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 2o8e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAVQPKETLQ LESAAEVGFV RFFQGMPEKP TTTVRLFDRG DAYTAHGEDA DATA SEQUENCE LLAAREVFKT QGVIKYMGPA GAKNLQSVVL SKMNFESFVK DLLLVRQYRV DATA SEQUENCE EVYKNRAGXX XSKENDWYLA YKASPGNLSQ FEDILFGNNX XXXXIGVVGV DATA SEQUENCE KMXXXXXQRQ VGVGYVDSIQ RKLGLCEFPD NDQFSNLEAL LIQIGPKECV DATA SEQUENCE LPGGETAGDM GKLRQIIQRG GILITERKKA DFSTKDIYQD LNRXXXGKKG DATA SEQUENCE EQMNSAVLPE MENQVAVSSL SAVIKFLELL SDDSNFGQFE LTTFDFSQYM DATA SEQUENCE KLDIAAVRAL NLFQXXXXXX 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 0.000 176.255 176.300 -0.075 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 A N 0.515 123.295 122.820 -0.067 0.000 2.429 2 A HA 0.156 4.477 4.320 0.001 0.000 0.684 2 A C -0.237 177.351 177.584 0.007 0.000 0.143 2 A CA 0.015 51.999 52.037 -0.088 0.000 0.046 2 A CB -1.555 17.303 19.000 -0.238 0.000 3.961 2 A HN 1.118 nan 8.150 nan 0.000 0.546 3 V N 4.808 124.742 119.914 0.032 0.000 2.584 3 V HA 0.047 4.167 4.120 0.001 0.000 0.303 3 V C 1.269 177.455 176.094 0.154 0.000 1.035 3 V CA 0.994 63.340 62.300 0.077 0.000 1.172 3 V CB 0.211 32.063 31.823 0.049 0.000 0.896 3 V HN 0.872 nan 8.190 nan 0.000 0.486 4 Q N 6.424 126.335 119.800 0.186 0.000 2.373 4 Q HA 0.264 4.604 4.340 0.001 0.000 0.255 4 Q C -1.997 174.071 176.000 0.113 0.000 0.980 4 Q CA -1.333 54.596 55.803 0.210 0.000 0.882 4 Q CB 0.416 29.176 28.738 0.038 0.000 1.249 4 Q HN 0.585 nan 8.270 nan 0.000 0.438 5 P HA 0.035 nan 4.420 nan 0.000 0.274 5 P C -0.581 176.730 177.300 0.018 0.000 1.246 5 P CA -0.114 63.025 63.100 0.065 0.000 0.795 5 P CB 0.976 32.720 31.700 0.074 0.000 1.006 6 K N -0.141 120.269 120.400 0.016 0.000 2.098 6 K HA -0.014 4.306 4.320 0.001 0.000 0.203 6 K C 0.348 176.941 176.600 -0.011 0.000 1.051 6 K CA 0.857 57.145 56.287 0.001 0.000 0.957 6 K CB -0.189 32.314 32.500 0.005 0.000 0.738 6 K HN 0.500 nan 8.250 nan 0.000 0.447 7 E N 1.691 121.888 120.200 -0.005 0.000 2.413 7 E HA 0.001 4.351 4.350 0.001 0.000 0.263 7 E C 0.268 176.851 176.600 -0.029 0.000 1.015 7 E CA 0.142 56.534 56.400 -0.014 0.000 0.916 7 E CB 0.632 30.328 29.700 -0.006 0.000 0.947 7 E HN 0.253 nan 8.360 nan 0.000 0.440 8 T N -0.870 113.662 114.554 -0.036 0.000 2.708 8 T HA 0.595 4.945 4.350 0.001 0.000 0.256 8 T C -0.390 174.281 174.700 -0.049 0.000 0.946 8 T CA -0.945 61.125 62.100 -0.050 0.000 1.039 8 T CB 0.435 69.274 68.868 -0.049 0.000 1.557 8 T HN 0.233 nan 8.240 nan 0.000 0.576 9 L N 0.736 121.926 121.223 -0.055 0.000 2.613 9 L HA 0.381 4.722 4.340 0.001 0.000 0.275 9 L C -0.422 176.419 176.870 -0.049 0.000 1.453 9 L CA -0.037 54.768 54.840 -0.058 0.000 0.725 9 L CB 0.494 42.508 42.059 -0.075 0.000 1.013 9 L HN 0.654 nan 8.230 nan 0.000 0.520 10 Q N 1.462 121.239 119.800 -0.038 0.000 3.150 10 Q HA 0.342 4.683 4.340 0.001 0.000 0.297 10 Q C 0.067 176.051 176.000 -0.026 0.000 1.382 10 Q CA -0.136 55.651 55.803 -0.027 0.000 1.059 10 Q CB 0.539 29.264 28.738 -0.022 0.000 1.559 10 Q HN 0.564 nan 8.270 nan 0.000 0.548 11 L N -0.344 120.861 121.223 -0.031 0.000 2.776 11 L HA 0.205 4.545 4.340 0.001 0.000 0.165 11 L C 0.713 177.574 176.870 -0.016 0.000 1.145 11 L CA -0.423 54.400 54.840 -0.029 0.000 1.230 11 L CB 0.202 42.236 42.059 -0.042 0.000 2.044 11 L HN 0.368 nan 8.230 nan 0.000 0.484 12 E N -0.486 119.707 120.200 -0.013 0.000 2.248 12 E HA 0.113 4.464 4.350 0.001 0.000 0.272 12 E C 0.723 177.326 176.600 0.005 0.000 1.008 12 E CA -0.016 56.381 56.400 -0.004 0.000 0.856 12 E CB 1.566 31.264 29.700 -0.004 0.000 1.120 12 E HN 0.561 nan 8.360 nan 0.000 0.397 13 S N 1.409 117.114 115.700 0.009 0.000 2.383 13 S HA -0.166 4.305 4.470 0.001 0.000 0.227 13 S C 1.866 176.480 174.600 0.024 0.000 1.026 13 S CA 0.918 59.128 58.200 0.017 0.000 0.981 13 S CB -0.165 63.044 63.200 0.015 0.000 0.818 13 S HN 0.552 nan 8.310 nan 0.000 0.472 14 A N 0.743 123.575 122.820 0.020 0.000 2.206 14 A HA 0.647 4.968 4.320 0.001 0.000 0.211 14 A C 2.075 179.678 177.584 0.032 0.000 1.158 14 A CA 0.966 53.018 52.037 0.024 0.000 0.761 14 A CB -0.660 18.350 19.000 0.017 0.000 0.801 14 A HN 0.835 nan 8.150 nan 0.000 0.473 15 A N -1.020 121.819 122.820 0.030 0.000 2.259 15 A HA 0.260 4.580 4.320 0.001 0.000 0.213 15 A C 1.696 179.317 177.584 0.062 0.000 1.209 15 A CA 0.811 52.871 52.037 0.039 0.000 0.910 15 A CB -0.042 18.967 19.000 0.015 0.000 0.946 15 A HN 0.511 nan 8.150 nan 0.000 0.497 16 E N 0.208 120.438 120.200 0.049 0.000 2.051 16 E HA -0.088 4.263 4.350 0.001 0.000 0.189 16 E C 1.618 178.285 176.600 0.113 0.000 0.979 16 E CA 1.396 57.831 56.400 0.059 0.000 0.803 16 E CB -0.012 29.707 29.700 0.031 0.000 0.761 16 E HN 0.221 nan 8.360 nan 0.000 0.451 17 V N 0.973 120.940 119.914 0.087 0.000 2.343 17 V HA -0.196 3.924 4.120 0.001 0.000 0.247 17 V C 2.451 178.610 176.094 0.108 0.000 1.051 17 V CA 1.902 64.254 62.300 0.087 0.000 1.036 17 V CB -0.975 30.885 31.823 0.061 0.000 0.654 17 V HN 0.527 nan 8.190 nan 0.000 0.451 18 G N -1.229 107.642 108.800 0.118 0.000 2.462 18 G HA2 -0.305 3.655 3.960 0.001 0.000 0.220 18 G HA3 -0.305 3.655 3.960 0.001 0.000 0.220 18 G C 1.511 176.527 174.900 0.193 0.000 1.121 18 G CA 0.911 46.092 45.100 0.135 0.000 0.758 18 G HN 0.537 nan 8.290 nan 0.000 0.559 19 F N 0.710 120.688 119.950 0.046 0.000 2.335 19 F HA 0.111 4.639 4.527 0.001 0.000 0.296 19 F C 2.501 178.303 175.800 0.005 0.000 1.091 19 F CA 0.593 58.601 58.000 0.013 0.000 1.399 19 F CB 0.115 39.056 39.000 -0.097 0.000 1.067 19 F HN -0.014 nan 8.300 nan 0.000 0.520 20 V N 1.032 120.984 119.914 0.064 0.000 2.261 20 V HA -0.253 3.867 4.120 0.001 0.000 0.246 20 V C 2.447 178.532 176.094 -0.014 0.000 1.047 20 V CA 1.822 64.117 62.300 -0.008 0.000 1.015 20 V CB -0.651 31.208 31.823 0.060 0.000 0.642 20 V HN 0.210 nan 8.190 nan 0.000 0.446 21 R N -1.001 119.516 120.500 0.029 0.000 2.280 21 R HA 0.008 4.349 4.340 0.001 0.000 0.207 21 R C 1.964 178.270 176.300 0.010 0.000 1.043 21 R CA 0.798 56.912 56.100 0.024 0.000 1.006 21 R CB -0.851 29.475 30.300 0.042 0.000 0.885 21 R HN 0.606 nan 8.270 nan 0.000 0.467 22 F N 0.186 120.048 119.950 -0.147 0.000 2.128 22 F HA -0.133 4.394 4.527 0.001 0.000 0.295 22 F C 2.004 177.655 175.800 -0.248 0.000 1.100 22 F CA 0.925 58.821 58.000 -0.175 0.000 1.260 22 F CB -0.478 38.409 39.000 -0.188 0.000 1.009 22 F HN -0.067 nan 8.300 nan 0.000 0.476 23 F N 1.479 121.137 119.950 -0.487 0.000 2.161 23 F HA -0.231 4.296 4.527 0.001 0.000 0.300 23 F C 2.342 177.943 175.800 -0.331 0.000 1.089 23 F CA 2.030 59.724 58.000 -0.509 0.000 1.282 23 F CB -0.562 38.087 39.000 -0.585 0.000 1.010 23 F HN 0.102 nan 8.300 nan 0.000 0.485 24 Q N -0.703 118.981 119.800 -0.194 0.000 2.172 24 Q HA -0.034 4.306 4.340 0.001 0.000 0.200 24 Q C 2.417 178.265 176.000 -0.254 0.000 0.964 24 Q CA 1.042 56.732 55.803 -0.188 0.000 0.855 24 Q CB -0.580 28.127 28.738 -0.052 0.000 0.918 24 Q HN 0.535 nan 8.270 nan 0.000 0.444 25 G N 0.219 108.849 108.800 -0.283 0.000 2.650 25 G HA2 -0.019 3.942 3.960 0.001 0.000 0.214 25 G HA3 -0.019 3.942 3.960 0.001 0.000 0.214 25 G C 0.580 175.256 174.900 -0.373 0.000 1.136 25 G CA -0.181 44.755 45.100 -0.273 0.000 0.789 25 G HN 0.131 nan 8.290 nan 0.000 0.536 26 M N 1.139 120.409 119.600 -0.550 0.000 2.252 26 M HA 0.178 4.658 4.480 0.001 0.000 0.333 26 M C -1.870 174.233 176.300 -0.328 0.000 1.111 26 M CA -1.356 53.625 55.300 -0.533 0.000 1.140 26 M CB 0.258 32.458 32.600 -0.668 0.000 1.538 26 M HN -0.149 nan 8.290 nan 0.000 0.448 27 P HA -0.130 nan 4.420 nan 0.000 0.266 27 P C -0.629 176.597 177.300 -0.123 0.000 1.180 27 P CA 0.217 63.242 63.100 -0.124 0.000 0.765 27 P CB 0.277 31.942 31.700 -0.060 0.000 0.806 28 E N 2.119 122.268 120.200 -0.083 0.000 2.966 28 E HA -0.171 4.179 4.350 0.001 0.000 0.254 28 E C -0.131 176.438 176.600 -0.052 0.000 0.923 28 E CA 0.546 56.907 56.400 -0.065 0.000 0.960 28 E CB 0.095 29.774 29.700 -0.036 0.000 0.901 28 E HN 0.171 nan 8.360 nan 0.000 0.525 29 K N 6.378 126.742 120.400 -0.060 0.000 2.316 29 K HA 0.338 4.659 4.320 0.001 0.000 0.267 29 K C -2.397 174.212 176.600 0.015 0.000 1.025 29 K CA -2.024 54.246 56.287 -0.028 0.000 0.896 29 K CB 1.010 33.469 32.500 -0.068 0.000 1.124 29 K HN 0.291 nan 8.250 nan 0.000 0.451 30 P HA 0.046 nan 4.420 nan 0.000 0.272 30 P C 0.477 177.825 177.300 0.080 0.000 1.230 30 P CA -0.429 62.698 63.100 0.045 0.000 0.788 30 P CB 0.930 32.654 31.700 0.040 0.000 0.949 31 T N -3.810 110.794 114.554 0.083 0.000 3.035 31 T HA -0.104 4.247 4.350 0.001 0.000 0.268 31 T C 1.225 176.043 174.700 0.196 0.000 1.109 31 T CA 1.312 63.495 62.100 0.139 0.000 1.119 31 T CB -1.206 67.734 68.868 0.121 0.000 0.900 31 T HN 0.518 nan 8.240 nan 0.000 0.503 32 T N 0.829 115.433 114.554 0.084 0.000 3.219 32 T HA 0.206 4.556 4.350 0.001 0.000 0.249 32 T C 0.621 175.411 174.700 0.149 0.000 1.099 32 T CA -0.008 62.096 62.100 0.008 0.000 0.988 32 T CB -0.843 67.954 68.868 -0.119 0.000 0.999 32 T HN 0.618 nan 8.240 nan 0.000 0.550 33 T N -0.688 113.980 114.554 0.189 0.000 2.841 33 T HA 0.687 5.037 4.350 0.001 0.000 0.283 33 T C -0.839 173.974 174.700 0.187 0.000 1.000 33 T CA -0.788 61.413 62.100 0.169 0.000 0.977 33 T CB 2.026 70.970 68.868 0.125 0.000 0.979 33 T HN 0.002 nan 8.240 nan 0.000 0.446 34 V N 3.412 123.414 119.914 0.146 0.000 2.409 34 V HA 0.472 4.592 4.120 0.001 0.000 0.290 34 V C 0.066 176.252 176.094 0.154 0.000 1.017 34 V CA -0.943 61.431 62.300 0.123 0.000 0.841 34 V CB 1.251 33.059 31.823 -0.025 0.000 1.003 34 V HN 0.848 nan 8.190 nan 0.000 0.426 35 R N 5.027 125.665 120.500 0.229 0.000 2.297 35 R HA 0.777 5.117 4.340 0.001 0.000 0.308 35 R C -1.155 175.283 176.300 0.230 0.000 1.029 35 R CA -0.431 55.813 56.100 0.239 0.000 0.929 35 R CB 1.221 31.667 30.300 0.243 0.000 1.046 35 R HN 0.571 nan 8.270 nan 0.000 0.461 36 L N 4.052 125.387 121.223 0.185 0.000 2.439 36 L HA 0.450 4.790 4.340 0.001 0.000 0.270 36 L C -0.984 176.037 176.870 0.252 0.000 0.972 36 L CA -0.642 54.379 54.840 0.302 0.000 0.836 36 L CB 1.384 43.689 42.059 0.410 0.000 1.255 36 L HN 0.478 nan 8.230 nan 