022 150 V CA -0.741 61.501 62.300 -0.097 0.000 0.850 150 V CB 1.570 33.325 31.823 -0.113 0.000 0.992 150 V HN 0.775 nan 8.190 nan 0.000 0.426 151 K N 5.738 126.068 120.400 -0.117 0.000 2.498 151 K HA 0.812 5.131 4.320 -0.001 0.000 0.254 151 K C -1.052 175.476 176.600 -0.120 0.000 0.933 151 K CA -0.743 55.478 56.287 -0.109 0.000 0.806 151 K CB 2.255 34.702 32.500 -0.088 0.000 1.301 151 K HN 0.815 nan 8.250 nan 0.000 0.432 152 M N 0.427 119.968 119.600 -0.099 0.000 2.591 152 M HA 0.650 5.129 4.480 -0.001 0.000 0.306 152 M C -1.143 175.129 176.300 -0.047 0.000 1.190 152 M CA -0.536 54.719 55.300 -0.076 0.000 0.889 152 M CB 2.215 34.788 32.600 -0.046 0.000 1.728 152 M HN 0.556 nan 8.290 nan 0.000 0.458 153 S N 0.813 116.491 115.700 -0.037 0.000 2.543 153 S HA 0.762 5.231 4.470 -0.001 0.000 0.274 153 S C -0.870 173.720 174.600 -0.017 0.000 1.149 153 S CA -0.597 57.588 58.200 -0.025 0.000 0.866 153 S CB 1.522 64.703 63.200 -0.033 0.000 1.111 153 S HN 1.193 nan 8.310 nan 0.000 0.457 154 A N 1.816 124.631 122.820 -0.009 0.000 3.056 154 A HA 0.553 4.872 4.320 -0.001 0.000 0.274 154 A C 0.075 177.653 177.584 -0.009 0.000 1.661 154 A CA -0.560 51.474 52.037 -0.005 0.000 1.363 154 A CB -0.954 18.046 19.000 0.000 0.000 1.139 154 A HN 1.032 nan 8.150 nan 0.000 0.598 155 V N 2.030 121.936 119.914 -0.014 0.000 2.341 155 V HA 0.503 4.623 4.120 -0.001 0.000 0.248 155 V C 0.547 176.636 176.094 -0.008 0.000 1.107 155 V CA 0.994 63.286 62.300 -0.013 0.000 1.069 155 V CB -0.873 30.939 31.823 -0.019 0.000 1.177 155 V HN 0.867 nan 8.190 nan 0.000 0.492 159 R N 0.856 121.362 120.500 0.010 0.000 2.325 159 R HA 0.297 4.637 4.340 -0.001 0.000 0.323 159 R C -0.339 175.964 176.300 0.004 0.000 1.177 159 R CA -0.544 55.568 56.100 0.021 0.000 1.018 159 R CB 0.538 30.875 30.300 0.062 0.000 1.070 159 R HN 0.247 nan 8.270 nan 0.000 0.495 160 Q N 2.942 122.723 119.800 -0.031 0.000 2.296 160 Q HA 0.233 4.572 4.340 -0.001 0.000 0.257 160 Q C -1.120 174.788 176.000 -0.152 0.000 0.942 160 Q CA -0.520 55.231 55.803 -0.087 0.000 0.939 160 Q CB 1.665 30.361 28.738 -0.070 0.000 1.198 160 Q HN 0.571 nan 8.270 nan 0.000 0.429 161 V N 3.726 123.462 119.914 -0.297 0.000 2.398 161 V HA 0.764 4.884 4.120 -0.001 0.000 0.286 161 V C 0.381 176.138 176.094 -0.562 0.000 1.026 161 V CA -0.483 61.587 62.300 -0.383 0.000 0.868 161 V CB 1.567 33.173 31.823 -0.361 0.000 0.982 161 V HN 0.846 nan 8.190 nan 0.000 0.443 162 G N 3.378 111.985 108.800 -0.322 0.000 2.416 162 G HA2 0.613 4.572 3.960 -0.001 0.000 0.324 162 G HA3 0.613 4.572 3.960 -0.001 0.000 0.324 162 G C -1.158 173.658 174.900 -0.140 0.000 1.194 162 G CA -0.426 44.533 45.100 -0.234 0.000 0.922 162 G HN 0.539 nan 8.290 nan 0.000 0.467 163 V N 1.641 121.529 119.914 -0.043 0.000 2.444 163 V HA 0.756 4.875 4.120 -0.001 0.000 0.294 163 V C 0.592 176.743 176.094 0.096 0.000 1.022 163 V CA -0.554 61.779 62.300 0.054 0.000 0.850 163 V CB 1.652 33.572 31.823 0.161 0.000 0.992 163 V HN 0.943 nan 8.190 nan 0.000 0.426 164 G N 4.097 112.925 108.800 0.047 0.000 2.416 164 G HA2 0.694 4.653 3.960 -0.001 0.000 0.324 164 G HA3 0.694 4.653 3.960 -0.001 0.000 0.324 164 G C -1.224 173.716 174.900 0.065 0.000 1.194 164 G CA -0.418 44.684 45.100 0.003 0.000 0.922 164 G HN 0.773 nan 8.290 nan 0.000 0.467 165 Y N -0.054 120.241 120.300 -0.010 0.000 2.634 165 Y HA 0.804 5.354 4.550 -0.001 0.000 0.340 165 Y C -1.038 174.859 175.900 -0.004 0.000 1.058 165 Y CA -1.796 56.297 58.100 -0.011 0.000 1.081 165 Y CB 1.855 40.320 38.460 0.008 0.000 1.295 165 Y HN 0.363 nan 8.280 nan 0.000 0.487 166 V N 1.835 121.863 119.914 0.190 0.000 2.482 166 V HA 0.257 4.377 4.120 -0.001 0.000 0.295 166 V C -1.444 174.798 176.094 0.246 0.000 1.026 166 V CA -0.566 61.803 62.300 0.115 0.000 0.856 166 V CB 1.423 33.260 31.823 0.024 0.000 1.001 166 V HN 0.823 nan 8.190 nan 0.000 0.424 167 D N 2.848 123.423 120.400 0.293 0.000 2.485 167 D HA 0.240 4.879 4.640 -0.001 0.000 0.229 167 D C 1.289 177.751 176.300 0.270 0.000 1.101 167 D CA 0.081 54.244 54.000 0.272 0.000 0.906 167 D CB 1.440 42.420 40.800 0.300 0.000 1.019 167 D HN 0.538 nan 8.370 nan 0.000 0.516 168 S N 3.055 118.907 115.700 0.253 0.000 2.481 168 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 168 S C 1.828 176.515 174.600 0.144 0.000 0.996 168 S CA 0.097 58.461 58.200 0.273 0.000 0.942 168 S CB -0.054 63.312 63.200 0.276 0.000 0.768 168 S HN 0.463 nan 8.310 nan 0.000 0.520 169 I N 1.460 122.096 120.570 0.110 0.000 2.286 169 I HA 0.005 4.175 4.170 -0.001 0.000 0.245 169 I C 2.171 178.314 176.117 0.042 0.000 1.104 169 I CA 1.120 62.456 61.300 0.060 0.000 1.397 169 I CB -1.122 36.903 38.000 0.041 0.000 1.072 169 I HN 0.377 nan 8.210 nan 0.000 0.417 170 Q N 0.703 120.544 119.800 0.069 0.000 2.282 170 Q HA 0.164 4.503 4.340 -0.001 0.000 0.206 170 Q C -0.138 175.891 176.000 0.047 0.000 0.878 170 Q CA -0.159 55.680 55.803 0.060 0.000 0.944 170 Q CB 0.450 29.244 28.738 0.094 0.000 1.100 170 Q HN 0.412 nan 8.270 nan 0.000 0.509 171 R N 1.059 121.575 120.500 0.026 0.000 3.152 171 R HA -0.152 4.188 4.340 -0.001 0.000 0.252 171 R C -0.788 175.619 176.300 0.178 0.000 0.930 171 R CA 0.668 56.698 56.100 -0.117 0.000 0.642 171 R CB -1.607 28.477 30.300 -0.359 0.000 1.205 171 R HN 0.104 nan 8.270 nan 0.000 0.452 172 K N 1.081 121.702 120.400 0.369 0.000 2.427 172 K HA 0.440 4.759 4.320 -0.001 0.000 0.252 172 K C -0.258 176.473 176.600 0.219 0.000 0.931 172 K CA -0.824 55.646 56.287 0.305 0.000 0.793 172 K CB 1.827 34.459 32.500 0.221 0.000 1.211 172 K HN 0.046 nan 8.250 nan 0.000 0.426 173 L N 2.784 124.044 121.223 0.061 0.000 2.360 173 L HA 0.336 4.675 4.340 -0.001 0.000 0.265 173 L C 0.627 177.319 176.870 -0.296 0.000 1.066 173 L CA -0.687 54.060 54.840 -0.155 0.000 0.929 173 L CB 0.970 42.907 42.059 -0.203 0.000 1.306 173 L HN 0.725 nan 8.230 nan 0.000 0.434 174 G N 2.993 111.394 108.800 -0.664 0.000 2.539 174 G HA2 0.605 4.564 3.960 -0.001 0.000 0.258 174 G HA3 0.605 4.564 3.960 -0.001 0.000 0.258 174 G C -0.710 173.754 174.900 -0.726 0.000 1.202 174 G CA -0.240 44.175 45.100 -1.141 0.000 0.851 174 G HN 0.418 nan 8.290 nan 0.000 0.556 175 L N -1.334 119.682 121.223 -0.345 0.000 2.582 175 L HA 0.795 5.135 4.340 -0.001 0.000 0.257 175 L C -0.796 176.130 176.870 0.094 0.000 0.974 175 L CA -1.265 53.527 54.840 -0.080 0.000 0.851 175 L CB 1.322 43.332 42.059 -0.081 0.000 1.424 175 L HN 0.698 nan 8.230 nan 0.000 0.412 176 C N 0.502 119.889 119.300 0.144 0.000 3.113 176 C HA 0.697 5.157 4.460 -0.001 0.000 0.376 176 C C -1.380 173.714 174.990 0.173 0.000 1.077 176 C CA 0.007 59.169 59.018 0.239 0.000 1.253 176 C CB 1.737 29.705 27.740 0.379 0.000 1.637 176 C HN 0.992 nan 8.230 nan 0.000 0.535 177 E N 3.123 123.433 120.200 0.183 0.000 2.222 177 E HA 0.811 5.160 4.350 -0.001 0.000 0.267 177 E C -1.380 175.333 176.600 0.189 0.000 0.884 177 E CA -0.342 56.069 56.400 0.017 0.000 0.764 177 E CB 2.071 31.769 29.700 -0.002 0.000 1.169 177 E HN 0.566 nan 8.360 nan 0.000 0.413 178 F N 0.112 120.061 119.950 -0.001 0.000 2.688 178 F HA 0.467 4.994 4.527 -0.001 0.000 0.308 178 F C -3.005 172.801 175.800 0.010 0.000 1.117 178 F CA -2.580 55.426 58.000 0.009 0.000 0.976 178 F CB 0.784 39.657 39.000 -0.212 0.000 1.291 178 F HN 0.110 nan 8.300 nan 0.000 0.439 179 P HA 0.246 nan 4.420 nan 0.000 0.281 179 P C -1.137 176.285 177.300 0.205 0.000 1.252 179 P CA 0.201 63.380 63.100 0.131 0.000 0.778 179 P CB 1.388 33.160 31.700 0.120 0.000 0.895 180 D N 2.242 122.731 120.400 0.149 0.000 2.217 180 D HA 0.275 4.915 4.640 -0.001 0.000 0.248 180 D C 0.473 176.798 176.300 0.040 0.000 1.008 180 D CA -0.199 53.913 54.000 0.186 0.000 0.914 180 D CB 0.933 41.930 40.800 0.328 0.000 1.182 180 D HN 0.213 nan 8.370 nan 0.000 0.451 181 N N 0.352 119.045 118.700 -0.012 0.000 2.322 181 N HA 0.051 4.790 4.740 -0.001 0.000 0.270 181 N C 0.649 175.955 175.510 -0.340 0.000 1.286 181 N CA -0.248 52.734 53.050 -0.114 0.000 0.948 181 N CB 0.324 38.773 38.487 -0.062 0.000 1.164 181 N HN 0.243 nan 8.380 nan 0.000 0.551 182 D N 0.157 120.384 120.400 -0.289 0.000 2.144 182 D HA -0.109 4.530 4.640 -0.001 0.000 0.199 182 D C 0.678 176.649 176.300 -0.548 0.000 0.984 182 D CA 1.452 55.231 54.000 -0.368 0.000 0.834 182 D CB -0.009 40.676 40.800 -0.191 0.000 0.955 182 D HN 0.499 nan 8.370 nan 0.000 0.465 183 Q N -0.561 119.018 119.800 -0.369 0.000 2.198 183 Q HA 0.190 4.530 4.340 -0.001 0.000 0.209 183 Q C -0.551 175.422 176.000 -0.044 0.000 0.848 183 Q CA -0.402 55.278 55.803 -0.204 0.000 0.974 183 Q CB 0.279 28.986 28.738 -0.052 0.000 1.115 183 Q HN 0.124 nan 8.270 nan 0.000 0.494 184 F N 0.085 120.052 119.950 0.028 0.000 2.695 184 F HA -0.274 4.252 4.527 -0.002 0.000 0.305 184 F C 1.288 177.112 175.800 0.041 0.000 1.044 184 F CA 0.671 58.698 58.000 0.045 0.000 1.049 184 F CB -2.226 36.798 39.000 0.039 0.000 1.267 184 F HN 0.100 nan 8.300 nan 0.000 0.828 185 S N 0.111 115.886 115.700 0.126 0.000 2.387 185 S HA -0.137 4.332 4.470 -0.001 0.000 0.226 185 S C 1.918 176.561 174.600 0.072 0.000 1.026 185 S CA 1.673 59.925 58.200 0.087 0.000 0.972 185 S CB 0.014 63.248 63.200 0.057 0.000 0.814 185 S HN 0.595 nan 8.310 nan 0.000 0.477 186 N N 1.440 120.183 118.700 0.071 0.000 2.396 186 N HA 0.103 4.843 4.740 -0.001 0.000 0.180 186 N C 1.608 176.964 175.510 -0.258 0.000 1.028 186 N CA 0.496 53.479 53.050 -0.112 0.000 0.893 186 N CB -0.467 37.897 38.487 -0.205 0.000 0.967 186 N HN 0.388 nan 8.380 nan 0.000 0.440 187 L N 1.212 122.450 121.223 0.026 0.000 2.017 187 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 187 L C 2.081 178.934 176.870 -0.028 0.000 1.073 187 L CA 1.213 56.078 54.840 0.042 0.000 0.745 187 L CB -0.289 41.853 42.059 0.140 0.000 0.894 187 L HN 0.197 nan 8.230 nan 0.000 0.432 188 E N 0.038 120.243 120.200 0.009 0.000 2.070 188 E HA -0.301 4.048 4.350 -0.001 0.000 0.197 188 E C 2.234 178.822 176.600 -0.020 0.000 1.004 188 E CA 1.344 57.746 56.400 0.003 0.000 0.805 188 E CB -0.271 29.446 29.700 0.029 0.000 0.744 188 E HN 0.536 nan 8.360 nan 0.000 0.451 189 A N 0.888 123.691 122.820 -0.028 0.000 1.917 189 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 189 A C 2.155 179.719 177.584 -0.032 0.000 1.182 189 A CA 1.487 53.520 52.037 -0.006 0.000 0.633 189 A CB -0.530 18.496 19.000 0.043 0.000 0.819 189 A HN 0.101 nan 8.150 nan 0.000 0.448 190 L N -0.737 120.412 121.223 -0.124 0.000 2.068 190 L HA -0.013 4.327 4.340 -0.001 0.000 0.204 190 L C 2.349 179.164 176.870 -0.091 0.000 1.076 190 L CA 1.101 55.873 54.840 -0.114 0.000 0.753 190 L CB -0.516 41.436 42.059 -0.179 0.000 0.910 190 L HN 0.336 nan 8.230 nan 0.000 0.439 191 L N -0.894 120.283 121.223 -0.077 0.000 2.349 191 L HA -0.206 4.133 4.340 -0.001 0.000 0.220 191 L C 2.158 178.980 176.870 -0.080 0.000 1.130 191 L CA 1.074 55.869 54.840 -0.076 0.000 0.791 191 L CB -0.403 41.622 42.059 -0.056 0.000 0.918 191 L HN 0.312 nan 8.230 nan 0.000 0.444 192 I N -1.455 119.080 120.570 -0.059 0.000 2.731 192 I HA -0.138 4.031 4.170 -0.001 0.000 0.260 192 I C 2.416 178.496 176.117 -0.061 0.000 1.138 192 I CA 0.498 61.771 61.300 -0.045 0.000 1.461 192 I CB -0.006 37.995 38.000 0.001 0.000 1.128 192 I HN 0.223 nan 8.210 nan 0.000 0.438 193 Q N 1.026 120.786 119.800 -0.068 0.000 2.016 193 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 193 Q C 2.316 178.221 176.000 -0.158 0.000 0.978 193 Q CA 1.768 57.507 55.803 -0.108 0.000 0.833 193 Q CB -0.078 28.610 28.738 -0.084 0.000 0.895 193 Q HN 0.620 nan 8.270 nan 0.000 0.427 194 I N -3.043 117.420 120.570 -0.178 0.000 3.059 194 I HA 0.262 4.431 4.170 -0.001 0.000 0.270 194 I C 0.884 176.877 176.117 -0.206 0.000 1.238 194 I CA 0.489 61.644 61.300 -0.243 0.000 1.478 194 I CB -0.570 37.179 38.000 -0.417 0.000 1.097 194 I HN 0.140 nan 8.210 nan 0.000 0.455 195 G N 4.367 113.060 108.800 -0.177 0.000 2.290 195 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.270 195 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.270 195 G C -2.112 172.687 174.900 -0.168 0.000 0.891 195 G CA 0.070 45.061 45.100 -0.182 0.000 1.321 195 G HN 0.467 nan 8.290 nan 0.000 0.425 196 P HA 0.372 nan 4.420 nan 0.000 0.279 196 P C 0.520 177.753 177.300 -0.112 0.000 1.276 196 P CA -0.644 62.386 63.100 -0.117 0.000 0.801 196 P CB 0.975 32.613 31.700 -0.104 0.000 1.127 197 K N -1.743 118.601 120.400 -0.095 0.000 2.450 197 K HA 0.321 4.640 4.320 -0.001 0.000 0.206 197 K C 0.360 176.909 176.600 -0.084 0.000 1.148 197 K CA -0.112 56.121 56.287 -0.089 0.000 1.014 197 K CB 1.104 33.556 32.500 -0.079 0.000 0.966 197 K HN 0.345 nan 8.250 nan 0.000 0.566 198 E N 0.838 120.982 120.200 -0.093 0.000 2.275 198 E HA 0.351 4.700 4.350 -0.001 0.000 0.270 198 E C -2.011 174.488 176.600 -0.168 0.000 0.882 198 E CA -0.908 55.421 56.400 -0.118 0.000 0.758 198 E CB 2.337 31.979 29.700 -0.098 0.000 1.195 198 E HN 0.261 nan 8.360 nan 0.000 0.419 199 C N 4.199 123.393 119.300 -0.177 0.000 2.712 199 C HA 0.761 5.220 4.460 -0.001 0.000 0.308 199 C C -0.941 173.919 174.990 -0.216 0.000 1.201 199 C CA -0.377 58.530 59.018 -0.186 0.000 1.554 199 C CB 0.700 28.362 27.740 -0.132 0.000 2.117 199 C HN 0.569 nan 8.230 nan 0.000 0.480 200 V N 4.480 124.257 119.914 -0.230 0.000 2.581 200 V HA 0.812 4.931 4.120 -0.001 0.000 0.303 200 V C -0.780 175.238 176.094 -0.127 0.000 1.041 200 V CA -0.478 61.703 62.300 -0.199 0.000 0.907 200 V CB 1.368 33.038 31.823 -0.256 0.000 0.994 200 V HN 0.871 nan 8.190 nan 0.000 0.442 201 L N 3.408 124.575 121.223 -0.093 0.000 2.350 201 L HA 0.557 4.896 4.340 -0.001 0.000 0.260 201 L C -1.949 174.888 176.870 -0.055 0.000 1.015 201 L CA -1.795 52.998 54.840 -0.079 0.000 0.821 201 L CB 2.884 44.895 42.059 -0.080 0.000 1.370 201 L HN 0.339 nan 8.230 nan 0.000 0.416 202 P HA -0.035 nan 4.420 nan 0.000 0.223 202 P C 0.429 177.712 177.300 -0.029 0.000 1.151 202 P CA 0.834 63.910 63.100 -0.039 0.000 0.787 202 P CB 0.209 31.884 31.700 -0.042 0.000 0.788 203 G N -0.617 108.164 108.800 -0.032 0.000 2.460 203 G HA2 0.181 4.140 3.960 -0.001 0.000 0.259 203 G HA3 0.181 4.140 3.960 -0.001 0.000 0.259 203 G C 0.168 175.057 174.900 -0.019 0.000 0.959 203 G CA -0.279 44.806 45.100 -0.024 0.000 1.330 203 G HN 0.650 nan 8.290 nan 0.000 0.451 204 G N 0.842 109.630 108.800 -0.019 0.000 2.219 204 G HA2 0.754 4.713 3.960 -0.001 0.000 0.304 204 G HA3 0.754 4.713 3.960 -0.001 0.000 0.304 204 G C -0.842 174.051 174.900 -0.012 0.000 1.712 204 G CA 0.305 45.397 45.100 -0.013 0.000 0.905 204 G HN 1.603 nan 8.290 nan 0.000 0.706 205 E N -0.610 119.587 120.200 -0.006 0.000 2.433 205 E HA 0.754 5.104 4.350 -0.001 0.000 0.278 205 E C -0.344 176.257 176.600 0.003 0.000 0.976 205 E CA -0.916 55.483 56.400 -0.001 0.000 0.793 205 E CB 2.041 31.741 29.700 0.001 0.000 1.311 205 E HN 0.635 nan 8.360 nan 0.000 0.460 206 T N -1.376 113.181 114.554 0.006 0.000 3.483 206 T HA 0.597 4.946 4.350 -0.001 0.000 0.258 206 T C 0.395 175.101 174.700 0.011 0.000 1.013 206 T CA -0.187 61.918 62.100 0.007 0.000 1.078 206 T CB 0.125 68.996 68.868 0.006 0.000 1.111 206 T HN 1.409 nan 8.240 nan 0.000 0.538 207 A N -0.742 122.087 122.820 0.014 0.000 2.429 207 A HA 0.272 4.591 4.320 -0.001 0.000 0.290 207 A C 0.801 178.399 177.584 0.024 0.000 1.439 207 A CA 0.558 52.606 52.037 0.018 0.000 0.731 207 A CB -1.579 17.431 19.000 0.016 0.000 1.138 207 A HN 1.614 nan 8.150 nan 0.000 0.384 208 G N -0.645 108.173 108.800 0.031 0.000 3.137 208 G HA2 0.550 4.509 3.960 -0.001 0.000 0.196 208 G HA3 0.550 4.509 3.960 -0.001 0.000 0.196 208 G C 0.265 175.208 174.900 0.071 0.000 1.135 208 G CA 0.554 45.679 45.100 0.042 0.000 0.803 208 G HN 0.162 nan 8.290 nan 0.000 0.619 209 D N 0.080 120.541 120.400 0.102 0.000 2.219 209 D HA -0.052 4.587 4.640 -0.001 0.000 0.205 209 D C 2.573 178.959 176.300 0.142 0.000 0.970 209 D CA 0.671 54.794 54.000 0.205 0.000 0.851 209 D CB 0.022 41.005 40.800 0.304 0.000 0.943 209 D HN 0.052 nan 8.370 nan 0.000 0.488 210 M N 0.137 119.768 119.600 0.051 0.000 2.159 210 M HA -0.042 4.437 4.480 -0.001 0.000 0.263 210 M C 2.250 178.542 176.300 -0.013 0.000 1.063 210 M CA 1.055 56.347 55.300 -0.014 0.000 1.110 210 M CB -1.250 31.339 32.600 -0.018 0.000 1.374 210 M HN 0.018 nan 8.290 nan 0.000 0.411 211 G N -0.721 108.090 108.800 0.020 0.000 2.448 211 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 211 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 211 G C 1.786 176.706 174.900 0.034 0.000 1.135 211 G CA 0.521 45.632 45.100 0.019 0.000 0.784 211 G HN 0.431 nan 8.290 nan 0.000 0.543 212 K N -0.358 120.089 120.400 0.078 0.000 2.379 212 K HA 0.340 4.660 4.320 -0.001 0.000 0.194 212 K C 2.127 178.797 176.600 0.116 0.000 1.031 212 K CA -0.161 56.202 56.287 0.126 0.000 1.037 212 K CB -0.045 32.567 32.500 0.187 0.000 0.824 212 K HN 0.243 nan 8.250 nan 0.000 0.516 213 L N 0.313 121.522 121.223 -0.024 0.000 2.109 213 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 213 L C 2.223 179.000 176.870 -0.155 0.000 1.086 213 L CA 1.048 55.722 54.840 -0.277 0.000 0.760 213 L CB -0.117 41.682 42.059 -0.432 0.000 0.910 213 L HN 0.137 nan 8.230 nan 0.000 0.437 214 R N -0.403 120.045 120.500 -0.087 0.000 2.081 214 R HA -0.178 4.162 4.340 -0.001 0.000 0.235 214 R C 2.180 178.456 176.300 -0.040 0.000 1.131 214 R CA 1.341 57.402 56.100 -0.064 0.000 0.960 214 R CB -0.275 29.999 30.300 -0.044 0.000 0.856 214 R HN 0.452 nan 8.270 nan 0.000 0.436 215 Q N -0.027 119.766 119.800 -0.012 0.000 2.297 215 Q HA -0.039 4.301 4.340 -0.001 0.000 0.204 215 Q C 1.765 177.771 176.000 0.011 0.000 0.962 215 Q CA 0.600 56.406 55.803 0.005 0.000 0.879 215 Q CB 0.234 28.986 28.738 0.023 0.000 0.947 215 Q HN 0.300 nan 8.270 nan 0.000 0.462 216 I N 0.044 120.623 120.570 0.015 0.000 2.716 216 I HA -0.122 4.048 4.170 -0.001 0.000 0.259 216 I C 1.949 178.061 176.117 -0.008 0.000 1.172 216 I CA 1.079 62.396 61.300 0.028 0.000 1.478 216 I CB -0.435 37.615 38.000 0.084 0.000 1.104 216 I HN 0.227 nan 8.210 nan 0.000 0.439 217 I N 0.039 120.585 120.570 -0.041 0.000 2.584 217 I HA -0.187 3.982 4.170 -0.001 0.000 0.255 217 I C 2.461 178.549 176.117 -0.048 0.000 1.145 217 I CA 0.561 61.827 61.300 -0.055 0.000 1.462 217 I CB -0.159 37.791 38.000 -0.083 0.000 1.102 217 I HN 0.227 nan 8.210 nan 0.000 0.433 218 Q N 1.368 121.144 119.800 -0.040 0.000 1.967 218 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 218 Q C 0.962 176.945 176.000 -0.029 0.000 0.985 218 Q CA 1.124 56.904 55.803 -0.038 0.000 0.839 218 Q CB -0.211 28.509 28.738 -0.029 0.000 0.906 218 Q HN 0.501 nan 8.270 nan 0.000 0.423 219 R N 0.089 120.581 120.500 -0.014 0.000 2.605 219 R HA 0.217 4.556 4.340 -0.001 0.000 0.271 219 R C 0.284 176.579 176.300 -0.008 0.000 1.418 219 R CA 0.707 56.804 56.100 -0.006 0.000 1.102 219 R CB -0.011 30.293 30.300 0.007 0.000 1.131 219 R HN 0.314 nan 8.270 nan 0.000 0.554 220 G N 0.418 109.207 108.800 -0.018 0.000 4.491 220 G HA2 0.132 4.091 3.960 -0.001 0.000 0.216 220 G HA3 0.132 4.091 3.960 -0.001 0.000 0.216 220 G C 0.718 175.594 174.900 -0.041 0.000 0.705 220 G CA -0.101 44.984 45.100 -0.024 0.000 0.832 220 G HN 0.947 nan 8.290 nan 0.000 0.602 221 G N -0.077 108.697 108.800 -0.044 0.000 2.176 221 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.253 221 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.253 221 G C 0.256 175.114 174.900 -0.071 0.000 0.979 221 G CA 0.354 45.420 45.100 -0.056 0.000 0.641 221 G HN 0.884 nan 8.290 nan 0.000 0.530 222 I N 1.267 121.793 120.570 -0.073 0.000 2.471 222 I HA 0.444 4.613 4.170 -0.001 0.000 0.286 222 I C 0.678 176.743 176.117 -0.085 0.000 1.079 222 I CA -0.688 60.563 61.300 -0.082 0.000 1.398 222 I CB 1.144 39.093 38.000 -0.084 0.000 1.403 222 I HN 0.165 nan 8.210 nan 0.000 0.530 223 L N 8.329 129.498 121.223 -0.091 0.000 2.331 223 L HA 0.387 4.726 4.340 -0.001 0.000 0.278 223 L C -0.208 176.608 176.870 -0.090 0.000 1.106 223 L CA 0.320 55.104 54.840 -0.093 0.000 0.824 223 L CB 0.122 42.127 42.059 -0.091 0.000 1.142 223 L HN 0.381 nan 8.230 nan 0.000 0.443 224 I N 4.977 125.498 120.570 -0.082 0.000 2.337 224 I HA 0.162 4.331 4.170 -0.001 0.000 0.291 224 I C -0.087 175.995 176.117 -0.059 0.000 1.046 224 I CA -0.062 61.192 61.300 -0.077 0.000 1.324 224 I CB 0.572 38.532 38.000 -0.067 0.000 1.409 224 I HN 0.593 nan 8.210 nan 0.000 0.494 225 T N 5.675 120.188 114.554 -0.068 0.000 3.042 225 T HA 0.226 4.575 4.350 -0.001 0.000 0.356 225 T C -0.122 174.568 174.700 -0.017 0.000 1.233 225 T CA -0.637 61.451 62.100 -0.020 0.000 1.038 225 T CB 0.011 68.876 68.868 -0.006 0.000 1.089 225 T HN 0.474 nan 8.240 nan 0.000 0.531 226 E N 3.031 123.229 120.200 -0.004 0.000 2.290 226 E HA 0.324 4.673 4.350 -0.001 0.000 0.277 226 E C 0.304 176.916 176.600 0.021 0.000 1.035 226 E CA -0.137 56.260 56.400 -0.005 0.000 0.873 226 E CB 1.185 30.878 29.700 -0.010 0.000 1.029 226 E HN 0.358 nan 8.360 nan 0.000 0.419 227 R N 2.059 122.569 120.500 0.017 0.000 2.912 227 R HA 0.388 4.727 4.340 -0.001 0.000 0.262 227 R C 0.025 176.331 176.300 0.009 0.000 1.057 227 R CA -0.948 55.170 56.100 0.031 0.000 0.981 227 R CB 1.679 32.017 30.300 0.063 0.000 1.201 227 R HN 0.317 nan 8.270 nan 0.000 0.484 228 K N 1.206 121.611 120.400 0.008 0.000 2.332 228 K HA 0.103 4.422 4.320 -0.001 0.000 0.246 228 K C -0.158 176.435 176.600 -0.011 0.000 1.066 228 K CA -0.088 56.197 56.287 -0.003 0.000 0.898 228 K CB 0.290 32.788 32.500 -0.003 0.000 1.192 228 K HN 0.248 nan 8.250 nan 0.000 0.509 229 K N 1.305 121.695 120.400 -0.016 0.000 2.034 229 K HA -0.002 4.317 4.320 -0.001 0.000 0.225 229 K C 0.011 176.593 176.600 -0.030 0.000 1.190 229 K CA -0.109 56.164 56.287 -0.024 0.000 1.152 229 K CB -0.151 32.336 32.500 -0.023 0.000 1.300 229 K HN 0.462 nan 8.250 nan 0.000 0.268 230 A N 1.881 124.682 122.820 -0.031 0.000 2.500 230 A HA 0.063 4.382 4.320 -0.001 0.000 0.267 230 A C 0.078 177.630 177.584 -0.052 0.000 1.290 230 A CA -0.235 51.777 52.037 -0.041 0.000 0.928 230 A CB 0.264 19.248 19.000 -0.025 0.000 1.066 230 A HN 0.381 nan 8.150 nan 0.000 0.516 231 D N 0.055 120.425 120.400 -0.049 0.000 2.538 231 D HA 0.209 4.848 4.640 -0.001 0.000 0.234 231 D C 0.181 176.447 176.300 -0.056 0.000 1.191 231 D CA 0.251 54.219 54.000 -0.054 0.000 0.828 231 D CB -0.613 40.157 40.800 -0.050 0.000 0.981 231 D HN 0.385 nan 8.370 nan 0.000 0.490 232 F N 1.528 121.440 119.950 -0.064 0.000 2.471 232 F HA 0.231 4.758 4.527 -0.001 0.000 0.365 232 F C 1.833 177.593 175.800 -0.067 0.000 1.095 232 F CA -0.478 57.485 58.000 -0.062 0.000 1.174 232 F CB 0.253 39.211 39.000 -0.070 0.000 1.105 232 F HN 0.091 nan 8.300 nan 0.000 0.535 233 S N 0.701 116.371 115.700 -0.050 0.000 2.461 233 S HA -0.051 4.418 4.470 -0.001 0.000 0.228 233 S C 1.086 175.667 174.600 -0.031 0.000 1.005 233 S CA 0.855 59.029 58.200 -0.043 0.000 0.942 233 S CB -1.263 61.915 63.200 -0.035 0.000 0.776 233 S HN 1.464 nan 8.310 nan 0.000 0.514 234 T N 0.739 115.278 114.554 -0.025 0.000 3.162 234 T HA 0.393 4.742 4.350 -0.001 0.000 0.264 234 T C 0.323 175.034 174.700 0.019 0.000 0.959 234 T CA -0.488 61.612 62.100 -0.001 0.000 1.118 234 T CB 0.125 68.995 68.868 0.003 0.000 0.979 234 T HN 0.470 nan 8.240 nan 0.000 0.679 235 K N 1.459 121.890 120.400 0.051 0.000 2.378 235 K HA 0.220 4.539 4.320 -0.001 0.000 0.222 235 K C 0.803 177.537 176.600 0.225 0.000 1.178 235 K CA -0.079 56.310 56.287 0.170 0.000 0.827 235 K CB 0.192 32.750 32.500 0.097 0.000 1.412 235 K HN 0.346 nan 8.250 nan 0.000 0.443 236 D N 0.307 120.775 120.400 0.114 0.000 4.435 236 D HA -0.294 4.345 4.640 -0.001 0.000 0.221 236 D C 1.387 177.712 176.300 0.042 0.000 1.021 236 D CA 2.443 56.479 54.000 0.060 0.000 2.165 236 D CB -1.242 39.581 40.800 0.038 0.000 1.159 236 D HN 0.198 nan 8.370 nan 0.000 0.408 237 I N 0.075 120.649 120.570 0.007 0.000 2.286 237 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 237 I C 2.375 178.407 176.117 -0.142 0.000 1.115 237 I CA 1.366 62.598 61.300 -0.113 0.000 1.392 237 I CB -0.429 37.429 38.000 -0.236 0.000 1.065 237 I HN 0.164 nan 8.210 nan 0.000 0.418 238 Y N 1.012 121.296 120.300 -0.028 0.000 2.293 238 Y HA -0.188 4.360 4.550 -0.002 0.000 0.291 238 Y C 2.709 178.577 175.900 -0.054 0.000 1.137 238 Y CA 1.034 59.110 58.100 -0.040 0.000 1.202 238 Y CB -0.467 37.965 38.460 -0.046 0.000 0.990 238 Y HN 0.189 nan 8.280 nan 0.000 0.537 239 Q N -0.182 119.681 119.800 0.106 0.000 2.083 239 Q HA -0.142 4.197 4.340 -0.001 0.000 0.198 239 Q C 1.134 177.137 176.000 0.006 0.000 0.969 239 Q CA 1.353 57.173 55.803 0.027 0.000 0.838 239 Q CB -0.060 28.689 28.738 0.018 0.000 0.900 239 Q HN 0.395 nan 8.270 nan 0.000 0.436 240 D N 0.536 120.940 120.400 0.007 0.000 2.371 240 D HA -0.045 4.594 4.640 -0.001 0.000 0.221 240 D C 1.413 177.718 176.300 0.008 0.000 0.986 240 D CA 0.582 54.584 54.000 0.002 0.000 0.899 240 D CB 0.085 40.881 40.800 -0.006 0.000 0.902 240 D HN 0.226 nan 8.370 nan 0.000 0.530 241 L N -0.211 121.016 121.223 0.007 0.000 2.395 241 L HA -0.006 4.333 4.340 -0.001 0.000 0.218 241 L C 0.323 177.231 176.870 0.063 0.000 1.130 241 L CA 0.629 55.484 54.840 0.025 0.000 0.826 241 L CB -0.061 42.008 42.059 0.017 0.000 0.941 241 L HN -0.058 nan 8.230 nan 0.000 0.451 242 N N -0.545 118.185 118.700 0.049 0.000 2.265 242 N HA 0.379 5.119 4.740 -0.001 0.000 0.300 242 N C -0.379 175.179 175.510 0.081 0.000 1.148 242 N CA -0.638 52.472 53.050 0.100 0.000 0.772 242 N CB 1.449 39.959 38.487 0.039 0.000 1.434 242 N HN -0.067 nan 8.380 nan 0.000 0.481 248 K N -0.730 119.668 120.400 -0.004 0.000 2.273 248 K HA 0.758 5.077 4.320 -0.001 0.000 0.287 248 K C 0.732 177.332 176.600 -0.000 0.000 1.089 248 K CA 0.635 56.922 56.287 -0.000 0.000 0.909 248 K CB 0.667 33.169 32.500 0.003 0.000 1.123 248 K HN 1.527 nan 8.250 nan 0.000 0.473 249 K N 0.669 121.068 120.400 -0.000 0.000 2.410 249 K HA 0.438 4.757 4.320 -0.001 0.000 0.204 249 K C 1.224 177.824 176.600 0.001 0.000 1.268 249 K CA 0.819 57.106 56.287 -0.001 0.000 0.896 249 K CB 0.514 33.012 32.500 -0.002 0.000 1.401 249 K HN 1.188 nan 8.250 nan 0.000 0.479 250 G N 1.553 110.354 108.800 0.001 0.000 4.566 250 G HA2 0.413 4.372 3.960 -0.001 0.000 0.307 250 G HA3 0.413 4.372 3.960 -0.001 0.000 0.307 250 G C -0.621 174.280 174.900 0.002 0.000 1.383 250 G CA -0.146 44.955 45.100 0.001 0.000 0.910 250 G HN 0.355 nan 8.290 nan 0.000 0.538 251 E N 0.553 120.756 120.200 0.005 0.000 2.304 251 E HA 0.229 4.578 4.350 -0.001 0.000 0.212 251 E C 1.721 178.325 176.600 0.006 0.000 1.185 251 E CA 0.059 56.462 56.400 0.006 0.000 1.326 251 E CB 0.701 30.407 29.700 0.010 0.000 1.283 251 E HN 0.613 nan 8.360 nan 0.000 0.440 252 Q N 0.052 119.854 119.800 0.003 0.000 2.350 252 Q HA 0.116 4.455 4.340 -0.001 0.000 0.225 252 Q C 1.734 177.734 176.000 -0.001 0.000 0.878 252 Q CA 0.123 55.927 55.803 0.001 0.000 0.935 252 Q CB 0.026 28.763 28.738 -0.001 0.000 1.099 252 Q HN 0.167 nan 8.270 nan 0.000 0.527 253 M N 1.147 120.746 119.600 -0.001 0.000 2.394 253 M HA 0.015 4.495 4.480 -0.001 0.000 0.264 253 M C 0.703 177.002 176.300 -0.002 0.000 1.073 253 M CA 1.003 56.302 55.300 -0.002 0.000 1.111 253 M CB -0.503 32.095 32.600 -0.002 0.000 1.401 253 M HN 0.422 nan 8.290 nan 0.000 0.448 254 N N 0.678 119.378 118.700 -0.001 0.000 2.336 254 N HA -0.026 4.713 4.740 -0.001 0.000 0.177 254 N C 0.983 176.492 175.510 -0.002 0.000 1.018 254 N CA 0.837 53.886 53.050 -0.002 0.000 0.878 254 N CB -0.309 38.178 38.487 -0.001 0.000 0.997 254 N HN 0.318 nan 8.380 nan 0.000 0.433 255 S N -0.356 115.344 115.700 -0.001 0.000 3.593 255 S HA 0.481 4.951 4.470 -0.001 0.000 0.224 255 S C 0.805 175.403 174.600 -0.003 0.000 1.333 255 S CA 0.085 58.284 58.200 -0.002 0.000 1.164 255 S CB -0.156 63.044 63.200 0.000 0.000 1.281 255 S HN 0.320 nan 8.310 nan 0.000 0.457 256 A N 0.760 123.577 122.820 -0.004 0.000 1.865 256 A HA 0.548 4.867 4.320 -0.001 0.000 0.204 256 A C 0.381 177.962 177.584 -0.005 0.000 1.791 256 A CA 0.081 52.116 52.037 -0.004 0.000 1.067 256 A CB 0.570 19.568 19.000 -0.003 0.000 1.069 256 A HN 0.597 nan 8.150 nan 0.000 0.556 257 V N 2.467 122.378 119.914 -0.005 0.000 2.235 257 V HA 0.420 4.539 4.120 -0.001 0.000 0.266 257 V C -0.653 175.437 176.094 -0.007 0.000 1.055 257 V CA -0.073 62.224 62.300 -0.006 0.000 0.844 257 V CB 0.320 32.140 31.823 -0.005 0.000 1.097 257 V HN 0.397 nan 8.190 nan 0.000 0.453 258 L N 5.029 126.246 121.223 -0.009 0.000 2.375 258 L HA 0.484 4.823 4.340 -0.001 0.000 0.268 258 L C -0.755 176.109 176.870 -0.010 0.000 1.058 258 L CA -1.730 53.104 54.840 -0.010 0.000 0.803 258 L CB 1.974 44.026 42.059 -0.012 0.000 1.212 258 L HN 0.253 nan 8.230 nan 0.000 0.451 259 P HA -0.113 nan 4.420 nan 0.000 0.222 259 P C 0.739 178.033 177.300 -0.010 0.000 1.147 259 P CA 1.262 64.356 63.100 -0.010 0.000 0.790 259 P CB 0.219 31.911 31.700 -0.013 0.000 0.780 260 E N -0.678 119.513 120.200 -0.015 0.000 2.479 260 E HA 0.151 4.500 4.350 -0.001 0.000 0.193 260 E C 1.678 178.269 176.600 -0.016 0.000 1.049 260 E CA 0.297 56.687 56.400 -0.016 0.000 0.870 260 E CB -0.685 29.000 29.700 -0.026 0.000 0.944 260 E HN 0.053 nan 8.360 nan 0.000 0.492 261 M N 0.911 120.502 119.600 -0.015 0.000 2.495 261 M HA 0.093 4.573 4.480 -0.001 0.000 0.237 261 M C 1.596 177.888 176.300 -0.013 0.000 1.131 261 M CA 0.751 56.041 55.300 -0.016 0.000 1.032 261 M CB 0.017 32.607 32.600 -0.015 0.000 1.513 261 M HN 0.675 nan 8.290 nan 0.000 0.488 262 E N -0.509 119.686 120.200 -0.008 0.000 2.502 262 E HA -0.030 4.320 4.350 -0.001 0.000 0.194 262 E C -0.264 176.332 176.600 -0.006 0.000 1.062 262 E CA 0.205 56.601 56.400 -0.006 0.000 0.867 262 E CB -0.277 29.422 29.700 -0.001 0.000 0.888 262 E HN 0.221 nan 8.360 nan 0.000 0.510 263 N N 1.374 120.069 118.700 -0.009 0.000 3.083 263 N HA 0.055 4.794 4.740 -0.001 0.000 0.260 263 N C 0.962 176.456 175.510 -0.026 0.000 1.163 263 N CA 0.410 53.452 53.050 -0.013 0.000 1.060 263 N CB 1.020 39.504 38.487 -0.005 0.000 1.345 263 N HN 0.413 nan 8.380 nan 0.000 0.515 264 Q N 0.279 120.062 119.800 -0.028 0.000 2.170 264 Q HA -0.055 4.285 4.340 -0.001 0.000 0.203 264 Q C 1.778 177.752 176.000 -0.043 0.000 0.976 264 Q CA 1.520 57.304 55.803 -0.032 0.000 0.858 264 Q CB -0.457 28.265 28.738 -0.027 0.000 0.907 264 Q HN 0.391 nan 8.270 nan 0.000 0.433 265 V N -0.035 119.847 119.914 -0.053 0.000 2.725 265 V HA 0.065 4.184 4.120 -0.001 0.000 0.247 265 V C 2.760 178.809 176.094 -0.075 0.000 1.058 265 V CA 1.187 63.445 62.300 -0.070 0.000 1.080 265 V CB -0.529 31.238 31.823 -0.092 0.000 0.713 265 V HN 0.682 nan 8.190 nan 0.000 0.465 266 A N 0.256 123.036 122.820 -0.066 0.000 1.930 266 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 266 A C 2.330 179.881 177.584 -0.055 0.000 1.175 266 A CA 1.785 53.789 52.037 -0.055 0.000 0.627 266 A CB -0.502 18.480 19.000 -0.030 0.000 0.815 266 A HN 0.329 nan 8.150 nan 0.000 0.443 267 V N -0.123 119.759 119.914 -0.054 0.000 2.453 267 V HA -0.172 3.947 4.120 -0.001 0.000 0.247 267 V C 2.694 178.752 176.094 -0.060 0.000 1.048 267 V CA 2.107 64.373 62.300 -0.058 0.000 1.049 267 V CB -0.706 31.088 31.823 -0.048 0.000 0.672 267 V HN 0.535 nan 8.190 nan 0.000 0.457 268 S N 1.001 116.667 115.700 -0.057 0.000 2.382 268 S HA -0.190 4.279 4.470 -0.001 0.000 0.228 268 S C 2.218 176.780 174.600 -0.063 0.000 1.027 268 S CA 1.738 59.903 58.200 -0.058 0.000 0.991 268 S CB -0.329 62.838 63.200 -0.055 0.000 0.823 268 S HN 0.824 nan 8.310 nan 0.000 0.469 269 S N 1.456 117.117 115.700 -0.065 0.000 2.414 269 S HA 0.084 4.553 4.470 -0.001 0.000 0.227 269 S C 1.734 176.295 174.600 -0.065 0.000 1.022 269 S CA 0.390 58.551 58.200 -0.066 0.000 0.958 269 S CB -0.471 62.690 63.200 -0.065 0.000 0.797 269 S HN 0.315 nan 8.310 nan 0.000 0.493 270 L N 2.180 123.362 121.223 -0.068 0.000 2.275 270 L HA 0.130 4.469 4.340 -0.001 0.000 0.215 270 L C 2.491 179.312 176.870 -0.082 0.000 1.119 270 L CA 1.446 56.238 54.840 -0.080 0.000 0.790 270 L CB -1.083 40.917 42.059 -0.098 0.000 0.919 270 L HN 0.436 nan 8.230 nan 0.000 0.443 271 S N -0.857 114.797 115.700 -0.077 0.000 2.382 271 S HA -0.138 4.332 4.470 -0.001 0.000 0.228 271 S C 2.150 176.709 174.600 -0.069 0.000 1.027 271 S CA 1.118 59.268 58.200 -0.083 0.000 0.991 271 S CB -0.282 62.867 63.200 -0.084 0.000 0.823 271 S HN 0.642 nan 8.310 nan 0.000 0.469 272 A N 0.616 123.404 122.820 -0.053 0.000 1.930 272 A HA 0.042 4.361 4.320 -0.001 0.000 0.217 272 A C 2.269 179.861 177.584 0.012 0.000 1.175 272 A CA 1.594 53.617 52.037 -0.024 0.000 0.627 272 A CB -0.789 18.187 19.000 -0.040 0.000 0.815 272 A HN 0.454 nan 8.150 nan 0.000 0.443 273 V N 1.071 120.969 119.914 -0.026 0.000 2.323 273 V HA -0.242 3.878 4.120 -0.001 0.000 0.244 273 V C 2.506 178.620 176.094 0.033 0.000 1.041 273 V CA 1.852 64.147 62.300 -0.008 0.000 1.025 273 V CB -0.985 30.808 31.823 -0.050 0.000 0.656 273 V HN 0.769 nan 8.190 nan 0.000 0.451 274 I N -1.554 118.993 120.570 -0.039 0.000 2.614 274 I HA -0.131 4.038 4.170 -0.001 0.000 0.258 274 I C 2.066 178.153 176.117 -0.050 0.000 1.189 274 I CA 1.682 62.935 61.300 -0.078 0.000 1.462 274 I CB -0.473 37.445 38.000 -0.136 0.000 1.092 274 I HN 0.165 nan 8.210 nan 0.000 0.442 275 K N -0.015 120.372 120.400 -0.022 0.000 2.379 275 K HA 0.110 4.430 4.320 -0.001 0.000 0.194 275 K C 1.610 178.229 176.600 0.030 0.000 1.031 275 K CA 0.435 56.706 56.287 -0.028 0.000 1.037 275 K CB 0.036 32.497 32.500 -0.065 0.000 0.824 275 K HN 0.285 nan 8.250 nan 0.000 0.516 276 F N 1.875 121.787 119.950 -0.063 0.000 2.118 276 F HA 0.060 4.587 4.527 -0.001 0.000 0.293 276 F C 0.545 176.326 175.800 -0.032 0.000 1.102 276 F CA 0.601 58.576 58.000 -0.041 0.000 1.247 276 F CB 0.165 39.143 39.000 -0.036 0.000 1.017 276 F HN -0.232 nan 8.300 nan 0.000 0.475 277 L N 1.426 122.713 121.223 0.108 0.000 2.395 277 L HA 0.156 4.495 4.340 -0.001 0.000 0.269 277 L C 0.497 177.338 176.870 -0.048 0.000 1.133 277 L CA -0.553 54.295 54.840 0.013 0.000 0.812 277 L CB 0.358 42.462 42.059 0.075 0.000 1.125 277 L HN 0.018 nan 8.230 nan 0.000 0.452 278 E N 2.731 122.903 120.200 -0.046 0.000 2.515 278 E HA 0.012 4.362 4.350 -0.001 0.000 0.315 278 E C 0.863 177.453 176.600 -0.017 0.000 1.523 278 E CA -0.077 56.306 56.400 -0.028 0.000 1.704 278 E CB 0.285 29.980 29.700 -0.009 0.000 1.395 278 E HN 0.477 nan 8.360 nan 0.000 0.490 279 L N 0.599 121.765 121.223 -0.096 0.000 2.005 279 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 279 L C 1.286 178.012 176.870 -0.239 0.000 1.072 279 L CA 1.612 56.287 54.840 -0.275 0.000 0.744 279 L CB 0.009 41.861 42.059 -0.345 0.000 0.895 279 L HN 0.291 nan 8.230 nan 0.000 0.433 280 L N -0.438 120.730 121.223 -0.092 0.000 2.934 280 L HA 0.175 4.515 4.340 -0.001 0.000 0.233 280 L C 0.850 177.757 176.870 0.062 0.000 1.358 280 L CA -0.102 54.739 54.840 0.003 0.000 1.233 280 L CB -0.504 41.584 42.059 0.048 0.000 1.594 280 L HN 0.150 nan 8.230 nan 0.000 0.439 281 S N -1.942 113.818 115.700 0.099 0.000 2.727 281 S HA 0.109 4.578 4.470 -0.001 0.000 0.249 281 S C 0.215 174.898 174.600 0.138 0.000 1.079 281 S CA -0.327 57.933 58.200 0.100 0.000 0.912 281 S CB 0.668 63.913 63.200 0.075 0.000 0.861 281 S HN 0.389 nan 8.310 nan 0.000 0.484 282 D N 3.678 124.223 120.400 0.241 0.000 2.336 282 D HA 0.320 4.959 4.640 -0.001 0.000 0.249 282 D C -0.995 175.423 176.300 0.197 0.000 1.213 282 D CA -0.037 54.093 54.000 0.216 0.000 0.870 282 D CB 0.542 41.495 40.800 0.255 0.000 1.076 282 D HN 0.096 nan 8.370 nan 0.000 0.483 283 D N 0.619 121.083 120.400 0.106 0.000 2.383 283 D HA 0.055 4.694 4.640 -0.001 0.000 0.252 283 D C 0.869 177.205 176.300 0.060 0.000 1.166 283 D CA 0.122 54.172 54.000 0.084 0.000 0.879 283 D CB 0.502 41.333 40.800 0.052 0.000 1.164 283 D HN 0.363 nan 8.370 nan 0.000 0.462 284 S N 1.652 117.399 115.700 0.077 0.000 3.402 284 S HA -0.300 4.169 4.470 -0.001 0.000 0.329 284 S C 0.696 175.291 174.600 -0.009 0.000 1.194 284 S CA 0.712 58.941 58.200 0.049 0.000 0.951 284 S CB -1.725 61.492 63.200 0.028 0.000 0.975 284 S HN 0.506 nan 8.310 nan 0.000 0.574 285 N N -0.056 118.601 118.700 -0.071 0.000 2.280 285 N HA 0.480 5.220 4.740 -0.001 0.000 0.192 285 N C 0.180 175.308 175.510 -0.638 0.000 1.109 285 N CA 0.458 53.301 53.050 -0.344 0.000 0.855 285 N CB -0.076 38.138 38.487 -0.455 0.000 0.974 285 N HN 0.645 nan 8.380 nan 0.000 0.482 286 F N -1.250 118.753 119.950 0.088 0.000 3.218 286 F HA 0.503 5.029 4.527 -0.001 0.000 0.197 286 F C 1.595 177.464 175.800 0.114 0.000 1.585 286 F CA -0.252 57.832 58.000 0.139 0.000 0.982 286 F CB -0.369 38.786 39.000 0.258 0.000 1.909 286 F HN -0.107 nan 8.300 nan 0.000 0.262 287 G N 0.553 109.600 108.800 0.412 0.000 2.148 287 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.254 287 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.254 287 G C 0.010 175.035 174.900 0.208 0.000 0.981 287 G CA 0.706 45.949 45.100 0.237 0.000 0.670 287 G HN 0.472 nan 8.290 nan 0.000 0.528 288 Q N -1.995 117.974 119.800 0.282 0.000 3.087 288 Q HA 0.790 5.129 4.340 -0.001 0.000 0.202 288 Q C 0.537 176.725 176.000 0.314 0.000 1.163 288 Q CA -0.616 55.286 55.803 0.164 0.000 0.389 288 Q CB 0.725 29.454 28.738 -0.015 0.000 5.541 288 Q HN 0.634 nan 8.270 nan 0.000 0.301 289 F N 0.070 120.067 119.950 0.078 0.000 2.183 289 F HA -0.232 4.295 4.527 -0.001 0.000 0.318 289 F C -0.530 175.290 175.800 0.033 0.000 1.271 289 F CA 0.493 58.527 58.000 0.057 0.000 0.912 289 F CB -0.296 38.730 39.000 0.042 0.000 4.135 289 F HN 0.365 nan 8.300 nan 0.000 0.137 290 E N 0.885 121.232 120.200 0.245 0.000 2.292 290 E HA 0.483 4.832 4.350 -0.001 0.000 0.272 290 E C -0.586 176.069 176.600 0.092 0.000 0.881 290 E CA -0.862 55.614 56.400 0.126 0.000 0.754 290 E CB 1.752 31.504 29.700 0.087 0.000 1.201 290 E HN 0.504 nan 8.360 nan 0.000 0.425 291 L N 1.864 123.109 121.223 0.036 0.000 2.672 291 L HA 0.078 4.417 4.340 -0.001 0.000 0.236 291 L C 0.772 177.622 176.870 -0.032 0.000 1.186 291 L CA 0.006 54.838 54.840 -0.013 0.000 0.977 291 L CB -0.694 41.349 42.059 -0.027 0.000 1.203 291 L HN 0.515 nan 8.230 nan 0.000 0.448 292 T N -1.247 113.297 114.554 -0.016 0.000 2.829 292 T HA 0.215 4.564 4.350 -0.001 0.000 0.293 292 T C 0.425 175.095 174.700 -0.050 0.000 0.970 292 T CA -0.438 61.623 62.100 -0.065 0.000 1.168 292 T CB 0.479 69.318 68.868 -0.048 0.000 0.911 292 T HN 0.287 nan 8.240 nan 0.000 0.535 293 T N 1.464 115.949 114.554 -0.115 0.000 2.879 293 T HA 0.627 4.976 4.350 -0.001 0.000 0.290 293 T C -0.712 173.946 174.700 -0.069 0.000 0.993 293 T CA -0.915 61.190 62.100 0.009 0.000 0.975 293 T CB 0.652 69.547 68.868 0.045 0.000 0.981 293 T HN 0.450 nan 8.240 nan 0.000 0.439 294 F N 1.669 121.733 119.950 0.191 0.000 2.377 294 F HA 0.474 5.001 4.527 0.001 0.000 0.328 294 F C 0.955 176.860 175.800 0.175 0.000 1.094 294 F CA -0.599 57.493 58.000 0.154 0.000 1.093 294 F CB 1.058 40.158 39.000 0.166 0.000 1.214 294 F HN 0.602 nan 8.300 nan 0.000 0.518 295 D N 1.579 122.159 120.400 0.300 0.000 2.382 295 D HA -0.003 4.636 4.640 -0.001 0.000 0.245 295 D C 0.774 177.188 176.300 0.190 0.000 1.120 295 D CA -0.095 54.032 54.000 0.212 0.000 0.890 295 D CB 0.544 41.380 40.800 0.060 0.000 1.201 295 D HN 0.390 nan 8.370 nan 0.000 0.433 296 F N 1.065 121.076 119.950 0.102 0.000 2.502 296 F HA -0.013 4.512 4.527 -0.003 0.000 0.298 296 F C 1.795 177.620 175.800 0.041 0.000 1.111 296 F CA 0.607 58.654 58.000 0.078 0.000 1.445 296 F CB -0.533 38.435 39.000 -0.053 0.000 1.081 296 F HN 0.234 nan 8.300 nan 0.000 0.558 297 S N -0.373 114.879 115.700 -0.748 0.000 2.562 297 S HA -0.054 4.415 4.470 -0.001 0.000 0.221 297 S C 1.510 175.928 174.600 -0.303 0.000 0.975 297 S CA 0.230 58.071 58.200 -0.598 0.000 0.918 297 S CB -0.614 62.203 63.200 -0.638 0.000 0.772 297 S HN 0.649 nan 8.310 nan 0.000 0.531 298 Q N -0.236 119.385 119.800 -0.299 0.000 2.472 298 Q HA 0.154 4.494 4.340 -0.001 0.000 0.208 298 Q C -0.510 175.178 176.000 -0.521 0.000 0.958 298 Q CA 0.621 56.179 55.803 -0.408 0.000 0.932 298 Q CB 0.041 28.483 28.738 -0.493 0.000 1.007 298 Q HN 0.685 nan 8.270 nan 0.000 0.508 299 Y N -0.870 119.394 120.300 -0.059 0.000 2.686 299 Y HA 0.371 4.920 4.550 -0.001 0.000 0.330 299 Y C -0.105 175.771 175.900 -0.040 0.000 1.082 299 Y CA -1.501 56.574 58.100 -0.041 0.000 1.158 299 Y CB 0.830 39.286 38.460 -0.008 0.000 1.333 299 Y HN -0.115 nan 8.280 nan 0.000 0.519 300 M N 2.015 121.714 119.600 0.165 0.000 2.146 300 M HA 0.319 4.798 4.480 -0.001 0.000 0.357 300 M C -1.112 175.234 176.300 0.076 0.000 1.261 300 M CA -0.300 55.043 55.300 0.072 0.000 1.106 300 M CB 0.370 32.990 32.600 0.033 0.000 1.612 300 M HN 0.563 nan 8.290 nan 0.000 0.470 301 K N 4.925 125.362 120.400 0.062 0.000 2.202 301 K HA 0.590 4.910 4.320 -0.001 0.000 0.264 301 K C -1.087 175.540 176.600 0.045 0.000 1.010 301 K CA -0.237 56.091 56.287 0.068 0.000 0.940 301 K CB 0.909 33.455 32.500 0.077 0.000 0.983 301 K HN 0.680 nan 8.250 nan 0.000 0.475 302 L N 1.101 122.350 121.223 0.044 0.000 2.424 302 L HA 0.328 4.667 4.340 -0.001 0.000 0.258 302 L C -0.737 176.154 176.870 0.036 0.000 0.995 302 L CA -1.155 53.706 54.840 0.036 0.000 0.821 302 L CB 2.252 44.334 42.059 0.038 0.000 1.383 302 L HN 0.562 nan 8.230 nan 0.000 0.410 303 D N 0.344 120.764 120.400 0.034 0.000 2.387 303 D HA 0.365 5.004 4.640 -0.001 0.000 0.251 303 D C 1.108 177.429 176.300 0.036 0.000 1.141 303 D CA -0.259 53.762 54.000 0.035 0.000 0.987 303 D CB 1.814 42.634 40.800 0.033 0.000 1.116 303 D HN 0.353 nan 8.370 nan 0.000 0.491 304 I N 0.403 120.993 120.570 0.034 0.000 2.617 304 I HA -0.130 4.039 4.170 -0.001 0.000 0.256 304 I C 2.026 178.166 176.117 0.039 0.000 1.167 304 I CA 0.694 62.014 61.300 0.034 0.000 1.469 304 I CB -0.071 37.945 38.000 0.027 0.000 1.098 304 I HN 0.280 nan 8.210 nan 0.000 0.436 305 A N 0.616 123.459 122.820 0.038 0.000 2.132 305 A HA 0.281 4.600 4.320 -0.001 0.000 0.213 305 A C 2.442 180.053 177.584 0.044 0.000 1.154 305 A CA 0.971 53.032 52.037 0.041 0.000 0.753 305 A CB -0.330 18.693 19.000 0.039 0.000 0.826 305 A HN 0.355 nan 8.150 nan 0.000 0.469 306 A N -0.397 122.448 122.820 0.041 0.000 1.968 306 A HA 0.110 4.429 4.320 -0.001 0.000 0.217 306 A C 2.064 179.673 177.584 0.041 0.000 1.169 306 A CA 1.498 53.558 52.037 0.038 0.000 0.638 306 A CB -0.548 18.471 19.000 0.031 0.000 0.812 306 A HN 0.295 nan 8.150 nan 0.000 0.446 307 V N 0.081 120.026 119.914 0.052 0.000 2.379 307 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 307 V C 2.565 178.699 176.094 0.066 0.000 1.044 307 V CA 2.050 64.392 62.300 0.070 0.000 1.036 307 V CB -0.772 31.112 31.823 0.101 0.000 0.664 307 V HN 0.515 nan 8.190 nan 0.000 0.453 308 R N 0.197 120.733 120.500 0.061 0.000 2.115 308 R HA -0.055 4.284 4.340 -0.001 0.000 0.230 308 R C 2.398 178.731 176.300 0.055 0.000 1.111 308 R CA 1.299 57.434 56.100 0.058 0.000 0.976 308 R CB -0.496 29.834 30.300 0.051 0.000 0.870 308 R HN 0.535 nan 8.270 nan 0.000 0.445 309 A N 1.147 123.999 122.820 0.054 0.000 1.898 309 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 309 A C 1.993 179.621 177.584 0.072 0.000 1.181 309 A CA 1.066 53.139 52.037 0.059 0.000 0.620 309 A CB -0.281 18.752 19.000 0.055 0.000 0.819 309 A HN 0.181 nan 8.150 nan 0.000 0.442 310 L N -1.307 119.951 121.223 0.057 0.000 2.567 310 L HA 0.095 4.434 4.340 -0.001 0.000 0.225 310 L C 0.529 177.430 176.870 0.051 0.000 1.119 310 L CA 0.215 55.089 54.840 0.056 0.000 0.871 310 L CB -0.512 41.547 42.059 0.002 0.000 1.036 310 L HN 0.492 nan 8.230 nan 0.000 0.459 311 N N 0.920 119.647 118.700 0.046 0.000 2.641 311 N HA -0.207 4.532 4.740 -0.001 0.000 0.267 311 N C 0.444 175.936 175.510 -0.029 0.000 1.087 311 N CA 0.280 53.350 53.050 0.034 0.000 0.731 311 N CB -0.965 37.553 38.487 0.051 0.000 0.886 311 N HN 0.281 nan 8.380 nan 0.000 0.547 312 L N -0.442 120.749 121.223 -0.053 0.000 2.179 312 L HA 0.013 4.352 4.340 -0.001 0.000 0.208 312 L C 1.262 177.786 176.870 -0.576 0.000 1.096 312 L CA 1.105 55.783 54.840 -0.270 0.000 0.779 312 L CB -0.197 41.757 42.059 -0.176 0.000 0.922 312 L HN 0.345 nan 8.230 nan 0.000 0.443 313 F N -2.515 117.441 119.950 0.010 0.000 1.965 313 F HA 0.228 4.755 4.527 -0.001 0.000 0.237 313 F C 1.259 177.060 175.800 0.002 0.000 1.132 313 F CA -0.305 57.696 58.000 0.002 0.000 1.272 313 F CB 0.304 39.300 39.000 -0.008 0.000 1.657 313 F HN -0.234 nan 8.300 nan 0.000 0.525 314 Q N -1.241 118.683 119.800 0.207 0.000 3.110 314 Q HA 0.659 4.999 4.340 -0.001 0.000 0.360 314 Q C -0.831 175.216 176.000 0.078 0.000 0.820 314 Q CA -0.649 55.221 55.803 0.111 0.000 0.845 314 Q CB 2.675 31.467 28.738 0.090 0.000 1.357 314 Q HN 0.345 nan 8.270 nan 0.000 0.480 315 G N 0.261 109.094 108.800 0.055 0.000 2.348 315 G HA2 0.335 4.294 3.960 -0.001 0.000 0.296 315 G HA3 0.335 4.294 3.960 -0.001 0.000 0.296 315 G C -1.154 173.765 174.900 0.032 0.000 1.258 315 G CA -0.048 45.078 45.100 0.042 0.000 0.868 315 G HN 0.592 nan 8.290 nan 0.000 0.488 322 G N 2.597 111.403 108.800 0.009 0.000 2.601 322 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.252 322 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.252 322 G C 0.146 175.048 174.900 0.003 0.000 1.294 322 G CA 0.062 45.165 45.100 0.005 0.000 0.912 322 G HN 2.058 nan 8.290 nan 0.000 0.574 323 S N -0.473 115.226 115.700 -0.001 0.000 2.603 323 S HA 0.558 5.027 4.470 -0.001 0.000 0.268 323 S C 0.361 174.973 174.600 0.019 0.000 1.317 323 S CA 0.571 58.773 58.200 0.004 0.000 1.012 323 S CB 1.758 64.949 63.200 -0.015 0.000 0.926 323 S HN 0.975 nan 8.310 nan 0.000 0.539 324 Q N 0.516 120.331 119.800 0.026 0.000 2.396 324 Q HA 0.297 4.636 4.340 -0.001 0.000 0.221 324 Q C 0.223 176.237 176.000 0.024 0.000 1.025 324 Q CA -0.408 55.408 55.803 0.021 0.000 0.946 324 Q CB 0.853 29.600 28.738 0.016 0.000 1.224 324 Q HN 0.828 nan 8.270 nan 0.000 0.539 325 S N 0.458 116.162 115.700 0.006 0.000 2.603 325 S HA 0.045 4.514 4.470 -0.001 0.000 0.268 325 S C 0.772 175.344 174.600 -0.047 0.000 1.317 325 S CA -0.542 57.647 58.200 -0.019 0.000 1.012 325 S CB 0.600 63.785 63.200 -0.025 0.000 0.926 325 S HN 0.600 nan 8.310 nan 0.000 0.539 326 L N 3.953 125.116 121.223 -0.100 0.000 2.179 326 L HA 0.299 4.638 4.340 -0.001 0.000 0.208 326 L C 2.309 179.090 176.870 -0.148 0.000 1.096 326 L CA 2.116 56.887 54.840 -0.114 0.000 0.779 326 L CB -1.260 40.716 42.059 -0.139 0.000 0.922 326 L HN 0.842 nan 8.230 nan 0.000 0.443 327 A N -0.603 122.064 122.820 -0.254 0.000 1.897 327 A HA 0.043 4.362 4.320 -0.001 0.000 0.215 327 A C 2.410 179.931 177.584 -0.105 0.000 1.181 327 A CA 1.276 53.170 52.037 -0.238 0.000 0.620 327 A CB -0.956 17.798 19.000 -0.411 0.000 0.821 327 A HN 0.463 nan 8.150 nan 0.000 0.443 328 A N -0.499 122.278 122.820 -0.073 0.000 1.972 328 A HA -0.001 4.318 4.320 -0.001 0.000 0.219 328 A C 2.114 179.673 177.584 -0.043 0.000 1.169 328 A CA 1.716 53.730 52.037 -0.038 0.000 0.635 328 A CB -0.503 18.488 19.000 -0.016 0.000 0.810 328 A HN 0.644 nan 8.150 nan 0.000 0.446 329 L N -0.507 120.689 121.223 -0.045 0.000 2.034 329 L HA 0.051 4.390 4.340 -0.001 0.000 0.203 329 L C 2.114 178.951 176.870 -0.056 0.000 1.074 329 L CA 1.655 56.473 54.840 -0.037 0.000 0.748 329 L CB -0.449 41.599 42.059 -0.020 0.000 0.905 329 L HN 0.342 nan 8.230 nan 0.000 0.439 330 L N -0.148 121.040 121.223 -0.058 0.000 2.376 330 L HA -0.028 4.311 4.340 -0.001 0.000 0.219 330 L C 0.538 177.270 176.870 -0.230 0.000 1.133 330 L CA 0.235 55.022 54.840 -0.088 0.000 0.816 330 L CB -0.575 41.520 42.059 0.060 0.000 0.933 330 L HN 0.319 nan 8.230 nan 0.000 0.449 331 N N 0.797 119.398 118.700 -0.166 0.000 2.918 331 N HA 0.068 4.808 4.740 -0.001 0.000 0.247 331 N C 0.157 175.577 175.510 -0.149 0.000 1.117 331 N CA 0.050 52.988 53.050 -0.188 0.000 1.005 331 N CB 0.514 38.928 38.487 -0.123 0.000 1.297 331 N HN -0.145 nan 8.380 nan 0.000 0.513 332 K N 0.756 121.052 120.400 -0.173 0.000 2.570 332 K HA 0.282 4.601 4.320 -0.001 0.000 0.210 332 K C -0.415 176.080 176.600 -0.175 0.000 1.048 332 K CA -0.238 55.966 56.287 -0.139 0.000 1.167 332 K CB -0.459 31.994 32.500 -0.079 0.000 0.892 332 K HN 0.408 nan 8.250 nan 0.000 0.480 333 C N 0.995 120.189 119.300 -0.177 0.000 2.676 333 C HA 0.132 4.591 4.460 -0.001 0.000 0.416 333 C C 1.505 176.421 174.990 -0.124 0.000 1.299 333 C CA -0.350 58.571 59.018 -0.163 0.000 2.048 333 C CB 0.432 28.073 27.740 -0.166 0.000 2.713 333 C HN 0.486 nan 8.230 nan 0.000 0.624 334 K N 0.260 120.597 120.400 -0.106 0.000 2.367 334 K HA 0.045 4.365 4.320 -0.001 0.000 0.194 334 K C 0.741 177.312 176.600 -0.050 0.000 1.027 334 K CA 0.381 56.623 56.287 -0.076 0.000 1.075 334 K CB 0.204 32.661 32.500 -0.072 0.000 0.845 334 K HN 0.894 nan 8.250 nan 0.000 0.529 335 T N -1.803 112.720 114.554 -0.051 0.000 2.855 335 T HA 0.278 4.627 4.350 -0.001 0.000 0.281 335 T C -2.429 172.238 174.700 -0.055 0.000 1.007 335 T CA -2.285 59.795 62.100 -0.034 0.000 1.009 335 T CB 1.996 70.854 68.868 -0.017 0.000 0.983 335 T HN -0.287 nan 8.240 nan 0.000 0.455 336 P HA -0.077 nan 4.420 nan 0.000 0.220 336 P C 1.462 178.721 177.300 -0.069 0.000 1.148 336 P CA 0.986 64.055 63.100 -0.051 0.000 0.803 336 P CB 0.069 31.748 31.700 -0.035 0.000 0.782 337 Q N -0.846 118.913 119.800 -0.069 0.000 2.084 337 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 337 Q C 2.414 178.336 176.000 -0.130 0.000 0.978 337 Q CA 1.701 57.451 55.803 -0.088 0.000 0.844 337 Q CB -1.120 27.569 28.738 -0.081 0.000 0.898 337 Q HN 0.269 nan 8.270 nan 0.000 0.426 338 G N 0.547 109.269 108.800 -0.131 0.000 2.430 338 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.216 338 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.216 338 G C 1.273 176.058 174.900 -0.192 0.000 1.146 338 G CA 0.149 45.145 45.100 -0.173 0.000 0.793 338 G HN 0.225 nan 8.290 nan 0.000 0.537 339 Q N -0.041 119.674 119.800 -0.143 0.000 2.124 339 Q HA -0.033 4.307 4.340 -0.001 0.000 0.202 339 Q C 2.739 178.663 176.000 -0.125 0.000 0.977 339 Q CA 0.894 56.623 55.803 -0.124 0.000 0.850 339 Q CB -0.092 28.595 28.738 -0.085 0.000 0.901 339 Q HN 0.392 nan 8.270 nan 0.000 0.429 340 R N 0.083 120.502 120.500 -0.134 0.000 2.148 340 R HA -0.009 4.331 4.340 -0.001 0.000 0.223 340 R C 2.163 178.335 176.300 -0.213 0.000 1.088 340 R CA 0.680 56.700 56.100 -0.135 0.000 0.985 340 R CB -0.048 30.185 30.300 -0.112 0.000 0.880 340 R HN 0.232 nan 8.270 nan 0.000 0.451 341 L N 0.149 121.174 121.223 -0.330 0.000 2.240 341 L HA -0.085 4.255 4.340 -0.001 0.000 0.211 341 L C 2.118 178.587 176.870 -0.668 0.000 1.106 341 L CA 0.714 55.179 54.840 -0.625 0.000 0.793 341 L CB -0.171 41.384 42.059 -0.839 0.000 0.927 341 L HN 0.043 nan 8.230 nan 0.000 0.446 342 V N 0.085 119.791 119.914 -0.346 0.000 2.453 342 V HA -0.215 3.904 4.120 -0.001 0.000 0.247 342 V C 2.052 178.171 176.094 0.041 0.000 1.048 342 V CA 1.604 63.848 62.300 -0.094 0.000 1.049 342 V CB -0.644 31.090 31.823 -0.149 0.000 0.672 342 V HN 0.492 nan 8.190 nan 0.000 0.457 343 N N 0.188 118.898 118.700 0.018 0.000 2.244 343 N HA -0.162 4.577 4.740 -0.001 0.000 0.183 343 N C 1.827 177.404 175.510 0.111 0.000 1.016 343 N CA 1.105 54.260 53.050 0.175 0.000 0.866 343 N CB -0.400 38.177 38.487 0.151 0.000 0.980 343 N HN 0.508 nan 8.380 nan 0.000 0.430 344 Q N -0.298 119.469 119.800 -0.054 0.000 2.084 344 Q HA -0.062 4.278 4.340 -0.001 0.000 0.202 344 Q C 1.286 177.317 176.000 0.051 0.000 0.978 344 Q CA 1.351 57.100 55.803 -0.089 0.000 0.844 344 Q CB -0.171 28.425 28.738 -0.237 0.000 0.898 344 Q HN 0.376 nan 8.270 nan 0.000 0.426 345 W N -0.198 121.119 121.300 0.027 0.000 2.518 345 W HA 0.105 4.764 4.660 -0.002 0.000 0.273 345 W C 1.803 178.338 176.519 0.027 0.000 1.247 345 W CA 0.204 57.565 57.345 0.027 0.000 1.288 345 W CB -0.498 29.022 29.460 0.100 0.000 1.107 345 W HN 0.220 nan 8.180 nan 0.000 0.586 346 I N 0.330 121.064 120.570 0.273 0.000 2.353 346 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 346 I C 2.094 178.298 176.117 0.144 0.000 1.119 346 I CA 1.259 62.657 61.300 0.163 0.000 1.417 346 I CB -0.344 37.695 38.000 0.064 0.000 1.078 346 I HN -0.167 nan 8.210 nan 0.000 0.421 347 K N 0.411 120.919 120.400 0.180 0.000 2.217 347 K HA -0.047 4.272 4.320 -0.001 0.000 0.202 347 K C 0.367 176.949 176.600 -0.031 0.000 1.051 347 K CA 0.782 57.134 56.287 0.107 0.000 0.952 347 K CB 0.109 32.645 32.500 0.059 0.000 0.736 347 K HN 0.347 nan 8.250 nan 0.000 0.453 348 Q N 0.793 120.538 119.800 -0.091 0.000 2.700 348 Q HA 0.230 4.569 4.340 -0.001 0.000 0.249 348 Q C -2.647 173.318 176.000 -0.058 0.000 1.033 348 Q CA -2.074 53.538 55.803 -0.318 0.000 0.804 348 Q CB 1.538 29.741 28.738 -0.890 0.000 1.164 348 Q HN -0.045 nan 8.270 nan 0.000 0.500 349 P HA 0.045 nan 4.420 nan 0.000 0.276 349 P C -0.242 177.137 177.300 0.132 0.000 1.230 349 P CA -0.137 63.000 63.100 0.061 0.000 0.776 349 P CB 0.797 32.511 31.700 0.022 0.000 0.888 350 L N 2.779 124.033 121.223 0.052 0.000 2.482 350 L HA 0.106 4.445 4.340 -0.001 0.000 0.273 350 L C 1.652 178.504 176.870 -0.029 0.000 1.228 350 L CA 0.110 54.962 54.840 0.020 0.000 0.827 350 L CB 0.081 42.091 42.059 -0.083 0.000 1.099 350 L HN 0.421 nan 8.230 nan 0.000 0.494 351 M N -0.763 118.794 119.600 -0.072 0.000 2.724 351 M HA 0.148 4.627 4.480 -0.001 0.000 0.231 351 M C -0.206 176.039 176.300 -0.091 0.000 1.568 351 M CA 0.301 55.550 55.300 -0.085 0.000 1.153 351 M CB -0.192 32.345 32.600 -0.106 0.000 1.345 351 M HN 0.431 nan 8.290 nan 0.000 0.555 352 D N 2.971 123.310 120.400 -0.101 0.000 2.346 352 D HA 0.053 4.692 4.640 -0.001 0.000 0.260 352 D C 1.171 177.421 176.300 -0.082 0.000 1.252 352 D CA 0.148 54.096 54.000 -0.086 0.000 0.895 352 D CB 0.769 41.518 40.800 -0.084 0.000 1.097 352 D HN 0.333 nan 8.370 nan 0.000 0.489 353 K N 2.247 122.602 120.400 -0.074 0.000 2.127 353 K HA -0.276 4.043 4.320 -0.001 0.000 0.208 353 K C 0.852 177.409 176.600 -0.071 0.000 1.047 353 K CA 1.139 57.381 56.287 -0.074 0.000 0.927 353 K CB -0.105 32.356 32.500 -0.064 0.000 0.716 353 K HN 0.097 nan 8.250 nan 0.000 0.450 354 N N 0.523 119.187 118.700 -0.060 0.000 2.223 354 N HA -0.090 4.649 4.740 -0.001 0.000 0.185 354 N C 1.638 177.114 175.510 -0.056 0.000 1.016 354 N CA 0.989 54.008 53.050 -0.051 0.000 0.863 354 N CB -0.087 38.377 38.487 -0.039 0.000 0.983 354 N HN 0.254 nan 8.380 nan 0.000 0.429 355 R N 0.376 120.834 120.500 -0.072 0.000 2.127 355 R HA 0.217 4.556 4.340 -0.001 0.000 0.217 355 R C 2.116 178.346 176.300 -0.117 0.000 1.074 355 R CA 0.263 56.312 56.100 -0.085 0.000 0.991 355 R CB -0.379 29.864 30.300 -0.095 0.000 0.895 355 R HN 0.351 nan 8.270 nan 0.000 0.450 356 I N 0.628 121.126 120.570 -0.121 0.000 2.233 356 I HA -0.176 3.993 4.170 -0.001 0.000 0.243 356 I C 1.831 177.868 176.117 -0.133 0.000 1.093 356 I CA 1.301 62.513 61.300 -0.148 0.000 1.380 356 I CB -0.358 37.560 38.000 -0.138 0.000 1.067 356 I HN 0.103 nan 8.210 nan 0.000 0.413 357 E N 0.716 120.856 120.200 -0.101 0.000 2.208 357 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 357 E C 2.021 178.587 176.600 -0.057 0.000 0.988 357 E CA 0.706 57.056 56.400 -0.083 0.000 0.828 357 E CB -0.036 29.622 29.700 -0.069 0.000 0.763 357 E HN 0.486 nan 8.360 nan 0.000 0.478 358 E N 1.337 121.506 120.200 -0.051 0.000 2.051 358 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 358 E C 1.994 178.591 176.600 -0.005 0.000 0.991 358 E CA 0.905 57.295 56.400 -0.017 0.000 0.799 358 E CB 0.134 29.826 29.700 -0.014 0.000 0.748 358 E HN 0.092 nan 8.360 nan 0.000 0.449 359 R N -0.081 120.383 120.500 -0.061 0.000 2.148 359 R HA 0.000 4.340 4.340 -0.001 0.000 0.223 359 R C 2.418 178.699 176.300 -0.032 0.000 1.088 359 R CA 0.580 56.635 56.100 -0.076 0.000 0.985 359 R CB -0.028 30.122 30.300 -0.250 0.000 0.880 359 R HN 0.265 nan 8.270 nan 0.000 0.451 360 L N 0.531 121.731 121.223 -0.038 0.000 2.240 360 L HA -0.094 4.245 4.340 -0.001 0.000 0.211 360 L C 1.276 178.214 176.870 0.113 0.000 1.106 360 L CA 0.731 55.586 54.840 0.025 0.000 0.793 360 L CB -0.196 41.812 42.059 -0.085 0.000 0.927 360 L HN 0.178 nan 8.230 nan 0.000 0.446 361 N N -0.054 118.686 118.700 0.067 0.000 2.396 361 N HA -0.067 4.672 4.740 -0.001 0.000 0.180 361 N C 1.817 177.388 175.510 0.103 0.000 1.028 361 N CA 0.917 54.017 53.050 0.085 0.000 0.893 361 N CB -0.087 38.429 38.487 0.048 0.000 0.967 361 N HN 0.301 nan 8.380 nan 0.000 0.440 362 L N -0.273 121.014 121.223 0.106 0.000 2.179 362 L HA 0.005 4.345 4.340 -0.001 0.000 0.208 362 L C 1.860 178.857 176.870 0.211 0.000 1.096 362 L CA 0.495 55.397 54.840 0.104 0.000 0.779 362 L CB -0.236 41.880 42.059 0.095 0.000 0.922 362 L HN -0.034 nan 8.230 nan 0.000 0.443 363 V N -0.300 119.746 119.914 0.221 0.000 2.488 363 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 363 V C 2.248 178.446 176.094 0.173 0.000 1.046 363 V CA 1.384 63.821 62.300 0.229 0.000 1.053 363 V CB -0.473 31.487 31.823 0.228 0.000 0.679 363 V HN 0.421 nan 8.190 nan 0.000 0.458 364 E N 0.909 121.243 120.200 0.224 0.000 2.160 364 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 364 E C 2.208 178.837 176.600 0.047 0.000 0.991 364 E CA 1.288 57.793 56.400 0.174 0.000 0.810 364 E CB -0.308 29.529 29.700 0.229 0.000 0.742 364 E HN 0.612 nan 8.360 nan 0.000 0.466 365 A N -0.103 122.724 122.820 0.012 0.000 2.172 365 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 365 A C 1.430 178.764 177.584 -0.415 0.000 1.154 365 A CA 0.898 52.818 52.037 -0.196 0.000 0.701 365 A CB -0.230 18.591 19.000 -0.298 0.000 0.789 365 A HN 0.184 nan 8.150 nan 0.000 0.465 366 F N -2.507 117.409 119.950 -0.057 0.000 2.712 366 F HA 0.122 4.648 4.527 -0.001 0.000 0.297 366 F C 2.008 177.746 175.800 -0.102 0.000 1.114 366 F CA 0.274 58.230 58.000 -0.072 0.000 1.305 366 F CB 0.187 39.145 39.000 -0.070 0.000 1.086 366 F HN -0.026 nan 8.300 nan 0.000 0.599 367 V N 0.304 120.220 119.914 0.004 0.000 2.270 367 V HA -0.226 3.893 4.120 -0.001 0.000 0.245 367 V C 1.815 177.865 176.094 -0.073 0.000 1.043 367 V CA 2.013 64.246 62.300 -0.112 0.000 1.014 367 V CB -0.435 31.206 31.823 -0.303 0.000 0.645 367 V HN 0.275 nan 8.190 nan 0.000 0.447 368 E N -0.715 119.441 120.200 -0.074 0.000 2.478 368 E HA -0.105 4.244 4.350 -0.001 0.000 0.194 368 E C 1.666 178.216 176.600 -0.084 0.000 1.045 368 E CA 0.369 56.720 56.400 -0.082 0.000 0.868 368 E CB 0.080 29.706 29.700 -0.122 0.000 0.885 368 E HN 0.566 nan 8.360 nan 0.000 0.505 369 D N 0.051 120.405 120.400 -0.077 0.000 2.202 369 D HA -0.058 4.581 4.640 -0.001 0.000 0.214 369 D C 1.565 177.847 176.300 -0.030 0.000 0.967 369 D CA 1.475 55.433 54.000 -0.069 0.000 0.871 369 D CB 0.359 41.091 40.800 -0.113 0.000 1.020 369 D HN 0.020 nan 8.370 nan 0.000 0.474 370 A N 0.622 123.442 122.820 0.000 0.000 2.617 370 A HA -0.359 3.960 4.320 -0.001 0.000 0.236 370 A C 1.615 179.219 177.584 0.033 0.000 0.514 370 A CA 2.117 54.167 52.037 0.022 0.000 1.126 370 A CB -2.025 16.976 19.000 0.002 0.000 1.393 370 A HN 0.493 nan 8.150 nan 0.000 0.693 371 E N -0.258 119.950 120.200 0.013 0.000 2.274 371 E HA 0.029 4.378 4.350 -0.001 0.000 0.194 371 E C 1.784 178.401 176.600 0.029 0.000 0.996 371 E CA 1.049 57.457 56.400 0.013 0.000 0.840 371 E CB -0.175 29.523 29.700 -0.004 0.000 0.772 371 E HN 0.807 nan 8.360 nan 0.000 0.491 372 L N 0.321 121.570 121.223 0.043 0.000 2.179 372 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 372 L C 2.430 179.429 176.870 0.215 0.000 1.096 372 L CA 0.780 55.680 54.840 0.100 0.000 0.779 372 L CB -0.168 41.890 42.059 -0.002 0.000 0.922 372 L HN 0.044 nan 8.230 nan 0.000 0.443 373 R N -0.278 120.347 120.500 0.208 0.000 2.073 373 R HA -0.130 4.209 4.340 -0.001 0.000 0.229 373 R C 2.275 178.608 176.300 0.054 0.000 1.120 373 R CA 1.144 57.323 56.100 0.132 0.000 0.967 373 R CB -0.263 30.105 30.300 0.113 0.000 0.862 373 R HN 0.442 nan 8.270 nan 0.000 0.436 374 Q N -0.037 119.792 119.800 0.049 0.000 2.084 374 Q HA -0.133 4.206 4.340 -0.001 0.000 0.202 374 Q C 2.136 178.145 176.000 0.014 0.000 0.978 374 Q CA 2.087 57.903 55.803 0.023 0.000 0.844 374 Q CB -0.195 28.555 28.738 0.020 0.000 0.898 374 Q HN 0.474 nan 8.270 nan 0.000 0.426 375 T N -1.366 113.204 114.554 0.027 0.000 2.995 375 T HA -0.016 4.333 4.350 -0.001 0.000 0.269 375 T C 1.742 176.458 174.700 0.028 0.000 1.091 375 T CA 0.638 62.751 62.100 0.022 0.000 1.128 375 T CB -0.027 68.855 68.868 0.023 0.000 0.891 375 T HN 0.094 nan 8.240 nan 0.000 0.492 376 L N -0.152 121.094 121.223 0.038 0.000 2.276 376 L HA 0.195 4.534 4.340 -0.001 0.000 0.194 376 L C 3.069 179.934 176.870 -0.009 0.000 1.099 376 L CA 0.602 55.462 54.840 0.034 0.000 0.800 376 L CB -0.596 41.492 42.059 0.049 0.000 0.994 376 L HN 0.188 nan 8.230 nan 0.000 0.475 377 Q N 1.075 120.845 119.800 -0.049 0.000 1.985 377 Q HA -0.271 4.069 4.340 -0.001 0.000 0.207 377 Q C 1.693 177.637 176.000 -0.092 0.000 0.996 377 Q CA 2.532 58.272 55.803 -0.104 0.000 0.851 377 Q CB -0.040 28.593 28.738 -0.175 0.000 0.921 377 Q HN 0.601 nan 8.270 nan 0.000 0.418 378 E N -1.365 118.790 120.200 -0.076 0.000 2.489 378 E HA -0.049 4.300 4.350 -0.001 0.000 0.193 378 E C 0.253 176.828 176.600 -0.042 0.000 1.057 378 E CA 0.619 56.982 56.400 -0.063 0.000 0.866 378 E CB 0.420 30.088 29.700 -0.052 0.000 0.916 378 E HN 0.344 nan 8.360 nan 0.000 0.500 379 D N 0.204 120.584 120.400 -0.033 0.000 3.165 379 D HA 0.154 4.793 4.640 -0.001 0.000 0.264 379 D C 1.882 178.162 176.300 -0.034 0.000 1.363 379 D CA 0.160 54.142 54.000 -0.030 0.000 1.166 379 D CB -0.035 40.753 40.800 -0.019 0.000 1.291 379 D HN 0.107 nan 8.370 nan 0.000 0.390 380 L N 0.786 122.003 121.223 -0.011 0.000 2.121 380 L HA 0.134 4.473 4.340 -0.001 0.000 0.200 380 L C 2.536 179.429 176.870 0.038 0.000 1.077 380 L CA 0.389 55.228 54.840 -0.001 0.000 0.766 380 L CB -0.320 41.774 42.059 0.058 0.000 0.931 380 L HN -0.072 nan 8.230 nan 0.000 0.452 381 L N 0.486 121.777 121.223 0.114 0.000 2.089 381 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 381 L C 2.781 179.734 176.870 0.138 0.000 1.079 381 L CA 1.657 56.614 54.840 0.195 0.000 0.758 381 L CB -0.739 41.357 42.059 0.063 0.000 0.891 381 L HN 0.413 nan 8.230 nan 0.000 0.433 382 R N 0.530 121.041 120.500 0.018 0.000 2.241 382 R HA -0.148 4.191 4.340 -0.001 0.000 0.224 382 R C 1.802 178.072 176.300 -0.049 0.000 1.101 382 R CA 1.083 57.172 56.100 -0.018 0.000 0.995 382 R CB -0.417 29.857 30.300 -0.043 0.000 0.870 382 R HN 0.359 nan 8.270 nan 0.000 0.463 383 R N -0.024 120.399 120.500 -0.128 0.000 2.317 383 R HA 0.156 4.496 4.340 -0.001 0.000 0.208 383 R C -0.551 175.526 176.300 -0.371 0.000 0.914 383 R CA -0.063 55.877 56.100 -0.265 0.000 1.060 383 R CB 0.228 30.312 30.300 -0.360 0.000 1.015 383 R HN 0.090 nan 8.270 nan 0.000 0.498 384 F N 2.992 122.900 119.950 -0.070 0.000 2.371 384 F HA 0.295 4.821 4.527 -0.001 0.000 0.363 384 F C -1.651 174.109 175.800 -0.066 0.000 1.122 384 F CA -2.952 55.002 58.000 -0.076 0.000 1.129 384 F CB 0.796 39.751 39.000 -0.074 0.000 1.173 384 F HN -0.129 nan 8.300 nan 0.000 0.489 385 P HA 0.042 nan 4.420 nan 0.000 0.276 385 P C -0.654 176.674 177.300 0.045 0.000 1.244 385 P CA -0.474 62.651 63.100 0.042 0.000 0.801 385 P CB 0.882 32.590 31.700 0.014 0.000 1.006 386 D N 1.007 121.419 120.400 0.020 0.000 2.412 386 D HA -0.015 4.625 4.640 -0.001 0.000 0.257 386 D C 1.136 177.443 176.300 0.011 0.000 1.217 386 D CA 0.271 54.274 54.000 0.006 0.000 0.897 386 D CB 0.164 40.961 40.800 -0.005 0.000 1.132 386 D HN 0.216 nan 8.370 nan 0.000 0.493 387 L N 3.522 124.749 121.223 0.007 0.000 2.291 387 L HA -0.081 4.259 4.340 -0.001 0.000 0.214 387 L C 1.597 178.483 176.870 0.026 0.000 1.120 387 L CA 0.360 55.208 54.840 0.014 0.000 0.799 387 L CB -0.250 41.804 42.059 -0.008 0.000 0.925 387 L HN 0.318 nan 8.230 nan 0.000 0.446 388 N N 0.194 118.900 118.700 0.011 0.000 2.494 388 N HA -0.054 4.685 4.740 -0.001 0.000 0.182 388 N C 1.775 177.292 175.510 0.012 0.000 1.076 388 N CA 0.598 53.656 53.050 0.013 0.000 0.908 388 N CB -0.011 38.478 38.487 0.003 0.000 0.967 388 N HN 0.272 nan 8.380 nan 0.000 0.449 389 R N -0.051 120.453 120.500 0.006 0.000 2.090 389 R HA 0.126 4.465 4.340 -0.001 0.000 0.228 389 R C 1.785 178.071 176.300 -0.023 0.000 1.110 389 R CA 0.701 56.796 56.100 -0.009 0.000 0.973 389 R CB -0.127 30.165 30.300 -0.013 0.000 0.869 389 R HN 0.201 nan 8.270 nan 0.000 0.440 390 L N -0.157 121.075 121.223 0.015 0.000 2.068 390 L HA 0.006 4.346 4.340 -0.001 0.000 0.204 390 L C 2.699 179.667 176.870 0.163 0.000 1.076 390 L CA 0.937 55.803 54.840 0.042 0.000 0.753 390 L CB -0.659 41.531 42.059 0.219 0.000 0.910 390 L HN 0.169 nan 8.230 nan 0.000 0.439 391 A N 0.622 123.546 122.820 0.172 0.000 1.903 391 A HA -0.274 4.045 4.320 -0.001 0.000 0.219 391 A C 2.347 179.986 177.584 0.092 0.000 1.191 391 A CA 2.114 54.245 52.037 0.157 0.000 0.638 391 A CB -0.472 18.572 19.000 0.072 0.000 0.823 391 A HN 0.352 nan 8.150 nan 0.000 0.451 392 K N -0.570 119.845 120.400 0.025 0.000 2.097 392 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 392 K C 2.013 178.583 176.600 -0.050 0.000 1.050 392 K CA 1.481 57.756 56.287 -0.021 0.000 0.938 392 K CB -0.145 32.344 32.500 -0.018 0.000 0.718 392 K HN 0.443 nan 8.250 nan 0.000 0.442 393 K N -0.226 120.119 120.400 -0.091 0.000 2.217 393 K HA -0.036 4.283 4.320 -0.001 0.000 0.202 393 K C 1.742 178.214 176.600 -0.214 0.000 1.051 393 K CA 0.909 57.085 56.287 -0.186 0.000 0.952 393 K CB 0.019 32.352 32.500 -0.278 0.000 0.736 393 K HN 0.024 nan 8.250 nan 0.000 0.453 394 F N 1.255 121.190 119.950 -0.024 0.000 2.293 394 F HA -0.037 4.489 4.527 -0.001 0.000 0.297 394 F C 2.562 178.345 175.800 -0.029 0.000 1.089 394 F CA 0.918 58.911 58.000 -0.012 0.000 1.377 394 F CB -0.117 38.886 39.000 0.003 0.000 1.051 394 F HN 0.037 nan 8.300 nan 0.000 0.511 395 Q N 0.554 120.420 119.800 0.110 0.000 2.245 395 Q HA -0.097 4.242 4.340 -0.001 0.000 0.201 395 Q C 2.434 178.400 176.000 -0.056 0.000 0.955 395 Q CA 1.253 57.061 55.803 0.007 0.000 0.870 395 Q CB 0.081 28.788 28.738 -0.052 0.000 0.945 395 Q HN 0.353 nan 8.270 nan 0.000 0.461 396 R N 0.177 120.635 120.500 -0.070 0.000 2.299 396 R HA 0.078 4.418 4.340 -0.001 0.000 0.197 396 R C 1.419 177.689 176.300 -0.049 0.000 0.971 396 R CA 1.550 57.595 56.100 -0.092 0.000 1.030 396 R CB -1.517 28.725 30.300 -0.096 0.000 0.932 396 R HN 0.560 nan 8.270 nan 0.000 0.477 397 Q N -2.391 117.399 119.800 -0.016 0.000 2.494 397 Q HA -0.058 4.281 4.340 -0.001 0.000 0.272 397 Q C 0.802 176.794 176.000 -0.014 0.000 1.145 397 Q CA 1.784 57.593 55.803 0.010 0.000 0.943 397 Q CB -2.961 25.786 28.738 0.014 0.000 1.338 397 Q HN 2.138 nan 8.270 nan 0.000 0.492 398 A N -1.553 121.238 122.820 -0.049 0.000 2.855 398 A HA 0.815 5.135 4.320 -0.001 0.000 0.301 398 A C 0.729 178.249 177.584 -0.106 0.000 1.076 398 A CA 0.983 52.985 52.037 -0.058 0.000 1.004 398 A CB -0.200 18.771 19.000 -0.049 0.000 1.152 398 A HN 2.159 nan 8.150 nan 0.000 0.531 399 A N 0.247 122.982 122.820 -0.141 0.000 2.264 399 A HA 0.720 5.040 4.320 -0.001 0.000 0.304 399 A C 0.081 177.588 177.584 -0.129 0.000 1.100 399 A CA -0.523 51.364 52.037 -0.249 0.000 0.839 399 A CB 0.521 19.203 19.000 -0.531 0.000 1.121 399 A HN 0.450 nan 8.150 nan 0.000 0.496 400 N N -1.178 117.437 118.700 -0.143 0.000 2.619 400 N HA 0.381 5.121 4.740 -0.001 0.000 0.294 400 N C 0.362 175.828 175.510 -0.072 0.000 1.279 400 N CA -0.696 52.306 53.050 -0.080 0.000 0.867 400 N CB 1.225 39.663 38.487 -0.082 0.000 1.329 400 N HN 0.356 nan 8.380 nan 0.000 0.557 401 L N 1.030 122.207 121.223 -0.077 0.000 2.395 401 L HA 0.138 4.477 4.340 -0.001 0.000 0.218 401 L C 1.996 178.673 176.870 -0.321 0.000 1.130 401 L CA 1.473 56.252 54.840 -0.102 0.000 0.826 401 L CB -0.639 41.397 42.059 -0.039 0.000 0.941 401 L HN 0.710 nan 8.230 nan 0.000 0.451 402 Q N -0.699 118.793 119.800 -0.513 0.000 2.119 402 Q HA -0.206 4.133 4.340 -0.001 0.000 0.201 402 Q C 1.229 177.048 176.000 -0.303 0.000 0.972 402 Q CA 1.784 57.096 55.803 -0.817 0.000 0.847 402 Q CB 0.075 28.457 28.738 -0.594 0.000 0.903 402 Q HN 0.485 nan 8.270 nan 0.000 0.433 403 D N -0.328 119.979 120.400 -0.155 0.000 2.310 403 D HA -0.110 4.529 4.640 -0.001 0.000 0.212 403 D C 1.666 178.078 176.300 0.186 0.000 0.965 403 D CA 0.702 54.681 54.000 -0.036 0.000 0.879 403 D CB -0.206 40.473 40.800 -0.201 0.000 0.921 403 D HN 0.325 nan 8.370 nan 0.000 0.510 404 C N -0.385 119.033 119.300 0.196 0.000 2.486 404 C HA -0.060 4.399 4.460 -0.001 0.000 0.279 404 C C 2.420 177.561 174.990 0.251 0.000 1.302 404 C CA -0.222 58.987 59.018 0.319 0.000 1.720 404 C CB -1.069 26.796 27.740 0.209 0.000 2.030 404 C HN 0.338 nan 8.230 nan 0.000 0.490 405 Y N 1.750 122.048 120.300 -0.003 0.000 2.373 405 Y HA -0.045 4.504 4.550 -0.001 0.000 0.293 405 Y C 2.772 178.733 175.900 0.102 0.000 1.129 405 Y CA 1.443 59.567 58.100 0.039 0.000 1.226 405 Y CB -0.469 37.977 38.460 -0.024 0.000 1.000 405 Y HN 0.172 nan 8.280 nan 0.000 0.549 406 R N -0.259 120.294 120.500 0.088 0.000 2.075 406 R HA -0.156 4.183 4.340 -0.001 0.000 0.232 406 R C 2.067 178.363 176.300 -0.008 0.000 1.126 406 R CA 1.609 57.722 56.100 0.022 0.000 0.963 406 R CB -0.502 29.819 30.300 0.035 0.000 0.858 406 R HN 0.448 nan 8.270 nan 0.000 0.435 407 L N 0.165 121.432 121.223 0.074 0.000 2.156 407 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 407 L C 1.922 178.810 176.870 0.031 0.000 1.095 407 L CA 1.596 56.466 54.840 0.050 0.000 0.770 407 L CB -0.721 41.403 42.059 0.109 0.000 0.914 407 L HN 0.212 nan 8.230 nan 0.000 0.439 408 Y N -0.053 120.226 120.300 -0.035 0.000 2.224 408 Y HA -0.268 4.281 4.550 -0.001 0.000 0.289 408 Y C 2.540 178.298 175.900 -0.236 0.000 1.146 408 Y CA 1.930 59.969 58.100 -0.101 0.000 1.182 408 Y CB -0.013 38.336 38.460 -0.185 0.000 0.983 408 Y HN 0.344 nan 8.280 nan 0.000 0.524 409 Q N -0.594 119.002 119.800 -0.340 0.000 2.124 409 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 409 Q C 2.464 178.223 176.000 -0.402 0.000 0.977 409 Q CA 1.285 56.845 55.803 -0.405 0.000 0.850 409 Q CB -0.495 28.040 28.738 -0.338 0.000 0.901 409 Q HN 0.668 nan 8.270 nan 0.000 0.429 410 G N 0.888 109.493 108.800 -0.325 0.000 2.402 410 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 410 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 410 G C 1.396 176.188 174.900 -0.181 0.000 1.162 410 G CA 0.467 45.377 45.100 -0.316 0.000 0.777 410 G HN 0.225 nan 8.290 nan 0.000 0.539 411 I N 0.780 121.203 120.570 -0.244 0.000 2.439 411 I HA -0.104 4.065 4.170 -0.001 0.000 0.251 411 I C 2.496 178.438 176.117 -0.293 0.000 1.139 411 I CA 0.849 62.002 61.300 -0.245 0.000 1.438 411 I CB -0.159 37.676 38.000 -0.276 0.000 1.085 411 I HN 0.115 nan 8.210 nan 0.000 0.427 412 N N 1.135 119.532 118.700 -0.504 0.000 2.244 412 N HA -0.170 4.569 4.740 -0.001 0.000 0.183 412 N C 1.556 176.906 175.510 -0.267 0.000 1.016 412 N CA 1.374 54.130 53.050 -0.490 0.000 0.866 412 N CB 0.078 38.160 38.487 -0.675 0.000 0.980 412 N HN 0.380 nan 8.380 nan 0.000 0.430 413 Q N -0.558 119.083 119.800 -0.265 0.000 2.220 413 Q HA 0.103 4.442 4.340 -0.001 0.000 0.205 413 Q C 1.005 176.968 176.000 -0.063 0.000 0.865 413 Q CA -0.250 55.434 55.803 -0.198 0.000 0.960 413 Q CB 0.476 29.032 28.738 -0.304 0.000 1.097 413 Q HN 0.249 nan 8.270 nan 0.000 0.493 414 L N 2.367 123.595 121.223 0.008 0.000 2.072 414 L HA -0.022 4.317 4.340 -0.001 0.000 0.205 414 L C -0.904 176.022 176.870 0.092 0.000 1.079 414 L CA 1.724 56.657 54.840 0.154 0.000 0.752 414 L CB -0.662 41.466 42.059 0.115 0.000 0.906 414 L HN 0.068 nan 8.230 nan 0.000 0.436 415 P HA -0.097 nan 4.420 nan 0.000 0.229 415 P C 0.885 178.202 177.300 0.028 0.000 1.160 415 P CA 0.934 64.054 63.100 0.034 0.000 0.777 415 P CB -0.153 31.557 31.700 0.018 0.000 0.814 416 N N 0.192 118.902 118.700 0.016 0.000 2.396 416 N HA -0.075 4.665 4.740 -0.001 0.000 0.180 416 N C 1.561 177.091 175.510 0.034 0.000 1.028 416 N CA 0.616 53.671 53.050 0.008 0.000 0.893 416 N CB -0.770 37.703 38.487 -0.023 0.000 0.967 416 N HN -0.117 nan 8.380 nan 0.000 0.440 417 V N 1.652 121.612 119.914 0.077 0.000 2.323 417 V HA -0.143 3.976 4.120 -0.001 0.000 0.244 417 V C 2.179 178.315 176.094 0.070 0.000 1.041 417 V CA 1.482 63.845 62.300 0.106 0.000 1.025 417 V CB -0.597 31.340 31.823 0.190 0.000 0.656 417 V HN 0.470 nan 8.190 nan 0.000 0.451 418 I N -1.767 118.841 120.570 0.063 0.000 2.756 418 I HA -0.146 4.023 4.170 -0.001 0.000 0.262 418 I C 2.288 178.414 176.117 0.016 0.000 1.225 418 I CA 1.247 62.574 61.300 0.045 0.000 1.472 418 I CB -0.492 37.541 38.000 0.054 0.000 1.094 418 I HN 0.227 nan 8.210 nan 0.000 0.454 419 Q N 1.885 121.693 119.800 0.014 0.000 2.119 419 Q HA -0.030 4.309 4.340 -0.001 0.000 0.201 419 Q C 2.488 178.473 176.000 -0.024 0.000 0.972 419 Q CA 1.916 57.718 55.803 -0.002 0.000 