0.000 0.404 37 F N 1.026 121.212 119.950 0.393 0.000 2.411 37 F HA 0.259 4.786 4.527 0.001 0.000 0.350 37 F C 0.685 176.662 175.800 0.295 0.000 1.114 37 F CA -0.404 57.782 58.000 0.309 0.000 1.135 37 F CB 0.927 39.925 39.000 -0.005 0.000 1.120 37 F HN 0.409 nan 8.300 nan 0.000 0.495 38 D N 2.367 123.025 120.400 0.429 0.000 2.304 38 D HA 0.221 4.861 4.640 0.001 0.000 0.250 38 D C 0.692 177.059 176.300 0.112 0.000 1.107 38 D CA -0.059 53.947 54.000 0.010 0.000 0.885 38 D CB 0.864 41.636 40.800 -0.047 0.000 1.192 38 D HN 0.391 nan 8.370 nan 0.000 0.436 39 R N 2.111 122.544 120.500 -0.111 0.000 2.419 39 R HA 0.278 4.619 4.340 0.001 0.000 0.235 39 R C 1.274 177.518 176.300 -0.094 0.000 0.899 39 R CA 0.499 56.585 56.100 -0.023 0.000 1.048 39 R CB 0.824 31.113 30.300 -0.018 0.000 1.182 39 R HN 0.704 nan 8.270 nan 0.000 0.544 40 G N 1.481 110.168 108.800 -0.190 0.000 4.024 40 G HA2 -0.292 3.668 3.960 0.001 0.000 0.206 40 G HA3 -0.292 3.668 3.960 0.001 0.000 0.206 40 G C 0.664 175.487 174.900 -0.128 0.000 1.608 40 G CA 0.258 45.274 45.100 -0.140 0.000 1.221 40 G HN 0.241 nan 8.290 nan 0.000 0.623 41 D N 2.187 122.535 120.400 -0.087 0.000 2.219 41 D HA 0.464 5.104 4.640 0.001 0.000 0.205 41 D C 1.339 177.610 176.300 -0.050 0.000 0.970 41 D CA 2.058 56.027 54.000 -0.052 0.000 0.851 41 D CB 0.242 41.023 40.800 -0.032 0.000 0.943 41 D HN 1.083 nan 8.370 nan 0.000 0.488 42 A N -1.685 121.078 122.820 -0.096 0.000 2.524 42 A HA 0.595 4.915 4.320 0.001 0.000 0.303 42 A C -1.600 175.874 177.584 -0.183 0.000 1.195 42 A CA -0.706 51.302 52.037 -0.049 0.000 0.651 42 A CB 0.538 19.558 19.000 0.034 0.000 1.323 42 A HN -0.016 nan 8.150 nan 0.000 0.479 43 Y N -1.154 119.158 120.300 0.020 0.000 2.659 43 Y HA 0.820 5.370 4.550 0.001 0.000 0.333 43 Y C 0.577 176.523 175.900 0.076 0.000 1.064 43 Y CA 0.088 58.211 58.100 0.038 0.000 1.141 43 Y CB 2.334 40.791 38.460 -0.005 0.000 1.316 43 Y HN 0.818 nan 8.280 nan 0.000 0.509 44 T N 0.290 115.034 114.554 0.317 0.000 3.012 44 T HA 0.774 5.124 4.350 0.001 0.000 0.330 44 T C -1.838 172.949 174.700 0.145 0.000 1.321 44 T CA -0.475 61.697 62.100 0.120 0.000 1.067 44 T CB 0.717 69.574 68.868 -0.018 0.000 1.235 44 T HN 0.880 nan 8.240 nan 0.000 0.479 45 A N 3.666 126.429 122.820 -0.094 0.000 2.355 45 A HA 0.884 5.204 4.320 0.001 0.000 0.324 45 A C -0.945 176.382 177.584 -0.429 0.000 1.117 45 A CA -0.588 51.444 52.037 -0.009 0.000 0.785 45 A CB 1.012 20.078 19.000 0.110 0.000 1.254 45 A HN 0.914 nan 8.150 nan 0.000 0.453 46 H N -0.141 118.937 119.070 0.012 0.000 2.895 46 H HA 0.570 5.127 4.556 0.001 0.000 0.373 46 H C 0.928 176.101 175.328 -0.257 0.000 1.174 46 H CA 0.207 56.054 56.048 -0.335 0.000 1.144 46 H CB 1.735 30.953 29.762 -0.906 0.000 1.793 46 H HN 1.442 nan 8.280 nan 0.000 0.551 47 G N 1.928 110.683 108.800 -0.075 0.000 2.596 47 G HA2 -0.364 3.597 3.960 0.001 0.000 0.304 47 G HA3 -0.364 3.597 3.960 0.001 0.000 0.304 47 G C 0.990 175.984 174.900 0.156 0.000 1.189 47 G CA 0.655 45.837 45.100 0.135 0.000 0.986 47 G HN 0.623 nan 8.290 nan 0.000 0.548 48 E N 1.379 121.715 120.200 0.228 0.000 2.268 48 E HA -0.024 4.326 4.350 0.001 0.000 0.195 48 E C 1.818 178.517 176.600 0.165 0.000 0.995 48 E CA 1.555 58.062 56.400 0.178 0.000 0.836 48 E CB -0.209 29.602 29.700 0.186 0.000 0.763 48 E HN 0.605 nan 8.360 nan 0.000 0.491 49 D N 0.421 120.942 120.400 0.201 0.000 2.305 49 D HA 0.070 4.711 4.640 0.001 0.000 0.206 49 D C 1.729 178.108 176.300 0.131 0.000 0.974 49 D CA 0.863 54.982 54.000 0.199 0.000 0.871 49 D CB 0.006 40.970 40.800 0.272 0.000 0.947 49 D HN 0.141 nan 8.370 nan 0.000 0.516 50 A N 0.557 123.410 122.820 0.054 0.000 1.930 50 A HA -0.002 4.318 4.320 0.001 0.000 0.215 50 A C 2.176 179.741 177.584 -0.033 0.000 1.176 50 A CA 0.580 52.591 52.037 -0.043 0.000 0.632 50 A CB -0.558 18.366 19.000 -0.126 0.000 0.819 50 A HN 0.164 nan 8.150 nan 0.000 0.445 51 L N -1.038 120.190 121.223 0.008 0.000 2.156 51 L HA -0.091 4.249 4.340 0.001 0.000 0.208 51 L C 2.415 179.298 176.870 0.022 0.000 1.095 51 L CA 0.603 55.452 54.840 0.015 0.000 0.770 51 L CB -0.365 41.722 42.059 0.047 0.000 0.914 51 L HN 0.395 nan 8.230 nan 0.000 0.439 52 L N -0.064 121.187 121.223 0.046 0.000 2.179 52 L HA 0.008 4.348 4.340 0.001 0.000 0.208 52 L C 2.543 179.397 176.870 -0.027 0.000 1.096 52 L CA 1.670 56.540 54.840 0.051 0.000 0.779 52 L CB -0.549 41.570 42.059 0.100 0.000 0.922 52 L HN 0.108 nan 8.230 nan 0.000 0.443 53 A N -0.773 121.982 122.820 -0.109 0.000 1.929 53 A HA 0.046 4.366 4.320 0.001 0.000 0.216 53 A C 2.395 179.897 177.584 -0.138 0.000 1.176 53 A CA 1.315 53.096 52.037 -0.427 0.000 0.628 53 A CB -0.846 17.980 19.000 -0.291 0.000 0.816 53 A HN 0.478 nan 8.150 nan 0.000 0.444 54 A N -0.220 122.593 122.820 -0.012 0.000 1.897 54 A HA -0.076 4.244 4.320 0.001 0.000 0.215 54 A C 2.222 179.833 177.584 0.044 0.000 1.181 54 A CA 1.325 53.401 52.037 0.065 0.000 0.620 54 A CB -0.345 18.643 19.000 -0.020 0.000 0.821 54 A HN 0.493 nan 8.150 nan 0.000 0.443 55 R N -0.966 119.532 120.500 -0.003 0.000 2.200 55 R HA 0.028 4.369 4.340 0.001 0.000 0.208 55 R C 1.377 177.661 176.300 -0.025 0.000 1.033 55 R CA 0.962 57.061 56.100 -0.001 0.000 1.000 55 R CB 0.109 30.417 30.300 0.012 0.000 0.906 55 R HN 0.459 nan 8.270 nan 0.000 0.462 56 E N -0.440 119.714 120.200 -0.078 0.000 2.256 56 E HA 0.020 4.371 4.350 0.001 0.000 0.198 56 E C 2.042 178.530 176.600 -0.187 0.000 0.908 56 E CA 0.506 56.851 56.400 -0.091 0.000 0.915 56 E CB 0.031 29.720 29.700 -0.018 0.000 0.890 56 E HN -0.006 nan 8.360 nan 0.000 0.484 57 V N 0.998 120.681 119.914 -0.385 0.000 2.231 57 V HA -0.155 3.965 4.120 0.001 0.000 0.240 57 V C 2.071 177.838 176.094 -0.546 0.000 1.039 57 V CA 1.710 63.640 62.300 -0.617 0.000 0.998 57 V CB -0.617 30.524 31.823 -1.137 0.000 0.639 57 V HN 0.089 nan 8.190 nan 0.000 0.451 58 F N -0.000 119.855 119.950 -0.158 0.000 2.615 58 F HA 0.189 4.716 4.527 0.001 0.000 0.297 58 F C 1.416 177.169 175.800 -0.078 0.000 1.124 58 F CA 0.234 58.171 58.000 -0.106 0.000 1.451 58 F CB -0.613 38.321 39.000 -0.110 0.000 1.103 58 F HN 0.085 nan 8.300 nan 0.000 0.569 59 K N 0.607 121.043 120.400 0.061 0.000 3.071 59 K HA -0.214 4.106 4.320 0.001 0.000 0.265 59 K C 0.053 176.680 176.600 0.045 0.000 1.060 59 K CA 0.907 57.212 56.287 0.030 0.000 0.767 59 K CB -1.960 30.543 32.500 0.005 0.000 1.241 59 K HN 0.347 nan 8.250 nan 0.000 0.486 60 T N -1.157 113.435 114.554 0.063 0.000 3.012 60 T HA 0.234 4.584 4.350 0.001 0.000 0.330 60 T C -0.660 174.043 174.700 0.005 0.000 1.321 60 T CA -0.688 61.431 62.100 0.031 0.000 1.067 60 T CB 1.713 70.595 68.868 0.023 0.000 1.235 60 T HN 0.190 nan 8.240 nan 0.000 0.479 61 Q N 2.073 121.869 119.800 -0.008 0.000 2.212 61 Q HA 0.270 4.611 4.340 0.001 0.000 0.213 61 Q C 1.430 177.403 176.000 -0.045 0.000 0.874 61 Q CA -0.120 55.667 55.803 -0.026 0.000 0.965 61 Q CB 0.447 29.188 28.738 0.005 0.000 1.074 61 Q HN 0.788 nan 8.270 nan 0.000 0.473 62 G N 0.096 108.859 108.800 -0.061 0.000 3.337 62 G HA2 0.088 4.049 3.960 0.001 0.000 0.246 62 G HA3 0.088 4.049 3.960 0.001 0.000 0.246 62 G C 1.072 175.891 174.900 -0.134 0.000 1.131 62 G CA 0.012 45.071 45.100 -0.069 0.000 0.773 62 G HN 0.298 nan 8.290 nan 0.000 0.544 63 V N -2.072 117.717 119.914 -0.209 0.000 3.661 63 V HA 0.418 4.539 4.120 0.001 0.000 0.271 63 V C 1.014 176.929 176.094 -0.298 0.000 1.315 63 V CA -0.417 61.685 62.300 -0.329 0.000 1.072 63 V CB -0.316 31.135 31.823 -0.620 0.000 0.830 63 V HN 0.182 nan 8.190 nan 0.000 0.443 64 I N 3.296 123.710 120.570 -0.261 0.000 2.578 64 I HA 0.197 4.367 4.170 0.001 0.000 0.286 64 I C 0.145 176.026 176.117 -0.394 0.000 1.126 64 I CA 0.385 61.471 61.300 -0.358 0.000 1.380 64 I CB 0.177 37.935 38.000 -0.403 0.000 1.408 64 I HN 0.114 nan 8.210 nan 0.000 0.532 65 K N 6.820 127.004 120.400 -0.360 0.000 2.159 65 K HA 0.440 4.760 4.320 0.001 0.000 0.266 65 K C -0.907 175.509 176.600 -0.307 0.000 0.975 65 K CA -0.688 55.460 56.287 -0.231 0.000 0.865 65 K CB 1.484 33.900 32.500 -0.141 0.000 1.087 65 K HN 0.270 nan 8.250 nan 0.000 0.446 66 Y N 1.996 122.284 120.300 -0.021 0.000 2.387 66 Y HA 0.466 5.017 4.550 0.001 0.000 0.330 66 Y C 0.639 176.542 175.900 0.005 0.000 1.133 66 Y CA -0.797 57.301 58.100 -0.004 0.000 1.152 66 Y CB 1.544 40.002 38.460 -0.002 0.000 1.215 66 Y HN 0.438 nan 8.280 nan 0.000 0.466 67 M N 1.249 120.956 119.600 0.178 0.000 2.421 67 M HA 0.948 5.429 4.480 0.001 0.000 0.287 67 M C -0.674 175.689 176.300 0.105 0.000 1.183 67 M CA -0.493 54.874 55.300 0.111 0.000 0.916 67 M CB 2.594 35.240 32.600 0.078 0.000 1.701 67 M HN 0.747 nan 8.290 nan 0.000 0.470 68 G N 1.508 110.356 108.800 0.080 0.000 2.399 68 G HA2 0.506 4.467 3.960 0.001 0.000 0.256 68 G HA3 0.506 4.467 3.960 0.001 0.000 0.256 68 G C -3.508 171.422 174.900 0.051 0.000 1.236 68 G CA -0.587 44.553 45.100 0.067 0.000 0.914 68 G HN 0.593 nan 8.290 nan 0.000 0.482 69 P HA 0.396 nan 4.420 nan 0.000 0.282 69 P C 1.219 178.533 177.300 0.024 0.000 1.286 69 P CA 0.769 63.888 63.100 0.031 0.000 0.777 69 P CB 0.571 32.287 31.700 0.027 0.000 1.184 70 A N 0.003 122.834 122.820 0.018 0.000 1.908 70 A HA -0.073 4.247 4.320 0.001 0.000 0.218 70 A C 2.025 179.614 177.584 0.008 0.000 1.181 70 A CA 2.260 54.304 52.037 0.013 0.000 0.627 70 A CB -1.726 17.280 19.000 0.010 0.000 0.818 70 A HN 0.652 nan 8.150 nan 0.000 0.445 71 G N -0.786 108.018 108.800 0.006 0.000 2.751 71 G HA2 0.386 4.347 3.960 0.001 0.000 0.187 71 G HA3 0.386 4.347 3.960 0.001 0.000 0.187 71 G C 0.768 175.664 174.900 -0.007 0.000 1.733 71 G CA 0.476 45.575 45.100 -0.001 0.000 0.898 71 G HN 0.944 nan 8.290 nan 0.000 0.408 72 A N -0.725 122.090 122.820 -0.009 0.000 2.351 72 A HA 0.601 4.922 4.320 0.001 0.000 0.257 72 A C -0.017 177.565 177.584 -0.003 0.000 1.087 72 A CA -0.116 51.908 52.037 -0.021 0.000 0.798 72 A CB 0.345 19.332 19.000 -0.020 0.000 1.033 72 A HN 0.411 nan 8.150 nan 0.000 0.488 73 K N 2.010 122.399 120.400 -0.017 0.000 2.753 73 K HA 0.178 4.498 4.320 0.001 0.000 0.185 73 K C -0.377 176.268 176.600 0.075 0.000 1.071 73 K CA -0.490 55.824 56.287 0.044 0.000 0.999 73 K CB 0.758 33.309 32.500 0.086 0.000 1.244 73 K HN 0.600 nan 8.250 nan 0.000 0.594 74 N N 0.814 119.560 118.700 0.078 0.000 2.459 74 N HA -0.079 4.662 4.740 0.001 0.000 0.181 74 N C 0.131 175.752 175.510 0.185 0.000 1.046 74 N CA 0.460 53.574 53.050 0.107 0.000 0.904 74 N CB 0.131 38.662 38.487 0.073 0.000 0.964 74 N HN 0.324 nan 8.380 nan 0.000 0.444 75 L N 2.047 123.380 121.223 0.183 0.000 2.278 75 L HA 0.185 4.525 4.340 0.001 0.000 0.287 75 L C -0.407 176.548 176.870 0.142 0.000 1.072 75 L CA -0.335 54.590 54.840 0.140 0.000 0.819 75 L CB 0.610 42.712 42.059 0.070 0.000 1.176 75 L HN -0.046 nan 8.230 nan 0.000 0.435 76 Q N 2.730 122.560 119.800 0.049 0.000 2.293 76 Q HA 0.610 4.950 4.340 0.001 0.000 0.251 76 Q C -0.753 175.150 176.000 -0.163 0.000 0.930 76 Q CA 0.074 55.771 55.803 -0.177 0.000 0.893 76 Q CB 1.358 30.009 28.738 -0.144 0.000 1.215 76 Q HN 0.685 nan 8.270 nan 0.000 0.425 77 S N 0.810 116.346 115.700 -0.273 0.000 2.619 77 S HA 0.639 5.110 4.470 0.001 0.000 0.280 77 S C -1.288 173.123 174.600 -0.315 0.000 1.150 77 S CA -0.776 57.244 58.200 -0.300 0.000 0.978 77 S CB 1.413 64.537 63.200 -0.127 0.000 1.041 77 S HN 0.305 nan 8.310 nan 0.000 0.485 78 V N 3.036 122.758 119.914 -0.320 0.000 2.588 78 V HA 0.461 4.581 4.120 0.001 0.000 0.304 78 V C -0.326 175.665 176.094 -0.171 0.000 1.042 78 V CA -0.764 61.387 62.300 -0.248 0.000 0.877 78 V CB 2.011 33.713 31.823 -0.201 0.000 0.996 78 V HN 0.714 nan 8.190 nan 0.000 0.425 79 V N 6.314 126.135 119.914 -0.154 0.000 2.530 79 V HA 0.392 4.513 4.120 0.001 0.000 0.282 79 V C -0.074 176.067 176.094 0.077 0.000 1.048 79 V CA -0.205 62.068 62.300 -0.045 0.000 0.997 79 V CB 1.233 33.020 31.823 -0.061 0.000 0.987 79 V HN 0.602 nan 8.190 nan 0.000 0.477 80 L N 4.886 126.224 121.223 0.191 0.000 2.333 80 L HA 0.510 4.851 4.340 0.001 0.000 0.280 80 L C 0.509 177.556 176.870 0.295 0.000 1.004 80 L CA -0.281 54.737 54.840 0.296 0.000 0.820 80 L CB 2.131 44.375 42.059 0.308 0.000 1.247 80 L HN 0.792 nan 8.230 nan 0.000 0.416 81 S N 1.484 117.337 115.700 0.256 0.000 2.614 81 S HA 0.178 4.648 4.470 0.001 0.000 0.265 81 S C 1.064 175.839 174.600 0.292 0.000 1.303 81 S CA -0.645 57.689 58.200 0.223 0.000 1.000 81 S CB 1.074 64.368 63.200 0.157 0.000 0.935 81 S HN 0.770 nan 8.310 nan 0.000 0.551 82 K N 0.766 121.337 120.400 0.286 0.000 2.173 82 K HA -0.235 4.085 4.320 0.001 0.000 0.207 82 K C 1.954 178.711 176.600 0.262 0.000 1.046 82 K CA 1.659 58.150 56.287 0.340 0.000 0.929 82 K CB -0.487 32.159 32.500 0.244 0.000 0.720 82 K HN 0.677 nan 8.250 nan 0.000 0.453 83 M N 1.711 121.413 119.600 0.170 0.000 2.115 83 M HA -0.134 4.347 4.480 0.001 0.000 0.261 83 M C 1.556 177.896 176.300 0.066 0.000 1.079 83 M CA 1.718 57.077 55.300 0.099 0.000 1.143 83 M CB -0.245 32.394 32.600 0.065 0.000 1.332 83 M HN 0.259 nan 8.290 nan 0.000 0.421 84 N N -0.113 118.631 118.700 0.073 0.000 2.060 84 N HA -0.254 4.487 4.740 0.001 0.000 0.195 84 N C 1.657 177.177 175.510 0.017 0.000 1.028 84 N CA 1.796 54.842 53.050 -0.006 0.000 0.861 84 N CB -0.488 38.013 38.487 0.022 0.000 1.029 84 N HN 0.323 nan 8.380 nan 0.000 0.428 85 F N 2.212 122.122 119.950 -0.066 0.000 2.091 85 F HA -0.199 4.328 4.527 0.001 0.000 0.299 85 F C 2.134 177.809 175.800 -0.210 0.000 1.103 85 F CA 1.533 59.423 58.000 -0.182 0.000 1.228 85 F CB -0.227 38.457 39.000 -0.527 0.000 0.984 85 F HN 0.056 nan 8.300 nan 0.000 0.477 86 E N -0.497 119.529 120.200 -0.290 0.000 2.031 86 E HA -0.229 4.121 4.350 0.001 0.000 0.193 86 E C 2.408 178.810 176.600 -0.331 0.000 0.994 86 E CA 1.413 57.569 56.400 -0.408 0.000 0.800 86 E CB -0.564 29.048 29.700 -0.146 0.000 0.752 86 E HN 0.409 nan 8.360 nan 0.000 0.447 87 S N 0.164 115.756 115.700 -0.179 0.000 2.374 87 S HA -0.203 4.268 4.470 0.001 0.000 0.227 87 S C 1.779 176.311 174.600 -0.113 0.000 1.037 87 S CA 1.053 59.172 58.200 -0.137 0.000 1.024 87 S CB -0.307 62.827 63.200 -0.110 0.000 0.861 87 S HN 0.276 nan 8.310 nan 0.000 0.456 88 F N 2.138 121.893 119.950 -0.325 0.000 2.075 88 F HA 0.006 4.533 4.527 0.001 0.000 0.297 88 F C 2.290 177.873 175.800 -0.360 0.000 1.113 88 F CA 1.195 59.004 58.000 -0.318 0.000 1.218 88 F CB -1.067 37.760 39.000 -0.288 0.000 0.984 88 F HN 0.068 nan 8.300 nan 0.000 0.472 89 V N 0.671 120.241 119.914 -0.573 0.000 2.407 89 V HA -0.323 3.798 4.120 0.001 0.000 0.248 89 V C 2.377 178.183 176.094 -0.479 0.000 1.055 89 V CA 2.180 64.050 62.300 -0.717 0.000 1.049 89 V CB -0.683 30.477 31.823 -1.106 0.000 0.662 89 V HN 0.275 nan 8.190 nan 0.000 0.455 90 K N -0.056 120.119 120.400 -0.375 0.000 2.032 90 K HA -0.249 4.071 4.320 0.001 0.000 0.209 90 K C 1.975 178.471 176.600 -0.174 0.000 1.048 90 K CA 1.989 58.134 56.287 -0.236 0.000 0.927 90 K CB -0.329 32.063 32.500 -0.181 0.000 0.712 90 K HN 0.469 nan 8.250 nan 0.000 0.441 91 D N 0.780 121.082 120.400 -0.163 0.000 2.178 91 D HA -0.092 4.549 4.640 0.001 0.000 0.202 91 D C 1.657 177.881 176.300 -0.127 0.000 0.974 91 D CA 0.771 54.708 54.000 -0.106 0.000 0.841 91 D CB 0.070 40.841 40.800 -0.048 0.000 0.953 91 D HN 0.066 nan 8.370 nan 0.000 0.478 92 L N -0.405 120.663 121.223 -0.257 0.000 2.275 92 L HA -0.042 4.298 4.340 0.001 0.000 0.215 92 L C 1.898 178.721 176.870 -0.078 0.000 1.119 92 L CA 0.549 55.238 54.840 -0.253 0.000 0.790 92 L CB -0.023 41.726 42.059 -0.517 0.000 0.919 92 L HN 0.194 nan 8.230 nan 0.000 0.443 93 L N -2.112 119.054 121.223 -0.095 0.000 2.547 93 L HA 0.061 4.402 4.340 0.001 0.000 0.218 93 L C 2.024 178.880 176.870 -0.023 0.000 1.048 93 L CA 0.085 54.903 54.840 -0.037 0.000 0.859 93 L CB -0.027 42.006 42.059 -0.044 0.000 1.128 93 L HN 0.089 nan 8.230 nan 0.000 0.483 94 L N -0.912 120.285 121.223 -0.042 0.000 2.162 94 L HA 0.009 4.349 4.340 0.001 0.000 0.205 94 L C 1.993 178.849 176.870 -0.023 0.000 1.086 94 L CA 0.513 55.333 54.840 -0.034 0.000 0.778 94 L CB -0.137 41.894 42.059 -0.046 0.000 0.928 94 L HN 0.050 nan 8.230 nan 0.000 0.446 95 V N -1.054 118.851 119.914 -0.014 0.000 2.868 95 V HA 0.034 4.155 4.120 0.001 0.000 0.227 95 V C 2.144 178.258 176.094 0.034 0.000 1.136 95 V CA 0.304 62.605 62.300 0.003 0.000 1.206 95 V CB -0.387 31.436 31.823 0.001 0.000 0.997 95 V HN 0.194 nan 8.190 nan 0.000 0.505 96 R N 0.542 121.089 120.500 0.078 0.000 2.341 96 R HA -0.037 4.303 4.340 0.001 0.000 0.213 96 R C -0.134 176.281 176.300 0.192 0.000 1.082 96 R CA 0.345 56.557 56.100 0.187 0.000 1.017 96 R CB -0.163 30.302 30.300 0.274 0.000 0.860 96 R HN 0.534 nan 8.270 nan 0.000 0.473 97 Q N -1.216 118.640 119.800 0.094 0.000 2.451 97 Q HA -0.209 4.131 4.340 0.001 0.000 0.334 97 Q C -1.408 174.502 176.000 -0.150 0.000 1.462 97 Q CA 1.231 57.017 55.803 -0.029 0.000 0.876 97 Q CB -2.177 26.503 28.738 -0.096 0.000 1.125 97 Q HN 0.406 nan 8.270 nan 0.000 0.358 98 Y N -0.509 119.765 120.300 -0.043 0.000 2.605 98 Y HA 0.613 5.164 4.550 0.001 0.000 0.343 98 Y C 0.956 176.835 175.900 -0.035 0.000 1.036 98 Y CA -1.212 56.864 58.100 -0.040 0.000 1.065 98 Y CB 1.434 39.851 38.460 -0.072 0.000 1.288 98 Y HN 0.269 nan 8.280 nan 0.000 0.481 99 R N 0.343 120.935 120.500 0.153 0.000 2.732 99 R HA 0.893 5.233 4.340 0.001 0.000 0.278 99 R C -2.012 174.341 176.300 0.089 0.000 0.976 99 R CA -0.823 55.341 56.100 0.105 0.000 0.963 99 R CB 1.558 31.922 30.300 0.107 0.000 1.150 99 R HN 0.389 nan 8.270 nan 0.000 0.478 100 V N 1.378 121.337 119.914 0.076 0.000 2.628 100 V HA 0.388 4.509 4.120 0.001 0.000 0.306 100 V C -0.404 175.757 176.094 0.111 0.000 1.045 100 V CA -0.810 61.532 62.300 0.070 0.000 0.905 100 V CB 1.771 33.611 31.823 0.028 0.000 0.997 100 V HN 0.815 nan 8.190 nan 0.000 0.436 101 E N 2.328 122.593 120.200 0.109 0.000 2.218 101 E HA 0.584 4.934 4.350 0.001 0.000 0.263 101 E C -1.583 175.038 176.600 0.036 0.000 0.879 101 E CA -0.535 55.885 56.400 0.033 0.000 0.762 101 E CB 2.597 32.331 29.700 0.056 0.000 1.166 101 E HN 0.443 nan 8.360 nan 0.000 0.415 102 V N 3.612 123.511 119.914 -0.024 0.000 2.435 102 V HA 0.358 4.479 4.120 0.001 0.000 0.290 102 V C -1.033 174.932 176.094 -0.214 0.000 1.030 102 V CA -0.702 61.662 62.300 0.106 0.000 0.881 102 V CB 0.623 32.706 31.823 0.433 0.000 0.983 102 V HN 0.588 nan 8.190 nan 0.000 0.445 103 Y N 3.016 123.335 120.300 0.031 0.000 2.341 103 Y HA 0.538 5.088 4.550 0.001 0.000 0.338 103 Y C 0.338 176.389 175.900 0.251 0.000 0.965 103 Y CA -0.668 57.471 58.100 0.065 0.000 1.108 103 Y CB 1.852 40.295 38.460 -0.027 0.000 1.180 103 Y HN 0.460 nan 8.280 nan 0.000 0.458 104 K N 1.989 122.418 120.400 0.050 0.000 2.164 104 K HA 0.280 4.601 4.320 0.001 0.000 0.258 104 K C -0.820 175.731 176.600 -0.081 0.000 0.951 104 K CA -1.114 55.141 56.287 -0.054 0.000 0.844 104 K CB 1.442 33.716 32.500 -0.377 0.000 1.099 104 K HN 0.548 nan 8.250 nan 0.000 0.435 105 N N 1.572 120.103 118.700 -0.282 0.000 2.472 105 N HA 0.042 4.783 4.740 0.001 0.000 0.277 105 N C -0.565 174.793 175.510 -0.254 0.000 1.081 105 N CA -0.389 52.217 53.050 -0.739 0.000 0.973 105 N CB 0.811 38.649 38.487 -1.081 0.000 1.105 105 N HN 0.268 nan 8.380 nan 0.000 0.470 106 R N 2.988 123.388 120.500 -0.168 0.000 3.710 106 R HA 0.387 4.727 4.340 0.001 0.000 0.201 106 R C -0.687 175.541 176.300 -0.120 0.000 1.641 106 R CA -0.308 55.772 56.100 -0.033 0.000 1.390 106 R CB -0.971 29.331 30.300 0.004 0.000 1.341 106 R HN 0.594 nan 8.270 nan 0.000 0.728 107 A N 1.145 123.890 122.820 -0.125 0.000 2.401 107 A HA 0.625 4.945 4.320 0.001 0.000 0.259 107 A C 0.340 177.879 177.584 -0.075 0.000 1.103 107 A CA 0.437 52.403 52.037 -0.119 0.000 0.789 107 A CB 0.661 19.590 19.000 -0.117 0.000 1.035 107 A HN 0.701 nan 8.150 nan 0.000 0.491 113 K N 2.473 122.849 120.400 -0.040 0.000 2.682 113 K HA 0.368 4.689 4.320 0.001 0.000 0.189 113 K C -1.236 175.331 176.600 -0.055 0.000 1.062 113 K CA -0.343 55.912 56.287 -0.053 0.000 0.997 113 K CB 1.204 33.682 32.500 -0.037 0.000 1.405 113 K HN 0.260 nan 8.250 nan 0.000 0.588 114 E N 1.401 121.555 120.200 -0.076 0.000 2.338 114 E HA 0.096 4.446 4.350 0.001 0.000 0.272 114 E C -0.401 176.113 176.600 -0.144 0.000 1.029 114 