0.847 419 Q CB -0.189 28.550 28.738 0.002 0.000 0.903 419 Q HN 0.731 nan 8.270 nan 0.000 0.433 420 A N 0.356 123.164 122.820 -0.021 0.000 2.016 420 A HA -0.004 4.315 4.320 -0.001 0.000 0.217 420 A C 2.160 179.678 177.584 -0.110 0.000 1.162 420 A CA 0.459 52.469 52.037 -0.044 0.000 0.662 420 A CB -0.393 18.602 19.000 -0.008 0.000 0.812 420 A HN 0.265 nan 8.150 nan 0.000 0.450 421 L N -0.509 120.656 121.223 -0.096 0.000 2.156 421 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 421 L C 1.356 178.015 176.870 -0.353 0.000 1.095 421 L CA 0.908 55.640 54.840 -0.179 0.000 0.770 421 L CB -0.334 41.704 42.059 -0.034 0.000 0.914 421 L HN 0.396 nan 8.230 nan 0.000 0.439 422 E N 0.045 120.135 120.200 -0.184 0.000 2.303 422 E HA -0.003 4.346 4.350 -0.001 0.000 0.211 422 E C 0.740 177.273 176.600 -0.113 0.000 1.223 422 E CA -0.039 56.294 56.400 -0.112 0.000 1.344 422 E CB 0.305 30.003 29.700 -0.003 0.000 1.299 422 E HN 0.422 nan 8.360 nan 0.000 0.441 423 K N -1.001 119.232 120.400 -0.279 0.000 2.494 423 K HA 0.107 4.426 4.320 -0.001 0.000 0.201 423 K C 0.441 177.019 176.600 -0.037 0.000 1.338 423 K CA -0.240 55.979 56.287 -0.112 0.000 0.935 423 K CB 0.528 32.974 32.500 -0.091 0.000 1.514 423 K HN 0.087 nan 8.250 nan 0.000 0.490 424 H N 0.613 119.655 119.070 -0.047 0.000 1.452 424 H HA -0.244 4.311 4.556 -0.001 0.000 0.090 424 H C 0.192 175.490 175.328 -0.051 0.000 0.973 424 H CA 1.891 57.898 56.048 -0.068 0.000 1.901 424 H CB -0.667 29.064 29.762 -0.053 0.000 2.257 424 H HN 0.286 nan 8.280 nan 0.000 0.961 425 E N 0.826 121.109 120.200 0.139 0.000 2.743 425 E HA 0.334 4.683 4.350 -0.001 0.000 0.222 425 E C 0.656 177.290 176.600 0.057 0.000 0.959 425 E CA 0.621 57.054 56.400 0.056 0.000 1.198 425 E CB 1.723 31.432 29.700 0.015 0.000 1.100 425 E HN 0.811 nan 8.360 nan 0.000 0.518 426 G N 1.001 109.848 108.800 0.078 0.000 2.215 426 G HA2 0.030 3.990 3.960 -0.001 0.000 0.187 426 G HA3 0.030 3.990 3.960 -0.001 0.000 0.187 426 G C 0.106 175.005 174.900 -0.002 0.000 1.039 426 G CA -0.093 45.032 45.100 0.042 0.000 0.771 426 G HN 0.367 nan 8.290 nan 0.000 0.507 427 K N -0.204 120.160 120.400 -0.061 0.000 5.910 427 K HA -0.183 4.136 4.320 -0.001 0.000 0.496 427 K C 0.764 177.288 176.600 -0.126 0.000 1.222 427 K CA 1.966 58.096 56.287 -0.262 0.000 1.422 427 K CB -2.564 29.797 32.500 -0.231 0.000 1.780 427 K HN 1.406 nan 8.250 nan 0.000 0.384 428 H N 0.459 119.421 119.070 -0.179 0.000 2.316 428 H HA 0.149 4.705 4.556 -0.001 0.000 0.314 428 H C 0.767 176.031 175.328 -0.106 0.000 1.057 428 H CA 1.727 57.711 56.048 -0.106 0.000 1.402 428 H CB 0.771 30.491 29.762 -0.069 0.000 1.443 428 H HN 0.784 nan 8.280 nan 0.000 0.559 429 Q N 1.221 120.988 119.800 -0.055 0.000 2.773 429 Q HA 0.117 4.457 4.340 -0.001 0.000 0.373 429 Q C 0.586 176.531 176.000 -0.093 0.000 0.940 429 Q CA -0.178 55.572 55.803 -0.088 0.000 1.015 429 Q CB 1.256 30.007 28.738 0.021 0.000 1.349 429 Q HN 0.271 nan 8.270 nan 0.000 0.413 430 K N 0.843 121.146 120.400 -0.161 0.000 2.418 430 K HA 0.033 4.353 4.320 -0.001 0.000 0.195 430 K C 1.347 177.915 176.600 -0.053 0.000 1.035 430 K CA 0.313 56.507 56.287 -0.155 0.000 1.003 430 K CB 0.304 32.644 32.500 -0.267 0.000 0.793 430 K HN 0.424 nan 8.250 nan 0.000 0.494 431 L N 0.607 121.799 121.223 -0.051 0.000 2.013 431 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 431 L C 1.815 178.698 176.870 0.021 0.000 1.073 431 L CA 1.342 56.170 54.840 -0.020 0.000 0.753 431 L CB -0.291 41.749 42.059 -0.033 0.000 0.890 431 L HN 0.210 nan 8.230 nan 0.000 0.432 432 L N -0.386 120.860 121.223 0.039 0.000 2.653 432 L HA 0.076 4.416 4.340 -0.001 0.000 0.231 432 L C 1.235 178.205 176.870 0.166 0.000 1.153 432 L CA -0.175 54.720 54.840 0.093 0.000 0.933 432 L CB 0.189 42.302 42.059 0.089 0.000 1.175 432 L HN 0.263 nan 8.230 nan 0.000 0.473 433 L N -0.019 121.283 121.223 0.132 0.000 2.685 433 L HA 0.213 4.552 4.340 -0.001 0.000 0.233 433 L C 1.751 178.752 176.870 0.218 0.000 1.173 433 L CA -0.080 54.877 54.840 0.196 0.000 0.961 433 L CB 0.052 42.187 42.059 0.127 0.000 1.217 433 L HN 0.178 nan 8.230 nan 0.000 0.478 434 A N -0.673 122.249 122.820 0.170 0.000 2.379 434 A HA 0.248 4.567 4.320 -0.001 0.000 0.236 434 A C 1.369 179.022 177.584 0.115 0.000 1.272 434 A CA 0.177 52.288 52.037 0.123 0.000 0.886 434 A CB 0.074 19.119 19.000 0.076 0.000 0.962 434 A HN 0.204 nan 8.150 nan 0.000 0.504 435 V N -2.082 117.935 119.914 0.172 0.000 3.477 435 V HA 0.222 4.341 4.120 -0.001 0.000 0.297 435 V C 1.135 177.151 176.094 -0.129 0.000 1.433 435 V CA 0.562 62.882 62.300 0.033 0.000 1.052 435 V CB -0.709 31.129 31.823 0.026 0.000 0.895 435 V HN 0.564 nan 8.190 nan 0.000 0.438 436 F N -1.371 118.621 119.950 0.070 0.000 2.531 436 F HA 0.190 4.716 4.527 -0.001 0.000 0.273 436 F C 1.945 177.783 175.800 0.062 0.000 0.960 436 F CA 0.649 58.693 58.000 0.074 0.000 1.207 436 F CB 0.263 39.327 39.000 0.107 0.000 1.012 436 F HN -0.149 nan 8.300 nan 0.000 0.738 437 V N 0.265 120.336 119.914 0.262 0.000 2.283 437 V HA -0.223 3.896 4.120 -0.001 0.000 0.243 437 V C 2.569 178.728 176.094 0.108 0.000 1.039 437 V CA 2.484 64.883 62.300 0.164 0.000 1.016 437 V CB -1.231 30.683 31.823 0.152 0.000 0.650 437 V HN 0.534 nan 8.190 nan 0.000 0.449 438 T N -0.983 113.627 114.554 0.093 0.000 2.746 438 T HA -0.103 4.246 4.350 -0.001 0.000 0.267 438 T C -0.140 174.587 174.700 0.044 0.000 1.039 438 T CA 1.622 63.759 62.100 0.061 0.000 1.142 438 T CB -1.739 67.159 68.868 0.051 0.000 0.866 438 T HN 0.432 nan 8.240 nan 0.000 0.444 439 P HA 0.165 nan 4.420 nan 0.000 0.216 439 P C 1.735 179.052 177.300 0.030 0.000 1.153 439 P CA 0.587 63.695 63.100 0.013 0.000 0.844 439 P CB -0.249 31.436 31.700 -0.025 0.000 0.787 440 L N -1.327 119.921 121.223 0.040 0.000 2.191 440 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 440 L C 2.434 179.344 176.870 0.066 0.000 1.103 440 L CA 1.635 56.507 54.840 0.052 0.000 0.769 440 L CB -1.123 40.971 42.059 0.058 0.000 0.908 440 L HN 0.088 nan 8.230 nan 0.000 0.438 441 T N -1.679 112.912 114.554 0.062 0.000 3.067 441 T HA -0.090 4.259 4.350 -0.001 0.000 0.261 441 T C 1.313 176.046 174.700 0.056 0.000 1.110 441 T CA 0.819 62.955 62.100 0.060 0.000 1.113 441 T CB -0.014 68.887 68.868 0.055 0.000 0.917 441 T HN 0.227 nan 8.240 nan 0.000 0.499 442 D N 0.621 121.051 120.400 0.050 0.000 2.240 442 D HA 0.169 4.808 4.640 -0.001 0.000 0.206 442 D C 1.941 178.270 176.300 0.047 0.000 0.963 442 D CA 0.486 54.509 54.000 0.039 0.000 0.863 442 D CB -0.052 40.762 40.800 0.024 0.000 0.973 442 D HN 0.379 nan 8.370 nan 0.000 0.501 443 L N 0.377 121.645 121.223 0.074 0.000 2.291 443 L HA -0.025 4.314 4.340 -0.001 0.000 0.214 443 L C 2.313 179.315 176.870 0.220 0.000 1.120 443 L CA 0.361 55.282 54.840 0.135 0.000 0.799 443 L CB -0.052 42.110 42.059 0.172 0.000 0.925 443 L HN -0.078 nan 8.230 nan 0.000 0.446 444 R N 0.960 121.551 120.500 0.152 0.000 2.081 444 R HA -0.142 4.198 4.340 -0.001 0.000 0.235 444 R C 2.317 178.699 176.300 0.137 0.000 1.131 444 R CA 2.085 58.273 56.100 0.146 0.000 0.960 444 R CB -0.623 29.733 30.300 0.093 0.000 0.856 444 R HN 0.387 nan 8.270 nan 0.000 0.436 445 S N -0.812 114.944 115.700 0.093 0.000 2.527 445 S HA 0.040 4.509 4.470 -0.001 0.000 0.222 445 S C 1.005 175.635 174.600 0.051 0.000 0.985 445 S CA 0.522 58.764 58.200 0.070 0.000 0.921 445 S CB 0.065 63.293 63.200 0.047 0.000 0.772 445 S HN 0.254 nan 8.310 nan 0.000 0.529 446 D N 1.259 121.670 120.400 0.017 0.000 2.162 446 D HA 0.105 4.744 4.640 -0.001 0.000 0.203 446 D C 0.306 176.498 176.300 -0.179 0.000 0.967 446 D CA 0.789 54.715 54.000 -0.124 0.000 0.840 446 D CB -0.236 40.399 40.800 -0.274 0.000 0.972 446 D HN 0.517 nan 8.370 nan 0.000 0.482 447 F N 0.608 120.605 119.950 0.078 0.000 2.730 447 F HA 0.131 4.658 4.527 -0.001 0.000 0.295 447 F C 1.947 177.796 175.800 0.082 0.000 1.143 447 F CA -0.341 57.674 58.000 0.025 0.000 1.367 447 F CB -0.023 38.955 39.000 -0.037 0.000 0.970 447 F HN -0.152 nan 8.300 nan 0.000 0.514 448 S N -0.517 115.301 115.700 0.198 0.000 2.395 448 S HA -0.108 4.361 4.470 -0.001 0.000 0.225 448 S C 1.859 176.546 174.600 0.146 0.000 1.027 448 S CA 0.637 58.929 58.200 0.153 0.000 0.965 448 S CB -0.163 63.102 63.200 0.108 0.000 0.812 448 S HN 0.386 nan 8.310 nan 0.000 0.482 449 K N 0.022 120.523 120.400 0.168 0.000 2.228 449 K HA 0.159 4.478 4.320 -0.001 0.000 0.202 449 K C 1.727 178.415 176.600 0.147 0.000 1.051 449 K CA 0.877 57.263 56.287 0.164 0.000 0.960 449 K CB -0.256 32.373 32.500 0.215 0.000 0.743 449 K HN 0.440 nan 8.250 nan 0.000 0.458 450 F N 2.447 122.361 119.950 -0.060 0.000 2.163 450 F HA -0.201 4.325 4.527 -0.001 0.000 0.297 450 F C 2.739 178.532 175.800 -0.011 0.000 1.094 450 F CA 1.925 59.818 58.000 -0.179 0.000 1.290 450 F CB -0.516 38.188 39.000 -0.493 0.000 1.017 450 F HN -0.002 nan 8.300 nan 0.000 0.483 451 Q N 0.766 120.626 119.800 0.099 0.000 2.119 451 Q HA -0.059 4.280 4.340 -0.001 0.000 0.201 451 Q C 1.978 178.010 176.000 0.054 0.000 0.972 451 Q CA 1.924 57.831 55.803 0.173 0.000 0.847 451 Q CB -1.785 27.098 28.738 0.242 0.000 0.903 451 Q HN 0.656 nan 8.270 nan 0.000 0.433 452 E N 0.003 120.218 120.200 0.025 0.000 2.358 452 E HA 0.155 4.505 4.350 -0.001 0.000 0.195 452 E C 1.804 178.359 176.600 -0.075 0.000 1.010 452 E CA 1.145 57.545 56.400 -0.001 0.000 0.856 452 E CB -0.454 29.268 29.700 0.036 0.000 0.795 452 E HN 0.791 nan 8.360 nan 0.000 0.504 453 M N -0.520 118.995 119.600 -0.142 0.000 2.193 453 M HA 0.062 4.541 4.480 -0.001 0.000 0.265 453 M C 2.212 178.323 176.300 -0.316 0.000 1.071 453 M CA 1.385 56.568 55.300 -0.195 0.000 1.140 453 M CB -0.041 32.447 32.600 -0.187 0.000 1.369 453 M HN 0.360 nan 8.290 nan 0.000 0.423 454 I N 0.145 120.456 120.570 -0.431 0.000 2.252 454 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 454 I C 1.965 177.842 176.117 -0.400 0.000 1.102 454 I CA 1.273 62.277 61.300 -0.493 0.000 1.385 454 I CB -0.599 36.954 38.000 -0.745 0.000 1.064 454 I HN 0.353 nan 8.210 nan 0.000 0.414 455 E N 0.446 120.453 120.200 -0.322 0.000 2.160 455 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 455 E C 1.973 178.483 176.600 -0.150 0.000 0.991 455 E CA 1.980 58.266 56.400 -0.189 0.000 0.810 455 E CB -0.112 29.545 29.700 -0.072 0.000 0.742 455 E HN 0.610 nan 8.360 nan 0.000 0.466 456 T N -2.823 111.621 114.554 -0.182 0.000 3.044 456 T HA 0.023 4.372 4.350 -0.001 0.000 0.250 456 T C 1.849 176.307 174.700 -0.404 0.000 1.081 456 T CA 0.859 62.861 62.100 -0.165 0.000 1.040 456 T CB 0.220 69.055 68.868 -0.055 0.000 0.962 456 T HN 0.153 nan 8.240 nan 0.000 0.506 457 T N -0.418 113.837 114.554 -0.499 0.000 3.018 457 T HA 0.420 4.770 4.350 -0.001 0.000 0.246 457 T C 0.231 174.737 174.700 -0.323 0.000 1.026 457 T CA -0.316 61.400 62.100 -0.639 0.000 1.081 457 T CB -0.189 68.282 68.868 -0.661 0.000 0.970 457 T HN 0.172 nan 8.240 nan 0.000 0.475 458 L N 2.693 123.772 121.223 -0.241 0.000 2.296 458 L HA 0.534 4.873 4.340 -0.001 0.000 0.286 458 L C -0.553 176.250 176.870 -0.112 0.000 1.023 458 L CA -0.623 54.129 54.840 -0.147 0.000 0.812 458 L CB 1.392 43.373 42.059 -0.130 0.000 1.223 458 L HN 0.095 nan 8.230 nan 0.000 0.421 459 D N 3.483 123.840 120.400 -0.073 0.000 2.344 459 D HA 0.106 4.746 4.640 -0.001 0.000 0.253 459 D C 1.228 177.482 176.300 -0.076 0.000 1.255 459 D CA -0.164 53.803 54.000 -0.055 0.000 0.894 459 D CB 0.831 41.614 40.800 -0.028 0.000 1.067 459 D HN 0.532 nan 8.370 nan 0.000 0.492 460 M N 1.254 120.813 119.600 -0.068 0.000 2.446 460 M HA -0.069 4.410 4.480 -0.001 0.000 0.263 460 M C 0.279 176.532 176.300 -0.078 0.000 1.066 460 M CA 1.127 56.383 55.300 -0.073 0.000 1.087 460 M CB 0.079 32.676 32.600 -0.005 0.000 1.406 460 M HN 0.023 nan 8.290 nan 0.000 0.459 461 D N 1.476 121.839 120.400 -0.061 0.000 2.224 461 D HA -0.071 4.568 4.640 -0.001 0.000 0.205 461 D C 2.524 178.774 176.300 -0.083 0.000 0.965 461 D CA 1.840 55.806 54.000 -0.057 0.000 0.852 461 D CB -0.057 40.723 40.800 -0.035 0.000 0.947 461 D HN 0.750 nan 8.370 nan 0.000 0.494 462 Q N 0.133 119.872 119.800 -0.102 0.000 2.352 462 Q HA 0.222 4.562 4.340 -0.001 0.000 0.212 462 Q C 2.167 178.032 176.000 -0.225 0.000 0.888 462 Q CA 0.110 55.837 55.803 -0.127 0.000 0.934 462 Q CB -0.368 28.317 28.738 -0.089 0.000 1.093 462 Q HN 0.179 nan 8.270 nan 0.000 0.523 463 V N 1.495 121.253 119.914 -0.259 0.000 2.323 463 V HA -0.176 3.944 4.120 -0.001 0.000 0.244 463 V C 1.600 177.427 176.094 -0.444 0.000 1.041 463 V CA 1.727 63.773 62.300 -0.423 0.000 1.025 463 V CB -0.208 31.347 31.823 -0.446 0.000 0.656 463 V HN 0.744 nan 8.190 nan 0.000 0.451 464 E N 0.350 120.383 120.200 -0.278 0.000 2.335 464 E HA -0.038 4.311 4.350 -0.001 0.000 0.191 464 E C 1.036 177.497 176.600 -0.232 0.000 1.150 464 E CA -0.123 56.153 56.400 -0.206 0.000 1.001 464 E CB -0.082 29.556 29.700 -0.104 0.000 1.127 464 E HN 0.502 nan 8.360 nan 0.000 0.462 465 N N -0.189 118.332 118.700 -0.299 0.000 2.683 465 N HA 0.060 4.799 4.740 -0.001 0.000 0.220 465 N C 1.106 176.315 175.510 -0.502 0.000 1.163 465 N CA 0.716 53.595 53.050 -0.285 0.000 1.149 465 N CB 0.489 38.888 38.487 -0.145 0.000 1.495 465 N HN 0.071 nan 8.380 nan 0.000 0.550 466 H N -1.531 117.381 119.070 -0.263 0.000 2.006 466 H HA 0.165 4.721 4.556 -0.001 0.000 0.189 466 H C -0.075 175.022 175.328 -0.385 0.000 0.887 466 H CA -0.057 55.841 56.048 -0.249 0.000 0.958 466 H CB 0.662 30.340 29.762 -0.139 0.000 1.163 466 H HN 0.431 nan 8.280 nan 0.000 0.364 467 E N 1.486 121.535 120.200 -0.252 0.000 2.504 467 E HA 0.229 4.579 4.350 -0.001 0.000 0.253 467 E C -1.204 175.030 176.600 -0.611 0.000 1.151 467 E CA -0.612 55.613 56.400 -0.291 0.000 0.972 467 E CB 1.093 30.755 29.700 -0.062 0.000 1.247 467 E HN -0.023 nan 8.360 nan 0.000 0.519 468 F N 0.071 120.004 119.950 -0.029 0.000 2.496 468 F HA 0.423 4.949 4.527 -0.001 0.000 0.341 468 F C -0.272 175.509 175.800 -0.032 0.000 1.134 468 F CA -0.622 57.342 58.000 -0.060 0.000 0.968 468 F CB 1.330 40.294 39.000 -0.060 0.000 1.205 468 F HN 0.143 nan 8.300 nan 0.000 0.436 469 L N 2.892 124.167 121.223 0.086 0.000 2.303 469 L HA 0.728 5.068 4.340 -0.001 0.000 0.266 469 L C -0.511 176.388 176.870 0.048 0.000 1.011 469 L CA -1.485 53.401 54.840 0.076 0.000 0.818 469 L CB 2.115 44.213 42.059 0.066 0.000 1.326 469 L HN 0.168 nan 8.230 nan 0.000 0.435 470 V N 0.732 120.678 119.914 0.053 0.000 2.686 470 V HA 0.187 4.307 4.120 -0.001 0.000 0.295 470 V C 0.294 176.413 176.094 0.042 0.000 1.057 470 V CA -0.930 61.377 62.300 0.012 0.000 1.012 470 V CB 1.159 32.987 31.823 0.009 0.000 1.006 470 V HN 0.604 nan 8.190 nan 0.000 0.477 471 K N 4.751 125.157 120.400 0.009 0.000 2.484 471 K HA 0.066 4.385 4.320 -0.001 0.000 0.280 471 K C -1.629 175.050 176.600 0.133 0.000 1.013 471 K CA -0.800 55.523 56.287 0.060 0.000 1.029 471 K CB 0.631 33.157 32.500 0.044 0.000 0.902 471 K HN 0.445 nan 8.250 nan 0.000 0.481 472 P HA -0.096 nan 4.420 nan 0.000 0.224 472 P C 0.655 178.022 177.300 0.113 0.000 1.157 472 P CA 0.795 63.978 63.100 0.140 0.000 0.799 472 P CB 0.298 32.076 31.700 0.129 0.000 0.809 473 S N -2.593 113.173 115.700 0.110 0.000 2.605 473 S HA 0.098 4.568 4.470 -0.001 0.000 0.217 473 S C 1.315 175.991 174.600 0.128 0.000 0.958 473 S CA -0.387 57.867 58.200 0.091 0.000 0.919 473 S CB -1.200 62.042 63.200 0.070 0.000 0.780 473 S HN 0.012 nan 8.310 nan 0.000 0.507 474 F N 2.509 122.456 119.950 -0.005 0.000 2.315 474 F HA 0.362 4.888 4.527 -0.001 0.000 0.284 474 F C 0.357 176.146 175.800 -0.018 0.000 1.049 474 F CA 0.095 58.087 58.000 -0.013 0.000 1.323 474 F CB -0.136 38.853 39.000 -0.019 0.000 1.113 474 F HN 0.175 nan 8.300 nan 0.000 0.544 475 D N 1.839 122.189 120.400 -0.083 0.000 2.280 475 D HA 0.223 4.862 4.640 -0.001 0.000 0.243 475 D C -1.771 174.460 176.300 -0.115 0.000 1.129 475 D CA -2.819 51.064 54.000 -0.195 0.000 0.848 475 D CB 1.466 42.231 40.800 -0.058 0.000 1.107 475 D HN -0.013 nan 8.370 nan 0.000 0.471 476 P HA -0.164 nan 4.420 nan 0.000 0.219 476 P C 0.916 178.183 177.300 -0.055 0.000 1.146 476 P CA 0.768 63.818 63.100 -0.083 0.000 0.808 476 P CB 0.415 32.060 31.700 -0.092 0.000 0.779 477 N N 0.121 118.781 118.700 -0.067 0.000 2.171 477 N HA -0.071 4.668 4.740 -0.001 0.000 0.184 477 N C 1.804 177.290 175.510 -0.041 0.000 1.021 477 N CA 0.985 54.002 53.050 -0.054 0.000 0.854 477 N CB -0.882 37.563 38.487 -0.069 0.000 0.994 477 N HN 0.076 nan 8.380 nan 0.000 0.426 478 L N 0.147 121.335 121.223 -0.058 0.000 2.240 478 L HA -0.005 4.335 4.340 -0.001 0.000 0.211 478 L C 2.303 179.225 176.870 0.087 0.000 1.106 478 L CA 0.985 55.807 54.840 -0.030 0.000 0.793 478 L CB -0.484 41.502 42.059 -0.123 0.000 0.927 478 L HN 0.257 nan 8.230 nan 0.000 0.446 479 S N -0.681 115.044 115.700 0.043 0.000 2.383 479 S HA -0.228 4.241 4.470 -0.001 0.000 0.227 479 S C 1.826 176.451 174.600 0.042 0.000 1.026 479 S CA 1.182 59.411 58.200 0.048 0.000 0.981 479 S CB -0.187 63.025 63.200 0.020 0.000 0.818 479 S HN 0.510 nan 8.310 nan 0.000 0.472 480 E N 0.207 120.424 120.200 0.028 0.000 2.170 480 E HA 0.013 4.363 4.350 -0.001 0.000 0.191 480 E C 1.942 178.562 176.600 0.034 0.000 0.981 480 E CA 0.478 56.890 56.400 0.021 0.000 0.830 480 E CB -0.107 29.597 29.700 0.005 0.000 0.775 480 E HN 0.442 nan 8.360 nan 0.000 0.470 481 L N 1.858 123.118 121.223 0.062 0.000 2.156 481 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 481 L C 2.364 179.288 176.870 0.089 0.000 1.095 481 L CA 1.724 56.618 54.840 0.091 0.000 0.770 481 L CB -0.381 41.769 42.059 0.152 0.000 0.914 481 L HN 0.098 nan 8.230 nan 0.000 0.439 482 R N -1.035 119.535 120.500 0.117 0.000 2.189 482 R HA -0.066 4.273 4.340 -0.001 0.000 0.218 482 R C 1.735 178.039 176.300 0.007 0.000 1.074 482 R CA 1.268 57.393 56.100 0.042 0.000 0.991 482 R CB -0.632 29.713 30.300 0.075 0.000 0.883 482 R HN 0.412 nan 8.270 nan 0.000 0.457 483 E N 1.177 121.388 120.200 0.019 0.000 2.106 483 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 483 E C 1.971 178.572 176.600 0.001 0.000 0.984 483 E CA 1.428 57.834 56.400 0.010 0.000 0.806 483 E CB -0.103 29.604 29.700 0.012 0.000 0.750 483 E HN 0.447 nan 8.360 nan 0.000 0.458 484 I N 0.741 121.307 120.570 -0.006 0.000 2.315 484 I HA -0.246 3.923 4.170 -0.001 0.000 0.248 484 I C 2.362 178.463 176.117 -0.027 0.000 1.117 484 I CA 0.685 61.975 61.300 -0.017 0.000 1.404 484 I CB -0.260 37.724 38.000 -0.027 0.000 1.071 484 I HN 0.147 nan 8.210 nan 0.000 0.419 485 M N 0.367 119.927 119.600 -0.067 0.000 2.175 485 M HA -0.166 4.313 4.480 -0.001 0.000 0.264 485 M C 2.051 178.388 176.300 0.061 0.000 1.063 485 M CA 1.628 56.883 55.300 -0.075 0.000 1.119 485 M CB -1.590 30.906 32.600 -0.174 0.000 1.377 485 M HN 0.287 nan 8.290 nan 0.000 0.415 486 N N 0.966 119.677 118.700 0.019 0.000 2.173 486 N HA -0.131 4.608 4.740 -0.001 0.000 0.184 486 N C 1.096 176.614 175.510 0.014 0.000 1.025 486 N CA 1.401 54.463 53.050 0.020 0.000 0.852 486 N CB -0.092 38.400 38.487 0.009 0.000 0.998 486 N HN 0.148 nan 8.380 nan 0.000 0.427 487 D N 0.115 120.521 120.400 0.010 0.000 2.178 487 D HA -0.060 4.580 4.640 -0.001 0.000 0.202 487 D C 1.917 178.215 176.300 -0.003 0.000 0.974 487 D CA 0.484 54.486 54.000 0.002 0.000 0.841 487 D CB -0.144 40.657 40.800 0.002 0.000 0.953 487 D HN 0.327 nan 8.370 nan 0.000 0.478 488 L N 0.533 121.764 121.223 0.014 0.000 2.093 488 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 488 L C 2.742 179.555 176.870 -0.095 0.000 1.085 488 L CA 1.515 56.350 54.840 -0.008 0.000 0.755 488 L CB -0.656 41.455 42.059 0.087 0.000 0.904 488 L HN 0.080 nan 8.230 nan 0.000 0.435 489 E N 0.915 121.064 120.200 -0.084 0.000 2.204 489 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 489 E C 2.063 178.610 176.600 -0.087 0.000 0.989 489 E CA 1.225 57.540 56.400 -0.141 0.000 0.824 489 E CB -0.434 29.222 29.700 -0.074 0.000 0.756 489 E HN 0.528 nan 8.360 nan 0.000 0.477 490 K N -0.272 120.099 120.400 -0.048 0.000 2.155 490 K HA -0.005 4.314 4.320 -0.001 0.000 0.203 490 K C 2.279 178.860 176.600 -0.032 0.000 1.052 490 K CA 1.225 57.494 56.287 -0.030 0.000 0.948 490 K CB 0.090 32.581 32.500 -0.016 0.000 0.728 490 K HN 0.203 nan 8.250 nan 0.000 0.448 491 K N -0.081 120.294 120.400 -0.042 0.000 2.365 491 K HA 0.107 4.426 4.320 -0.001 0.000 0.197 491 K C 1.829 178.401 176.600 -0.047 0.000 1.042 491 K CA 0.410 56.676 56.287 -0.035 0.000 0.987 491 K CB 0.195 32.676 32.500 -0.030 0.000 0.779 491 K HN 0.044 nan 8.250 nan 0.000 0.484 492 M N 0.773 120.315 119.600 -0.096 0.000 2.254 492 M HA -0.094 4.385 4.480 -0.001 0.000 0.265 492 M C 1.739 178.018 176.300 -0.035 0.000 1.066 492 M CA 1.630 56.857 55.300 -0.122 0.000 1.123 492 M CB -0.550 31.891 32.600 -0.266 0.000 1.388 492 M HN 0.149 nan 8.290 nan 0.000 0.425 493 Q N -0.341 119.443 119.800 -0.027 0.000 2.311 493 Q HA -0.062 4.278 4.340 -0.001 0.000 0.203 493 Q C 2.095 178.113 176.000 0.030 0.000 0.954 493 Q CA 1.595 57.404 55.803 0.009 0.000 0.885 493 Q CB -0.055 28.682 28.738 -0.003 0.000 0.963 493 Q HN 0.611 nan 8.270 nan 0.000 0.471 494 S N 0.033 115.746 115.700 0.021 0.000 2.436 494 S HA -0.100 4.369 4.470 -0.001 0.000 0.228 494 S C 2.105 176.735 174.600 0.050 0.000 1.014 494 S CA 1.199 59.415 58.200 0.027 0.000 0.950 494 S CB -0.492 62.717 63.200 0.014 0.000 0.784 494 S HN 0.434 nan 8.310 nan 0.000 0.504 495 T N 0.443 115.042 114.554 0.075 0.000 3.023 495 T HA 0.243 4.592 4.350 -0.001 0.000 0.266 495 T C 1.737 176.548 174.700 0.185 0.000 1.093 495 T CA 0.432 62.611 62.100 0.131 0.000 1.129 495 T CB -0.596 68.378 68.868 0.177 0.000 0.899 495 T HN 0.325 nan 8.240 nan 0.000 0.491 496 L N 0.256 121.591 121.223 0.188 0.000 2.027 496 L HA 0.124 4.464 4.340 -0.001 0.000 0.206 496 L C 2.648 179.567 176.870 0.081 0.000 1.074 496 L CA 1.320 56.276 54.840 0.192 0.000 0.745 496 L CB -0.406 41.751 42.059 0.162 0.000 0.898 496 L HN 0.243 nan 8.230 nan 0.000 0.433 497 I N -1.484 119.122 120.570 0.060 0.000 2.546 497 I HA -0.219 3.951 4.170 -0.001 0.000 0.255 497 I C 2.691 178.824 176.117 0.027 0.000 1.163 497 I CA 0.862 62.184 61.300 0.036 0.000 1.457 497 I CB -0.282 37.736 38.000 0.029 0.000 1.092 497 I HN 0.171 nan 8.210 nan 0.000 0.434 498 S N 0.785 116.505 115.700 0.034 0.000 2.406 498 S HA -0.009 4.460 4.470 -0.001 0.000 0.228 498 S C 2.061 176.675 174.600 0.023 0.000 1.020 498 S CA 1.176 59.392 58.200 0.027 0.000 0.965 498 S CB -0.035 63.184 63.200 0.031 0.000 0.798 498 S HN 0.474 nan 8.310 nan 0.000 0.488 499 A N 0.241 123.066 122.820 0.009 0.000 2.178 499 A HA 0.588 4.907 4.320 -0.001 0.000 0.211 499 A C 2.074 179.645 177.584 -0.022 0.000 1.157 499 A CA 0.942 52.968 52.037 -0.017 0.000 0.780 499 A CB -0.582 18.298 19.000 -0.201 0.000 0.828 499 A HN 0.604 nan 8.150 nan 0.000 0.476 500 A N -0.209 122.606 122.820 -0.009 0.000 2.123 500 A HA 0.052 4.371 4.320 -0.001 0.000 0.214 500 A C 2.130 179.715 177.584 0.002 0.000 1.152 500 A CA 0.776 52.812 52.037 -0.002 0.000 0.728 500 A CB -0.226 18.780 19.000 0.010 0.000 0.814 500 A HN 0.505 nan 8.150 nan 0.000 0.464 501 R N -0.390 120.115 120.500 0.008 0.000 2.090 501 R HA -0.004 4.335 4.340 -0.001 0.000 0.219 501 R C 0.905 177.212 176.300 0.012 0.000 1.100 501 R CA 1.093 57.199 56.100 0.009 0.000 0.991 501 R CB -0.199 30.108 30.300 0.011 0.000 0.893 501 R HN 0.322 nan 8.270 nan 0.000 0.443 502 D N 0.593 121.008 120.400 0.026 0.000 2.269 502 D HA -0.053 4.586 4.640 -0.001 0.000 0.208 502 D C 1.689 178.005 176.300 0.026 0.000 0.963 502 D CA 0.981 55.007 54.000 0.042 0.000 0.864 502 D CB 0.272 41.126 40.800 0.090 0.000 0.936 502 D HN 0.205 nan 8.370 nan 0.000 0.505 503 L N -1.312 119.911 121.223 -0.001 0.000 2.500 503 L HA 0.265 4.604 4.340 -0.001 0.000 0.219 503 L C 1.057 177.906 176.870 -0.035 0.000 1.057 503 L CA 0.343 55.157 54.840 -0.044 0.000 0.854 503 L CB 0.272 42.276 42.059 -0.090 0.000 1.078 503 L HN 0.027 nan 8.230 nan 0.000 0.480 504 G N 1.775 110.564 108.800 -0.019 0.000 2.370 504 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.268 504 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.268 504 G C -0.542 174.350 174.900 -0.013 0.000 1.122 504 G CA -0.135 44.956 45.100 -0.014 0.000 0.963 504 G HN 0.141 nan 8.290 nan 0.000 0.500 