E CA -0.163 56.190 56.400 -0.079 0.000 0.872 114 E CB 0.748 30.405 29.700 -0.072 0.000 1.015 114 E HN 0.240 nan 8.360 nan 0.000 0.417 115 N N 2.637 121.266 118.700 -0.118 0.000 2.426 115 N HA 0.206 4.947 4.740 0.001 0.000 0.257 115 N C -1.042 174.303 175.510 -0.274 0.000 1.002 115 N CA -0.232 52.688 53.050 -0.216 0.000 0.942 115 N CB 0.878 39.359 38.487 -0.010 0.000 1.112 115 N HN 0.279 nan 8.380 nan 0.000 0.499 116 D N 2.203 122.323 120.400 -0.467 0.000 2.318 116 D HA 0.170 4.811 4.640 0.001 0.000 0.233 116 D C -1.466 174.696 176.300 -0.229 0.000 1.348 116 D CA -0.355 53.518 54.000 -0.212 0.000 0.983 116 D CB 0.209 40.955 40.800 -0.091 0.000 1.416 116 D HN 0.266 nan 8.370 nan 0.000 0.558 117 W N 4.397 125.732 121.300 0.058 0.000 2.391 117 W HA 0.461 5.121 4.660 0.001 0.000 0.311 117 W C 0.031 176.837 176.519 0.478 0.000 1.087 117 W CA -0.950 56.559 57.345 0.275 0.000 1.209 117 W CB 0.781 30.439 29.460 0.329 0.000 1.273 117 W HN 0.204 nan 8.180 nan 0.000 0.482 118 Y N 0.980 121.593 120.300 0.521 0.000 2.549 118 Y HA 0.724 5.275 4.550 0.001 0.000 0.339 118 Y C -0.651 175.414 175.900 0.275 0.000 1.053 118 Y CA -2.142 56.176 58.100 0.364 0.000 1.105 118 Y CB 0.720 39.277 38.460 0.162 0.000 1.258 118 Y HN 0.237 nan 8.280 nan 0.000 0.478 119 L N 3.576 124.897 121.223 0.162 0.000 2.454 119 L HA 0.430 4.771 4.340 0.001 0.000 0.284 119 L C 0.893 177.665 176.870 -0.164 0.000 1.139 119 L CA 0.563 55.241 54.840 -0.271 0.000 0.911 119 L CB -0.250 41.699 42.059 -0.184 0.000 1.262 119 L HN 0.984 nan 8.230 nan 0.000 0.453 120 A N 4.551 127.157 122.820 -0.357 0.000 1.872 120 A HA 0.009 4.329 4.320 0.001 0.000 0.214 120 A C 0.081 177.359 177.584 -0.509 0.000 1.187 120 A CA 1.146 52.955 52.037 -0.381 0.000 0.614 120 A CB -0.214 18.513 19.000 -0.455 0.000 0.826 120 A HN 0.580 nan 8.150 nan 0.000 0.442 121 Y N -1.675 118.557 120.300 -0.113 0.000 2.512 121 Y HA 0.604 5.155 4.550 0.001 0.000 0.348 121 Y C -0.142 175.680 175.900 -0.130 0.000 0.990 121 Y CA -1.073 56.946 58.100 -0.134 0.000 1.033 121 Y CB 1.751 40.124 38.460 -0.146 0.000 1.259 121 Y HN 0.122 nan 8.280 nan 0.000 0.461 122 K N 1.825 122.249 120.400 0.040 0.000 2.443 122 K HA 0.932 5.253 4.320 0.001 0.000 0.252 122 K C -1.731 174.870 176.600 0.003 0.000 0.933 122 K CA -0.630 55.657 56.287 0.001 0.000 0.792 122 K CB 1.527 33.993 32.500 -0.056 0.000 1.185 122 K HN 0.796 nan 8.250 nan 0.000 0.425 123 A N 2.128 124.996 122.820 0.080 0.000 2.515 123 A HA 0.740 5.060 4.320 0.001 0.000 0.298 123 A C -1.350 176.299 177.584 0.107 0.000 1.059 123 A CA -0.662 51.446 52.037 0.118 0.000 0.698 123 A CB 1.996 21.185 19.000 0.315 0.000 1.289 123 A HN 0.575 nan 8.150 nan 0.000 0.404 124 S N 1.488 117.256 115.700 0.113 0.000 2.569 124 S HA 0.583 5.053 4.470 0.001 0.000 0.280 124 S C -2.343 172.329 174.600 0.120 0.000 1.111 124 S CA -0.996 57.290 58.200 0.143 0.000 0.887 124 S CB 2.034 65.389 63.200 0.258 0.000 1.095 124 S HN 0.458 nan 8.310 nan 0.000 0.476 125 P HA -0.081 nan 4.420 nan 0.000 0.219 125 P C 1.109 178.445 177.300 0.060 0.000 1.144 125 P CA 1.183 64.314 63.100 0.052 0.000 0.806 125 P CB 0.070 31.782 31.700 0.021 0.000 0.771 126 G N -1.813 107.049 108.800 0.104 0.000 2.742 126 G HA2 -0.049 3.912 3.960 0.001 0.000 0.204 126 G HA3 -0.049 3.912 3.960 0.001 0.000 0.204 126 G C 0.616 175.608 174.900 0.154 0.000 1.126 126 G CA 0.029 45.199 45.100 0.117 0.000 0.829 126 G HN 0.187 nan 8.290 nan 0.000 0.574 127 N N 1.305 120.130 118.700 0.208 0.000 2.508 127 N HA 0.243 4.984 4.740 0.001 0.000 0.253 127 N C 0.300 175.863 175.510 0.089 0.000 1.145 127 N CA -0.056 53.078 53.050 0.139 0.000 0.973 127 N CB 0.077 38.603 38.487 0.066 0.000 1.305 127 N HN 0.100 nan 8.380 nan 0.000 0.506 128 L N 1.548 122.823 121.223 0.087 0.000 2.928 128 L HA 0.221 4.561 4.340 0.001 0.000 0.246 128 L C 1.280 178.187 176.870 0.062 0.000 1.239 128 L CA -0.124 54.768 54.840 0.088 0.000 1.035 128 L CB 0.092 42.205 42.059 0.091 0.000 1.360 128 L HN 0.331 nan 8.230 nan 0.000 0.529 129 S N -0.258 115.463 115.700 0.034 0.000 2.481 129 S HA -0.056 4.414 4.470 0.001 0.000 0.231 129 S C 1.837 176.414 174.600 -0.038 0.000 0.996 129 S CA 0.765 58.979 58.200 0.023 0.000 0.942 129 S CB 0.053 63.277 63.200 0.040 0.000 0.768 129 S HN 0.461 nan 8.310 nan 0.000 0.520 130 Q N -0.384 119.336 119.800 -0.134 0.000 2.302 130 Q HA 0.184 4.524 4.340 0.001 0.000 0.202 130 Q C -0.241 175.411 176.000 -0.580 0.000 0.936 130 Q CA 0.696 56.291 55.803 -0.346 0.000 0.886 130 Q CB 0.087 28.552 28.738 -0.455 0.000 0.986 130 Q HN 0.532 nan 8.270 nan 0.000 0.487 131 F N 1.601 121.501 119.950 -0.083 0.000 2.739 131 F HA 0.162 4.689 4.527 0.001 0.000 0.345 131 F C 1.304 177.077 175.800 -0.045 0.000 1.373 131 F CA -0.627 57.310 58.000 -0.106 0.000 1.160 131 F CB 0.455 39.375 39.000 -0.133 0.000 1.137 131 F HN -0.018 nan 8.300 nan 0.000 0.524 132 E N 0.339 120.600 120.200 0.102 0.000 2.250 132 E HA -0.118 4.233 4.350 0.001 0.000 0.192 132 E C 0.815 177.478 176.600 0.105 0.000 0.986 132 E CA 1.148 57.607 56.400 0.098 0.000 0.849 132 E CB -0.235 29.503 29.700 0.063 0.000 0.797 132 E HN 0.474 nan 8.360 nan 0.000 0.482 133 D N 0.461 120.905 120.400 0.074 0.000 2.340 133 D HA 0.059 4.699 4.640 0.001 0.000 0.220 133 D C 1.693 178.050 176.300 0.095 0.000 1.039 133 D CA -0.026 54.002 54.000 0.046 0.000 0.866 133 D CB -0.066 40.737 40.800 0.006 0.000 0.913 133 D HN 0.334 nan 8.370 nan 0.000 0.523 134 I N -0.563 120.079 120.570 0.119 0.000 3.565 134 I HA 0.053 4.224 4.170 0.001 0.000 0.287 134 I C 1.958 178.108 176.117 0.055 0.000 1.193 134 I CA -0.028 61.315 61.300 0.072 0.000 1.402 134 I CB 0.389 38.395 38.000 0.010 0.000 1.284 134 I HN -0.130 nan 8.210 nan 0.000 0.454 135 L N 0.606 121.871 121.223 0.070 0.000 2.552 135 L HA -0.021 4.319 4.340 0.001 0.000 0.227 135 L C 0.771 177.687 176.870 0.077 0.000 1.146 135 L CA 0.171 55.035 54.840 0.040 0.000 0.858 135 L CB -0.284 41.795 42.059 0.034 0.000 0.969 135 L HN 0.136 nan 8.230 nan 0.000 0.451 136 F N 1.219 121.163 119.950 -0.009 0.000 2.495 136 F HA 0.152 4.679 4.527 0.001 0.000 0.370 136 F C 1.051 176.844 175.800 -0.012 0.000 1.117 136 F CA 0.379 58.375 58.000 -0.007 0.000 1.060 136 F CB 0.252 39.252 39.000 -0.001 0.000 1.065 136 F HN -0.076 nan 8.300 nan 0.000 0.571 137 G N 3.702 112.250 108.800 -0.420 0.000 2.652 137 G HA2 0.037 3.998 3.960 0.001 0.000 0.187 137 G HA3 0.037 3.998 3.960 0.001 0.000 0.187 137 G C -0.592 174.061 174.900 -0.412 0.000 1.219 137 G CA -0.116 44.769 45.100 -0.359 0.000 0.667 137 G HN 0.473 nan 8.290 nan 0.000 0.781 138 N N 0.865 119.395 118.700 -0.283 0.000 2.926 138 N HA 0.174 4.914 4.740 0.001 0.000 0.201 138 N C -0.984 174.437 175.510 -0.148 0.000 1.419 138 N CA -0.475 52.443 53.050 -0.220 0.000 0.838 138 N CB -0.077 38.312 38.487 -0.164 0.000 1.534 138 N HN 0.086 nan 8.380 nan 0.000 0.569 146 G N 0.689 109.530 108.800 0.067 0.000 2.430 146 G HA2 0.194 4.155 3.960 0.001 0.000 0.216 146 G HA3 0.194 4.155 3.960 0.001 0.000 0.216 146 G C 0.416 175.331 174.900 0.024 0.000 1.146 146 G CA 1.011 46.136 45.100 0.042 0.000 0.793 146 G HN 0.129 nan 8.290 nan 0.000 0.537 147 V N 0.906 120.845 119.914 0.042 0.000 2.540 147 V HA 0.552 4.673 4.120 0.001 0.000 0.302 147 V C -0.124 175.961 176.094 -0.014 0.000 1.035 147 V CA -0.902 61.377 62.300 -0.034 0.000 0.873 147 V CB 1.686 33.461 31.823 -0.079 0.000 0.992 147 V HN 0.256 nan 8.190 nan 0.000 0.428 148 V N 1.556 121.436 119.914 -0.056 0.000 2.919 148 V HA 1.072 5.193 4.120 0.001 0.000 0.316 148 V C 0.202 176.259 176.094 -0.061 0.000 1.077 148 V CA -0.575 61.725 62.300 -0.001 0.000 0.977 148 V CB 1.949 33.776 31.823 0.007 0.000 1.039 148 V HN 0.959 nan 8.190 nan 0.000 0.441 149 G N 0.808 109.598 108.800 -0.018 0.000 2.530 149 G HA2 0.634 4.595 3.960 0.001 0.000 0.316 149 G HA3 0.634 4.595 3.960 0.001 0.000 0.316 149 G C -1.364 173.510 174.900 -0.043 0.000 1.298 149 G CA -0.655 44.411 45.100 -0.056 0.000 0.948 149 G HN 0.944 nan 8.290 nan 0.000 0.486 150 V N 2.037 121.905 119.914 -0.077 0.000 2.540 150 V HA 0.691 4.811 4.120 0.001 0.000 0.302 150 V C -0.069 175.958 176.094 -0.112 0.000 1.035 150 V CA -0.758 61.487 62.300 -0.091 0.000 0.873 150 V CB 1.782 33.539 31.823 -0.109 0.000 0.992 150 V HN 0.807 nan 8.190 nan 0.000 0.428 151 K N 5.475 125.801 120.400 -0.124 0.000 2.523 151 K HA 0.790 5.111 4.320 0.001 0.000 0.257 151 K C -1.006 175.513 176.600 -0.135 0.000 0.932 151 K CA -0.660 55.552 56.287 -0.125 0.000 0.812 151 K CB 2.227 34.656 32.500 -0.119 0.000 1.326 151 K HN 0.821 nan 8.250 nan 0.000 0.433 159 R N 1.027 121.515 120.500 -0.019 0.000 2.605 159 R HA 0.159 4.499 4.340 0.001 0.000 0.271 159 R C -0.383 175.888 176.300 -0.049 0.000 1.418 159 R CA -0.316 55.770 56.100 -0.022 0.000 1.102 159 R CB 0.077 30.383 30.300 0.011 0.000 1.131 159 R HN 0.335 nan 8.270 nan 0.000 0.554 160 Q N 2.905 122.661 119.800 -0.074 0.000 2.389 160 Q HA 0.159 4.500 4.340 0.001 0.000 0.244 160 Q C -0.913 174.970 176.000 -0.196 0.000 1.056 160 Q CA -0.329 55.403 55.803 -0.119 0.000 0.908 160 Q CB 1.225 29.911 28.738 -0.086 0.000 1.273 160 Q HN 0.542 nan 8.270 nan 0.000 0.471 161 V N 3.555 123.271 119.914 -0.330 0.000 2.432 161 V HA 0.687 4.807 4.120 0.001 0.000 0.275 161 V C 0.649 176.356 176.094 -0.644 0.000 1.043 161 V CA -0.277 61.755 62.300 -0.446 0.000 0.925 161 V CB 1.282 32.832 31.823 -0.454 0.000 0.985 161 V HN 0.808 nan 8.190 nan 0.000 0.466 162 G N 3.460 112.035 108.800 -0.375 0.000 2.416 162 G HA2 0.635 4.595 3.960 0.001 0.000 0.329 162 G HA3 0.635 4.595 3.960 0.001 0.000 0.329 162 G C -1.180 173.634 174.900 -0.144 0.000 1.173 162 G CA -0.458 44.487 45.100 -0.257 0.000 0.929 162 G HN 0.546 nan 8.290 nan 0.000 0.475 163 V N 0.701 120.616 119.914 0.000 0.000 2.555 163 V HA 0.840 4.960 4.120 0.001 0.000 0.302 163 V C 0.562 176.741 176.094 0.141 0.000 1.038 163 V CA -0.489 61.875 62.300 0.105 0.000 0.887 163 V CB 1.925 33.894 31.823 0.244 0.000 0.991 163 V HN 1.005 nan 8.190 nan 0.000 0.434 164 G N 3.475 112.338 108.800 0.106 0.000 2.530 164 G HA2 0.725 4.686 3.960 0.001 0.000 0.316 164 G HA3 0.725 4.686 3.960 0.001 0.000 0.316 164 G C -1.478 173.504 174.900 0.137 0.000 1.298 164 G CA -0.466 44.667 45.100 0.055 0.000 0.948 164 G HN 0.860 nan 8.290 nan 0.000 0.486 165 Y N -0.155 120.157 120.300 0.020 0.000 2.504 165 Y HA 0.674 5.225 4.550 0.001 0.000 0.344 165 Y C -1.151 174.776 175.900 0.046 0.000 1.023 165 Y CA -1.676 56.440 58.100 0.026 0.000 1.020 165 Y CB 1.725 40.207 38.460 0.037 0.000 1.282 165 Y HN 0.316 nan 8.280 nan 0.000 0.454 166 V N 3.254 123.257 119.914 0.149 0.000 2.318 166 V HA 0.176 4.296 4.120 0.001 0.000 0.271 166 V C -0.605 175.634 176.094 0.241 0.000 1.030 166 V CA -0.336 62.036 62.300 0.119 0.000 0.844 166 V CB 0.928 32.790 31.823 0.065 0.000 1.015 166 V HN 0.827 nan 8.190 nan 0.000 0.460 167 D N 3.411 123.984 120.400 0.288 0.000 2.639 167 D HA 0.095 4.736 4.640 0.001 0.000 0.233 167 D C 1.466 177.924 176.300 0.264 0.000 1.161 167 D CA 0.045 54.218 54.000 0.288 0.000 1.003 167 D CB 0.698 41.704 40.800 0.342 0.000 1.034 167 D HN 0.590 nan 8.370 nan 0.000 0.514 168 S N 1.016 116.889 115.700 0.290 0.000 2.603 168 S HA -0.062 4.409 4.470 0.001 0.000 0.229 168 S C 1.783 176.469 174.600 0.145 0.000 0.972 168 S CA -0.108 58.275 58.200 0.305 0.000 0.935 168 S CB -0.173 63.274 63.200 0.412 0.000 0.769 168 S HN 0.375 nan 8.310 nan 0.000 0.536 169 I N 0.944 121.590 120.570 0.126 0.000 2.439 169 I HA 0.016 4.187 4.170 0.001 0.000 0.251 169 I C 1.815 177.962 176.117 0.050 0.000 1.139 169 I CA 1.002 62.351 61.300 0.081 0.000 1.438 169 I CB -1.007 37.037 38.000 0.073 0.000 1.085 169 I HN 0.395 nan 8.210 nan 0.000 0.427 170 Q N 0.464 120.299 119.800 0.059 0.000 2.139 170 Q HA 0.240 4.581 4.340 0.001 0.000 0.219 170 Q C -0.315 175.676 176.000 -0.015 0.000 0.805 170 Q CA -0.237 55.588 55.803 0.037 0.000 1.024 170 Q CB 0.820 29.606 28.738 0.080 0.000 1.163 170 Q HN 0.390 nan 8.270 nan 0.000 0.485 171 R N 1.271 121.717 120.500 -0.089 0.000 3.079 171 R HA -0.157 4.184 4.340 0.001 0.000 0.254 171 R C -0.827 175.441 176.300 -0.053 0.000 0.900 171 R CA 0.710 56.569 56.100 -0.401 0.000 0.641 171 R CB -1.453 28.450 30.300 -0.663 0.000 1.307 171 R HN 0.081 nan 8.270 nan 0.000 0.477 172 K N 1.557 122.111 120.400 0.256 0.000 2.637 172 K HA 0.275 4.595 4.320 0.001 0.000 0.248 172 K C -0.279 176.460 176.600 0.231 0.000 0.971 172 K CA -0.695 55.752 56.287 0.266 0.000 0.858 172 K CB 1.502 34.113 32.500 0.184 0.000 1.170 172 K HN 0.099 nan 8.250 nan 0.000 0.443 173 L N 3.105 124.435 121.223 0.178 0.000 2.401 173 L HA 0.194 4.534 4.340 0.001 0.000 0.283 173 L C 0.941 177.687 176.870 -0.207 0.000 1.151 173 L CA -0.354 54.452 54.840 -0.057 0.000 0.942 173 L CB 0.139 42.127 42.059 -0.117 0.000 1.283 173 L HN 0.680 nan 8.230 nan 0.000 0.442 174 G N 3.604 112.089 108.800 -0.526 0.000 2.539 174 G HA2 0.558 4.518 3.960 0.001 0.000 0.258 174 G HA3 0.558 4.518 3.960 0.001 0.000 0.258 174 G C -0.705 173.837 174.900 -0.598 0.000 1.202 174 G CA -0.314 44.242 45.100 -0.906 0.000 0.851 174 G HN 0.444 nan 8.290 nan 0.000 0.556 175 L N -1.224 119.846 121.223 -0.256 0.000 2.556 175 L HA 0.774 5.115 4.340 0.001 0.000 0.257 175 L C -0.821 176.131 176.870 0.136 0.000 0.955 175 L CA -1.350 53.471 54.840 -0.030 0.000 0.850 175 L CB 1.326 43.362 42.059 -0.038 0.000 1.398 175 L HN 0.664 nan 8.230 nan 0.000 0.412 176 C N 1.047 120.459 119.300 0.186 0.000 2.947 176 C HA 0.596 5.056 4.460 0.001 0.000 0.401 176 C C -1.134 173.992 174.990 0.228 0.000 1.019 176 C CA -0.052 59.127 59.018 0.267 0.000 1.230 176 C CB 1.334 29.304 27.740 0.384 0.000 1.644 176 C HN 0.988 nan 8.230 nan 0.000 0.523 177 E N 3.657 123.961 120.200 0.174 0.000 2.179 177 E HA 0.797 5.147 4.350 0.001 0.000 0.275 177 E C -1.186 175.471 176.600 0.095 0.000 0.945 177 E CA -0.335 56.073 56.400 0.013 0.000 0.792 177 E CB 1.765 31.458 29.700 -0.011 0.000 1.125 177 E HN 0.582 nan 8.360 nan 0.000 0.397 178 F N 0.532 120.370 119.950 -0.186 0.000 2.654 178 F HA 0.417 4.945 4.527 0.001 0.000 0.314 178 F C -2.987 172.728 175.800 -0.142 0.000 1.116 178 F CA -2.600 55.232 58.000 -0.280 0.000 1.017 178 F CB 0.912 39.387 39.000 -0.876 0.000 1.285 178 F HN 0.135 nan 8.300 nan 0.000 0.448 179 P HA 0.218 nan 4.420 nan 0.000 0.281 179 P C -1.035 176.323 177.300 0.097 0.000 1.252 179 P CA 0.217 63.332 63.100 0.025 0.000 0.778 179 P CB 1.383 33.117 31.700 0.057 0.000 0.895 180 D N 2.114 122.549 120.400 0.059 0.000 2.277 180 D HA 0.284 4.924 4.640 0.001 0.000 0.250 180 D C 0.567 176.855 176.300 -0.021 0.000 1.032 180 D CA -0.161 53.906 54.000 0.112 0.000 0.947 180 D CB 0.774 41.726 40.800 0.253 0.000 1.159 180 D HN 0.228 nan 8.370 nan 0.000 0.460 181 N N 0.223 118.877 118.700 -0.077 0.000 2.431 181 N HA 0.102 4.842 4.740 0.001 0.000 0.289 181 N C 0.612 175.856 175.510 -0.444 0.000 1.277 181 N CA -0.305 52.640 53.050 -0.175 0.000 0.972 181 N CB 0.380 38.813 38.487 -0.089 0.000 1.143 181 N HN 0.240 nan 8.380 nan 0.000 0.578 182 D N 0.235 120.432 120.400 -0.338 0.000 2.123 182 D HA -0.078 4.563 4.640 0.001 0.000 0.200 182 D C 0.682 176.681 176.300 -0.502 0.000 0.976 182 D CA 1.418 55.187 54.000 -0.385 0.000 0.831 182 D CB 0.041 40.727 40.800 -0.189 0.000 0.974 182 D HN 0.478 nan 8.370 nan 0.000 0.469 183 Q N -0.487 119.122 119.800 -0.318 0.000 2.198 183 Q HA 0.174 4.514 4.340 0.001 0.000 0.209 183 Q C -0.577 175.449 176.000 0.043 0.000 0.848 183 Q CA -0.410 55.321 55.803 -0.119 0.000 0.974 183 Q CB 0.355 29.081 28.738 -0.020 0.000 1.115 183 Q HN 0.112 nan 8.270 nan 0.000 0.494 184 F N 0.147 120.115 119.950 0.029 0.000 2.695 184 F HA -0.268 4.259 4.527 -0.000 0.000 0.305 184 F C 1.224 177.054 175.800 0.050 0.000 1.044 184 F CA 0.674 58.701 58.000 0.046 0.000 1.049 184 F CB -2.116 36.907 39.000 0.039 0.000 1.267 184 F HN 0.086 nan 8.300 nan 0.000 0.828 185 S N -0.221 115.564 115.700 0.142 0.000 2.436 185 S HA -0.089 4.382 4.470 0.001 0.000 0.228 185 S C 1.833 176.505 174.600 0.119 0.000 1.014 185 S CA 1.460 59.726 58.200 0.110 0.000 0.950 185 S CB 0.021 63.264 63.200 0.071 0.000 0.784 185 S HN 0.585 nan 8.310 nan 0.000 0.504 186 N N 1.466 120.258 118.700 0.153 0.000 2.331 186 N HA 0.135 4.875 4.740 0.001 0.000 0.180 186 N C 1.534 177.073 175.510 0.047 0.000 1.019 186 N CA 0.539 53.648 53.050 0.097 0.000 0.881 186 N CB -0.346 38.222 38.487 0.134 0.000 0.972 186 N HN 0.371 nan 8.380 nan 0.000 0.435 187 L N 0.966 122.304 121.223 0.191 0.000 2.023 187 L HA -0.063 4.278 4.340 0.001 0.000 0.205 187 L C 1.873 178.778 176.870 0.058 0.000 1.073 187 L CA 1.099 56.027 54.840 0.147 0.000 0.745 187 L CB -0.295 41.853 42.059 0.150 0.000 0.900 187 L HN 0.185 nan 8.230 nan 0.000 0.435 188 E N -0.021 120.224 120.200 0.076 0.000 2.267 188 E HA -0.236 4.114 4.350 0.001 0.000 0.197 188 E C 2.076 178.693 176.600 0.027 0.000 0.998 188 E CA 0.969 57.397 56.400 0.046 0.000 0.830 188 E CB -0.056 29.681 29.700 0.061 0.000 0.751 188 E HN 0.514 nan 8.360 nan 0.000 0.491 189 A N 0.685 123.520 122.820 0.025 0.000 1.855 189 A HA -0.103 4.217 4.320 0.001 0.000 0.213 189 A C 2.065 179.641 177.584 -0.013 0.000 1.195 189 A CA 0.826 52.874 52.037 0.019 0.000 0.610 189 A CB -0.336 18.689 19.000 0.042 0.000 0.837 189 A HN 0.086 nan 8.150 nan 0.000 0.444 190 L N -0.207 120.977 121.223 -0.064 0.000 2.072 190 L HA -0.033 4.307 4.340 0.001 0.000 0.205 190 L C 2.373 179.197 176.870 -0.076 0.000 1.079 190 L CA 1.078 55.866 54.840 -0.086 0.000 0.752 190 L CB -0.573 41.397 42.059 -0.148 0.000 0.906 190 L HN 0.332 nan 8.230 nan 0.000 0.436 191 L N -0.904 120.288 121.223 -0.052 0.000 2.189 191 L HA -0.251 4.090 4.340 0.001 0.000 0.214 191 L C 2.158 178.979 176.870 -0.081 0.000 1.097 191 L CA 1.288 56.090 54.840 -0.063 0.000 0.764 191 L CB -0.413 41.621 42.059 -0.042 0.000 0.900 191 L HN 0.310 nan 8.230 nan 0.000 0.436 192 I N -1.883 118.649 120.570 -0.063 0.000 3.081 192 I HA -0.110 4.060 4.170 0.001 0.000 0.274 192 I C 2.345 178.416 176.117 -0.076 0.000 1.178 192 I CA 0.306 61.568 61.300 -0.065 0.000 1.460 192 I CB -0.016 37.976 38.000 -0.013 0.000 1.137 192 I HN 0.210 nan 8.210 nan 0.000 0.443 193 Q N 1.213 120.967 119.800 -0.077 0.000 2.016 193 Q HA -0.134 4.207 4.340 0.001 0.000 0.200 193 Q C 2.378 178.283 176.000 -0.157 0.000 0.978 193 Q CA 1.807 57.543 55.803 -0.112 0.000 0.833 193 Q CB -0.055 28.631 28.738 -0.087 0.000 0.895 193 Q HN 0.619 nan 8.270 nan 0.000 0.427 194 I N -3.172 117.293 120.570 -0.175 0.000 2.716 194 I HA 0.245 4.415 4.170 0.001 0.000 0.259 194 I C 0.918 176.923 176.117 -0.187 0.000 1.172 194 I CA 0.591 61.757 61.300 -0.223 0.000 1.478 194 I CB -0.615 37.147 38.000 -0.396 0.000 1.104 194 I HN 0.165 nan 8.210 nan 0.000 0.439 195 G N 4.294 112.991 108.800 -0.173 0.000 2.342 195 G HA2 -0.184 3.777 3.960 0.001 0.000 0.267 195 G HA3 -0.184 3.777 3.960 0.001 0.000 0.267 195 G C -2.287 172.520 174.900 -0.155 0.000 0.922 195 G CA 0.009 45.003 45.100 -0.177 0.000 1.342 195 G HN 0.443 nan 8.290 nan 0.000 0.430 196 P HA 0.495 nan 4.420 nan 0.000 0.310 196 P C 0.305 177.546 177.300 -0.098 0.000 1.309 196 P CA -0.629 62.412 63.100 -0.099 0.000 0.769 196 P CB 0.855 32.503 31.700 -0.087 0.000 1.327 197 K N -2.061 118.294 120.400 -0.075 0.000 2.586 197 K HA 0.397 4.718 4.320 0.001 0.000 0.198 197 K C -0.118 176.444 176.600 -0.064 0.000 1.170 197 K CA -0.321 55.923 56.287 -0.072 0.000 1.069 197 K CB 1.117 33.580 32.500 -0.063 0.000 0.944 197 K HN 0.380 nan 8.250 nan 0.000 0.572 198 E N 0.918 121.074 120.200 -0.073 0.000 2.397 198 E HA 0.245 4.595 4.350 0.001 0.000 0.293 198 E C -2.102 174.415 176.600 -0.138 0.000 0.930 198 E CA -0.785 55.559 56.400 -0.093 0.000 0.793 198 E CB 2.147 31.809 29.700 -0.064 0.000 1.259 198 E HN 0.297 nan 8.360 nan 0.000 0.406 199 C N 4.658 123.865 119.300 -0.154 0.000 2.455 199 C HA 0.756 5.217 4.460 0.001 0.000 0.320 199 C C -0.624 174.237 174.990 -0.214 0.000 1.226 199 C CA -0.334 58.582 59.018 -0.170 0.000 1.569 199 C CB 0.550 28.215 27.740 -0.125 0.000 2.200 199 C HN 0.531 nan 8.230 nan 0.000 0.491 200 V N 5.327 125.092 119.914 -0.248 0.000 2.472 200 V HA 0.771 4.892 4.120 0.001 0.000 0.290 200 V C -0.643 175.362 176.094 -0.148 