505 L N -0.729 120.489 121.223 -0.008 0.000 2.359 505 L HA 0.538 4.878 4.340 -0.001 0.000 0.256 505 L C -0.571 176.304 176.870 0.008 0.000 1.026 505 L CA -1.427 53.412 54.840 -0.001 0.000 0.828 505 L CB 1.591 43.651 42.059 0.001 0.000 1.406 505 L HN -0.014 nan 8.230 nan 0.000 0.413 506 D N 1.916 122.323 120.400 0.012 0.000 2.390 506 D HA 0.228 4.867 4.640 -0.001 0.000 0.249 506 D C -2.379 173.935 176.300 0.024 0.000 1.144 506 D CA -1.064 52.945 54.000 0.015 0.000 0.880 506 D CB 0.675 41.483 40.800 0.014 0.000 1.182 506 D HN 0.104 nan 8.370 nan 0.000 0.451 507 P HA 0.214 nan 4.420 nan 0.000 0.282 507 P C 0.994 178.313 177.300 0.032 0.000 1.274 507 P CA -0.095 63.025 63.100 0.034 0.000 0.770 507 P CB 1.185 32.904 31.700 0.031 0.000 0.867 508 G N 3.663 112.487 108.800 0.039 0.000 2.304 508 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.252 508 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.252 508 G C 1.075 175.991 174.900 0.026 0.000 1.014 508 G CA 0.473 45.591 45.100 0.030 0.000 0.619 508 G HN 0.520 nan 8.290 nan 0.000 0.525 509 K N -0.726 119.689 120.400 0.025 0.000 2.202 509 K HA 0.429 4.749 4.320 -0.001 0.000 0.201 509 K C 2.747 179.363 176.600 0.026 0.000 1.051 509 K CA 1.511 57.810 56.287 0.021 0.000 0.977 509 K CB -0.036 32.474 32.500 0.016 0.000 0.792 509 K HN 0.592 nan 8.250 nan 0.000 0.469 510 Q N 0.512 120.331 119.800 0.032 0.000 2.422 510 Q HA 0.285 4.625 4.340 -0.001 0.000 0.255 510 Q C 0.677 176.712 176.000 0.057 0.000 0.864 510 Q CA 0.184 56.009 55.803 0.037 0.000 0.968 510 Q CB 0.437 29.192 28.738 0.028 0.000 1.130 510 Q HN 0.173 nan 8.270 nan 0.000 0.556 511 I N 2.053 122.662 120.570 0.064 0.000 2.382 511 I HA 0.380 4.550 4.170 -0.001 0.000 0.286 511 I C -0.650 175.524 176.117 0.096 0.000 1.002 511 I CA -0.685 60.673 61.300 0.096 0.000 1.135 511 I CB 2.048 40.106 38.000 0.097 0.000 1.288 511 I HN 0.136 nan 8.210 nan 0.000 0.448 512 K N 6.060 126.516 120.400 0.092 0.000 2.258 512 K HA 0.724 5.044 4.320 -0.001 0.000 0.236 512 K C -1.106 175.508 176.600 0.024 0.000 1.008 512 K CA -0.913 55.406 56.287 0.053 0.000 0.869 512 K CB 2.749 35.268 32.500 0.031 0.000 1.171 512 K HN 0.405 nan 8.250 nan 0.000 0.447 513 L N 1.528 122.721 121.223 -0.049 0.000 2.406 513 L HA 0.405 4.744 4.340 -0.001 0.000 0.270 513 L C -1.777 174.953 176.870 -0.232 0.000 0.982 513 L CA -0.382 54.355 54.840 -0.171 0.000 0.843 513 L CB 1.423 43.412 42.059 -0.117 0.000 1.225 513 L HN 0.598 nan 8.230 nan 0.000 0.412 514 D N 2.281 122.405 120.400 -0.461 0.000 2.738 514 D HA 0.496 5.135 4.640 -0.001 0.000 0.237 514 D C -0.812 174.990 176.300 -0.830 0.000 1.123 514 D CA -0.123 53.591 54.000 -0.475 0.000 0.856 514 D CB 2.308 42.949 40.800 -0.266 0.000 1.552 514 D HN 0.478 nan 8.370 nan 0.000 0.480 515 S N 1.488 116.788 115.700 -0.667 0.000 2.585 515 S HA 0.720 5.189 4.470 -0.001 0.000 0.277 515 S C -0.187 174.180 174.600 -0.388 0.000 1.241 515 S CA -0.633 57.063 58.200 -0.840 0.000 1.041 515 S CB 1.446 64.111 63.200 -0.892 0.000 0.987 515 S HN 0.305 nan 8.310 nan 0.000 0.512 516 S N 0.419 115.973 115.700 -0.243 0.000 2.564 516 S HA 0.657 5.127 4.470 -0.001 0.000 0.274 516 S C 0.543 175.111 174.600 -0.054 0.000 1.124 516 S CA -0.229 57.955 58.200 -0.027 0.000 0.869 516 S CB 1.272 64.613 63.200 0.235 0.000 1.105 516 S HN 1.198 nan 8.310 nan 0.000 0.472 517 A N 2.545 125.325 122.820 -0.067 0.000 2.119 517 A HA 0.077 4.397 4.320 -0.001 0.000 0.216 517 A C 1.865 179.371 177.584 -0.130 0.000 1.152 517 A CA 0.697 52.688 52.037 -0.076 0.000 0.708 517 A CB -0.313 18.646 19.000 -0.068 0.000 0.805 517 A HN 0.751 nan 8.150 nan 0.000 0.460 518 Q N -1.293 118.372 119.800 -0.225 0.000 2.062 518 Q HA -0.009 4.330 4.340 -0.001 0.000 0.196 518 Q C 1.194 176.806 176.000 -0.647 0.000 0.967 518 Q CA 1.506 56.986 55.803 -0.539 0.000 0.832 518 Q CB -0.168 28.062 28.738 -0.847 0.000 0.899 518 Q HN 0.756 nan 8.270 nan 0.000 0.442 519 F N -1.903 118.067 119.950 0.034 0.000 2.581 519 F HA 0.386 4.912 4.527 -0.001 0.000 0.278 519 F C 1.437 177.285 175.800 0.080 0.000 1.000 519 F CA 0.556 58.589 58.000 0.055 0.000 1.230 519 F CB 0.229 39.253 39.000 0.040 0.000 1.008 519 F HN 0.206 nan 8.300 nan 0.000 0.695 520 G N -0.437 108.514 108.800 0.253 0.000 2.246 520 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.196 520 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.196 520 G C -1.368 173.425 174.900 -0.177 0.000 1.180 520 G CA -0.884 44.248 45.100 0.053 0.000 1.291 520 G HN 0.026 nan 8.290 nan 0.000 0.508 521 Y N 1.307 121.522 120.300 -0.141 0.000 2.361 521 Y HA 0.711 5.260 4.550 -0.001 0.000 0.332 521 Y C 0.528 176.232 175.900 -0.327 0.000 1.101 521 Y CA 0.205 58.061 58.100 -0.407 0.000 1.137 521 Y CB 1.655 39.846 38.460 -0.448 0.000 1.207 521 Y HN 0.824 nan 8.280 nan 0.000 0.463 522 Y N -1.153 118.978 120.300 -0.282 0.000 2.788 522 Y HA 0.698 5.247 4.550 -0.001 0.000 0.335 522 Y C -2.136 173.369 175.900 -0.658 0.000 1.287 522 Y CA -2.623 55.196 58.100 -0.467 0.000 1.068 522 Y CB 0.779 39.069 38.460 -0.283 0.000 1.340 522 Y HN 0.285 nan 8.280 nan 0.000 0.449 523 F N 0.898 120.726 119.950 -0.204 0.000 2.450 523 F HA 0.811 5.338 4.527 -0.001 0.000 0.332 523 F C -0.027 175.539 175.800 -0.389 0.000 1.093 523 F CA -0.897 56.833 58.000 -0.450 0.000 1.003 523 F CB 2.041 40.472 39.000 -0.948 0.000 1.151 523 F HN 0.267 nan 8.300 nan 0.000 0.474 524 R N 1.664 122.193 120.500 0.048 0.000 2.574 524 R HA 0.785 5.125 4.340 -0.001 0.000 0.288 524 R C -1.597 174.796 176.300 0.155 0.000 1.004 524 R CA -0.761 55.408 56.100 0.114 0.000 0.895 524 R CB 2.563 32.947 30.300 0.139 0.000 1.191 524 R HN 0.479 nan 8.270 nan 0.000 0.444 525 V N 0.216 120.252 119.914 0.203 0.000 3.155 525 V HA 0.441 4.560 4.120 -0.001 0.000 0.313 525 V C 0.420 176.573 176.094 0.098 0.000 1.162 525 V CA -1.078 61.312 62.300 0.149 0.000 1.048 525 V CB 2.130 34.051 31.823 0.164 0.000 1.092 525 V HN 0.927 nan 8.190 nan 0.000 0.447 526 T N -1.337 113.252 114.554 0.058 0.000 2.932 526 T HA 0.033 4.382 4.350 -0.001 0.000 0.312 526 T C 0.583 175.300 174.700 0.028 0.000 1.071 526 T CA 0.048 62.170 62.100 0.036 0.000 1.128 526 T CB 0.117 68.997 68.868 0.020 0.000 0.984 526 T HN 1.231 nan 8.240 nan 0.000 0.549 527 C N 0.848 120.160 119.300 0.019 0.000 3.585 527 C HA 0.690 5.150 4.460 -0.001 0.000 0.575 527 C C 1.086 176.073 174.990 -0.005 0.000 1.068 527 C CA -0.484 58.539 59.018 0.008 0.000 1.113 527 C CB -2.586 25.157 27.740 0.006 0.000 1.381 527 C HN 1.116 nan 8.230 nan 0.000 0.635 528 K N -0.098 120.294 120.400 -0.013 0.000 3.199 528 K HA 0.371 4.690 4.320 -0.001 0.000 0.181 528 K C -0.413 176.163 176.600 -0.040 0.000 1.067 528 K CA -0.074 56.199 56.287 -0.023 0.000 1.021 528 K CB -0.210 32.280 32.500 -0.016 0.000 0.688 528 K HN 0.650 nan 8.250 nan 0.000 0.415 529 E N 1.111 121.276 120.200 -0.058 0.000 2.129 529 E HA 0.294 4.643 4.350 -0.001 0.000 0.268 529 E C -0.576 175.952 176.600 -0.119 0.000 0.900 529 E CA -0.634 55.707 56.400 -0.099 0.000 0.755 529 E CB 1.739 31.357 29.700 -0.137 0.000 1.117 529 E HN 0.312 nan 8.360 nan 0.000 0.410 530 E N 1.569 121.705 120.200 -0.106 0.000 2.499 530 E HA 0.018 4.367 4.350 -0.001 0.000 0.199 530 E C 0.697 177.227 176.600 -0.117 0.000 1.016 530 E CA 0.060 56.400 56.400 -0.100 0.000 0.933 530 E CB 0.333 29.992 29.700 -0.068 0.000 1.050 530 E HN 0.446 nan 8.360 nan 0.000 0.462 531 K N -0.568 119.736 120.400 -0.161 0.000 2.387 531 K HA 0.197 4.516 4.320 -0.001 0.000 0.198 531 K C 0.472 176.931 176.600 -0.235 0.000 1.022 531 K CA 0.030 56.215 56.287 -0.170 0.000 1.128 531 K CB 0.654 33.054 32.500 -0.167 0.000 0.853 531 K HN -0.213 nan 8.250 nan 0.000 0.523 532 V N 2.006 121.754 119.914 -0.277 0.000 2.581 532 V HA 0.255 4.374 4.120 -0.001 0.000 0.303 532 V C 0.894 176.887 176.094 -0.167 0.000 1.041 532 V CA -0.895 61.210 62.300 -0.324 0.000 0.907 532 V CB 1.166 32.661 31.823 -0.546 0.000 0.994 532 V HN 0.419 nan 8.190 nan 0.000 0.442 533 L N 0.537 121.703 121.223 -0.095 0.000 3.015 533 L HA -0.357 3.982 4.340 -0.001 0.000 0.389 533 L C 2.253 179.105 176.870 -0.029 0.000 0.737 533 L CA 1.819 56.636 54.840 -0.039 0.000 3.213 533 L CB -1.332 40.701 42.059 -0.042 0.000 0.600 533 L HN 0.781 nan 8.230 nan 0.000 0.774 534 R N 0.004 120.476 120.500 -0.047 0.000 2.055 534 R HA 0.193 4.532 4.340 -0.001 0.000 0.226 534 R C 1.442 177.726 176.300 -0.026 0.000 1.135 534 R CA 2.052 58.132 56.100 -0.035 0.000 0.959 534 R CB -1.750 28.524 30.300 -0.043 0.000 0.854 534 R HN 0.746 nan 8.270 nan 0.000 0.431 535 N N 0.526 119.205 118.700 -0.036 0.000 2.610 535 N HA 0.343 5.082 4.740 -0.001 0.000 0.309 535 N C 0.052 175.563 175.510 0.002 0.000 1.536 535 N CA 0.355 53.393 53.050 -0.020 0.000 0.954 535 N CB -0.789 37.679 38.487 -0.031 0.000 1.310 535 N HN 1.075 nan 8.380 nan 0.000 0.502 536 N N 0.669 119.385 118.700 0.026 0.000 2.468 536 N HA 0.243 4.982 4.740 -0.001 0.000 0.265 536 N C 0.032 175.635 175.510 0.154 0.000 1.199 536 N CA 0.040 53.158 53.050 0.114 0.000 0.928 536 N CB -0.063 38.490 38.487 0.110 0.000 1.059 536 N HN 0.598 nan 8.380 nan 0.000 0.467 537 K N 2.050 122.623 120.400 0.287 0.000 2.385 537 K HA 0.207 4.527 4.320 -0.001 0.000 0.229 537 K C -0.530 176.005 176.600 -0.107 0.000 1.089 537 K CA -0.523 55.837 56.287 0.122 0.000 1.060 537 K CB 0.044 32.623 32.500 0.131 0.000 1.698 537 K HN 0.693 nan 8.250 nan 0.000 0.469 538 N N 0.900 119.540 118.700 -0.100 0.000 2.780 538 N HA -0.176 4.563 4.740 -0.001 0.000 0.247 538 N C -1.113 174.161 175.510 -0.393 0.000 1.076 538 N CA 1.049 53.967 53.050 -0.221 0.000 0.688 538 N CB -1.579 36.762 38.487 -0.244 0.000 0.957 538 N HN 0.290 nan 8.380 nan 0.000 0.551 539 F N -0.421 119.552 119.950 0.039 0.000 2.712 539 F HA 0.771 5.297 4.527 -0.001 0.000 0.367 539 F C 0.880 176.724 175.800 0.072 0.000 1.132 539 F CA -0.501 57.548 58.000 0.082 0.000 1.066 539 F CB 1.510 40.553 39.000 0.071 0.000 1.416 539 F HN -0.157 nan 8.300 nan 0.000 0.515 540 S N -0.965 114.942 115.700 0.345 0.000 2.607 540 S HA 0.480 4.949 4.470 -0.001 0.000 0.273 540 S C -1.026 173.676 174.600 0.170 0.000 1.148 540 S CA -0.784 57.532 58.200 0.193 0.000 0.833 540 S CB 1.999 65.285 63.200 0.143 0.000 1.130 540 S HN 0.608 nan 8.310 nan 0.000 0.470 541 T N 0.823 115.430 114.554 0.088 0.000 2.907 541 T HA 0.690 5.039 4.350 -0.001 0.000 0.284 541 T C 0.168 174.863 174.700 -0.008 0.000 1.004 541 T CA -0.369 61.757 62.100 0.044 0.000 1.063 541 T CB 0.573 69.451 68.868 0.016 0.000 0.992 541 T HN 0.309 nan 8.240 nan 0.000 0.483 542 V N 2.709 122.578 119.914 -0.075 0.000 4.508 542 V HA 0.497 4.616 4.120 -0.001 0.000 0.169 542 V C -0.273 175.693 176.094 -0.212 0.000 1.084 542 V CA -0.160 62.006 62.300 -0.224 0.000 1.371 542 V CB 0.390 31.927 31.823 -0.477 0.000 1.878 542 V HN 0.856 nan 8.190 nan 0.000 0.506 543 D N -1.444 118.801 120.400 -0.258 0.000 2.655 543 D HA 0.567 5.206 4.640 -0.001 0.000 0.229 543 D C -1.654 174.577 176.300 -0.114 0.000 1.229 543 D CA -0.284 53.628 54.000 -0.145 0.000 0.807 543 D CB 1.914 42.654 40.800 -0.101 0.000 1.514 543 D HN 0.271 nan 8.370 nan 0.000 0.444 544 I N 1.718 122.256 120.570 -0.053 0.000 2.509 544 I HA 0.436 4.605 4.170 -0.001 0.000 0.293 544 I C 0.094 176.199 176.117 -0.019 0.000 1.020 544 I CA -0.620 60.660 61.300 -0.034 0.000 1.088 544 I CB 1.967 39.955 38.000 -0.020 0.000 1.267 544 I HN 0.231 nan 8.210 nan 0.000 0.430 545 Q N 3.492 123.283 119.800 -0.014 0.000 2.892 545 Q HA 0.456 4.795 4.340 -0.001 0.000 0.307 545 Q C 0.096 176.096 176.000 0.001 0.000 1.039 545 Q CA -1.038 54.763 55.803 -0.003 0.000 0.792 545 Q CB 1.980 30.717 28.738 -0.001 0.000 1.504 545 Q HN 0.343 nan 8.270 nan 0.000 0.487 546 K N 0.708 121.111 120.400 0.005 0.000 2.288 546 K HA -0.064 4.255 4.320 -0.001 0.000 0.201 546 K C 1.364 177.970 176.600 0.011 0.000 1.048 546 K CA 0.823 57.114 56.287 0.006 0.000 0.956 546 K CB -0.148 32.356 32.500 0.006 0.000 0.746 546 K HN 0.452 nan 8.250 nan 0.000 0.461 547 N N 0.494 119.202 118.700 0.013 0.000 2.120 547 N HA -0.125 4.614 4.740 -0.001 0.000 0.188 547 N C 0.822 176.348 175.510 0.027 0.000 1.024 547 N CA 1.693 54.755 53.050 0.020 0.000 0.852 547 N CB 0.251 38.751 38.487 0.023 0.000 1.003 547 N HN 0.240 nan 8.380 nan 0.000 0.424 548 G N -2.170 106.643 108.800 0.023 0.000 2.399 548 G HA2 0.294 4.254 3.960 -0.001 0.000 0.256 548 G HA3 0.294 4.254 3.960 -0.001 0.000 0.256 548 G C -1.967 172.952 174.900 0.032 0.000 1.236 548 G CA -0.156 44.966 45.100 0.037 0.000 0.914 548 G HN 0.017 nan 8.290 nan 0.000 0.482 549 V N 1.322 121.281 119.914 0.075 0.000 2.443 549 V HA 0.478 4.597 4.120 -0.001 0.000 0.293 549 V C -0.331 175.857 176.094 0.157 0.000 1.021 549 V CA -0.785 61.575 62.300 0.100 0.000 0.848 549 V CB 1.463 33.360 31.823 0.124 0.000 0.998 549 V HN 0.596 nan 8.190 nan 0.000 0.424 550 K N 5.680 126.076 120.400 -0.007 0.000 2.227 550 K HA 0.712 5.031 4.320 -0.001 0.000 0.280 550 K C -0.930 175.700 176.600 0.051 0.000 1.041 550 K CA -0.163 56.033 56.287 -0.151 0.000 0.905 550 K CB 1.071 33.242 32.500 -0.548 0.000 1.068 550 K HN 0.642 nan 8.250 nan 0.000 0.470 551 F N -1.322 118.648 119.950 0.032 0.000 2.641 551 F HA 0.495 5.022 4.527 -0.001 0.000 0.308 551 F C -0.840 175.155 175.800 0.325 0.000 1.105 551 F CA -1.007 57.056 58.000 0.106 0.000 0.964 551 F CB 1.537 40.561 39.000 0.041 0.000 1.294 551 F HN 0.392 nan 8.300 nan 0.000 0.442 552 T N -0.063 114.758 114.554 0.445 0.000 2.912 552 T HA 0.577 4.926 4.350 -0.001 0.000 0.299 552 T C -0.903 174.105 174.700 0.514 0.000 1.052 552 T CA -0.909 61.465 62.100 0.455 0.000 0.996 552 T CB 1.732 70.718 68.868 0.196 0.000 1.070 552 T HN 0.945 nan 8.240 nan 0.000 0.465 553 N N 1.186 120.182 118.700 0.494 0.000 2.418 553 N HA 0.278 5.017 4.740 -0.001 0.000 0.283 553 N C 0.975 176.524 175.510 0.065 0.000 1.267 553 N CA -0.783 52.347 53.050 0.132 0.000 0.975 553 N CB -0.096 38.287 38.487 -0.174 0.000 1.167 553 N HN 0.504 nan 8.380 nan 0.000 0.581 554 S N -0.921 114.754 115.700 -0.040 0.000 2.423 554 S HA -0.108 4.361 4.470 -0.001 0.000 0.231 554 S C 1.449 176.053 174.600 0.006 0.000 1.014 554 S CA 0.960 59.153 58.200 -0.012 0.000 0.965 554 S CB -0.273 62.901 63.200 -0.044 0.000 0.785 554 S HN 0.651 nan 8.310 nan 0.000 0.495 555 K N 1.759 122.162 120.400 0.005 0.000 2.103 555 K HA 0.153 4.472 4.320 -0.001 0.000 0.204 555 K C 1.824 178.449 176.600 0.040 0.000 1.052 555 K CA 0.864 57.164 56.287 0.021 0.000 0.945 555 K CB -0.406 32.107 32.500 0.023 0.000 0.722 555 K HN 0.340 nan 8.250 nan 0.000 0.443 556 L N 0.346 121.613 121.223 0.074 0.000 2.127 556 L HA -0.106 4.234 4.340 -0.001 0.000 0.203 556 L C 1.919 178.813 176.870 0.039 0.000 1.080 556 L CA 1.647 56.514 54.840 0.046 0.000 0.768 556 L CB -0.707 41.385 42.059 0.056 0.000 0.924 556 L HN 0.440 nan 8.230 nan 0.000 0.444 557 T N -2.198 112.394 114.554 0.063 0.000 2.620 557 T HA -0.279 4.070 4.350 -0.001 0.000 0.267 557 T C 1.876 176.609 174.700 0.056 0.000 1.044 557 T CA 2.012 64.151 62.100 0.065 0.000 1.161 557 T CB -1.132 67.776 68.868 0.067 0.000 0.862 557 T HN 0.565 nan 8.240 nan 0.000 0.438 558 S N 1.211 116.937 115.700 0.044 0.000 2.461 558 S HA 0.157 4.626 4.470 -0.001 0.000 0.228 558 S C 1.922 176.546 174.600 0.040 0.000 1.005 558 S CA 0.469 58.693 58.200 0.040 0.000 0.942 558 S CB -0.534 62.684 63.200 0.030 0.000 0.776 558 S HN 0.324 nan 8.310 nan 0.000 0.514 559 L N 2.203 123.443 121.223 0.029 0.000 2.240 559 L HA 0.248 4.587 4.340 -0.001 0.000 0.211 559 L C 2.023 178.913 176.870 0.033 0.000 1.106 559 L CA 1.366 56.217 54.840 0.018 0.000 0.793 559 L CB -0.868 41.182 42.059 -0.015 0.000 0.927 559 L HN 0.306 nan 8.230 nan 0.000 0.446 560 N N -0.200 118.523 118.700 0.039 0.000 2.207 560 N HA -0.146 4.593 4.740 -0.001 0.000 0.182 560 N C 1.689 177.289 175.510 0.149 0.000 1.020 560 N CA 1.400 54.500 53.050 0.082 0.000 0.858 560 N CB 0.063 38.603 38.487 0.089 0.000 0.991 560 N HN 0.421 nan 8.380 nan 0.000 0.427 561 E N 0.001 120.267 120.200 0.110 0.000 2.150 561 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 561 E C 1.416 178.075 176.600 0.097 0.000 0.985 561 E CA 0.681 57.143 56.400 0.103 0.000 0.814 561 E CB -0.023 29.723 29.700 0.076 0.000 0.752 561 E HN 0.533 nan 8.360 nan 0.000 0.466 562 E N -0.156 120.099 120.200 0.093 0.000 2.216 562 E HA -0.157 4.193 4.350 -0.001 0.000 0.192 562 E C 1.617 178.270 176.600 0.089 0.000 0.988 562 E CA 0.334 56.777 56.400 0.072 0.000 0.834 562 E CB 0.074 29.807 29.700 0.054 0.000 0.772 562 E HN 0.288 nan 8.360 nan 0.000 0.479 563 Y N 0.848 121.149 120.300 0.002 0.000 2.286 563 Y HA -0.155 4.394 4.550 -0.001 0.000 0.293 563 Y C 2.491 178.410 175.900 0.032 0.000 1.124 563 Y CA 2.014 60.112 58.100 -0.003 0.000 1.178 563 Y CB -0.196 38.244 38.460 -0.035 0.000 1.010 563 Y HN 0.132 nan 8.280 nan 0.000 0.536 564 T N -2.328 112.360 114.554 0.222 0.000 2.951 564 T HA -0.116 4.233 4.350 -0.001 0.000 0.268 564 T C 1.670 176.403 174.700 0.054 0.000 1.073 564 T CA 1.316 63.505 62.100 0.148 0.000 1.134 564 T CB -0.264 68.696 68.868 0.153 0.000 0.884 564 T HN 0.264 nan 8.240 nan 0.000 0.479 565 K N 1.009 121.432 120.400 0.039 0.000 2.217 565 K HA 0.049 4.368 4.320 -0.001 0.000 0.202 565 K C 1.922 178.519 176.600 -0.004 0.000 1.051 565 K CA 0.999 57.299 56.287 0.020 0.000 0.952 565 K CB -0.120 32.394 32.500 0.023 0.000 0.736 565 K HN 0.278 nan 8.250 nan 0.000 0.453 566 N N 1.032 119.701 118.700 -0.053 0.000 2.354 566 N HA -0.071 4.668 4.740 -0.001 0.000 0.179 566 N C 1.225 176.703 175.510 -0.054 0.000 1.021 566 N CA 0.921 53.924 53.050 -0.078 0.000 0.887 566 N CB 0.120 38.499 38.487 -0.180 0.000 0.974 566 N HN 0.160 nan 8.380 nan 0.000 0.437 567 K N 0.015 120.368 120.400 -0.078 0.000 2.103 567 K HA -0.025 4.294 4.320 -0.001 0.000 0.204 567 K C 1.944 178.576 176.600 0.055 0.000 1.052 567 K CA 1.510 57.782 56.287 -0.024 0.000 0.945 567 K CB -0.150 32.342 32.500 -0.014 0.000 0.722 567 K HN 0.356 nan 8.250 nan 0.000 0.443 568 T N -0.804 113.774 114.554 0.040 0.000 2.867 568 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 568 T C 1.635 176.364 174.700 0.049 0.000 1.057 568 T CA 1.014 63.141 62.100 0.045 0.000 1.136 568 T CB -0.090 68.798 68.868 0.033 0.000 0.874 568 T HN 0.236 nan 8.240 nan 0.000 0.466 569 E N -0.499 119.731 120.200 0.050 0.000 2.230 569 E HA 0.034 4.383 4.350 -0.001 0.000 0.192 569 E C 1.723 178.356 176.600 0.055 0.000 0.987 569 E CA 0.470 56.894 56.400 0.040 0.000 0.841 569 E CB -0.160 29.556 29.700 0.027 0.000 0.783 569 E HN 0.636 nan 8.360 nan 0.000 0.481 570 Y N 1.831 122.114 120.300 -0.028 0.000 2.243 570 Y HA -0.101 4.448 4.550 -0.001 0.000 0.293 570 Y C 1.934 177.831 175.900 -0.006 0.000 1.124 570 Y CA 1.351 59.438 58.100 -0.022 0.000 1.159 570 Y CB 0.374 38.810 38.460 -0.040 0.000 1.008 570 Y HN -0.050 nan 8.280 nan 0.000 0.527 571 E N -0.049 120.266 120.200 0.192 0.000 2.152 571 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 571 E C 1.719 178.349 176.600 0.050 0.000 0.983 571 E CA 1.239 57.712 56.400 0.123 0.000 0.818 571 E CB -0.081 29.679 29.700 0.100 0.000 0.758 571 E HN 0.718 nan 8.360 nan 0.000 0.467 572 E N 0.190 120.407 120.200 0.029 0.000 2.481 572 E HA 0.051 4.401 4.350 -0.001 0.000 0.195 572 E C 1.595 178.185 176.600 -0.018 0.000 1.047 572 E CA 0.567 56.972 56.400 0.009 0.000 0.867 572 E CB 0.309 30.016 29.700 0.011 0.000 0.858 572 E HN 0.130 nan 8.360 nan 0.000 0.513 573 A N 1.112 123.898 122.820 -0.056 0.000 1.924 573 A HA -0.005 4.314 4.320 -0.001 0.000 0.211 573 A C 2.146 179.671 177.584 -0.099 0.000 1.198 573 A CA 0.477 52.453 52.037 -0.102 0.000 0.657 573 A CB -0.083 18.801 19.000 -0.194 0.000 0.852 573 A HN 0.153 nan 8.150 nan 0.000 0.454 574 Q N 0.372 120.108 119.800 -0.108 0.000 2.016 574 Q HA -0.204 4.135 4.340 -0.001 0.000 0.200 574 Q C 1.648 177.646 176.000 -0.003 0.000 0.978 574 Q CA 1.632 57.402 55.803 -0.054 0.000 0.833 574 Q CB -0.299 28.438 28.738 -0.002 0.000 0.895 574 Q HN 0.841 nan 8.270 nan 0.000 0.427 575 D N 0.165 120.572 120.400 0.012 0.000 2.263 575 D HA -0.124 4.515 4.640 -0.001 0.000 0.208 575 D C 1.519 177.831 176.300 0.019 0.000 0.971 575 D CA 1.237 55.251 54.000 0.023 0.000 0.867 575 D CB -0.226 40.592 40.800 0.028 0.000 0.929 575 D HN 0.203 nan 8.370 nan 0.000 0.492 576 A N 0.615 123.440 122.820 0.009 0.000 1.968 576 A HA 0.025 4.345 4.320 -0.001 0.000 0.217 576 A C 2.438 180.035 177.584 0.020 0.000 1.169 576 A CA 0.875 52.918 52.037 0.011 0.000 0.638 576 A CB -0.597 18.403 19.000 -0.000 0.000 0.812 576 A HN 0.296 nan 8.150 nan 0.000 0.446 577 I N -0.730 119.852 120.570 0.020 0.000 2.333 577 I HA -0.141 4.029 4.170 -0.001 0.000 0.246 577 I C 2.265 178.404 176.117 0.037 0.000 1.106 577 I CA 0.662 61.984 61.300 0.038 0.000 1.411 577 I CB -0.307 37.723 38.000 0.049 0.000 1.082 577 I HN 0.112 nan 8.210 nan 0.000 0.420 578 V N 1.297 121.229 119.914 0.031 0.000 2.287 578 V HA -0.311 3.808 4.120 -0.001 0.000 0.248 578 V C 2.432 178.559 176.094 0.055 0.000 1.053 578 V CA 1.907 64.230 62.300 0.038 0.000 1.027 578 V CB -0.727 31.117 31.823 0.036 0.000 0.646 578 V HN 0.389 nan 8.190 nan 0.000 0.447 579 K N -0.398 120.031 120.400 0.048 0.000 2.152 579 K HA -0.256 4.063 4.320 -0.001 0.000 0.206 579 K C 2.214 178.853 176.600 0.064 0.000 1.048 579 K CA 1.803 58.122 56.287 0.053 0.000 0.933 579 K CB -0.133 32.391 32.500 0.039 0.000 0.721 579 K HN 0.592 nan 8.250 nan 0.000 0.447 580 E N 0.967 121.203 120.200 0.060 0.000 2.076 580 E HA -0.104 4.246 4.350 -0.001 0.000 0.190 580 E C 1.962 178.612 176.600 0.083 0.000 0.979 580 E CA 0.521 56.960 56.400 0.065 0.000 0.807 580 E CB 0.094 29.829 29.700 0.058 0.000 0.761 580 E HN 0.217 nan 8.360 nan 0.000 0.454 581 I N 0.756 121.374 120.570 0.079 0.000 2.264 581 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 581 I C 2.309 178.515 176.117 0.149 0.000 1.111 581 I CA 0.708 62.062 61.300 0.090 0.000 1.382 581 I CB -0.121 37.906 38.000 0.045 0.000 1.060 581 I HN 0.076 nan 8.210 nan 0.000 0.418 582 V N 1.032 121.044 119.914 0.164 0.000 2.358 582 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 582 V C 1.989 178.211 176.094 0.213 0.000 1.047 582 V CA 1.825 64.276 62.300 0.253 0.000 1.035 582 V CB -0.771 31.180 31.823 0.214 0.000 0.658 582 V HN 0.442 nan 8.190 nan 0.000 0.452 583 N N -0.095 118.689 118.700 0.140 0.000 2.396 583 N HA 0.048 4.787 4.740 -0.001 0.000 0.180 583 N C 1.641 177.207 175.510 0.094 0.000 1.028 583 N CA 1.026 54.139 53.050 0.104 0.000 0.893 583 N CB -0.167 38.364 38.487 0.073 0.000 0.967 583 N HN 0.442 nan 8.380 nan 0.000 0.440 584 I N 0.240 120.882 120.570 0.120 0.000 2.406 584 I HA -0.156 4.013 4.170 -0.001 0.000 0.249 584 I C 1.899 178.158 176.117 0.237 0.000 1.122 584 I CA 0.791 62.182 61.300 0.151 0.000 1.431 584 I CB -0.158 37.943 38.000 0.168 0.000 1.087 584 I HN 0.121 nan 8.210 nan 0.000 0.424 585 S N -0.049 115.771 115.700 0.201 0.000 2.489 585 S HA -0.088 4.381 4.470 -0.001 0.000 0.228 585 S C 1.885 176.414 174.600 -0.119 0.000 0.995 585 S CA 0.756 59.005 58.200 0.083 0.000 0.934 585 S CB -0.507 62.634 63.200 -0.098 0.000 0.771 585 S HN 0.490 nan 8.310 nan 0.000 0.522 586 S N 0.518 116.213 115.700 -0.010 0.000 2.603 586 S HA 0.282 4.751 4.470 -0.001 0.000 0.220 586 S C 1.568 176.160 174.600 -0.013 0.000 0.967 586 S CA 0.198 58.407 58.200 0.016 0.000 0.920 586 S CB -0.362 62.903 63.200 0.108 0.000 0.773 586 S HN 0.585 nan 8.310 nan 0.000 0.529 587 G N -0.343 108.438 108.800 -0.032 0.000 2.838 587 G HA2 0.142 4.102 3.960 -0.001 0.000 0.210 587 G HA3 0.142 4.102 3.960 -0.001 0.000 0.210 587 G C 0.389 175.114 174.900 -0.291 0.000 1.153 587 G CA -0.186 44.822 45.100 -0.154 0.000 0.778 587 G HN 0.596 nan 8.290 nan 0.000 0.539 588 Y N 0.686 120.892 120.300 -0.156 0.000 2.645 588 Y HA 0.283 4.832 4.550 -0.001 0.000 0.307 588 Y C 1.913 177.720 175.900 -0.154 0.000 1.151 588 Y CA -0.459 57.520 58.100 -0.202 0.000 1.291 588 Y CB 0.598 38.904 38.460 -0.257 0.000 1.135 588 Y HN 0.002 nan 8.280 nan 0.000 0.523 589 V N -0.417 119.480 119.914 -0.027 0.000 2.453 589 V HA -0.232 3.887 4.120 -0.001 0.000 0.247 589 V C 1.866 177.956 176.094 -0.007 0.000 1.048 589 V CA 1.841 64.137 62.300 -0.008 0.000 1.049 589 V CB -0.156 31.662 31.823 -0.009 