0.000 1.037 200 V CA -0.401 61.754 62.300 -0.242 0.000 0.908 200 V CB 1.225 32.845 31.823 -0.338 0.000 0.985 200 V HN 0.844 nan 8.190 nan 0.000 0.454 201 L N 3.825 124.981 121.223 -0.113 0.000 2.393 201 L HA 0.522 4.863 4.340 0.001 0.000 0.260 201 L C -1.883 174.951 176.870 -0.061 0.000 1.002 201 L CA -1.796 52.990 54.840 -0.090 0.000 0.818 201 L CB 2.848 44.852 42.059 -0.091 0.000 1.369 201 L HN 0.335 nan 8.230 nan 0.000 0.412 202 P HA -0.046 nan 4.420 nan 0.000 0.217 202 P C 0.189 177.477 177.300 -0.020 0.000 1.150 202 P CA 1.003 64.083 63.100 -0.033 0.000 0.832 202 P CB 0.177 31.850 31.700 -0.047 0.000 0.787 203 G N -1.284 107.498 108.800 -0.030 0.000 3.153 203 G HA2 0.349 4.310 3.960 0.001 0.000 0.686 203 G HA3 0.349 4.310 3.960 0.001 0.000 0.686 203 G C -0.005 174.888 174.900 -0.013 0.000 0.995 203 G CA -0.489 44.599 45.100 -0.021 0.000 0.783 203 G HN 0.628 nan 8.290 nan 0.000 0.551 204 G N 1.373 110.165 108.800 -0.014 0.000 2.881 204 G HA2 0.530 4.490 3.960 0.001 0.000 0.597 204 G HA3 0.530 4.490 3.960 0.001 0.000 0.597 204 G C -0.367 174.528 174.900 -0.009 0.000 1.188 204 G CA 0.314 45.409 45.100 -0.008 0.000 1.218 204 G HN 1.900 nan 8.290 nan 0.000 0.544 205 E N 0.723 120.919 120.200 -0.006 0.000 2.146 205 E HA 0.646 4.996 4.350 0.001 0.000 0.282 205 E C 0.282 176.883 176.600 0.002 0.000 0.989 205 E CA -0.542 55.856 56.400 -0.003 0.000 0.799 205 E CB 1.311 31.010 29.700 -0.002 0.000 1.088 205 E HN 0.544 nan 8.360 nan 0.000 0.397 206 T N 0.304 114.861 114.554 0.004 0.000 3.514 206 T HA 0.534 4.884 4.350 0.001 0.000 0.259 206 T C 0.558 175.264 174.700 0.009 0.000 1.466 206 T CA -0.352 61.752 62.100 0.006 0.000 1.562 206 T CB 0.484 69.354 68.868 0.004 0.000 0.924 206 T HN 0.924 nan 8.240 nan 0.000 0.678 207 A N -0.399 122.427 122.820 0.011 0.000 2.869 207 A HA 0.119 4.440 4.320 0.001 0.000 0.280 207 A C 0.932 178.526 177.584 0.017 0.000 1.458 207 A CA 0.821 52.866 52.037 0.014 0.000 0.776 207 A CB -1.741 17.266 19.000 0.011 0.000 1.028 207 A HN 1.504 nan 8.150 nan 0.000 0.547 208 G N -1.505 107.308 108.800 0.021 0.000 3.212 208 G HA2 0.541 4.502 3.960 0.001 0.000 0.188 208 G HA3 0.541 4.502 3.960 0.001 0.000 0.188 208 G C 0.152 175.082 174.900 0.050 0.000 1.254 208 G CA 0.477 45.594 45.100 0.029 0.000 0.957 208 G HN 0.126 nan 8.290 nan 0.000 0.596 209 D N 0.140 120.584 120.400 0.074 0.000 2.347 209 D HA 0.007 4.647 4.640 0.001 0.000 0.213 209 D C 2.407 178.771 176.300 0.106 0.000 0.985 209 D CA 0.278 54.367 54.000 0.149 0.000 0.879 209 D CB 0.148 41.092 40.800 0.241 0.000 0.919 209 D HN 0.060 nan 8.370 nan 0.000 0.526 210 M N 0.239 119.859 119.600 0.033 0.000 2.460 210 M HA 0.025 4.506 4.480 0.001 0.000 0.263 210 M C 2.056 178.343 176.300 -0.021 0.000 1.071 210 M CA 0.673 55.960 55.300 -0.022 0.000 1.096 210 M CB -0.988 31.596 32.600 -0.026 0.000 1.408 210 M HN 0.015 nan 8.290 nan 0.000 0.463 211 G N -0.050 108.757 108.800 0.012 0.000 2.395 211 G HA2 -0.179 3.782 3.960 0.001 0.000 0.214 211 G HA3 -0.179 3.782 3.960 0.001 0.000 0.214 211 G C 1.724 176.636 174.900 0.020 0.000 1.177 211 G CA 0.318 45.426 45.100 0.012 0.000 0.794 211 G HN 0.403 nan 8.290 nan 0.000 0.532 212 K N -0.188 120.248 120.400 0.060 0.000 2.459 212 K HA 0.289 4.609 4.320 0.001 0.000 0.193 212 K C 2.212 178.850 176.600 0.064 0.000 1.030 212 K CA -0.062 56.279 56.287 0.091 0.000 1.026 212 K CB -0.115 32.474 32.500 0.149 0.000 0.809 212 K HN 0.256 nan 8.250 nan 0.000 0.504 213 L N 0.200 121.393 121.223 -0.050 0.000 2.217 213 L HA -0.107 4.233 4.340 0.001 0.000 0.211 213 L C 2.216 178.992 176.870 -0.158 0.000 1.107 213 L CA 1.001 55.682 54.840 -0.266 0.000 0.783 213 L CB -0.116 41.707 42.059 -0.394 0.000 0.919 213 L HN 0.147 nan 8.230 nan 0.000 0.442 214 R N -0.543 119.904 120.500 -0.087 0.000 2.075 214 R HA -0.151 4.189 4.340 0.001 0.000 0.232 214 R C 2.236 178.510 176.300 -0.043 0.000 1.126 214 R CA 1.189 57.250 56.100 -0.065 0.000 0.963 214 R CB -0.243 30.031 30.300 -0.045 0.000 0.858 214 R HN 0.469 nan 8.270 nan 0.000 0.435 215 Q N 0.162 119.951 119.800 -0.017 0.000 2.124 215 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 215 Q C 1.995 177.998 176.000 0.005 0.000 0.977 215 Q CA 0.926 56.731 55.803 0.003 0.000 0.850 215 Q CB 0.068 28.821 28.738 0.025 0.000 0.901 215 Q HN 0.271 nan 8.270 nan 0.000 0.429 216 I N 0.330 120.904 120.570 0.007 0.000 2.439 216 I HA -0.173 3.998 4.170 0.001 0.000 0.251 216 I C 2.056 178.162 176.117 -0.018 0.000 1.139 216 I CA 1.300 62.611 61.300 0.018 0.000 1.438 216 I CB -0.615 37.419 38.000 0.057 0.000 1.085 216 I HN 0.241 nan 8.210 nan 0.000 0.427 217 I N -0.160 120.378 120.570 -0.053 0.000 2.703 217 I HA -0.174 3.997 4.170 0.001 0.000 0.259 217 I C 2.477 178.562 176.117 -0.053 0.000 1.151 217 I CA 0.505 61.767 61.300 -0.063 0.000 1.470 217 I CB -0.202 37.742 38.000 -0.092 0.000 1.112 217 I HN 0.215 nan 8.210 nan 0.000 0.437 218 Q N 1.202 120.975 119.800 -0.045 0.000 2.020 218 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 218 Q C 2.157 178.139 176.000 -0.031 0.000 0.982 218 Q CA 1.543 57.322 55.803 -0.041 0.000 0.838 218 Q CB -0.200 28.517 28.738 -0.034 0.000 0.899 218 Q HN 0.531 nan 8.270 nan 0.000 0.423 219 R N -0.142 120.349 120.500 -0.016 0.000 2.339 219 R HA 0.017 4.357 4.340 0.001 0.000 0.199 219 R C 1.659 177.954 176.300 -0.009 0.000 1.018 219 R CA 1.032 57.128 56.100 -0.006 0.000 1.036 219 R CB -0.268 30.036 30.300 0.007 0.000 0.899 219 R HN 0.127 nan 8.270 nan 0.000 0.473 220 G N 0.144 108.932 108.800 -0.020 0.000 2.623 220 G HA2 0.191 4.151 3.960 0.001 0.000 0.214 220 G HA3 0.191 4.151 3.960 0.001 0.000 0.214 220 G C 1.082 175.957 174.900 -0.042 0.000 1.138 220 G CA 0.320 45.404 45.100 -0.028 0.000 0.794 220 G HN 0.537 nan 8.290 nan 0.000 0.535 221 G N -0.507 108.266 108.800 -0.044 0.000 2.213 221 G HA2 -0.251 3.710 3.960 0.001 0.000 0.236 221 G HA3 -0.251 3.710 3.960 0.001 0.000 0.236 221 G C 0.270 175.130 174.900 -0.067 0.000 0.991 221 G CA 0.068 45.137 45.100 -0.052 0.000 0.629 221 G HN 0.356 nan 8.290 nan 0.000 0.517 222 I N 1.733 122.260 120.570 -0.072 0.000 2.533 222 I HA 0.428 4.598 4.170 0.001 0.000 0.284 222 I C 0.735 176.801 176.117 -0.085 0.000 1.109 222 I CA -0.562 60.690 61.300 -0.080 0.000 1.412 222 I CB 1.090 39.040 38.000 -0.083 0.000 1.396 222 I HN 0.226 nan 8.210 nan 0.000 0.543 223 L N 8.429 129.599 121.223 -0.089 0.000 2.367 223 L HA 0.351 4.692 4.340 0.001 0.000 0.275 223 L C -0.247 176.566 176.870 -0.096 0.000 1.129 223 L CA 0.416 55.197 54.840 -0.098 0.000 0.839 223 L CB 0.098 42.099 42.059 -0.098 0.000 1.133 223 L HN 0.373 nan 8.230 nan 0.000 0.453 224 I N 5.044 125.559 120.570 -0.092 0.000 2.297 224 I HA 0.207 4.377 4.170 0.001 0.000 0.291 224 I C -0.199 175.873 176.117 -0.076 0.000 1.033 224 I CA -0.166 61.080 61.300 -0.089 0.000 1.253 224 I CB 0.577 38.529 38.000 -0.080 0.000 1.396 224 I HN 0.580 nan 8.210 nan 0.000 0.476 225 T N 5.733 120.233 114.554 -0.090 0.000 2.770 225 T HA 0.336 4.687 4.350 0.001 0.000 0.283 225 T C -0.240 174.424 174.700 -0.060 0.000 0.988 225 T CA -0.686 61.382 62.100 -0.053 0.000 0.957 225 T CB 0.948 69.791 68.868 -0.042 0.000 0.930 225 T HN 0.465 nan 8.240 nan 0.000 0.443 226 E N 2.466 122.655 120.200 -0.018 0.000 2.204 226 E HA 0.530 4.881 4.350 0.001 0.000 0.276 226 E C -0.151 176.462 176.600 0.021 0.000 0.974 226 E CA -0.881 55.510 56.400 -0.015 0.000 0.815 226 E CB 1.728 31.419 29.700 -0.016 0.000 1.119 226 E HN 0.318 nan 8.360 nan 0.000 0.393 227 R N 1.691 122.202 120.500 0.019 0.000 2.686 227 R HA 0.285 4.625 4.340 0.001 0.000 0.286 227 R C -0.731 175.592 176.300 0.039 0.000 0.969 227 R CA -0.928 55.201 56.100 0.048 0.000 0.898 227 R CB 1.846 32.194 30.300 0.079 0.000 1.183 227 R HN 0.312 nan 8.270 nan 0.000 0.456 228 K N 2.934 123.362 120.400 0.046 0.000 2.110 228 K HA 0.073 4.394 4.320 0.001 0.000 0.260 228 K C -0.473 176.172 176.600 0.076 0.000 1.126 228 K CA 0.043 56.358 56.287 0.047 0.000 1.005 228 K CB 0.184 32.705 32.500 0.035 0.000 1.336 228 K HN 0.437 nan 8.250 nan 0.000 0.369 229 K N 0.927 121.384 120.400 0.095 0.000 3.451 229 K HA -0.252 4.069 4.320 0.001 0.000 0.273 229 K C 0.182 176.950 176.600 0.280 0.000 0.944 229 K CA 0.474 56.873 56.287 0.187 0.000 0.734 229 K CB -1.136 31.534 32.500 0.284 0.000 1.437 229 K HN 0.735 nan 8.250 nan 0.000 0.454 230 A N 0.496 123.419 122.820 0.172 0.000 2.423 230 A HA 0.038 4.358 4.320 0.001 0.000 0.246 230 A C 0.421 178.094 177.584 0.150 0.000 1.278 230 A CA -0.123 52.014 52.037 0.167 0.000 0.903 230 A CB 0.326 19.383 19.000 0.094 0.000 0.997 230 A HN 0.360 nan 8.150 nan 0.000 0.510 231 D N 0.167 120.620 120.400 0.088 0.000 3.060 231 D HA 0.203 4.844 4.640 0.001 0.000 0.245 231 D C -1.180 175.008 176.300 -0.186 0.000 1.274 231 D CA 0.341 54.305 54.000 -0.060 0.000 0.864 231 D CB -0.203 40.516 40.800 -0.135 0.000 1.073 231 D HN 0.320 nan 8.370 nan 0.000 0.473 232 F N 0.975 120.903 119.950 -0.037 0.000 2.361 232 F HA 0.095 4.623 4.527 0.000 0.000 0.364 232 F C 1.049 176.824 175.800 -0.042 0.000 1.117 232 F CA -0.927 57.051 58.000 -0.037 0.000 1.071 232 F CB 1.472 40.450 39.000 -0.037 0.000 1.188 232 F HN -0.184 nan 8.300 nan 0.000 0.464 233 S N -0.068 115.678 115.700 0.076 0.000 3.812 233 S HA 0.092 4.562 4.470 0.001 0.000 0.195 233 S C 0.618 175.256 174.600 0.063 0.000 1.460 233 S CA -0.343 57.883 58.200 0.042 0.000 1.052 233 S CB -0.728 62.470 63.200 -0.002 0.000 1.385 233 S HN 0.676 nan 8.310 nan 0.000 0.490 234 T N -1.391 113.215 114.554 0.085 0.000 3.264 234 T HA 0.372 4.723 4.350 0.001 0.000 0.257 234 T C 0.676 175.412 174.700 0.059 0.000 0.976 234 T CA -0.577 61.566 62.100 0.072 0.000 0.908 234 T CB 0.024 68.936 68.868 0.074 0.000 1.082 234 T HN 0.421 nan 8.240 nan 0.000 0.567 235 K N 0.841 121.280 120.400 0.064 0.000 2.312 235 K HA 0.236 4.557 4.320 0.001 0.000 0.223 235 K C 0.743 177.427 176.600 0.141 0.000 1.043 235 K CA 0.272 56.635 56.287 0.127 0.000 0.981 235 K CB 0.070 32.632 32.500 0.103 0.000 1.142 235 K HN 0.055 nan 8.250 nan 0.000 0.463 236 D N -0.597 119.861 120.400 0.097 0.000 3.821 236 