0.000 0.672 589 V HN 0.480 nan 8.190 nan 0.000 0.457 590 E N 0.680 120.855 120.200 -0.043 0.000 2.038 590 E HA -0.174 4.176 4.350 -0.001 0.000 0.195 590 E C -0.514 176.074 176.600 -0.019 0.000 1.000 590 E CA 1.720 58.094 56.400 -0.043 0.000 0.803 590 E CB -1.054 28.602 29.700 -0.072 0.000 0.750 590 E HN 0.559 nan 8.360 nan 0.000 0.448 591 P HA -0.032 nan 4.420 nan 0.000 0.245 591 P C 0.908 178.342 177.300 0.223 0.000 1.212 591 P CA 0.698 63.812 63.100 0.023 0.000 0.774 591 P CB 0.153 31.724 31.700 -0.215 0.000 0.999 592 M N -0.097 119.606 119.600 0.172 0.000 2.134 592 M HA -0.045 4.434 4.480 -0.001 0.000 0.262 592 M C 2.111 178.450 176.300 0.065 0.000 1.076 592 M CA 1.750 57.132 55.300 0.138 0.000 1.143 592 M CB -1.292 31.357 32.600 0.080 0.000 1.346 592 M HN 0.079 nan 8.290 nan 0.000 0.421 593 Q N -0.451 119.372 119.800 0.039 0.000 2.297 593 Q HA -0.097 4.242 4.340 -0.001 0.000 0.204 593 Q C 1.930 177.935 176.000 0.009 0.000 0.962 593 Q CA 1.835 57.647 55.803 0.015 0.000 0.879 593 Q CB -0.241 28.500 28.738 0.004 0.000 0.947 593 Q HN 0.675 nan 8.270 nan 0.000 0.462 594 T N -0.678 113.889 114.554 0.021 0.000 2.812 594 T HA -0.096 4.254 4.350 -0.001 0.000 0.264 594 T C 1.786 176.487 174.700 0.003 0.000 1.042 594 T CA 0.575 62.682 62.100 0.011 0.000 1.140 594 T CB -0.235 68.642 68.868 0.014 0.000 0.870 594 T HN 0.136 nan 8.240 nan 0.000 0.445 595 L N 2.255 123.497 121.223 0.032 0.000 2.141 595 L HA 0.144 4.484 4.340 -0.001 0.000 0.209 595 L C 2.160 178.991 176.870 -0.065 0.000 1.094 595 L CA 1.702 56.541 54.840 -0.001 0.000 0.763 595 L CB -1.254 40.831 42.059 0.043 0.000 0.908 595 L HN 0.325 nan 8.230 nan 0.000 0.437 596 N N -0.412 118.263 118.700 -0.043 0.000 2.080 596 N HA -0.201 4.538 4.740 -0.001 0.000 0.189 596 N C 1.479 176.947 175.510 -0.070 0.000 1.036 596 N CA 1.865 54.880 53.050 -0.059 0.000 0.846 596 N CB -0.143 38.325 38.487 -0.031 0.000 1.015 596 N HN 0.326 nan 8.380 nan 0.000 0.423 597 D N -0.645 119.725 120.400 -0.049 0.000 2.178 597 D HA -0.075 4.564 4.640 -0.001 0.000 0.202 597 D C 1.971 178.233 176.300 -0.063 0.000 0.974 597 D CA 0.521 54.492 54.000 -0.048 0.000 0.841 597 D CB -0.223 40.565 40.800 -0.020 0.000 0.953 597 D HN 0.136 nan 8.370 nan 0.000 0.478 598 V N 0.663 120.527 119.914 -0.084 0.000 2.283 598 V HA -0.152 3.967 4.120 -0.001 0.000 0.243 598 V C 2.543 178.574 176.094 -0.104 0.000 1.039 598 V CA 1.008 63.233 62.300 -0.124 0.000 1.016 598 V CB -0.382 31.365 31.823 -0.126 0.000 0.650 598 V HN 0.179 nan 8.190 nan 0.000 0.449 599 L N 0.121 121.260 121.223 -0.139 0.000 2.131 599 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 599 L C 2.672 179.468 176.870 -0.123 0.000 1.092 599 L CA 1.347 56.072 54.840 -0.191 0.000 0.759 599 L CB -0.730 41.099 42.059 -0.384 0.000 0.903 599 L HN 0.364 nan 8.230 nan 0.000 0.435 600 A N -0.434 122.322 122.820 -0.106 0.000 1.902 600 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 600 A C 2.237 179.778 177.584 -0.071 0.000 1.181 600 A CA 1.430 53.403 52.037 -0.107 0.000 0.623 600 A CB -0.360 18.566 19.000 -0.123 0.000 0.818 600 A HN 0.464 nan 8.150 nan 0.000 0.443 601 Q N -0.887 118.923 119.800 0.017 0.000 2.123 601 Q HA -0.037 4.302 4.340 -0.001 0.000 0.199 601 Q C 2.156 178.350 176.000 0.323 0.000 0.966 601 Q CA 1.243 57.170 55.803 0.206 0.000 0.845 601 Q CB -0.251 28.638 28.738 0.252 0.000 0.907 601 Q HN 0.712 nan 8.270 nan 0.000 0.439 602 L N 0.841 122.245 121.223 0.303 0.000 2.046 602 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 602 L C 1.957 178.841 176.870 0.024 0.000 1.077 602 L CA 1.533 56.556 54.840 0.306 0.000 0.747 602 L CB -0.108 42.128 42.059 0.295 0.000 0.896 602 L HN 0.189 nan 8.230 nan 0.000 0.432 603 D N -0.406 119.977 120.400 -0.028 0.000 2.178 603 D HA -0.135 4.504 4.640 -0.001 0.000 0.202 603 D C 2.055 178.283 176.300 -0.119 0.000 0.974 603 D CA 1.174 55.114 54.000 -0.101 0.000 0.841 603 D CB 0.219 40.957 40.800 -0.103 0.000 0.953 603 D HN 0.423 nan 8.370 nan 0.000 0.478 604 A N -0.263 122.525 122.820 -0.054 0.000 1.929 604 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 604 A C 2.465 180.114 177.584 0.109 0.000 1.176 604 A CA 1.140 53.157 52.037 -0.033 0.000 0.628 604 A CB -0.573 18.413 19.000 -0.024 0.000 0.816 604 A HN 0.183 nan 8.150 nan 0.000 0.444 605 V N -0.340 119.681 119.914 0.178 0.000 2.358 605 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 605 V C 2.575 178.592 176.094 -0.127 0.000 1.047 605 V CA 1.910 64.299 62.300 0.149 0.000 1.035 605 V CB -0.717 31.137 31.823 0.051 0.000 0.658 605 V HN 0.361 nan 8.190 nan 0.000 0.452 606 V N 1.152 120.842 119.914 -0.373 0.000 2.324 606 V HA -0.287 3.832 4.120 -0.001 0.000 0.250 606 V C 2.758 178.713 176.094 -0.231 0.000 1.060 606 V CA 2.464 64.488 62.300 -0.461 0.000 1.042 606 V CB -0.955 30.611 31.823 -0.428 0.000 0.650 606 V HN 0.796 nan 8.190 nan 0.000 0.450 607 S N 0.268 115.832 115.700 -0.227 0.000 2.353 607 S HA -0.242 4.227 4.470 -0.001 0.000 0.222 607 S C 1.915 176.404 174.600 -0.185 0.000 1.035 607 S CA 1.775 59.832 58.200 -0.239 0.000 1.025 607 S CB -0.946 62.026 63.200 -0.381 0.000 0.902 607 S HN 0.434 nan 8.310 nan 0.000 0.440 608 F N 2.743 122.663 119.950 -0.050 0.000 2.202 608 F HA 0.113 4.639 4.527 -0.001 0.000 0.301 608 F C 2.818 178.523 175.800 -0.158 0.000 1.082 608 F CA 0.499 58.458 58.000 -0.068 0.000 1.313 608 F CB -0.970 38.035 39.000 0.008 0.000 1.024 608 F HN 0.366 nan 8.300 nan 0.000 0.495 609 A N -1.387 121.437 122.820 0.007 0.000 2.016 609 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 609 A C 1.920 179.443 177.584 -0.101 0.000 1.162 609 A CA 1.516 53.489 52.037 -0.107 0.000 0.662 609 A CB -0.963 18.008 19.000 -0.049 0.000 0.812 609 A HN 0.494 nan 8.150 nan 0.000 0.450 610 H N -0.528 118.448 119.070 -0.155 0.000 2.372 610 H HA 0.011 4.566 4.556 -0.001 0.000 0.301 610 H C 1.706 176.932 175.328 -0.170 0.000 1.065 610 H CA 1.787 57.748 56.048 -0.146 0.000 1.364 610 H CB -0.012 29.667 29.762 -0.138 0.000 1.406 610 H HN 0.096 nan 8.280 nan 0.000 0.521 611 V N 0.664 120.436 119.914 -0.237 0.000 2.427 611 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 611 V C 2.612 178.389 176.094 -0.528 0.000 1.051 611 V CA 1.737 63.836 62.300 -0.335 0.000 1.048 611 V CB -0.770 30.916 31.823 -0.227 0.000 0.666 611 V HN 0.703 nan 8.190 nan 0.000 0.456 612 S N 1.133 116.502 115.700 -0.551 0.000 2.399 612 S HA -0.192 4.278 4.470 -0.001 0.000 0.231 612 S C 1.659 176.076 174.600 -0.305 0.000 1.022 612 S CA 1.746 59.545 58.200 -0.669 0.000 0.983 612 S CB -0.521 62.430 63.200 -0.414 0.000 0.803 612 S HN 0.613 nan 8.310 nan 0.000 0.480 613 N N 1.710 120.251 118.700 -0.266 0.000 2.409 613 N HA 0.204 4.943 4.740 -0.001 0.000 0.174 613 N C 1.801 177.205 175.510 -0.178 0.000 1.037 613 N CA 0.955 53.904 53.050 -0.169 0.000 0.898 613 N CB -0.863 37.534 38.487 -0.149 0.000 1.010 613 N HN 0.541 nan 8.380 nan 0.000 0.445 614 G N 0.136 108.757 108.800 -0.298 0.000 2.408 614 G HA2 0.050 4.009 3.960 -0.001 0.000 0.217 614 G HA3 0.050 4.009 3.960 -0.001 0.000 0.217 614 G C 0.530 175.356 174.900 -0.124 0.000 1.150 614 G CA 0.634 45.576 45.100 -0.263 0.000 0.776 614 G HN 0.447 nan 8.290 nan 0.000 0.542 615 A N 1.139 123.911 122.820 -0.080 0.000 2.371 615 A HA 0.572 4.891 4.320 -0.001 0.000 0.257 615 A C -1.993 175.628 177.584 0.062 0.000 1.089 615 A CA -1.171 50.888 52.037 0.036 0.000 0.794 615 A CB 0.282 19.395 19.000 0.187 0.000 1.029 615 A HN 0.190 nan 8.150 nan 0.000 0.488 616 P HA 0.215 nan 4.420 nan 0.000 0.263 616 P C -0.358 176.973 177.300 0.052 0.000 1.195 616 P CA 0.491 63.616 63.100 0.040 0.000 0.762 616 P CB 0.391 32.111 31.700 0.033 0.000 0.799 617 V N 3.145 123.087 119.914 0.047 0.000 4.190 617 V HA -0.178 3.941 4.120 -0.001 0.000 0.437 617 V C -2.055 174.089 176.094 0.083 0.000 0.680 617 V CA -0.560 61.768 62.300 0.046 0.000 1.799 617 V CB -1.939 29.900 31.823 0.026 0.000 2.188 617 V HN 0.645 nan 8.190 nan 0.000 0.488 618 P HA 0.015 nan 4.420 nan 0.000 0.268 618 P C -0.056 177.402 177.300 0.264 0.000 1.189 618 P CA 0.423 63.631 63.100 0.181 0.000 0.771 618 P CB 0.349 32.109 31.700 0.100 0.000 0.822 619 Y N -0.091 120.243 120.300 0.057 0.000 2.309 619 Y HA 0.298 4.847 4.550 -0.001 0.000 0.327 619 Y C 0.807 176.880 175.900 0.290 0.000 1.172 619 Y CA -0.807 57.375 58.100 0.137 0.000 1.280 619 Y CB 0.740 39.297 38.460 0.161 0.000 1.234 619 Y HN 0.014 nan 8.280 nan 0.000 0.512 620 V N 4.061 124.165 119.914 0.316 0.000 2.667 620 V HA 0.358 4.477 4.120 -0.001 0.000 0.308 620 V C -0.338 175.706 176.094 -0.084 0.000 1.048 620 V CA -1.340 61.090 62.300 0.216 0.000 0.928 620 V CB 1.765 33.631 31.823 0.072 0.000 1.004 620 V HN 0.761 nan 8.190 nan 0.000 0.444 621 R N 4.430 124.614 120.500 -0.527 0.000 2.489 621 R HA 0.338 4.678 4.340 -0.001 0.000 0.287 621 R C -2.516 173.542 176.300 -0.403 0.000 1.053 621 R CA -0.924 54.622 56.100 -0.923 0.000 1.036 621 R CB -0.028 29.619 30.300 -1.088 0.000 0.966 621 R HN 0.439 nan 8.270 nan 0.000 0.432 622 P HA 0.151 nan 4.420 nan 0.000 0.279 622 P C -0.991 176.202 177.300 -0.179 0.000 1.252 622 P CA -0.631 62.345 63.100 -0.207 0.000 0.811 622 P CB 1.275 32.865 31.700 -0.182 0.000 1.035 623 A N 2.911 125.653 122.820 -0.130 0.000 2.320 623 A HA 0.480 4.799 4.320 -0.001 0.000 0.287 623 A C 0.214 177.735 177.584 -0.104 0.000 1.181 623 A CA -0.640 51.334 52.037 -0.105 0.000 0.831 623 A CB -0.500 18.454 19.000 -0.076 0.000 1.102 623 A HN 0.473 nan 8.150 nan 0.000 0.513 624 I N 4.166 124.676 120.570 -0.100 0.000 2.328 624 I HA 0.255 4.425 4.170 -0.001 0.000 0.287 624 I C -0.113 175.960 176.117 -0.074 0.000 1.012 624 I CA 0.007 61.249 61.300 -0.096 0.000 1.195 624 I CB 0.817 38.754 38.000 -0.105 0.000 1.350 624 I HN 0.581 nan 8.210 nan 0.000 0.464 625 L N 4.574 125.756 121.223 -0.068 0.000 2.635 625 L HA 0.452 4.791 4.340 -0.001 0.000 0.250 625 L C 0.708 177.551 176.870 -0.045 0.000 1.117 625 L CA -1.075 53.736 54.840 -0.049 0.000 0.834 625 L CB 0.454 42.491 42.059 -0.036 0.000 1.544 625 L HN 0.452 nan 8.230 nan 0.000 0.511 626 E N 0.807 120.988 120.200 -0.031 0.000 2.408 626 E HA -0.008 4.341 4.350 -0.001 0.000 0.259 626 E C -0.471 176.114 176.600 -0.024 0.000 1.110 626 E CA -0.112 56.271 56.400 -0.027 0.000 0.929 626 E CB 0.437 30.126 29.700 -0.019 0.000 0.971 626 E HN 0.257 nan 8.360 nan 0.000 0.438 627 K N 0.755 121.138 120.400 -0.027 0.000 2.307 627 K HA 0.089 4.409 4.320 -0.001 0.000 0.285 627 K C 0.285 176.885 176.600 0.000 0.000 1.073 627 K CA 0.731 57.004 56.287 -0.023 0.000 0.996 627 K CB -0.644 31.836 32.500 -0.034 0.000 0.994 627 K HN 0.704 nan 8.250 nan 0.000 0.452 628 G N 3.555 112.374 108.800 0.032 0.000 2.289 628 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.280 628 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.280 628 G C 0.287 175.216 174.900 0.049 0.000 1.089 628 G CA 0.476 45.620 45.100 0.074 0.000 0.939 628 G HN 0.784 nan 8.290 nan 0.000 0.499 629 Q N -0.232 119.601 119.800 0.054 0.000 2.354 629 Q HA 0.374 4.714 4.340 -0.001 0.000 0.203 629 Q C 1.752 177.781 176.000 0.048 0.000 0.933 629 Q CA 1.146 56.968 55.803 0.031 0.000 0.901 629 Q CB 0.011 28.759 28.738 0.017 0.000 1.007 629 Q HN 1.937 nan 8.270 nan 0.000 0.495 630 G N 1.539 110.419 108.800 0.133 0.000 2.414 630 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.256 630 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.256 630 G C -0.482 174.533 174.900 0.191 0.000 1.128 630 G CA 0.212 45.407 45.100 0.160 0.000 0.944 630 G HN 0.266 nan 8.290 nan 0.000 0.500 631 R N 0.179 120.812 120.500 0.221 0.000 2.631 631 R HA 0.578 4.917 4.340 -0.001 0.000 0.289 631 R C -0.730 175.602 176.300 0.054 0.000 1.303 631 R CA -0.905 55.260 56.100 0.108 0.000 0.989 631 R CB 0.616 30.927 30.300 0.019 0.000 1.208 631 R HN 0.220 nan 8.270 nan 0.000 0.461 632 I N 6.858 127.491 120.570 0.105 0.000 2.437 632 I HA 0.359 4.528 4.170 -0.001 0.000 0.279 632 I C -0.515 175.641 176.117 0.064 0.000 1.028 632 I CA -0.591 60.729 61.300 0.032 0.000 1.142 632 I CB 1.564 39.521 38.000 -0.071 0.000 1.266 632 I HN 0.483 nan 8.210 nan 0.000 0.461 633 I N 7.310 127.871 120.570 -0.016 0.000 2.382 633 I HA 0.374 4.544 4.170 -0.001 0.000 0.285 633 I C -0.573 175.555 176.117 0.018 0.000 1.007 633 I CA -0.448 60.846 61.300 -0.009 0.000 1.142 633 I CB 1.396 39.379 38.000 -0.029 0.000 1.289 633 I HN 0.339 nan 8.210 nan 0.000 0.453 634 L N 6.857 128.108 121.223 0.046 0.000 2.324 634 L HA 0.471 4.811 4.340 -0.001 0.000 0.274 634 L C -0.103 176.799 176.870 0.053 0.000 1.012 634 L CA -0.520 54.337 54.840 0.028 0.000 0.859 634 L CB 1.162 43.232 42.059 0.018 0.000 1.224 634 L HN 0.510 nan 8.230 nan 0.000 0.429 635 K N 3.275 123.698 120.400 0.038 0.000 2.234 635 K HA 0.587 4.906 4.320 -0.001 0.000 0.277 635 K C 0.377 176.995 176.600 0.030 0.000 1.038 635 K CA -0.098 56.216 56.287 0.045 0.000 0.888 635 K CB 1.118 33.642 32.500 0.040 0.000 1.091 635 K HN 0.708 nan 8.250 nan 0.000 0.467 636 A N 2.574 125.420 122.820 0.043 0.000 2.429 636 A HA -0.143 4.176 4.320 -0.001 0.000 0.290 636 A C -0.027 177.578 177.584 0.036 0.000 1.439 636 A CA 0.796 52.859 52.037 0.043 0.000 0.731 636 A CB -2.254 16.762 19.000 0.027 0.000 1.138 636 A HN 0.734 nan 8.150 nan 0.000 0.384 637 S N 0.364 116.106 115.700 0.070 0.000 2.616 637 S HA 0.882 5.351 4.470 -0.001 0.000 0.277 637 S C 0.034 174.691 174.600 0.094 0.000 1.234 637 S CA -0.526 57.700 58.200 0.044 0.000 1.028 637 S CB 1.668 64.905 63.200 0.063 0.000 0.988 637 S HN 0.846 nan 8.310 nan 0.000 0.522 638 R N 0.358 120.817 120.500 -0.068 0.000 2.771 638 R HA 0.362 4.701 4.340 -0.001 0.000 0.274 638 R C -1.057 175.016 176.300 -0.378 0.000 0.987 638 R CA -0.812 55.115 56.100 -0.288 0.000 0.908 638 R CB 1.188 31.220 30.300 -0.447 0.000 1.213 638 R HN 0.795 nan 8.270 nan 0.000 0.468 639 H N 1.412 120.063 119.070 -0.699 0.000 2.800 639 H HA 0.150 4.706 4.556 -0.001 0.000 0.291 639 H C 0.623 175.725 175.328 -0.377 0.000 1.076 639 H CA 0.315 56.141 56.048 -0.370 0.000 1.452 639 H CB 1.555 31.197 29.762 -0.200 0.000 1.461 639 H HN 0.857 nan 8.280 nan 0.000 0.488 640 A N 4.000 126.611 122.820 -0.348 0.000 2.084 640 A HA -0.168 4.151 4.320 -0.001 0.000 0.221 640 A C 2.136 179.714 177.584 -0.010 0.000 1.161 640 A CA 1.640 53.593 52.037 -0.140 0.000 0.653 640 A CB -0.403 18.556 19.000 -0.067 0.000 0.802 640 A HN 0.773 nan 8.150 nan 0.000 0.457 641 C N -2.706 116.673 119.300 0.132 0.000 2.689 641 C HA 0.179 4.638 4.460 -0.001 0.000 0.336 641 C C 2.440 177.506 174.990 0.126 0.000 1.304 641 C CA 0.470 59.587 59.018 0.164 0.000 1.860 641 C CB -0.431 27.431 27.740 0.204 0.000 2.405 641 C HN 0.391 nan 8.230 nan 0.000 0.557 642 V N 1.505 121.509 119.914 0.151 0.000 2.719 642 V HA -0.138 3.981 4.120 -0.001 0.000 0.252 642 V C 2.447 178.556 176.094 0.024 0.000 1.065 642 V CA 1.818 64.123 62.300 0.008 0.000 1.086 642 V CB -0.711 31.069 31.823 -0.072 0.000 0.700 642 V HN 0.624 nan 8.190 nan 0.000 0.467 643 E N 0.596 120.727 120.200 -0.114 0.000 2.058 643 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 643 E C 2.079 178.678 176.600 -0.002 0.000 0.997 643 E CA 1.995 58.313 56.400 -0.138 0.000 0.801 643 E CB 0.030 29.567 29.700 -0.272 0.000 0.746 643 E HN 0.461 nan 8.360 nan 0.000 0.450 644 V N 0.980 120.894 119.914 0.001 0.000 2.535 644 V HA -0.135 3.985 4.120 -0.001 0.000 0.246 644 V C 1.379 177.485 176.094 0.019 0.000 1.045 644 V CA 0.789 63.098 62.300 0.015 0.000 1.058 644 V CB -0.543 31.288 31.823 0.014 0.000 0.689 644 V HN 0.370 nan 8.190 nan 0.000 0.461 645 Q N 1.442 121.254 119.800 0.021 0.000 2.955 645 Q HA -0.228 4.111 4.340 -0.001 0.000 0.361 645 Q C 0.972 176.981 176.000 0.016 0.000 1.060 645 Q CA 0.951 56.764 55.803 0.017 0.000 1.177 645 Q CB -0.219 28.527 28.738 0.013 0.000 0.991 645 Q HN 0.568 nan 8.270 nan 0.000 0.414 646 D N 3.373 123.780 120.400 0.012 0.000 4.078 646 D HA -0.314 4.325 4.640 -0.001 0.000 0.196 646 D C -0.840 175.467 176.300 0.013 0.000 0.717 646 D CA 2.427 56.434 54.000 0.011 0.000 0.950 646 D CB -0.260 40.545 40.800 0.009 0.000 0.423 646 D HN 0.820 nan 8.370 nan 0.000 0.373 647 E N -0.170 120.038 120.200 0.012 0.000 2.914 647 E HA 0.505 4.854 4.350 -0.001 0.000 0.246 647 E C -0.815 175.792 176.600 0.012 0.000 1.146 647 E CA -0.124 56.285 56.400 0.014 0.000 0.803 647 E CB 0.849 30.556 29.700 0.012 0.000 1.409 647 E HN 0.270 nan 8.360 nan 0.000 0.392 648 I N 1.704 122.284 120.570 0.016 0.000 2.468 648 I HA 0.335 4.505 4.170 -0.001 0.000 0.284 648 I C -0.037 176.094 176.117 0.023 0.000 1.038 648 I CA -0.912 60.388 61.300 0.001 0.000 1.083 648 I CB 1.855 39.841 38.000 -0.022 0.000 1.223 648 I HN 0.371 nan 8.210 nan 0.000 0.443 649 A N 6.803 129.629 122.820 0.009 0.000 2.545 649 A HA 0.196 4.515 4.320 -0.001 0.000 0.297 649 A C -0.393 177.200 177.584 0.015 0.000 1.340 649 A CA 0.080 52.135 52.037 0.029 0.000 1.016 649 A CB -0.532 18.479 19.000 0.018 0.000 1.122 649 A HN 0.599 nan 8.150 nan 0.000 0.537 650 F N 2.988 122.895 119.950 -0.071 0.000 2.538 650 F HA 0.339 4.866 4.527 -0.001 0.000 0.371 650 F C 0.307 176.073 175.800 -0.058 0.000 1.087 650 F CA 0.048 57.992 58.000 -0.093 0.000 1.250 650 F CB 0.424 39.385 39.000 -0.065 0.000 1.110 650 F HN 0.467 nan 8.300 nan 0.000 0.570 651 I N 8.455 128.756 120.570 -0.448 0.000 2.307 651 I HA 0.247 4.416 4.170 -0.001 0.000 0.289 651 I C -2.168 173.867 176.117 -0.135 0.000 1.021 651 I CA -2.113 59.067 61.300 -0.199 0.000 1.224 651 I CB 0.891 38.790 38.000 -0.167 0.000 1.376 651 I HN 0.423 nan 8.210 nan 0.000 0.470 652 P HA 0.112 nan 4.420 nan 0.000 0.267 652 P C -0.951 176.405 177.300 0.093 0.000 1.200 652 P CA -0.011 63.208 63.100 0.199 0.000 0.772 652 P CB 0.539 32.320 31.700 0.135 0.000 0.855 653 N N 1.065 119.851 118.700 0.142 0.000 2.405 653 N HA 0.371 5.110 4.740 -0.001 0.000 0.285 653 N C -1.255 174.336 175.510 0.135 0.000 1.262 653 N CA -0.525 52.571 53.050 0.076 0.000 0.773 653 N CB 1.178 39.672 38.487 0.012 0.000 1.490 653 N HN 0.267 nan 8.380 nan 0.000 0.486 654 D N 0.146 120.603 120.400 0.096 0.000 2.192 654 D HA 0.472 5.111 4.640 -0.001 0.000 0.246 654 D C -0.496 175.918 176.300 0.190 0.000 1.042 654 D CA -0.204 53.868 54.000 0.120 0.000 0.847 654 D CB 1.923 42.763 40.800 0.066 0.000 1.186 654 D HN 0.010 nan 8.370 nan 0.000 0.461 655 V N 2.380 122.385 119.914 0.152 0.000 2.555 655 V HA 0.432 4.551 4.120 -0.001 0.000 0.302 655 V C -1.095 175.044 176.094 0.075 0.000 1.038 655 V CA -0.852 61.488 62.300 0.066 0.000 0.887 655 V CB 1.598 33.432 31.823 0.018 0.000 0.991 655 V HN 0.472 nan 8.190 nan 0.000 0.434 656 Y N 4.232 124.390 120.300 -0.238 0.000 2.421 656 Y HA 0.741 5.290 4.550 -0.001 0.000 0.339 656 Y C -1.575 174.180 175.900 -0.241 0.000 0.996 656 Y CA -1.042 56.990 58.100 -0.114 0.000 1.046 656 Y CB 1.931 40.377 38.460 -0.023 0.000 1.226 656 Y HN 0.543 nan 8.280 nan 0.000 0.445 657 F N 4.244 124.107 119.950 -0.146 0.000 2.730 657 F HA 0.468 4.994 4.527 -0.001 0.000 0.335 657 F C -0.622 175.107 175.800 -0.118 0.000 1.212 657 F CA -0.707 57.335 58.000 0.069 0.000 1.016 657 F CB 1.840 41.040 39.000 0.333 0.000 1.290 657 F HN 0.405 nan 8.300 nan 0.000 0.495 658 E N 2.063 122.325 120.200 0.103 0.000 2.366 658 E HA 0.320 4.670 4.350 -0.001 0.000 0.278 658 E C -1.107 175.533 176.600 0.067 0.000 0.923 658 E CA -1.270 55.156 56.400 0.044 0.000 0.761 658 E CB 2.774 32.469 29.700 -0.007 0.000 1.231 658 E HN 0.395 nan 8.360 nan 0.000 0.443 659 K N 1.694 122.107 120.400 0.021 0.000 2.489 659 K HA -0.061 4.258 4.320 -0.001 0.000 0.278 659 K C -0.333 176.277 176.600 0.018 0.000 1.000 659 K CA 0.612 56.894 56.287 -0.009 0.000 1.012 659 K CB 0.204 32.692 32.500 -0.021 0.000 0.903 659 K HN 0.517 nan 8.250 nan 0.000 0.485 660 D N 0.862 121.263 120.400 0.002 0.000 2.628 660 D HA -0.240 4.399 4.640 -0.001 0.000 0.161 660 D C 0.754 177.073 176.300 0.032 0.000 1.667 660 D CA 2.039 56.044 54.000 0.008 0.000 1.663 660 D CB -0.501 40.302 40.800 0.005 0.000 1.324 660 D HN 0.460 nan 8.370 nan 0.000 0.418 661 K N -0.142 120.301 120.400 0.071 0.000 2.015 661 K HA 0.152 4.472 4.320 -0.001 0.000 0.215 661 K C 0.595 177.258 176.600 0.106 0.000 1.027 661 K CA 1.031 57.382 56.287 0.107 0.000 0.960 661 K CB 0.105 32.724 32.500 0.198 0.000 0.798 661 K HN 0.096 nan 8.250 nan 0.000 0.447 662 Q N 0.043 119.954 119.800 0.185 0.000 2.327 662 Q HA 0.301 4.640 4.340 -0.001 0.000 0.270 662 Q C -0.056 176.032 176.000 0.146 0.000 1.022 662 Q CA -0.021 55.855 55.803 0.122 0.000 0.773 662 Q CB 2.024 30.911 28.738 0.248 0.000 1.251 662 Q HN 0.294 nan 8.270 nan 0.000 0.457 663 M N 0.821 120.475 119.600 0.089 0.000 2.180 663 M HA 0.278 4.757 4.480 -0.001 0.000 0.289 663 M C -0.450 176.046 176.300 0.326 0.000 1.089 663 M CA 0.256 55.709 55.300 0.255 0.000 1.120 663 M CB 0.749 33.403 32.600 0.090 0.000 1.864 663 M HN 0.458 nan 8.290 nan 0.000 0.636 664 F N 1.491 121.409 119.950 -0.054 0.000 2.495 664 F HA 0.463 4.989 4.527 -0.001 0.000 0.327 664 F C -0.515 175.151 175.800 -0.223 0.000 1.103 664 F CA -0.532 57.469 58.000 0.001 0.000 0.949 664 F CB 1.069 40.065 39.000 -0.006 0.000 1.142 664 F HN 0.032 nan 8.300 nan 0.000 0.457 665 H N 7.313 126.308 119.070 -0.125 0.000 2.823 665 H HA 0.404 4.959 4.556 -0.001 0.000 0.332 665 H C -0.755 174.581 175.328 0.014 0.000 0.980 665 H CA -0.472 55.585 56.048 0.014 0.000 1.286 665 H CB 1.848 31.611 29.762 0.002 0.000 1.541 665 H HN 0.487 nan 8.280 nan 0.000 0.521 666 I N 5.404 126.128 120.570 0.256 0.000 2.304 666 I HA 0.230 4.399 4.170 -0.001 0.000 0.291 666 I C 0.210 176.416 176.117 0.149 0.000 1.018 666 I CA -0.306 61.121 61.300 0.211 0.000 1.260 666 I CB 0.881 39.044 38.000 0.271 0.000 1.390 666 I HN 0.320 nan 8.210 nan 0.000 0.475 667 I N 6.117 126.734 120.570 0.079 0.000 2.362 667 I HA 0.325 4.494 4.170 -0.001 0.000 0.289 667 I C -0.235 175.915 176.117 0.055 0.000 0.994 667 I CA -0.248 61.107 61.300 0.091 0.000 1.158 667 I CB 1.635 39.703 38.000 0.114 0.000 1.315 667 I HN 0.478 nan 8.210 nan 0.000 0.451 668 T N 4.199 118.810 114.554 0.095 0.000 2.829 668 T HA 0.794 5.143 4.350 -0.001 0.000 0.280 668 T C 0.050 174.816 174.700 0.110 0.000 0.999 668 T CA -0.772 61.383 62.100 0.092 0.000 0.983 668 T CB 2.033 70.964 68.868 0.105 0.000 0.968 668 T HN 0.904 nan 8.240 nan 0.000 0.446 669 G N 2.623 111.473 108.800 0.083 0.000 2.523 669 G HA2 0.671 4.630 3.960 -0.001 0.000 0.291 669 G HA3 0.671 4.630 3.960 -0.001 0.000 0.291 669 G C -3.242 171.674 174.900 0.028 0.000 1.450 669 G CA -1.064 44.069 45.100 0.056 0.000 0.790 669 G HN 0.532 nan 8.290 nan 0.000 0.496 670 P HA 0.144 nan 4.420 nan 0.000 0.274 670 P C -0.321 176.938 177.300 -0.069 0.000 1.237 670 P CA -0.541 62.522 63.100 -0.061 0.000 0.793 670 P CB 0.908 32.437 31.700 -0.285 0.000 0.977 671 N N 2.228 120.909 118.700 -0.031 0.000 2.440 671 N HA 0.016 4.756 4.740 -0.001 0.000 0.265 671 N C 0.582 176.064 175.510 -0.046 0.000 1.239 671 N CA 0.259 53.295 53.050 -0.023 0.000 0.909 671 N CB -0.091 38.393 38.487 -0.005 0.000 1.066 671 N HN 0.455 nan 8.380 nan 0.000 0.474 672 M N 1.312 120.896 119.600 -0.027 0.000 3.056 672 M HA -0.163 4.316 4.480 -0.001 0.000 0.224 672 M C 1.094 177.364 176.300 -0.050 0.000 0.551 672 M CA 0.645 55.938 55.300 -0.011 0.000 0.855 672 M CB -1.610 30.979 32.600 -0.019 0.000 3.042 672 M HN 0.677 nan 8.290 nan 0.000 0.310 673 G N 0.085 108.826 108.800 -0.098 0.000 2.418 673 G HA2 0.231 4.190 3.960 -0.001 0.000 0.217 673 G HA3 0.231 4.190 3.960 -0.001 0.000 0.217 673 G C 1.141 176.025 174.900 -0.027 0.000 1.158 673 G CA 1.316 46.315 45.100 -0.169 0.000 0.771 673 G HN 1.248 nan 8.290 nan 0.000 0.545 674 G N -0.717 108.125 108.800 0.071 0.000 2.186 674 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.130 674 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.130 674 G C 0.812 175.780 174.900 0.112 0.000 1.031 674 G CA 0.563 45.745 45.100 0.136 0.000 0.697 674 G HN 0.511 nan 8.290 nan 0.000 0.494 675 K N 0.244 120.698 120.400 0.090 0.000 2.021 675 K HA 0.068 4.387 4.320 -0.001 0.000 0.205 675 K C 2.509 179.198 176.600 0.148 0.000 1.047 675 K CA 1.430 57.791 56.287 0.123 0.000 0.943 675 K CB -0.181 32.367 32.500 0.080 0.000 0.725 675 K HN 0.224 nan 8.250 nan 0.000 0.439 676 S N 0.759 