D HA -0.260 4.381 4.640 0.001 0.000 0.204 236 D C 1.288 177.620 176.300 0.053 0.000 1.303 236 D CA 2.200 56.235 54.000 0.060 0.000 2.340 236 D CB -1.265 39.560 40.800 0.041 0.000 1.233 236 D HN 0.233 nan 8.370 nan 0.000 0.420 237 I N -0.216 120.389 120.570 0.058 0.000 2.286 237 I HA -0.234 3.937 4.170 0.001 0.000 0.248 237 I C 2.173 178.234 176.117 -0.093 0.000 1.115 237 I CA 1.280 62.556 61.300 -0.040 0.000 1.392 237 I CB -0.379 37.560 38.000 -0.102 0.000 1.065 237 I HN 0.140 nan 8.210 nan 0.000 0.418 238 Y N 0.733 121.022 120.300 -0.019 0.000 2.516 238 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 238 Y C 2.478 178.348 175.900 -0.049 0.000 1.131 238 Y CA 0.588 58.670 58.100 -0.031 0.000 1.281 238 Y CB -0.162 38.279 38.460 -0.031 0.000 1.013 238 Y HN 0.208 nan 8.280 nan 0.000 0.554 239 Q N -0.605 119.250 119.800 0.092 0.000 2.302 239 Q HA -0.073 4.267 4.340 0.001 0.000 0.202 239 Q C 0.664 176.661 176.000 -0.005 0.000 0.936 239 Q CA 0.859 56.674 55.803 0.020 0.000 0.886 239 Q CB 0.200 28.947 28.738 0.014 0.000 0.986 239 Q HN 0.349 nan 8.270 nan 0.000 0.487 240 D N 0.435 120.834 120.400 -0.001 0.000 2.349 240 D HA 0.021 4.661 4.640 0.001 0.000 0.224 240 D C 1.261 177.558 176.300 -0.005 0.000 1.029 240 D CA 0.375 54.372 54.000 -0.006 0.000 0.879 240 D CB 0.241 41.035 40.800 -0.009 0.000 0.906 240 D HN 0.194 nan 8.370 nan 0.000 0.528 241 L N -0.188 121.029 121.223 -0.010 0.000 2.395 241 L HA 0.016 4.356 4.340 0.001 0.000 0.218 241 L C 0.139 177.032 176.870 0.038 0.000 1.130 241 L CA 0.613 55.456 54.840 0.005 0.000 0.826 241 L CB -0.044 42.013 42.059 -0.004 0.000 0.941 241 L HN -0.079 nan 8.230 nan 0.000 0.451 242 N N -0.020 118.689 118.700 0.015 0.000 2.321 242 N HA 0.347 5.087 4.740 0.001 0.000 0.299 242 N C -0.336 175.211 175.510 0.061 0.000 1.048 242 N CA -0.517 52.565 53.050 0.053 0.000 0.836 242 N CB 1.404 39.844 38.487 -0.078 0.000 1.269 242 N HN -0.025 nan 8.380 nan 0.000 0.486 248 K N 0.898 121.295 120.400 -0.005 0.000 2.656 248 K HA 0.592 4.913 4.320 0.001 0.000 0.241 248 K C -0.383 176.217 176.600 -0.001 0.000 0.967 248 K CA -0.698 55.589 56.287 -0.001 0.000 0.946 248 K CB 1.611 34.112 32.500 0.001 0.000 1.164 248 K HN 0.497 nan 8.250 nan 0.000 0.459 249 K N 0.653 121.053 120.400 -0.001 0.000 2.553 249 K HA 0.239 4.560 4.320 0.001 0.000 0.205 249 K C 0.014 176.614 176.600 -0.000 0.000 1.168 249 K CA -0.325 55.961 56.287 -0.001 0.000 1.043 249 K CB 1.367 33.865 32.500 -0.003 0.000 0.967 249 K HN 0.618 nan 8.250 nan 0.000 0.585 250 G N 1.733 110.534 108.800 0.001 0.000 3.876 250 G HA2 0.053 4.014 3.960 0.001 0.000 0.249 250 G HA3 0.053 4.014 3.960 0.001 0.000 0.249 250 G C -0.785 174.117 174.900 0.003 0.000 3.894 250 G CA -0.471 44.630 45.100 0.001 0.000 0.527 250 G HN 0.166 nan 8.290 nan 0.000 0.244 251 E N 0.134 120.338 120.200 0.006 0.000 2.476 251 E HA 0.033 4.383 4.350 0.001 0.000 0.196 251 E C 1.721 178.326 176.600 0.008 0.000 1.029 251 E CA -0.060 56.345 56.400 0.008 0.000 0.896 251 E CB 0.593 30.301 29.700 0.013 0.000 1.012 251 E HN 0.612 nan 8.360 nan 0.000 0.475 252 Q N -0.011 119.792 119.800 0.005 0.000 2.378 252 Q HA 0.030 4.370 4.340 0.001 0.000 0.205 252 Q C 1.730 177.730 176.000 0.001 0.000 0.954 252 Q CA 0.602 56.407 55.803 0.002 0.000 0.901 252 Q CB 0.209 28.946 28.738 -0.002 0.000 0.981 252 Q HN 0.274 nan 8.270 nan 0.000 0.483 253 M N 0.308 119.909 119.600 0.001 0.000 2.476 253 M HA -0.043 4.437 4.480 0.001 0.000 0.262 253 M C 0.850 177.151 176.300 0.002 0.000 1.079 253 M CA 0.898 56.198 55.300 0.001 0.000 1.104 253 M CB -0.470 32.130 32.600 0.000 0.000 1.409 253 M HN 0.160 nan 8.290 nan 0.000 0.467 254 N N 0.720 119.422 118.700 0.003 0.000 2.336 254 N HA -0.018 4.723 4.740 0.001 0.000 0.177 254 N C 0.699 176.211 175.510 0.004 0.000 1.018 254 N CA 0.646 53.698 53.050 0.004 0.000 0.878 254 N CB -0.163 38.328 38.487 0.005 0.000 0.997 254 N HN 0.295 nan 8.380 nan 0.000 0.433 255 S N -0.239 115.463 115.700 0.005 0.000 4.175 255 S HA 0.627 5.097 4.470 0.001 0.000 0.193 255 S C 0.582 175.183 174.600 0.003 0.000 1.373 255 S CA -0.033 58.169 58.200 0.004 0.000 0.908 255 S CB 0.248 63.451 63.200 0.005 0.000 1.547 255 S HN 0.324 nan 8.310 nan 0.000 0.440 256 A N 1.803 124.624 122.820 0.002 0.000 1.657 256 A HA 0.464 4.784 4.320 0.001 0.000 0.202 256 A C 0.318 177.903 177.584 0.002 0.000 1.712 256 A CA 0.047 52.086 52.037 0.003 0.000 1.203 256 A CB 0.427 19.429 19.000 0.002 0.000 1.093 256 A HN 0.696 nan 8.150 nan 0.000 0.507 257 V N 2.790 122.705 119.914 0.002 0.000 2.260 257 V HA 0.368 4.489 4.120 0.001 0.000 0.262 257 V C -0.362 175.732 176.094 0.001 0.000 1.163 257 V CA -0.148 62.152 62.300 0.001 0.000 1.194 257 V CB -0.062 31.762 31.823 0.001 0.000 1.339 257 V HN 0.408 nan 8.190 nan 0.000 0.492 258 L N 3.847 125.070 121.223 0.001 0.000 2.452 258 L HA 0.274 4.614 4.340 0.001 0.000 0.267 258 L C -0.442 176.428 176.870 0.001 0.000 1.188 258 L CA -1.149 53.691 54.840 0.001 0.000 0.821 258 L CB 0.888 42.947 42.059 -0.000 0.000 1.102 258 L HN 0.263 nan 8.230 nan 0.000 0.470 259 P HA -0.043 nan 4.420 nan 0.000 0.233 259 P C 0.638 177.940 177.300 0.003 0.000 1.167 259 P CA 0.941 64.042 63.100 0.001 0.000 0.770 259 P CB 0.230 31.930 31.700 -0.001 0.000 0.837 260 E N -0.598 119.603 120.200 0.002 0.000 2.474 260 E HA 0.199 4.550 4.350 0.001 0.000 0.195 260 E C 1.615 178.215 176.600 0.001 0.000 1.039 260 E CA 0.124 56.526 56.400 0.003 0.000 0.881 260 E CB -0.598 29.102 29.700 -0.001 0.000 0.970 260 E HN 0.011 nan 8.360 nan 0.000 0.486 261 M N 1.030 120.630 119.600 -0.000 0.000 2.561 261 M HA 0.052 4.533 4.480 0.001 0.000 0.238 261 M C 1.743 178.041 176.300 -0.003 0.000 1.131 261 M CA 0.879 56.177 55.300 -0.004 0.000 1.046 261 M CB -0.087 32.510 32.600 -0.004 0.000 1.532 261 M HN 0.695 nan 8.290 nan 0.000 0.497 262 E N -0.674 119.528 120.200 0.003 0.000 2.478 262 E HA -0.088 4.262 4.350 0.001 0.000 0.198 262 E C -0.133 176.469 176.600 0.003 0.000 1.046 262 E CA 0.451 56.854 56.400 0.004 0.000 0.870 262 E CB -0.347 29.359 29.700 0.010 0.000 0.818 262 E HN 0.253 nan 8.360 nan 0.000 0.527 263 N N 2.130 120.831 118.700 0.002 0.000 3.188 263 N HA 0.052 4.792 4.740 0.001 0.000 0.279 263 N C 0.201 175.698 175.510 -0.022 0.000 1.213 263 N CA 0.042 53.090 53.050 -0.003 0.000 1.138 263 N CB 0.887 39.380 38.487 0.010 0.000 1.417 263 N HN 0.279 nan 8.380 nan 0.000 0.526 264 Q N -0.370 119.414 119.800 -0.027 0.000 2.234 264 Q HA -0.098 4.242 4.340 0.001 0.000 0.206 264 Q C 1.152 177.119 176.000 -0.055 0.000 0.980 264 Q CA 1.166 56.947 55.803 -0.037 0.000 0.869 264 Q CB 0.265 28.982 28.738 -0.035 0.000 0.912 264 Q HN 0.319 nan 8.270 nan 0.000 0.436 265 V N -0.270 119.603 119.914 -0.067 0.000 2.825 265 V HA -0.002 4.118 4.120 0.001 0.000 0.246 265 V C 2.045 178.087 176.094 -0.086 0.000 1.068 265 V CA 1.139 63.385 62.300 -0.090 0.000 1.088 265 V CB -0.375 31.380 31.823 -0.113 0.000 0.733 265 V HN 0.286 nan 8.190 nan 0.000 0.468 266 A N 0.294 123.074 122.820 -0.068 0.000 1.969 266 A HA -0.107 4.214 4.320 0.001 0.000 0.218 266 A C 2.313 179.869 177.584 -0.045 0.000 1.169 266 A CA 1.845 53.855 52.037 -0.046 0.000 0.635 266 A CB -0.475 18.518 19.000 -0.011 0.000 0.810 266 A HN 0.336 nan 8.150 nan 0.000 0.445 267 V N -0.351 119.535 119.914 -0.047 0.000 2.453 267 V HA -0.159 3.962 4.120 0.001 0.000 0.247 267 V C 2.653 178.714 176.094 -0.056 0.000 1.048 267 V CA 2.148 64.419 62.300 -0.047 0.000 1.049 267 V CB -0.632 31.169 31.823 -0.038 0.000 0.672 267 V HN 0.530 nan 8.190 nan 0.000 0.457 268 S N 0.764 116.423 115.700 -0.069 0.000 2.423 268 S HA -0.144 4.326 4.470 0.001 0.000 0.231 268 S C 2.201 176.747 174.600 -0.091 0.000 1.014 268 S CA 1.491 59.637 58.200 -0.091 0.000 0.965 268 S CB -0.220 62.908 63.200 -0.121 0.000 0.785 268 S HN 0.815 nan 8.310 nan 0.000 0.495 269 S N 1.449 117.101 115.700 -0.079 0.000 2.425 269 S HA 0.104 4.574 4.470 0.001 0.000 0.225 269 S C 1.699 176.268 174.600 -0.051 0.000 1.024 269 S CA 0.265 58.422 58.200 -0.071 0.000 0.951 269 S CB -0.473 62.687 63.200 -0.067 0.000 0.796 269 S HN 0.324 nan 8.310 nan 0.000 0.498 270 L N 2.188 123.382 121.223 -0.048 0.000 2.362 270 L HA 0.177 4.518 4.340 0.001 0.000 0.219 270 L C 2.447 179.290 176.870 -0.044 0.000 1.134 270 L CA 1.259 56.071 54.840 -0.048 0.000 0.807 270 L CB -0.901 41.117 42.059 -0.068 0.000 0.927 270 L HN 0.439 nan 8.230 nan 0.000 0.447 271 S N -0.996 114.680 115.700 -0.040 0.000 2.402 271 S HA -0.103 4.367 4.470 0.001 0.000 0.229 271 S C 2.093 176.690 174.600 -0.005 0.000 1.021 271 S CA 1.057 59.242 58.200 -0.025 0.000 0.974 271 S CB -0.178 63.010 63.200 -0.019 0.000 0.800 271 S HN 0.628 nan 8.310 nan 0.000 0.484 272 A N 0.525 123.343 122.820 -0.003 0.000 1.930 272 A HA 0.121 4.441 4.320 0.001 0.000 0.215 272 A C 2.227 179.846 177.584 0.059 0.000 1.176 272 A CA 1.247 53.300 52.037 0.026 0.000 0.632 272 A CB -0.695 18.305 19.000 0.000 0.000 0.819 272 A HN 0.431 nan 8.150 nan 0.000 0.445 273 V N 1.324 121.250 119.914 0.021 0.000 2.343 273 V HA -0.263 3.858 4.120 0.001 0.000 0.247 273 V C 2.475 178.614 176.094 0.074 0.000 1.051 273 V CA 1.945 64.274 62.300 0.049 0.000 1.036 273 V CB -1.006 30.820 31.823 0.006 0.000 0.654 273 V HN 0.769 nan 8.190 nan 0.000 0.451 274 I N -2.196 118.377 120.570 0.005 0.000 2.676 274 I HA -0.087 4.084 4.170 0.001 0.000 0.259 274 I C 2.206 178.310 176.117 -0.021 0.000 1.194 274 I CA 1.519 62.795 61.300 -0.041 0.000 1.473 274 I CB -0.475 37.471 38.000 -0.090 0.000 1.096 274 I HN 0.158 nan 8.210 nan 0.000 0.443 275 K N 0.495 120.907 120.400 0.019 0.000 2.211 275 K HA 0.038 4.358 4.320 0.001 0.000 0.201 275 K C 1.930 178.563 176.600 0.055 0.000 1.052 275 K CA 0.854 57.150 56.287 0.014 0.000 0.973 275 K CB -0.157 32.353 32.500 0.017 0.000 0.766 275 K HN 0.229 nan 8.250 nan 0.000 0.466 276 F N 2.183 122.113 119.950 -0.033 0.000 2.102 276 F HA -0.064 4.463 4.527 0.001 0.000 0.298 276 F C 0.562 176.353 175.800 -0.016 0.000 1.105 276 F CA 1.015 59.004 58.000 -0.019 0.000 1.239 276 F CB 0.051 39.044 39.000 -0.012 0.000 0.991 276 F HN -0.194 nan 8.300 nan 