116.521 115.700 0.104 0.000 2.419 676 S HA -0.093 4.377 4.470 -0.001 0.000 0.233 676 S C 1.888 176.546 174.600 0.097 0.000 1.016 676 S CA 1.467 59.722 58.200 0.092 0.000 0.974 676 S CB -0.228 63.011 63.200 0.065 0.000 0.786 676 S HN 0.333 nan 8.310 nan 0.000 0.492 677 T N 0.505 115.126 114.554 0.111 0.000 2.851 677 T HA -0.021 4.329 4.350 -0.001 0.000 0.262 677 T C 1.558 176.395 174.700 0.228 0.000 1.043 677 T CA 0.900 63.069 62.100 0.115 0.000 1.140 677 T CB -0.382 68.543 68.868 0.095 0.000 0.872 677 T HN 0.512 nan 8.240 nan 0.000 0.446 678 Y N 2.823 123.188 120.300 0.108 0.000 2.242 678 Y HA -0.035 4.514 4.550 -0.001 0.000 0.291 678 Y C 1.994 177.951 175.900 0.094 0.000 1.137 678 Y CA 0.788 58.953 58.100 0.108 0.000 1.181 678 Y CB -0.536 37.958 38.460 0.056 0.000 0.989 678 Y HN 0.352 nan 8.280 nan 0.000 0.527 679 I N -1.959 118.601 120.570 -0.017 0.000 2.617 679 I HA -0.051 4.118 4.170 -0.001 0.000 0.256 679 I C 1.909 178.003 176.117 -0.039 0.000 1.167 679 I CA 1.154 62.396 61.300 -0.096 0.000 1.469 679 I CB -0.399 37.618 38.000 0.028 0.000 1.098 679 I HN -0.005 nan 8.210 nan 0.000 0.436 680 R N 1.213 121.741 120.500 0.047 0.000 2.280 680 R HA 0.033 4.373 4.340 -0.001 0.000 0.195 680 R C 2.204 178.568 176.300 0.107 0.000 0.935 680 R CA 0.737 56.889 56.100 0.087 0.000 1.033 680 R CB -0.064 30.315 30.300 0.131 0.000 0.964 680 R HN 0.644 nan 8.270 nan 0.000 0.489 681 Q N -0.162 119.719 119.800 0.135 0.000 2.331 681 Q HA 0.014 4.353 4.340 -0.001 0.000 0.203 681 Q C 0.886 176.829 176.000 -0.095 0.000 0.944 681 Q CA 1.252 57.084 55.803 0.049 0.000 0.892 681 Q CB 0.059 28.905 28.738 0.180 0.000 0.983 681 Q HN -0.017 nan 8.270 nan 0.000 0.482 682 T N 0.853 115.337 114.554 -0.116 0.000 2.812 682 T HA -0.014 4.335 4.350 -0.001 0.000 0.264 682 T C 1.853 176.478 174.700 -0.125 0.000 1.042 682 T CA 1.147 63.167 62.100 -0.133 0.000 1.140 682 T CB -0.403 68.377 68.868 -0.146 0.000 0.870 682 T HN 0.604 nan 8.240 nan 0.000 0.445 683 G N 0.912 109.651 108.800 -0.101 0.000 2.443 683 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.219 683 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.219 683 G C 1.619 176.455 174.900 -0.106 0.000 1.131 683 G CA 0.579 45.622 45.100 -0.094 0.000 0.775 683 G HN 0.422 nan 8.290 nan 0.000 0.547 684 V N 0.855 120.689 119.914 -0.132 0.000 2.346 684 V HA -0.032 4.087 4.120 -0.001 0.000 0.244 684 V C 2.726 178.728 176.094 -0.153 0.000 1.037 684 V CA 1.115 63.313 62.300 -0.170 0.000 1.029 684 V CB -0.307 31.326 31.823 -0.316 0.000 0.663 684 V HN 0.354 nan 8.190 nan 0.000 0.454 685 I N -0.176 120.298 120.570 -0.160 0.000 2.163 685 I HA -0.225 3.945 4.170 -0.001 0.000 0.243 685 I C 2.407 178.443 176.117 -0.135 0.000 1.085 685 I CA 1.332 62.548 61.300 -0.140 0.000 1.347 685 I CB -0.375 37.543 38.000 -0.137 0.000 1.044 685 I HN 0.138 nan 8.210 nan 0.000 0.408 686 V N 0.840 120.663 119.914 -0.152 0.000 2.332 686 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 686 V C 2.319 178.325 176.094 -0.147 0.000 1.055 686 V CA 1.800 63.995 62.300 -0.176 0.000 1.038 686 V CB -0.417 31.268 31.823 -0.230 0.000 0.651 686 V HN 0.409 nan 8.190 nan 0.000 0.450 687 L N -1.103 120.046 121.223 -0.123 0.000 2.027 687 L HA -0.170 4.169 4.340 -0.001 0.000 0.206 687 L C 2.439 179.256 176.870 -0.089 0.000 1.074 687 L CA 1.678 56.461 54.840 -0.094 0.000 0.745 687 L CB -0.137 41.877 42.059 -0.076 0.000 0.898 687 L HN 0.260 nan 8.230 nan 0.000 0.433 688 M N -0.862 118.686 119.600 -0.087 0.000 2.267 688 M HA -0.203 4.277 4.480 -0.001 0.000 0.263 688 M C 2.243 178.478 176.300 -0.108 0.000 1.063 688 M CA 1.607 56.864 55.300 -0.071 0.000 1.090 688 M CB -0.448 32.135 32.600 -0.029 0.000 1.392 688 M HN 0.422 nan 8.290 nan 0.000 0.422 689 A N -0.137 122.610 122.820 -0.122 0.000 1.969 689 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 689 A C 1.793 179.280 177.584 -0.160 0.000 1.169 689 A CA 1.142 53.092 52.037 -0.146 0.000 0.635 689 A CB -0.387 18.524 19.000 -0.148 0.000 0.810 689 A HN 0.581 nan 8.150 nan 0.000 0.445 690 Q N -0.819 118.895 119.800 -0.143 0.000 2.222 690 Q HA 0.332 4.671 4.340 -0.001 0.000 0.206 690 Q C 0.586 176.495 176.000 -0.150 0.000 0.877 690 Q CA -0.020 55.701 55.803 -0.137 0.000 0.958 690 Q CB 0.176 28.852 28.738 -0.105 0.000 1.075 690 Q HN 0.735 nan 8.270 nan 0.000 0.483 691 I N -1.137 119.317 120.570 -0.193 0.000 4.057 691 I HA 0.189 4.359 4.170 -0.001 0.000 0.334 691 I C 0.898 176.749 176.117 -0.442 0.000 1.308 691 I CA 0.066 61.224 61.300 -0.237 0.000 1.125 691 I CB 0.694 38.602 38.000 -0.154 0.000 1.034 691 I HN 0.235 nan 8.210 nan 0.000 0.401 692 G N 1.938 110.510 108.800 -0.381 0.000 2.204 692 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 692 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 692 G C -0.166 174.463 174.900 -0.452 0.000 1.062 692 G CA 0.093 44.963 45.100 -0.384 0.000 0.798 692 G HN 0.426 nan 8.290 nan 0.000 0.496 693 C N -0.443 118.613 119.300 -0.407 0.000 2.614 693 C HA 0.849 5.309 4.460 -0.001 0.000 0.320 693 C C 0.600 175.603 174.990 0.022 0.000 1.200 693 C CA -1.535 57.296 59.018 -0.311 0.000 1.700 693 C CB 0.467 27.916 27.740 -0.485 0.000 2.275 693 C HN 0.401 nan 8.230 nan 0.000 0.492 694 F N 2.990 122.912 119.950 -0.047 0.000 2.506 694 F HA 0.388 4.915 4.527 -0.001 0.000 0.351 694 F C 0.734 176.649 175.800 0.192 0.000 1.136 694 F CA 0.304 58.347 58.000 0.072 0.000 1.298 694 F CB 0.751 39.826 39.000 0.126 0.000 1.145 694 F HN 0.315 nan 8.300 nan 0.000 0.593 695 V N 5.204 125.229 119.914 0.186 0.000 2.472 695 V HA 0.279 4.398 4.120 -0.001 0.000 0.290 695 V C -1.856 174.132 176.094 -0.176 0.000 1.037 695 V CA -1.704 60.612 62.300 0.027 0.000 0.908 695 V CB 1.750 33.524 31.823 -0.082 0.000 0.985 695 V HN 0.517 nan 8.190 nan 0.000 0.454 696 P HA 0.182 nan 4.420 nan 0.000 0.231 696 P C -0.493 176.563 177.300 -0.407 0.000 1.756 696 P CA 0.215 62.734 63.100 -0.968 0.000 0.990 696 P CB -0.145 30.895 31.700 -1.100 0.000 1.973 697 C N 0.065 119.228 119.300 -0.229 0.000 3.318 697 C HA 0.296 4.755 4.460 -0.001 0.000 0.329 697 C C 1.910 176.866 174.990 -0.056 0.000 1.449 697 C CA -0.435 58.515 59.018 -0.114 0.000 1.397 697 C CB 2.235 29.924 27.740 -0.084 0.000 1.810 697 C HN 0.304 nan 8.230 nan 0.000 0.449 698 E N 0.258 120.442 120.200 -0.026 0.000 2.216 698 E HA 0.070 4.420 4.350 -0.001 0.000 0.192 698 E C 0.270 176.867 176.600 -0.005 0.000 0.973 698 E CA 0.682 57.080 56.400 -0.004 0.000 0.851 698 E CB 0.462 30.165 29.700 0.006 0.000 0.804 698 E HN 0.491 nan 8.360 nan 0.000 0.477 699 S N -0.273 115.418 115.700 -0.015 0.000 2.592 699 S HA 0.583 5.052 4.470 -0.001 0.000 0.275 699 S C -1.826 172.756 174.600 -0.030 0.000 1.169 699 S CA -0.589 57.599 58.200 -0.020 0.000 0.958 699 S CB 1.445 64.642 63.200 -0.005 0.000 1.095 699 S HN 0.141 nan 8.310 nan 0.000 0.471 700 A N 4.139 126.928 122.820 -0.052 0.000 2.359 700 A HA 0.789 5.109 4.320 -0.001 0.000 0.303 700 A C -0.906 176.635 177.584 -0.071 0.000 1.066 700 A CA -0.636 51.364 52.037 -0.062 0.000 0.730 700 A CB 1.209 20.158 19.000 -0.085 0.000 1.211 700 A HN 0.753 nan 8.150 nan 0.000 0.439 701 E N 1.467 121.632 120.200 -0.059 0.000 2.155 701 E HA 0.525 4.874 4.350 -0.001 0.000 0.264 701 E C -1.341 175.210 176.600 -0.081 0.000 0.886 701 E CA -0.615 55.746 56.400 -0.065 0.000 0.752 701 E CB 2.286 31.959 29.700 -0.045 0.000 1.133 701 E HN 0.355 nan 8.360 nan 0.000 0.414 702 V N 2.313 122.164 119.914 -0.105 0.000 2.531 702 V HA 0.265 4.384 4.120 -0.001 0.000 0.301 702 V C -0.246 175.765 176.094 -0.138 0.000 1.034 702 V CA -0.801 61.412 62.300 -0.144 0.000 0.865 702 V CB 2.052 33.776 31.823 -0.165 0.000 0.995 702 V HN 0.589 nan 8.190 nan 0.000 0.424 703 S N 4.980 120.584 115.700 -0.160 0.000 2.499 703 S HA 0.567 5.037 4.470 -0.001 0.000 0.279 703 S C 0.122 174.629 174.600 -0.155 0.000 1.219 703 S CA -0.442 57.693 58.200 -0.108 0.000 1.062 703 S CB 0.763 63.959 63.200 -0.007 0.000 0.978 703 S HN 0.557 nan 8.310 nan 0.000 0.489 704 I N 3.201 123.707 120.570 -0.105 0.000 2.828 704 I HA -0.025 4.144 4.170 -0.001 0.000 0.292 704 I C -0.005 176.055 176.117 -0.095 0.000 1.206 704 I CA 0.013 61.250 61.300 -0.105 0.000 1.420 704 I CB -0.179 37.774 38.000 -0.078 0.000 1.368 704 I HN 0.212 nan 8.210 nan 0.000 0.556 705 V N 6.484 126.320 119.914 -0.129 0.000 2.567 705 V HA 0.021 4.140 4.120 -0.001 0.000 0.289 705 V C 0.976 177.039 176.094 -0.051 0.000 1.049 705 V CA -0.142 62.094 62.300 -0.106 0.000 0.969 705 V CB 1.621 33.329 31.823 -0.192 0.000 0.995 705 V HN 0.768 nan 8.190 nan 0.000 0.471 706 D N 1.978 122.370 120.400 -0.013 0.000 2.117 706 D HA -0.051 4.588 4.640 -0.001 0.000 0.198 706 D C 0.403 176.699 176.300 -0.007 0.000 0.982 706 D CA 1.425 55.419 54.000 -0.010 0.000 0.828 706 D CB 0.226 41.029 40.800 0.004 0.000 0.967 706 D HN 0.812 nan 8.370 nan 0.000 0.464 707 C N -0.957 118.341 119.300 -0.003 0.000 3.199 707 C HA 0.545 5.005 4.460 -0.001 0.000 0.392 707 C C -0.526 174.461 174.990 -0.006 0.000 1.050 707 C CA -1.510 57.510 59.018 0.003 0.000 1.222 707 C CB -0.104 27.649 27.740 0.022 0.000 1.595 707 C HN 0.106 nan 8.230 nan 0.000 0.560 708 I N 3.293 123.855 120.570 -0.013 0.000 2.287 708 I HA 0.379 4.548 4.170 -0.001 0.000 0.290 708 I C -0.183 175.936 176.117 0.004 0.000 1.069 708 I CA 0.031 61.318 61.300 -0.021 0.000 1.237 708 I CB 0.501 38.477 38.000 -0.040 0.000 1.418 708 I HN 0.537 nan 8.210 nan 0.000 0.481 709 L N 6.072 127.303 121.223 0.013 0.000 2.334 709 L HA 0.903 5.242 4.340 -0.001 0.000 0.275 709 L C 0.056 176.943 176.870 0.028 0.000 1.036 709 L CA -0.591 54.263 54.840 0.024 0.000 0.807 709 L CB 1.769 43.846 42.059 0.030 0.000 1.231 709 L HN 0.639 nan 8.230 nan 0.000 0.438 710 A N 2.089 124.930 122.820 0.033 0.000 2.574 710 A HA 0.790 5.109 4.320 -0.001 0.000 0.297 710 A C -1.405 176.207 177.584 0.046 0.000 1.062 710 A CA -0.660 51.403 52.037 0.043 0.000 0.686 710 A CB 1.994 21.020 19.000 0.044 0.000 1.285 710 A HN 0.630 nan 8.150 nan 0.000 0.403 711 R N 1.101 121.638 120.500 0.060 0.000 2.371 711 R HA 0.641 4.980 4.340 -0.001 0.000 0.312 711 R C -2.197 174.157 176.300 0.089 0.000 0.980 711 R CA -0.328 55.810 56.100 0.063 0.000 0.867 711 R CB 0.616 30.947 30.300 0.052 0.000 1.163 711 R HN 0.601 nan 8.270 nan 0.000 0.492 712 V N 3.746 123.705 119.914 0.076 0.000 2.623 712 V HA 0.823 4.943 4.120 -0.001 0.000 0.304 712 V C 0.301 176.436 176.094 0.068 0.000 1.054 712 V CA -0.421 61.928 62.300 0.082 0.000 0.882 712 V CB 1.821 33.688 31.823 0.073 0.000 1.002 712 V HN 0.844 nan 8.190 nan 0.000 0.424 724 T N -1.150 113.479 114.554 0.126 0.000 3.144 724 T HA 0.292 4.641 4.350 -0.001 0.000 0.249 724 T C 0.574 175.392 174.700 0.197 0.000 1.089 724 T CA 0.055 62.232 62.100 0.129 0.000 0.989 724 T CB -0.489 68.445 68.868 0.110 0.000 0.992 724 T HN 0.623 nan 8.240 nan 0.000 0.540 725 F N 0.449 120.430 119.950 0.052 0.000 2.667 725 F HA 0.462 4.988 4.527 -0.001 0.000 0.288 725 F C 1.831 177.663 175.800 0.054 0.000 1.086 725 F CA -0.339 57.698 58.000 0.061 0.000 1.297 725 F CB 0.238 39.279 39.000 0.067 0.000 1.059 725 F HN -0.052 nan 8.300 nan 0.000 0.624 726 M N 0.527 120.177 119.600 0.083 0.000 2.132 726 M HA -0.056 4.423 4.480 -0.001 0.000 0.263 726 M C 2.478 178.739 176.300 -0.064 0.000 1.065 726 M CA 1.611 56.910 55.300 -0.003 0.000 1.122 726 M CB -1.666 30.969 32.600 0.059 0.000 1.365 726 M HN 0.268 nan 8.290 nan 0.000 0.411 727 A N -0.483 122.321 122.820 -0.027 0.000 1.972 727 A HA -0.189 4.131 4.320 -0.001 0.000 0.219 727 A C 2.109 179.654 177.584 -0.065 0.000 1.169 727 A CA 1.822 53.844 52.037 -0.025 0.000 0.635 727 A CB -0.723 18.282 19.000 0.009 0.000 0.810 727 A HN 0.609 nan 8.150 nan 0.000 0.446 728 E N -1.282 118.844 120.200 -0.123 0.000 2.208 728 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 728 E C 1.699 178.154 176.600 -0.242 0.000 0.988 728 E CA 0.949 57.249 56.400 -0.166 0.000 0.828 728 E CB -0.050 29.533 29.700 -0.196 0.000 0.763 728 E HN 0.469 nan 8.360 nan 0.000 0.478 729 M N -0.106 119.303 119.600 -0.318 0.000 2.429 729 M HA 0.047 4.526 4.480 -0.001 0.000 0.265 729 M C 2.258 178.475 176.300 -0.138 0.000 1.120 729 M CA 0.658 55.798 55.300 -0.267 0.000 1.173 729 M CB -0.650 31.755 32.600 -0.325 0.000 1.343 729 M HN 0.173 nan 8.290 nan 0.000 0.464 730 L N 0.104 121.266 121.223 -0.101 0.000 2.042 730 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 730 L C 2.481 179.323 176.870 -0.047 0.000 1.076 730 L CA 1.431 56.236 54.840 -0.059 0.000 0.749 730 L CB -0.537 41.501 42.059 -0.034 0.000 0.893 730 L HN 0.399 nan 8.230 nan 0.000 0.432 731 E N -0.259 119.914 120.200 -0.045 0.000 2.107 731 E HA -0.200 4.149 4.350 -0.001 0.000 0.191 731 E C 2.057 178.640 176.600 -0.028 0.000 0.982 731 E CA 1.649 58.035 56.400 -0.024 0.000 0.809 731 E CB 0.123 29.815 29.700 -0.013 0.000 0.756 731 E HN 0.554 nan 8.360 nan 0.000 0.459 732 T N -1.698 112.827 114.554 -0.050 0.000 2.951 732 T HA 0.074 4.423 4.350 -0.001 0.000 0.268 732 T C 1.868 176.537 174.700 -0.050 0.000 1.073 732 T CA 0.795 62.866 62.100 -0.049 0.000 1.134 732 T CB -0.018 68.806 68.868 -0.073 0.000 0.884 732 T HN 0.186 nan 8.240 nan 0.000 0.479 733 A N 1.175 123.958 122.820 -0.061 0.000 1.970 733 A HA 0.152 4.471 4.320 -0.001 0.000 0.216 733 A C 2.596 180.158 177.584 -0.036 0.000 1.170 733 A CA 1.445 53.445 52.037 -0.062 0.000 0.645 733 A CB -0.904 18.055 19.000 -0.069 0.000 0.816 733 A HN 0.511 nan 8.150 nan 0.000 0.447 734 S N -0.592 115.093 115.700 -0.025 0.000 2.414 734 S HA -0.002 4.467 4.470 -0.001 0.000 0.227 734 S C 1.823 176.428 174.600 0.008 0.000 1.022 734 S CA 0.991 59.186 58.200 -0.009 0.000 0.958 734 S CB -0.432 62.767 63.200 -0.002 0.000 0.797 734 S HN 0.494 nan 8.310 nan 0.000 0.493 735 I N 0.651 121.226 120.570 0.008 0.000 2.333 735 I HA -0.066 4.103 4.170 -0.001 0.000 0.246 735 I C 2.177 178.316 176.117 0.036 0.000 1.106 735 I CA 0.560 61.874 61.300 0.023 0.000 1.411 735 I CB -0.257 37.755 38.000 0.020 0.000 1.082 735 I HN 0.288 nan 8.210 nan 0.000 0.420 736 L N 0.807 122.048 121.223 0.030 0.000 2.079 736 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 736 L C 1.974 178.901 176.870 0.095 0.000 1.081 736 L CA 1.889 56.770 54.840 0.068 0.000 0.752 736 L CB -0.448 41.614 42.059 0.003 0.000 0.896 736 L HN 0.095 nan 8.230 nan 0.000 0.433 737 R N -1.934 118.596 120.500 0.050 0.000 2.586 737 R HA 0.233 4.572 4.340 -0.001 0.000 0.306 737 R C 0.740 177.067 176.300 0.045 0.000 1.079 737 R CA 0.321 56.452 56.100 0.053 0.000 1.083 737 R CB 0.223 30.539 30.300 0.026 0.000 1.306 737 R HN 0.223 nan 8.270 nan 0.000 0.567 738 S N -0.596 115.132 115.700 0.047 0.000 2.612 738 S HA 0.172 4.641 4.470 -0.001 0.000 0.278 738 S C 0.228 174.854 174.600 0.044 0.000 1.082 738 S CA -0.333 57.895 58.200 0.046 0.000 1.185 738 S CB 1.128 64.355 63.200 0.046 0.000 1.077 738 S HN 0.336 nan 8.310 nan 0.000 0.585 739 A N 2.139 124.986 122.820 0.045 0.000 2.362 739 A HA 0.641 4.960 4.320 -0.001 0.000 0.276 739 A C 0.267 177.868 177.584 0.028 0.000 1.153 739 A CA 0.107 52.168 52.037 0.040 0.000 0.813 739 A CB 0.395 19.423 19.000 0.048 0.000 1.081 739 A HN 0.178 nan 8.150 nan 0.000 0.507 740 T N 0.357 114.922 114.554 0.019 0.000 2.889 740 T HA 0.332 4.681 4.350 -0.001 0.000 0.278 740 T C 1.499 176.191 174.700 -0.014 0.000 0.995 740 T CA -0.005 62.095 62.100 -0.001 0.000 0.966 740 T CB 0.696 69.563 68.868 -0.002 0.000 1.237 740 T HN 0.703 nan 8.240 nan 0.000 0.591 741 K N 0.316 120.692 120.400 -0.041 0.000 2.360 741 K HA -0.053 4.266 4.320 -0.001 0.000 0.201 741 K C 0.496 177.054 176.600 -0.070 0.000 1.046 741 K CA 1.551 57.787 56.287 -0.085 0.000 0.945 741 K CB -0.013 32.429 32.500 -0.097 0.000 0.750 741 K HN 0.360 nan 8.250 nan 0.000 0.464 742 D N 1.345 121.756 120.400 0.018 0.000 2.354 742 D HA -0.028 4.611 4.640 -0.001 0.000 0.209 742 D C 0.483 176.895 176.300 0.187 0.000 1.015 742 D CA 0.404 54.474 54.000 0.117 0.000 0.867 742 D CB 0.317 41.152 40.800 0.058 0.000 0.933 742 D HN 0.350 nan 8.370 nan 0.000 0.520 743 S N 0.410 116.185 115.700 0.125 0.000 2.632 743 S HA 0.404 4.873 4.470 -0.001 0.000 0.267 743 S C -0.200 174.501 174.600 0.169 0.000 1.276 743 S CA -0.877 57.385 58.200 0.104 0.000 0.998 743 S CB 1.705 64.938 63.200 0.055 0.000 0.953 743 S HN 0.057 nan 8.310 nan 0.000 0.547 744 L N 1.661 122.917 121.223 0.055 0.000 2.325 744 L HA 0.625 4.964 4.340 -0.001 0.000 0.281 744 L C -1.222 175.656 176.870 0.013 0.000 1.004 744 L CA -0.721 54.123 54.840 0.006 0.000 0.823 744 L CB 0.699 42.666 42.059 -0.154 0.000 1.236 744 L HN 0.766 nan 8.230 nan 0.000 0.415 745 I N 6.581 127.174 120.570 0.039 0.000 2.362 745 I HA 0.382 4.552 4.170 -0.001 0.000 0.289 745 I C -0.528 175.616 176.117 0.044 0.000 0.994 745 I CA -0.404 60.922 61.300 0.043 0.000 1.158 745 I CB 1.460 39.496 38.000 0.061 0.000 1.315 745 I HN 0.503 nan 8.210 nan 0.000 0.451 746 I N 7.680 128.278 120.570 0.047 0.000 2.388 746 I HA 0.384 4.553 4.170 -0.001 0.000 0.281 746 I C -0.257 175.922 176.117 0.104 0.000 1.046 746 I CA -0.285 61.054 61.300 0.066 0.000 1.187 746 I CB 0.578 38.605 38.000 0.045 0.000 1.351 746 I HN 0.379 nan 8.210 nan 0.000 0.472 747 I N 4.433 125.101 120.570 0.164 0.000 2.359 747 I HA 0.315 4.485 4.170 -0.001 0.000 0.294 747 I C -0.387 175.928 176.117 0.330 0.000 0.987 747 I CA -0.296 61.156 61.300 0.254 0.000 1.225 747 I CB 1.419 39.589 38.000 0.283 0.000 1.366 747 I HN 0.428 nan 8.210 nan 0.000 0.466 748 D N 6.992 127.551 120.400 0.265 0.000 2.420 748 D HA 0.148 4.787 4.640 -0.001 0.000 0.255 748 D C -0.385 176.049 176.300 0.223 0.000 1.185 748 D CA -0.274 53.850 54.000 0.206 0.000 0.904 748 D CB 0.600 41.480 40.800 0.134 0.000 1.102 748 D HN 0.610 nan 8.370 nan 0.000 0.534 749 E N 2.497 122.850 120.200 0.255 0.000 3.783 749 E HA -0.217 4.132 4.350 -0.001 0.000 0.154 749 E C -1.616 175.218 176.600 0.390 0.000 1.748 749 E CA 0.114 56.687 56.400 0.288 0.000 0.854 749 E CB -0.509 29.275 29.700 0.139 0.000 1.075 749 E HN 0.578 nan 8.360 nan 0.000 0.360 750 L N 2.970 124.568 121.223 0.625 0.000 2.329 750 L HA 0.696 5.035 4.340 -0.001 0.000 0.279 750 L C 1.015 178.299 176.870 0.690 0.000 1.014 750 L CA 0.615 55.781 54.840 0.543 0.000 0.814 750 L CB 1.426 43.743 42.059 0.430 0.000 1.257 750 L HN 0.693 nan 8.230 nan 0.000 0.424 751 G N 3.354 112.516 108.800 0.602 0.000 2.135 751 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.183 751 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.183 751 G C 0.622 175.914 174.900 0.654 0.000 1.004 751 G CA 0.280 45.830 45.100 0.751 0.000 0.677 751 G HN 0.797 nan 8.290 nan 0.000 0.512 752 R N 0.001 120.757 120.500 0.426 0.000 2.317 752 R HA 0.333 4.672 4.340 -0.001 0.000 0.208 752 R C 2.020 178.423 176.300 0.171 0.000 0.914 752 R CA 0.868 57.060 56.100 0.154 0.000 1.060 752 R CB 0.093 30.330 30.300 -0.105 0.000 1.015 752 R HN 0.386 nan 8.270 nan 0.000 0.498 753 G N 1.060 110.047 108.800 0.313 0.000 2.603 753 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.214 753 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.214 753 G C 0.629 175.470 174.900 -0.099 0.000 1.140 753 G CA 0.796 46.037 45.100 0.235 0.000 0.800 753 G HN 0.466 nan 8.290 nan 0.000 0.533 754 T N -1.805 112.626 114.554 -0.204 0.000 2.678 754 T HA 0.559 4.909 4.350 -0.001 0.000 0.260 754 T C 0.618 175.305 174.700 -0.022 0.000 0.932 754 T CA 0.171 62.106 62.100 -0.276 0.000 1.043 754 T CB 1.000 69.523 68.868 -0.575 0.000 1.413 754 T HN 0.260 nan 8.240 nan 0.000 0.568 755 S N 0.308 116.011 115.700 0.004 0.000 2.589 755 S HA 0.207 4.676 4.470 -0.001 0.000 0.265 755 S C 1.644 176.345 174.600 0.169 0.000 1.342 755 S CA 0.070 58.326 58.200 0.093 0.000 1.005 755 S CB 0.151 63.417 63.200 0.110 0.000 0.909 755 S HN 1.067 nan 8.310 nan 0.000 0.555 756 T N -1.449 113.187 114.554 0.136 0.000 2.833 756 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 756 T C 1.246 175.941 174.700 -0.007 0.000 1.054 756 T CA 1.197 63.356 62.100 0.098 0.000 1.135 756 T CB -0.784 68.012 68.868 -0.119 0.000 0.869 756 T HN 0.706 nan 8.240 nan 0.000 0.466 757 Y N 1.569 121.965 120.300 0.161 0.000 2.347 757 Y HA 0.203 4.753 4.550 -0.001 0.000 0.294 757 Y C 2.272 178.241 175.900 0.115 0.000 1.117 757 Y CA 0.466 58.644 58.100 0.130 0.000 1.184 757 Y CB -0.178 38.329 38.460 0.078 0.000 1.047 757 Y HN 0.170 nan 8.280 nan 0.000 0.546 758 D N -0.701 119.842 120.400 0.238 0.000 2.183 758 D HA -0.072 4.568 4.640 -0.001 0.000 0.203 758 D C 2.343 178.738 176.300 0.157 0.000 0.969 758 D CA 1.328 55.420 54.000 0.153 0.000 0.842 758 D CB -0.601 40.256 40.800 0.095 0.000 0.957 758 D HN 0.384 nan 8.370 nan 0.000 0.484 759 G N -0.093 108.833 108.800 0.209 0.000 2.394 759 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.215 759 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.215 759 G C 1.404 176.348 174.900 0.072 0.000 1.165 759 G CA 0.062 45.354 45.100 0.320 0.000 0.784 759 G HN 0.249 nan 8.290 nan 0.000 0.535 760 F N 2.546 122.252 119.950 -0.407 0.000 2.186 760 F HA 0.119 4.645 4.527 -0.001 0.000 0.299 760 F C 2.431 178.047 175.800 -0.308 0.000 1.090 760 F CA 1.239 58.698 58.000 -0.903 0.000 1.307 760 F CB -0.399 38.118 39.000 -0.805 0.000 1.019 760 F HN 0.099 nan 8.300 nan 0.000 0.489 761 G N 1.102 109.773 108.800 -0.215 0.000 2.433 761 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.216 761 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.216 761 G C 1.789 176.618 174.900 -0.119 0.000 1.186 761 G CA 1.166 46.152 45.100 -0.190 0.000 0.779 761 G HN 0.423 nan 8.290 nan 0.000 0.543 762 L N 0.780 121.985 121.223 -0.029 0.000 2.042 762 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 762 L C 3.436 180.291 176.870 -0.026 0.000 1.076 762 L CA 1.091 55.938 54.840 0.012 0.000 0.749 762 L CB -0.468 41.654 42.059 0.105 0.000 0.893 762 L HN 0.321 nan 8.230 nan 0.000 0.432 763 A N -0.435 122.362 122.820 -0.038 0.000 1.902 763 A HA -0.269 4.050 4.320 -0.001 0.000 0.217 763 A C 2.177 179.727 177.584 -0.056 0.000 1.181 763 A CA 1.486 53.521 52.037 -0.004 0.000 0.623 763 A CB -1.025 18.059 19.000 0.140 0.000 0.818 763 A HN 0.697 nan 8.150 nan 0.000 0.443 764 W N 0.688 121.747 121.300 -0.401 0.000 2.388 764 W HA -0.099 4.560 4.660 -0.001 0.000 0.294 764 W C 2.167 178.544 176.519 -0.236 0.000 1.212 764 W CA 1.831 58.941 57.345 -0.392 0.000 1.271 764 W CB -0.217 28.831 29.460 -0.688 0.000 1.126 764 W HN 0.418 nan 8.180 nan 0.000 0.535 765 A N 0.603 123.423 122.820 -0.000 0.000 1.898 765 A HA -0.105 4.215 4.320 -0.001 0.000 0.214 765 A C 2.063 179.597 177.584 -0.083 0.000 1.183 765 A CA 1.508 53.532 52.037 -0.021 0.000 0.622 765 A CB -0.949 18.056 19.000 0.008 0.000 0.824 765 A HN 0.265 nan 8.150 nan 0.000 0.444 766 I N -0.109 120.399 120.570 -0.104 0.000 2.252 766 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 766 I C 2.614 178.663 176.117 -0.112 0.000 1.102 766 I CA 1.361 62.599 61.300 -0.103 0.000 1.385 766 I CB -0.272 37.646 38.000 -0.136 0.000 1.064 766 I HN 0.219 nan 8.210 nan 0.000 0.414 767 S N 0.776 116.350 115.700 -0.211 0.000 2.370 767 S HA -0.234 4.236 4.470 -0.001 0.000 0.226 767 S C 1.790 176.074 174.600 -0.527 0.000 1.033 767 S CA 1.882 59.900 58.200 -0.304 0.000 1.011 767 S CB -0.418 62.634 63.200 -0.246 0.000 0.852 767 S HN 0.636 nan 8.310 nan 0.000 0.457 768 E N -0.185 119.745 120.200 -0.450 0.000 2.285 768 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 768 E C 1.757 178.228 176.600 -0.215 0.000 0.997 768 E CA 0.634 56.787 56.400 -0.412 0.000 0.845 768 E CB -0.395 29.060 29.700 -0.408 0.000 0.782 768 E HN 0.671 nan 8.360 nan 0.000 0.491 769 Y N 1.354 121.519 120.300 -0.225 0.000 2.337 769 Y HA 0.072 4.621 4.550 -0.002 0.000 0.293 769 Y C 1.825 177.655 175.900 -0.117 0.000 1.123 769 Y CA 1.131 59.146 58.100 -0.141 0.000 1.201 769 Y CB 0.196 38.594 38.460 -0.104 0.000 1.011 769 Y HN -0.031 nan 8.280 nan 0.000 0.545 770 I N -0.354 120.205 120.570 -0.019 0.000 2.406 770 I HA -0.175 3.994 4.170 -0.001 0.000 0.249 770 I C 2.417 178.489 176.117 -0.075 0.000 1.122 770 I CA 1.050 62.351 61.300 0.002 0.000 1.431 770 I CB -0.458 37.648 38.000 0.177 0.000 1.087 770 I HN 0.257 nan 8.210 nan 0.000 0.424 771 A N -0.044 122.656 122.820 -0.200 0.000 2.123 771 A HA -0.022 4.298 4.320 -0.001 0.000 0.214 771 A C 2.120 179.590 177.584 -0.191 0.000 1.152 771 A CA 1.482 53.395 52.037 -0.207 0.000 0.728 771 A CB -0.446 18.305 19.000 -0.416 0.000 0.814 771 A HN 0.352 nan 8.150 nan 0.000 0.464 772 T N -1.393 113.024 114.554 -0.228 0.000 3.348 772 T HA 0.093 4.442 4.350 -0.001 0.000 0.233 772 T C 1.873 176.428 174.700 -0.242 0.000 0.960 772 T CA 0.892 62.865 62.100 -0.212 0.000 1.343 772 T CB -0.104 68.646 68.868 -0.197 0.000 1.068 772 T HN 0.337 nan 8.240 nan 0.000 0.410 773 K N 0.366 120.540 120.400 -0.377 0.000 2.217 773 K HA 0.060 4.380 4.320 -0.001 0.000 0.202 773 K C 1.815 178.213 176.600 -0.337 0.000 1.051 773 K CA 0.697 56.742 56.287 -0.403 0.000 0.952 773 K CB 0.041 32.164 32.500 -0.629 0.000 0.736 773 K HN 0.173 nan 8.250 nan 0.000 0.453 774 I N -0.139 120.230 120.570 -0.335 0.000 2.522 774 I HA 0.068 4.237 4.170 -0.001 0.000 0.240 774 I C 1.288 177.325 176.117 -0.133 0.000 1.078 774 I CA 1.390 62.578 61.300 -0.187 0.000 1.422 774 I CB -1.227 36.704 38.000 -0.115 0.000 1.188 774 I HN 0.354 nan 8.210 nan 0.000 0.442 775 G N 1.954 110.681 108.800 -0.123 0.000 2.291 775 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.271 775 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.271 775 G C 0.211 175.025 174.900 -0.144 0.000 1.099 775 G CA 0.350 45.380 45.100 -0.117 0.000 0.919 775 G HN 0.762 nan 8.290 nan 0.000 0.496 776 A N -0.414 122.351 122.820 -0.091 0.000 2.288 776 A HA 0.898 5.217 4.320 -0.001 0.000 0.328 776 A C 0.022 177.531 177.584 -0.125 0.000 1.123 776 A CA -0.909 51.055 52.037 -0.122 0.000 0.861 776 A CB 0.741 19.741 19.000 -0.001 0.000 1.272 776 A HN 0.738 nan 8.150 nan 0.000 0.490 777 F N 0.384 120.280 119.950 -0.091 0.000 2.494 777 F HA 0.377 4.903 4.527 -0.002 0.000 0.369 777 F C 0.644 176.386 175.800 -0.097 0.000 1.098 777 F CA 0.341 58.201 58.000 -0.233 0.000 1.154 777 F CB 0.382 39.000 39.000 -0.637 0.000 1.103 777 F HN 0.463 nan 8.300 nan 0.000 0.549 778 C N 6.912 126.351 119.300 0.232 0.000 2.547 778 C HA 0.756 5.216 4.460 -0.001 0.000 0.313 778 C C -0.538 174.456 174.990 0.006 0.000 1.191 778 C CA -0.995 58.063 59.018 0.066 0.000 1.474 778 C CB 0.605 28.333 27.740 -0.019 0.000 2.081 778 C HN 0.828 nan 8.230 nan 0.000 0.476 779 M N 6.084 125.696 119.600 0.020 0.000 2.053 779 M HA 0.363 4.842 4.480 -0.001 0.000 0.297 779 M C -1.227 175.116 176.300 0.072 0.000 0.921 779 M CA -0.225 55.105 55.300 0.051 0.000 0.918 779 M CB 1.624 34.293 32.600 0.115 0.000 1.499 779 M HN 0.663 nan 8.290 nan 0.000 0.422 780 F N 3.481 123.323 119.950 -0.180 0.000 2.359 780 F HA 0.698 5.224 4.527 -0.001 0.000 0.369 780 F C -0.619 175.236 175.800 0.092 0.000 1.084 780 F CA -1.228 56.757 58.000 -0.024 0.000 1.096 780 F CB 0.766 39.771 39.000 0.008 0.000 1.335 780 F HN 0.593 nan 8.300 nan 0.000 0.457 781 A N 4.760 127.529 122.820 -0.085 0.000 2.343 781 A HA 0.507 4.826 4.320 -0.001 0.000 0.305 781 A C 0.246 177.635 177.584 -0.326 0.000 1.308 781 A CA -0.129 51.822 52.037 -0.143 0.000 0.949 781 A CB -0.095 18.919 19.000 0.022 0.000 1.148 781 A HN 0.714 nan 8.150 nan 0.000 0.545 782 T N 0.609 114.876 114.554 -0.479 0.000 2.944 782 T HA 0.411 4.760 4.350 -0.001 0.000 0.284 782 T C 1.224 175.884 174.700 -0.067 0.000 1.010 782 T CA -0.298 61.583 62.100 -0.366 0.000 1.025 782 T CB 0.432 69.009 68.868 -0.484 0.000 1.079 782 T HN 0.754 nan 8.240 nan 0.000 0.516 783 H N 1.720 120.721 119.070 -0.115 0.000 2.592 783 H HA 0.212 4.767 4.556 -0.001 0.000 0.265 783 H C -0.239 175.016 175.328 -0.121 0.000 0.955 783 H CA -0.306 55.661 56.048 -0.135 0.000 1.175 783 H CB -0.320 29.318 29.762 -0.207 0.000 1.433 783 H HN 0.375 nan 8.280 nan 0.000 0.537 784 F N 5.187 124.906 119.950 -0.385 0.000 2.494 784 F HA 0.056 4.583 4.527 -0.001 0.000 0.369 784 F C 2.199 177.908 175.800 -0.152 0.000 1.098 784 F CA -0.196 57.644 58.000 -0.266 0.000 1.154 784 F CB 0.477 39.419 39.000 -0.098 0.000 1.103 784 F HN 0.264 nan 8.300 nan 0.000 0.549 785 H N 1.960 121.078 119.070 0.080 0.000 2.289 785 H HA -0.174 4.381 4.556 -0.001 0.000 0.294 785 H C -0.017 175.358 175.328 0.078 0.000 1.095 785 H CA 1.806 57.883 56.048 0.049 0.000 1.256 785 H CB -0.131 29.628 29.762 -0.004 0.000 1.359 785 H HN 0.587 nan 8.280 nan 0.000 0.487 786 E N 0.479 120.467 120.200 -0.354 0.000 3.012 786 E HA 0.235 4.585 4.350 -0.001 0.000 0.228 786 E C 0.561 177.282 176.600 0.202 0.000 1.184 786 E CA -0.188 56.178 56.400 -0.056 0.000 1.407 786 E CB 0.594 30.264 29.700 -0.049 0.000 1.438 786 E HN 0.358 nan 8.360 nan 0.000 0.435 787 L N 0.493 121.933 121.223 0.362 0.000 2.616 787 L HA 0.018 4.357 4.340 -0.001 0.000 0.229 787 L C 2.095 179.216 176.870 0.418 0.000 1.110 787 L CA 0.626 55.838 54.840 0.619 0.000 0.884 787 L CB 0.384 42.767 42.059 0.540 0.000 1.115 787 L HN 0.240 nan 8.230 nan 0.000 0.481 788 T N -3.314 111.417 114.554 0.295 0.000 3.072 788 T HA 0.015 4.364 4.350 -0.001 0.000 0.266 788 T C 1.623 176.452 174.700 0.215 0.000 1.127 788 T CA 0.651 62.878 62.100 0.212 0.000 1.107 788 T CB -0.226 68.735 68.868 0.156 0.000 0.910 788 T HN 0.286 nan 8.240 nan 0.000 0.513 789 A N 0.653 123.672 122.820 0.331 0.000 2.248 789 A HA 0.329 4.648 4.320 -0.001 0.000 0.210 789 A C 1.991 179.789 177.584 0.355 0.000 1.174 789 A CA 0.387 52.631 52.037 0.346 0.000 0.750 789 A CB -0.678 18.551 19.000 0.381 0.000 0.780 789 A HN 0.480 nan 8.150 nan 0.000 0.478 790 L N -1.530 119.768 121.223 0.124 0.000 2.446 790 L HA 0.280 4.620 4.340 -0.001 0.000 0.219 790 L C 2.366 179.172 176.870 -0.107 0.000 1.116 790 L CA 1.378 56.077 54.840 -0.235 0.000 0.844 790 L CB -0.333 41.310 42.059 -0.695 0.000 0.970 790 L HN 0.278 nan 8.230 nan 0.000 0.457 791 A N -0.555 122.266 122.820 0.002 0.000 2.066 791 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 791 A C 1.849 179.446 177.584 0.020 0.000 1.157 791 A CA 1.299 53.346 52.037 0.016 0.000 0.670 791 A CB -0.519 18.516 19.000 0.059 0.000 0.804 791 A HN 0.530 nan 8.150 nan 0.000 0.453 792 N N 0.030 118.757 118.700 0.045 0.000 2.207 792 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 792 N C 1.864 177.394 175.510 0.033 0.000 1.020 792 N CA 1.462 54.541 53.050 0.049 0.000 0.858 792 N CB -0.378 38.155 38.487 0.077 0.000 0.991 792 N HN 0.664 nan 8.380 nan 0.000 0.427 793 Q N 0.244 120.062 119.800 0.031 0.000 1.961 793 Q HA 0.159 4.498 4.340 -0.001 0.000 0.197 793 Q C 0.268 176.250 176.000 -0.030 0.000 0.977 793 Q CA 0.557 56.368 55.803 0.014 0.000 0.830 793 Q CB 0.106 28.866 28.738 0.036 0.000 0.896 793 Q HN 0.270 nan 8.270 nan 0.000 0.437 794 I N 3.634 124.156 120.570 -0.079 0.000 2.452 794 I HA -0.008 4.162 4.170 -0.001 0.000 0.287 794 I C -1.527 174.549 176.117 -0.068 0.000 1.079 794 I CA -1.475 59.765 61.300 -0.101 0.000 1.387 794 I CB 0.846 38.736 38.000 -0.183 0.000 1.404 794 I HN 0.133 nan 8.210 nan 0.000 0.522 795 P HA -0.174 nan 4.420 nan 0.000 0.217 795 P C 1.387 178.674 177.300 -0.021 0.000 1.150 795 P CA 1.583 64.667 63.100 -0.025 0.000 0.832 795 P CB -0.138 31.550 31.700 -0.020 0.000 0.787 796 T N -2.858 111.677 114.554 -0.031 0.000 2.995 796 T HA 0.026 4.375 4.350 -0.001 0.000 0.269 796 T C 1.004 175.705 174.700 0.002 0.000 1.091 796 T CA 0.149 62.243 62.100 -0.010 0.000 1.128 796 T CB -1.075 67.787 68.868 -0.010 0.000 0.891 796 T HN -0.160 nan 8.240 nan 0.000 0.492 797 V N 3.215 123.120 119.914 -0.016 0.000 2.470 797 V HA 0.410 4.529 4.120 -0.001 0.000 0.276 797 V C 0.089 176.203 176.094 0.033 0.000 1.040 797 V CA -0.681 61.646 62.300 0.044 0.000 1.008 797 V CB 0.429 32.204 31.823 -0.079 0.000 0.990 797 V HN 0.471 nan 8.190 nan 0.000 0.477 798 N N 4.282 122.998 118.700 0.027 0.000 2.272 798 N HA 0.400 5.139 4.740 -0.001 0.000 0.305 798 N C -0.918 174.663 175.510 0.118 0.000 1.103 798 N CA -0.644 52.420 53.050 0.023 0.000 0.791 798 N CB 1.621 40.072 38.487 -0.060 0.000 1.356 798 N HN 0.559 nan 8.380 nan 0.000 0.486 799 N N 1.673 120.450 118.700 0.129 0.000 2.438 799 N HA 0.463 5.202 4.740 -0.001 0.000 0.282 799 N C -0.921 174.702 175.510 0.188 0.000 1.037 799 N CA -0.188 52.958 53.050 0.160 0.000 0.942 799 N CB 1.076 39.640 38.487 0.128 0.000 1.136 799 N HN 0.433 nan 8.380 nan 0.000 0.481 800 L N 1.734 123.079 121.223 0.203 0.000 2.354 800 L HA 0.571 4.911 4.340 -0.001 0.000 0.264 800 L C -0.459 176.525 176.870 0.190 0.000 1.008 800 L CA -0.970 53.971 54.840 0.169 0.000 0.819 800 L CB 1.950 44.088 42.059 0.131 0.000 1.339 800 L HN 0.748 nan 8.230 nan 0.000 0.420 801 H N -0.603 118.463 119.070 -0.007 0.000 3.037 801 H HA 0.754 5.309 4.556 -0.001 0.000 0.355 801 H C -1.807 173.482 175.328 -0.065 0.000 1.263 801 H CA -0.979 55.061 56.048 -0.013 0.000 1.129 801 H CB 1.576 31.350 29.762 0.020 0.000 1.861 801 H HN 0.180 nan 8.280 nan 0.000 0.546 802 V N 2.063 121.919 119.914 -0.097 0.000 2.581 802 V HA 0.575 4.694 4.120 -0.001 0.000 0.303 802 V C 0.297 176.317 176.094 -0.124 0.000 1.041 802 V CA -0.124 62.055 62.300 -0.202 0.000 0.907 802 V CB 1.524 33.240 31.823 -0.178 0.000 0.994 802 V HN 1.134 nan 8.190 nan 0.000 0.442 803 T N 0.788 115.230 114.554 -0.186 0.000 2.905 803 T HA 0.972 5.321 4.350 -0.001 0.000 0.283 803 T C -0.317 174.148 174.700 -0.392 0.000 1.031 803 T CA -0.447 61.553 62.100 -0.168 0.000 1.002 803 T CB 2.196 71.098 68.868 0.056 0.000 1.200 803 T HN 1.292 nan 8.240 nan 0.000 0.560 804 A N 0.119 122.678 122.820 -0.435 0.000 2.609 804 A HA 0.735 5.055 4.320 -0.001 0.000 0.291 804 A C -1.614 175.936 177.584 -0.056 0.000 1.096 804 A CA -1.027 50.768 52.037 -0.404 0.000 0.684 804 A CB 1.129 19.696 19.000 -0.722 0.000 1.282 804 A HN 0.861 nan 8.150 nan 0.000 0.412 805 L N 1.707 122.895 121.223 -0.058 0.000 2.296 805 L HA 0.559 4.898 4.340 -0.001 0.000 0.286 805 L C 0.543 177.409 176.870 -0.007 0.000 1.023 805 L CA -0.590 54.254 54.840 0.006 0.000 0.812 805 L CB 2.019 44.062 42.059 -0.027 0.000 1.223 805 L HN 0.938 nan 8.230 nan 0.000 0.421 806 T N -1.214 113.325 114.554 -0.025 0.000 2.922 806 T HA 0.648 4.998 4.350 -0.001 0.000 0.285 806 T C 0.215 174.849 174.700 -0.110 0.000 1.005 806 T CA -0.433 61.566 62.100 -0.169 0.000 1.061 806 T CB 2.230 70.904 68.868 -0.324 0.000 1.007 806 T HN 0.610 nan 8.240 nan 0.000 0.502 807 T N 0.979 115.480 114.554 -0.087 0.000 2.709 807 T HA 0.386 4.736 4.350 -0.001 0.000 0.147 807 T C 0.705 175.457 174.700 0.086 0.000 0.821 807 T CA -0.448 61.657 62.100 0.008 0.000 0.830 807 T CB 0.393 69.281 68.868 0.033 0.000 2.347 807 T HN 0.707 nan 8.240 nan 0.000 0.351 808 E N 0.224 120.517 120.200 0.156 0.000 3.293 808 E HA 0.178 4.527 4.350 -0.001 0.000 0.218 808 E C 0.408 177.102 176.600 0.157 0.000 1.112 808 E CA 0.121 56.633 56.400 0.185 0.000 1.642 808 E CB 0.892 30.644 29.700 0.085 0.000 1.630 808 E HN 0.365 nan 8.360 nan 0.000 0.820 809 E N 0.799 121.064 120.200 0.107 0.000 2.734 809 E HA 0.195 4.544 4.350 -0.001 0.000 0.211 809 E C -0.978 175.672 176.600 0.083 0.000 0.991 809 E CA 0.106 56.546 56.400 0.066 0.000 1.065 809 E CB 1.612 31.333 29.700 0.034 0.000 1.047 809 E HN -0.096 nan 8.360 nan 0.000 0.470 810 T N 1.357 115.988 114.554 0.128 0.000 2.991 810 T HA 0.424 4.773 4.350 -0.001 0.000 0.303 810 T C -1.458 173.303 174.700 0.101 0.000 1.015 810 T CA -0.569 61.585 62.100 0.089 0.000 1.007 810 T CB 1.692 70.589 68.868 0.049 0.000 1.034 810 T HN -0.033 nan 8.240 nan 0.000 0.446 811 L N 4.248 125.516 121.223 0.075 0.000 2.415 811 L HA 0.691 5.030 4.340 -0.001 0.000 0.268 811 L C -0.111 176.742 176.870 -0.027 0.000 0.984 811 L CA -0.048 54.814 54.840 0.036 0.000 0.853 811 L CB 1.369 43.487 42.059 0.098 0.000 1.215 811 L HN 0.819 nan 8.230 nan 0.000 0.419 812 T N 2.177 116.690 114.554 -0.069 0.000 2.912 812 T HA 0.694 5.043 4.350 -0.001 0.000 0.288 812 T C -0.054 174.513 174.700 -0.222 0.000 1.030 812 T CA -1.002 61.032 62.100 -0.110 0.000 1.020 812 T CB 1.554 70.381 68.868 -0.068 0.000 1.056 812 T HN 0.397 nan 8.240 nan 0.000 0.480 813 M N 2.416 121.810 119.600 -0.344 0.000 2.367 813 M HA 0.390 4.869 4.480 -0.001 0.000 0.339 813 M C 0.702 176.659 176.300 -0.572 0.000 1.177 813 M CA -0.905 54.019 55.300 -0.626 0.000 1.068 813 M CB 1.225 33.144 32.600 -1.135 0.000 1.602 813 M HN 0.689 nan 8.290 nan 0.000 0.457 814 L N 1.512 122.449 121.223 -0.476 0.000 2.477 814 L HA 0.011 4.351 4.340 -0.001 0.000 0.220 814 L C 0.089 176.852 176.870 -0.179 0.000 1.106 814 L CA 0.272 54.958 54.840 -0.258 0.000 0.851 814 L CB -0.230 41.718 42.059 -0.184 0.000 0.994 814 L HN 0.721 nan 8.230 nan 0.000 0.462 815 Y N -0.939 119.242 120.300 -0.197 0.000 4.899 815 Y HA -0.332 4.218 4.550 -0.001 0.000 0.241 815 Y C 0.881 176.626 175.900 -0.259 0.000 0.976 815 Y CA 0.537 58.493 58.100 -0.240 0.000 1.952 815 Y CB -2.032 36.255 38.460 -0.288 0.000 1.496 815 Y HN 0.353 nan 8.280 nan 0.000 0.545 816 Q N -0.062 119.658 119.800 -0.135 0.000 2.230 816 Q HA 0.572 4.911 4.340 -0.001 0.000 0.253 816 Q C -0.361 175.475 176.000 -0.274 0.000 0.919 816 Q CA -0.671 55.022 55.803 -0.183 0.000 0.908 816 Q CB 2.626 31.279 28.738 -0.142 0.000 1.245 816 Q HN 0.115 nan 8.270 nan 0.000 0.437 817 V N 3.809 123.512 119.914 -0.352 0.000 2.333 817 V HA 0.301 4.420 4.120 -0.001 0.000 0.274 817 V C -0.784 175.092 176.094 -0.364 0.000 1.028 817 V CA -0.161 61.874 62.300 -0.442 0.000 0.851 817 V CB 0.682 32.093 31.823 -0.688 0.000 1.000 817 V HN 0.629 nan 8.190 nan 0.000 0.456 818 K N 4.933 125.062 120.400 -0.453 0.000 2.168 818 K HA 0.571 4.890 4.320 -0.001 0.000 0.239 818 K C -0.596 175.907 176.600 -0.160 0.000 0.999 818 K CA -0.901 55.201 56.287 -0.308 0.000 0.900 818 K CB 1.551 33.881 32.500 -0.282 0.000 1.111 818 K HN 0.562 nan 8.250 nan 0.000 0.452 819 K N 0.642 121.057 120.400 0.026 0.000 2.205 819 K HA 0.424 4.743 4.320 -0.001 0.000 0.279 819 K C 0.174 176.922 176.600 0.247 0.000 1.027 819 K CA -0.141 56.221 56.287 0.125 0.000 0.932 819 K CB 1.297 33.831 32.500 0.058 0.000 1.032 819 K HN 0.829 nan 8.250 nan 0.000 0.466 820 G N 0.353 109.294 108.800 0.235 0.000 2.378 820 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.198 820 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.198 820 G C -1.449 173.437 174.900 -0.023 0.000 1.223 820 G CA -0.890 44.269 45.100 0.098 0.000 1.088 820 G HN 0.428 nan 8.290 nan 0.000 0.530 821 V N 0.254 120.017 119.914 -0.252 0.000 2.638 821 V HA 0.537 4.656 4.120 -0.001 0.000 0.306 821 V C 1.059 176.871 176.094 -0.469 0.000 1.052 821 V CA -0.259 61.852 62.300 -0.315 0.000 0.885 821 V CB 1.053 32.828 31.823 -0.080 0.000 0.999 821 V HN 1.742 nan 8.190 nan 0.000 0.424 822 C N 1.316 120.323 119.300 -0.488 0.000 2.604 822 C HA 0.455 4.914 4.460 -0.001 0.000 0.396 822 C C 1.434 176.355 174.990 -0.114 0.000 1.282 822 C CA -0.216 58.658 59.018 -0.240 0.000 2.292 822 C CB 0.279 28.051 27.740 0.053 0.000 2.633 822 C HN 0.877 nan 8.230 nan 0.000 0.620 823 D N -0.031 120.305 120.400 -0.106 0.000 2.103 823 D HA -0.020 4.619 4.640 -0.001 0.000 0.199 823 D C 0.878 177.074 176.300 -0.173 0.000 0.978 823 D CA 1.281 55.212 54.000 -0.115 0.000 0.829 823 D CB -0.230 40.508 40.800 -0.104 0.000 0.981 823 D HN 0.756 nan 8.370 nan 0.000 0.464 824 Q N 0.399 120.024 119.800 -0.292 0.000 2.332 824 Q HA 0.186 4.525 4.340 -0.001 0.000 0.263 824 Q C 1.101 176.778 176.000 -0.538 0.000 0.979 824 Q CA -0.094 55.373 55.803 -0.560 0.000 0.885 824 Q CB 1.308 29.430 28.738 -1.026 0.000 1.218 824 Q HN 0.139 nan 8.270 nan 0.000 0.405 825 S N 1.742 117.214 115.700 -0.379 0.000 2.478 825 S HA -0.035 4.434 4.470 -0.001 0.000 0.222 825 S C 0.718 175.343 174.600 0.042 0.000 1.008 825 S CA 0.223 58.353 58.200 -0.117 0.000 0.928 825 S CB -0.102 63.047 63.200 -0.084 0.000 0.781 825 S HN 0.788 nan 8.310 nan 0.000 0.518 826 F N 0.805 120.737 119.950 -0.029 0.000 2.597 826 F HA -0.309 4.217 4.527 -0.001 0.000 0.617 826 F C 1.984 177.785 175.800 0.002 0.000 0.497 826 F CA 0.819 58.808 58.000 -0.019 0.000 0.788 826 F CB -1.952 37.029 39.000 -0.031 0.000 1.646 826 F HN 0.373 nan 8.300 nan 0.000 0.258 827 G N 0.192 109.081 108.800 0.148 0.000 2.469 827 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.220 827 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.220 827 G C 1.414 176.309 174.900 -0.008 0.000 1.136 827 G CA 1.475 46.611 45.100 0.059 0.000 0.759 827 G HN 0.525 nan 8.290 nan 0.000 0.562 828 I N -0.549 120.006 120.570 -0.025 0.000 2.353 828 I HA -0.112 4.057 4.170 -0.001 0.000 0.248 828 I C 2.449 178.522 176.117 -0.072 0.000 1.119 828 I CA 0.949 62.196 61.300 -0.088 0.000 1.417 828 I CB -0.401 37.549 38.000 -0.082 0.000 1.078 828 I HN 0.187 nan 8.210 nan 0.000 0.421 829 H N 1.185 120.214 119.070 -0.069 0.000 2.491 829 H HA -0.055 4.500 4.556 -0.001 0.000 0.290 829 H C 2.113 177.421 175.328 -0.033 0.000 1.050 829 H CA 1.278 57.300 56.048 -0.042 0.000 1.309 829 H CB 0.435 30.198 29.762 0.000 0.000 1.392 829 H HN 0.158 nan 8.280 nan 0.000 0.554 830 V N 0.867 120.789 119.914 0.014 0.000 2.667 830 V HA -0.165 3.954 4.120 -0.001 0.000 0.252 830 V C 2.935 178.970 176.094 -0.098 0.000 1.065 830 V CA 1.205 63.496 62.300 -0.015 0.000 1.083 830 V CB -0.931 30.907 31.823 0.025 0.000 0.692 830 V HN 0.492 nan 8.190 nan 0.000 0.468 831 A N -0.000 122.686 122.820 -0.223 0.000 1.898 831 A HA -0.236 4.084 4.320 -0.001 0.000 0.216 831 A C 2.300 179.756 177.584 -0.214 0.000 1.181 831 A CA 1.771 53.543 52.037 -0.441 0.000 0.620 831 A CB -0.439 17.950 19.000 -1.019 0.000 0.819 831 A HN 0.592 nan 8.150 nan 0.000 0.442 832 E N -0.639 119.418 120.200 -0.239 0.000 2.150 832 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 832 E C 1.796 178.310 176.600 -0.144 0.000 0.985 832 E CA 1.184 57.479 56.400 -0.176 0.000 0.814 832 E CB -0.134 29.400 29.700 -0.276 0.000 0.752 832 E HN 0.442 nan 8.360 nan 0.000 0.466 833 L N 0.360 121.468 121.223 -0.191 0.000 2.217 833 L HA 0.079 4.418 4.340 -0.001 0.000 0.211 833 L C 1.878 178.745 176.870 -0.006 0.000 1.107 833 L CA 1.718 56.494 54.840 -0.106 0.000 0.783 833 L CB -0.222 41.783 42.059 -0.090 0.000 0.919 833 L HN 0.121 nan 8.230 nan 0.000 0.442 834 A N -0.632 122.219 122.820 0.052 0.000 2.337 834 A HA 0.162 4.481 4.320 -0.001 0.000 0.227 834 A C 0.636 178.296 177.584 0.128 0.000 1.259 834 A CA 0.343 52.445 52.037 0.108 0.000 0.870 834 A CB -0.831 18.270 19.000 0.169 0.000 0.927 834 A HN 0.605 nan 8.150 nan 0.000 0.497 835 N N -1.297 117.472 118.700 0.116 0.000 2.621 835 N HA -0.168 4.571 4.740 -0.001 0.000 0.269 835 N C -0.878 174.691 175.510 0.098 0.000 1.154 835 N CA 0.482 53.581 53.050 0.082 0.000 0.696 835 N CB -2.129 36.370 38.487 0.019 0.000 0.878 835 N HN 0.393 nan 8.380 nan 0.000 0.550 836 F N 1.135 121.047 119.950 -0.063 0.000 2.378 836 F HA 0.532 5.058 4.527 -0.001 0.000 0.325 836 F C -1.052 174.696 175.800 -0.087 0.000 1.097 836 F CA -1.695 56.261 58.000 -0.074 0.000 1.079 836 F CB 0.751 39.705 39.000 -0.076 0.000 1.240 836 F HN 0.173 nan 8.300 nan 0.000 0.519 837 P HA 0.042 nan 4.420 nan 0.000 0.269 837 P C -0.064 177.199 177.300 -0.061 0.000 1.215 837 P CA -0.278 62.767 63.100 -0.092 0.000 0.780 837 P CB 0.563 32.100 31.700 -0.272 0.000 0.898 838 K N 1.967 122.361 120.400 -0.009 0.000 2.113 838 K HA -0.218 4.101 4.320 -0.001 0.000 0.208 838 K C 1.161 177.804 176.600 0.072 0.000 1.047 838 K CA 1.661 57.980 56.287 0.053 0.000 0.928 838 K CB -0.630 31.930 32.500 0.100 0.000 0.716 838 K HN 0.612 nan 8.250 nan 0.000 0.446 839 H N -0.315 118.776 119.070 0.035 0.000 2.519 839 H HA 0.260 4.816 4.556 -0.001 0.000 0.289 839 H C 0.953 176.307 175.328 0.044 0.000 1.040 839 H CA -0.131 55.935 56.048 0.030 0.000 1.165 839 H CB 0.299 30.073 29.762 0.020 0.000 1.462 839 H HN 0.073 nan 8.280 nan 0.000 0.555 840 V N 0.119 119.970 119.914 -0.106 0.000 3.219 840 V HA -0.041 4.079 4.120 -0.001 0.000 0.240 840 V C 2.164 178.278 176.094 0.033 0.000 1.222 840 V CA 0.321 62.610 62.300 -0.018 0.000 1.181 840 V CB 0.173 32.006 31.823 0.017 0.000 0.941 840 V HN 0.237 nan 8.190 nan 0.000 0.471 841 I N 0.884 121.469 120.570 0.025 0.000 2.546 841 I HA -0.096 4.073 4.170 -0.001 0.000 0.255 841 I C 2.114 178.211 176.117 -0.034 0.000 1.163 841 I CA 1.778 63.056 61.300 -0.037 0.000 1.457 841 I CB -0.159 37.818 38.000 -0.037 0.000 1.092 841 I HN 0.343 nan 8.210 nan 0.000 0.434 842 E N -0.993 119.207 120.200 -0.000 0.000 2.299 842 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 842 E C 2.254 178.857 176.600 0.005 0.000 0.998 842 E CA 0.906 57.309 56.400 0.005 0.000 0.851 842 E CB -0.264 29.452 29.700 0.026 0.000 0.795 842 E HN 0.597 nan 8.360 nan 0.000 0.492 843 C N 0.639 119.947 119.300 0.014 0.000 2.450 843 C HA 0.112 4.571 4.460 -0.001 0.000 0.279 843 C C 2.748 177.733 174.990 -0.007 0.000 1.335 843 C CA 0.980 60.007 59.018 0.015 0.000 1.749 843 C CB -0.691 27.069 27.740 0.034 0.000 1.963 843 C HN 0.446 nan 8.230 nan 0.000 0.501 844 A N -0.032 122.772 122.820 -0.027 0.000 2.067 844 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 844 A C 2.201 179.752 177.584 -0.055 0.000 1.156 844 A CA 1.133 53.138 52.037 -0.053 0.000 0.683 844 A CB -0.450 18.490 19.000 -0.100 0.000 0.808 844 A HN 0.743 nan 8.150 nan 0.000 0.455 845 K N -0.492 119.882 120.400 -0.045 0.000 2.167 845 K HA -0.077 4.242 4.320 -0.001 0.000 0.203 845 K C 2.134 178.713 176.600 -0.034 0.000 1.052 845 K CA 1.244 57.506 56.287 -0.042 0.000 0.956 845 K CB -0.083 32.397 32.500 -0.032 0.000 0.735 845 K HN 0.595 nan 8.250 nan 0.000 0.451 846 Q N 0.414 120.200 119.800 -0.024 0.000 2.096 846 Q HA -0.036 4.304 4.340 -0.001 0.000 0.197 846 Q C 1.794 177.780 176.000 -0.024 0.000 0.964 846 Q CA 0.818 56.609 55.803 -0.019 0.000 0.838 846 Q CB 0.184 28.917 28.738 -0.008 0.000 0.906 846 Q HN 0.026 nan 8.270 nan 0.000 0.444 847 K N 0.369 120.753 120.400 -0.026 0.000 2.365 847 K HA 0.039 4.359 4.320 -0.001 0.000 0.199 847 K C 1.753 178.325 176.600 -0.046 0.000 1.045 847 K CA 0.751 57.020 56.287 -0.030 0.000 0.962 847 K CB 0.071 32.556 32.500 -0.024 0.000 0.759 847 K HN 0.139 nan 8.250 nan 0.000 0.469 848 A N 0.888 123.675 122.820 -0.055 0.000 1.930 848 A HA -0.025 4.294 4.320 -0.001 0.000 0.215 848 A C 2.129 179.673 177.584 -0.067 0.000 1.176 848 A CA 0.765 52.759 52.037 -0.072 0.000 0.632 848 A CB -0.344 18.611 19.000 -0.076 0.000 0.819 848 A HN 0.168 nan 8.150 nan 0.000 0.445 849 L N -0.628 120.564 121.223 -0.052 0.000 2.217 849 L HA -0.091 4.248 4.340 -0.001 0.000 0.211 849 L C 2.134 178.981 176.870 -0.040 0.000 1.107 849 L CA 0.939 55.752 54.840 -0.045 0.000 0.783 849 L CB -0.412 41.625 42.059 -0.037 0.000 0.919 849 L HN 0.439 nan 8.230 nan 0.000 0.442 850 E N 0.018 120.196 120.200 -0.037 0.000 2.427 850 E HA -0.067 4.282 4.350 -0.001 0.000 0.196 850 E C 1.987 178.566 176.600 -0.034 0.000 1.028 850 E CA 0.524 56.907 56.400 -0.029 0.000 0.864 850 E CB 0.213 29.900 29.700 -0.021 0.000 0.813 850 E HN 0.529 nan 8.360 nan 0.000 0.514 851 L N 0.023 121.214 121.223 -0.053 0.000 2.515 851 L HA 0.047 4.386 4.340 -0.001 0.000 0.223 851 L C 1.849 178.680 176.870 -0.065 0.000 1.079 851 L CA 0.325 55.124 54.840 -0.068 0.000 0.857 851 L CB 0.114 42.103 42.059 -0.115 0.000 1.050 851 L HN 0.014 nan 8.230 nan 0.000 0.476 852 E N 0.835 120.999 120.200 -0.060 0.000 2.274 852 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 852 E C 1.650 178.233 176.600 -0.029 0.000 0.996 852 E CA 1.074 57.445 56.400 -0.048 0.000 0.840 852 E CB 0.147 29.816 29.700 -0.051 0.000 0.772 852 E HN 0.594 nan 8.360 nan 0.000 0.491 853 E N -0.429 119.755 120.200 -0.026 0.000 2.371 853 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 853 E C 1.544 178.138 176.600 -0.011 0.000 1.012 853 E CA 0.826 57.216 56.400 -0.017 0.000 0.860 853 E CB -0.145 29.545 29.700 -0.016 0.000 0.811 853 E HN 0.341 nan 8.360 nan 0.000 0.502 854 F N 0.631 120.574 119.950 -0.011 0.000 2.678 854 F HA 0.523 5.049 4.527 -0.001 0.000 0.305 854 F C 1.186 176.988 175.800 0.004 0.000 1.090 854 F CA 0.046 58.044 58.000 -0.003 0.000 1.272 854 F CB -0.331 38.669 39.000 0.000 0.000 1.060 854 F HN 0.314 nan 8.300 nan 0.000 0.576 855 Q N 0.000 119.802 119.800 0.003 0.000 2.315 855 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 855 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 855 Q CB 0.000 28.762 28.738 0.039 0.000 1.108 855 Q HN 0.000 nan 8.270 nan 0.000 0.481