0.000 0.474 277 L N 1.481 122.745 121.223 0.067 0.000 2.350 277 L HA 0.174 4.514 4.340 0.001 0.000 0.275 277 L C 0.411 177.241 176.870 -0.066 0.000 1.099 277 L CA -0.600 54.224 54.840 -0.027 0.000 0.808 277 L CB 0.672 42.766 42.059 0.059 0.000 1.149 277 L HN -0.018 nan 8.230 nan 0.000 0.442 278 E N 3.518 123.675 120.200 -0.072 0.000 2.346 278 E HA 0.011 4.362 4.350 0.001 0.000 0.317 278 E C 0.873 177.458 176.600 -0.026 0.000 1.404 278 E CA -0.095 56.277 56.400 -0.046 0.000 1.534 278 E CB 0.375 30.056 29.700 -0.033 0.000 1.309 278 E HN 0.474 nan 8.360 nan 0.000 0.499 279 L N 0.586 121.752 121.223 -0.096 0.000 2.141 279 L HA -0.059 4.281 4.340 0.001 0.000 0.209 279 L C 1.026 177.763 176.870 -0.222 0.000 1.094 279 L CA 1.352 56.039 54.840 -0.255 0.000 0.763 279 L CB 0.101 41.937 42.059 -0.372 0.000 0.908 279 L HN 0.275 nan 8.230 nan 0.000 0.437 280 L N -0.515 120.659 121.223 -0.081 0.000 2.598 280 L HA 0.225 4.566 4.340 0.001 0.000 0.241 280 L C 0.689 177.603 176.870 0.074 0.000 1.244 280 L CA -0.098 54.751 54.840 0.015 0.000 1.198 280 L CB -0.292 41.803 42.059 0.059 0.000 1.448 280 L HN 0.092 nan 8.230 nan 0.000 0.406 281 S N -1.802 113.974 115.700 0.126 0.000 3.113 281 S HA 0.084 4.554 4.470 0.001 0.000 0.265 281 S C 0.080 174.772 174.600 0.153 0.000 1.079 281 S CA -0.380 57.890 58.200 0.118 0.000 0.892 281 S CB 0.731 63.983 63.200 0.088 0.000 0.880 281 S HN 0.424 nan 8.310 nan 0.000 0.444 282 D N 3.941 124.496 120.400 0.258 0.000 2.344 282 D HA 0.289 4.930 4.640 0.001 0.000 0.253 282 D C -0.985 175.425 176.300 0.184 0.000 1.255 282 D CA 0.130 54.249 54.000 0.197 0.000 0.894 282 D CB 0.385 41.278 40.800 0.155 0.000 1.067 282 D HN 0.149 nan 8.370 nan 0.000 0.492 283 D N 0.786 121.246 120.400 0.099 0.000 2.401 283 D HA 0.025 4.666 4.640 0.001 0.000 0.254 283 D C 0.890 177.222 176.300 0.053 0.000 1.192 283 D CA 0.177 54.227 54.000 0.083 0.000 0.885 283 D CB 0.438 41.269 40.800 0.052 0.000 1.147 283 D HN 0.368 nan 8.370 nan 0.000 0.478 284 S N 1.744 117.493 115.700 0.081 0.000 3.473 284 S HA -0.290 4.181 4.470 0.001 0.000 0.339 284 S C 0.560 175.153 174.600 -0.012 0.000 1.148 284 S CA 0.593 58.826 58.200 0.055 0.000 0.969 284 S CB -1.786 61.433 63.200 0.032 0.000 0.936 284 S HN 0.498 nan 8.310 nan 0.000 0.530 285 N N 0.009 118.643 118.700 -0.110 0.000 2.235 285 N HA 0.501 5.242 4.740 0.001 0.000 0.209 285 N C 0.132 175.229 175.510 -0.688 0.000 1.122 285 N CA 0.314 53.128 53.050 -0.392 0.000 0.845 285 N CB -0.100 38.076 38.487 -0.517 0.000 1.004 285 N HN 0.648 nan 8.380 nan 0.000 0.499 286 F N -1.105 118.922 119.950 0.128 0.000 2.007 286 F HA 0.405 4.933 4.527 0.001 0.000 0.213 286 F C 1.570 177.473 175.800 0.172 0.000 1.282 286 F CA -0.268 57.861 58.000 0.215 0.000 1.244 286 F CB -0.546 38.638 39.000 0.308 0.000 1.965 286 F HN -0.112 nan 8.300 nan 0.000 0.121 287 G N 1.151 110.209 108.800 0.429 0.000 2.258 287 G HA2 -0.219 3.741 3.960 0.001 0.000 0.274 287 G HA3 -0.219 3.741 3.960 0.001 0.000 0.274 287 G C -0.145 174.891 174.900 0.227 0.000 1.021 287 G CA 1.025 46.272 45.100 0.246 0.000 0.798 287 G HN 0.490 nan 8.290 nan 0.000 0.507 288 Q N -2.408 117.599 119.800 0.346 0.000 3.069 288 Q HA 0.763 5.104 4.340 0.001 0.000 0.228 288 Q C 0.359 176.596 176.000 0.395 0.000 1.131 288 Q CA -0.741 55.208 55.803 0.243 0.000 0.454 288 Q CB 0.868 29.657 28.738 0.086 0.000 5.178 288 Q HN 0.614 nan 8.270 nan 0.000 0.289 289 F N 0.224 120.223 119.950 0.081 0.000 2.183 289 F HA -0.229 4.298 4.527 0.001 0.000 0.318 289 F C -0.471 175.353 175.800 0.039 0.000 1.271 289 F CA 0.596 58.633 58.000 0.062 0.000 0.912 289 F CB -0.332 38.695 39.000 0.046 0.000 4.135 289 F HN 0.361 nan 8.300 nan 0.000 0.137 290 E N 0.609 120.951 120.200 0.236 0.000 2.340 290 E HA 0.550 4.901 4.350 0.001 0.000 0.273 290 E C -0.244 176.415 176.600 0.099 0.000 0.891 290 E CA -0.849 55.629 56.400 0.129 0.000 0.757 290 E CB 1.932 31.685 29.700 0.088 0.000 1.231 290 E HN 0.520 nan 8.360 nan 0.000 0.439 291 L N 0.645 121.898 121.223 0.050 0.000 2.513 291 L HA 0.071 4.412 4.340 0.001 0.000 0.222 291 L C 1.057 177.928 176.870 0.003 0.000 1.096 291 L CA 0.209 55.055 54.840 0.011 0.000 0.857 291 L CB 0.072 42.130 42.059 -0.001 0.000 1.026 291 L HN 0.570 nan 8.230 nan 0.000 0.469 292 T N -0.265 114.293 114.554 0.007 0.000 2.867 292 T HA 0.231 4.581 4.350 0.001 0.000 0.297 292 T C 0.280 174.980 174.700 -0.001 0.000 0.989 292 T CA -0.355 61.732 62.100 -0.022 0.000 1.159 292 T CB 0.555 69.388 68.868 -0.058 0.000 0.928 292 T HN 0.257 nan 8.240 nan 0.000 0.538 293 T N 0.750 115.305 114.554 0.002 0.000 2.893 293 T HA 0.620 4.970 4.350 0.001 0.000 0.293 293 T C -0.540 174.195 174.700 0.059 0.000 1.027 293 T CA -0.996 61.172 62.100 0.113 0.000 0.988 293 T CB 0.918 69.913 68.868 0.212 0.000 1.043 293 T HN 0.442 nan 8.240 nan 0.000 0.461 294 F N 1.812 121.882 119.950 0.199 0.000 2.429 294 F HA 0.327 4.855 4.527 0.003 0.000 0.348 294 F C 1.252 177.145 175.800 0.155 0.000 1.109 294 F CA -0.104 57.988 58.000 0.153 0.000 1.232 294 F CB 0.549 39.661 39.000 0.186 0.000 1.157 294 F HN 0.660 nan 8.300 nan 0.000 0.564 295 D N 2.427 122.969 120.400 0.238 0.000 2.472 295 D HA -0.110 4.531 4.640 0.001 0.000 0.237 295 D C 0.882 177.256 176.300 0.123 0.000 1.141 295 D CA 0.126 54.212 54.000 0.144 0.000 0.875 295 D CB 0.380 41.175 40.800 -0.008 0.000 1.192 295 D HN 0.382 nan 8.370 nan 0.000 0.450 296 F N 1.064 121.058 119.950 0.072 0.000 2.365 296 F HA -0.032 4.495 4.527 -0.001 0.000 0.300 296 F C 1.734 177.538 175.800 0.007 0.000 1.090 296 F CA 0.739 58.758 58.000 0.030 0.000 1.408 296 F CB -0.534 38.385 39.000 -0.135 0.000 1.060 296 F HN 0.231 nan 8.300 nan 0.000 0.534 297 S N -0.818 114.360 115.700 -0.870 0.000 2.605 297 S HA 0.105 4.576 4.470 0.001 0.000 0.217 297 S C 1.160 175.551 174.600 -0.349 0.000 0.958 297 S CA -0.299 57.499 58.200 -0.669 0.000 0.919 297 S CB -0.453 62.244 63.200 -0.839 0.000 0.780 297 S HN 0.633 nan 8.310 nan 0.000 0.507 298 Q N 0.308 119.904 119.800 -0.340 0.000 2.222 298 Q HA 0.311 4.652 4.340 0.001 0.000 0.206 298 Q C -1.157 174.485 176.000 -0.597 0.000 0.877 298 Q CA 0.072 55.623 55.803 -0.420 0.000 0.958 298 Q CB 0.219 28.703 28.738 -0.423 0.000 1.075 298 Q HN 0.625 nan 8.270 nan 0.000 0.483 299 Y N -0.602 119.651 120.300 -0.078 0.000 2.609 299 Y HA 0.315 4.866 4.550 0.001 0.000 0.342 299 Y C -0.229 175.639 175.900 -0.054 0.000 1.058 299 Y CA -1.522 56.542 58.100 -0.060 0.000 1.055 299 Y CB 1.183 39.623 38.460 -0.032 0.000 1.292 299 Y HN -0.045 nan 8.280 nan 0.000 0.476 300 M N 2.945 122.630 119.600 0.142 0.000 2.184 300 M HA 0.269 4.750 4.480 0.001 0.000 0.351 300 M C -0.980 175.357 176.300 0.063 0.000 1.395 300 M CA -0.040 55.296 55.300 0.060 0.000 1.117 300 M CB 0.151 32.766 32.600 0.026 0.000 1.708 300 M HN 0.588 nan 8.290 nan 0.000 0.468 301 K N 5.247 125.677 120.400 0.049 0.000 2.295 301 K HA 0.557 4.877 4.320 0.001 0.000 0.270 301 K C -1.020 175.605 176.600 0.041 0.000 1.011 301 K CA -0.183 56.135 56.287 0.052 0.000 0.953 301 K CB 0.855 33.389 32.500 0.055 0.000 0.956 301 K HN 0.694 nan 8.250 nan 0.000 0.477 302 L N 1.091 122.338 121.223 0.041 0.000 2.415 302 L HA 0.330 4.671 4.340 0.001 0.000 0.256 302 L C -0.746 176.149 176.870 0.041 0.000 1.010 302 L CA -1.152 53.711 54.840 0.039 0.000 0.826 302 L CB 2.284 44.368 42.059 0.042 0.000 1.405 302 L HN 0.567 nan 8.230 nan 0.000 0.410 303 D N 0.555 120.979 120.400 0.041 0.000 2.312 303 D HA 0.354 4.994 4.640 0.001 0.000 0.248 303 D C 1.038 177.363 176.300 0.043 0.000 1.086 303 D CA -0.218 53.807 54.000 0.042 0.000 0.948 303 D CB 2.096 42.920 40.800 0.041 0.000 1.162 303 D HN 0.362 nan 8.370 nan 0.000 0.446 304 I N 0.587 121.181 120.570 0.040 0.000 2.928 304 I HA -0.102 4.068 4.170 0.001 0.000 0.266 304 I C 1.989 178.132 176.117 0.044 0.000 1.234 304 I CA 0.435 61.758 61.300 0.038 0.000 1.483 304 I CB -0.046 37.970 38.000 0.027 0.000 1.097 304 I HN 0.276 nan 8.210 nan 0.000 0.455 305 A N 0.779 123.626 122.820 0.044 0.000 2.030 305 A HA 0.256 4.576 4.320 0.001 0.000 0.215 305 A C 2.476 180.090 177.584 0.050 0.000 1.164 305 A CA 1.030 53.095 52.037 0.046 0.000 0.697 305 A CB -0.291 18.735 19.000 0.044 0.000 0.827 305 A HN 0.353 nan 8.150 nan 0.000 0.457 306 A N -0.482 122.367 122.820 0.047 0.000 2.016 306 A HA 0.161 4.482 4.320 0.001 0.000 0.217 306 A C 2.038 179.652 177.584 0.050 0.000 1.162 306 A CA 1.380 53.444 52.037 0.044 0.000 0.662 306 A CB -0.494 18.527 19.000 0.036 0.000 0.812 306 A HN 0.283 nan 8.150 nan 0.000 0.450 307 V N -0.005 119.947 119.914 0.064 0.000 2.379 307 V HA -0.205 3.916 4.120 0.001 0.000 0.245 307 V C 2.560 178.703 176.094 0.083 0.000 1.044 307 V CA 2.033 64.387 62.300 0.090 0.000 1.036 307 V CB -0.736 31.162 31.823 0.125 0.000 0.664 307 V HN 0.519 nan 8.190 nan 0.000 0.453 308 R N 0.171 120.714 120.500 0.072 0.000 2.115 308 R HA -0.027 4.313 4.340 0.001 0.000 0.230 308 R C 2.411 178.750 176.300 0.063 0.000 1.111 308 R CA 1.278 57.418 56.100 0.066 0.000 0.976 308 R CB -0.495 29.839 30.300 0.057 0.000 0.870 308 R HN 0.527 nan 8.270 nan 0.000 0.445 309 A N 1.181 124.037 122.820 0.061 0.000 1.873 309 A HA -0.090 4.231 4.320 0.001 0.000 0.215 309 A C 2.007 179.635 177.584 0.074 0.000 1.186 309 A CA 1.123 53.198 52.037 0.064 0.000 0.616 309 A CB -0.386 18.648 19.000 0.056 0.000 0.823 309 A HN 0.183 nan 8.150 nan 0.000 0.442 310 L N -1.097 120.159 121.223 0.056 0.000 2.558 310 L HA 0.049 4.390 4.340 0.001 0.000 0.225 310 L C 0.594 177.500 176.870 0.059 0.000 1.128 310 L CA 0.266 55.134 54.840 0.046 0.000 0.868 310 L CB -0.517 41.536 42.059 -0.010 0.000 1.006 310 L HN 0.510 nan 8.230 nan 0.000 0.454 311 N N 0.746 119.483 118.700 0.063 0.000 2.671 311 N HA -0.205 4.535 4.740 0.001 0.000 0.261 311 N C 0.510 176.024 175.510 0.006 0.000 1.053 311 N CA 0.318 53.402 53.050 0.057 0.000 0.732 311 N CB -0.996 37.535 38.487 0.075 0.000 0.887 311 N HN 0.284 nan 8.380 nan 0.000 0.546 312 L N -0.715 120.500 121.223 -0.013 0.000 2.023 312 L HA -0.058 4.283 4.340 0.001 0.000 0.205 312 L C 1.608 178.246 176.870 -0.385 0.000 1.073 312 L CA 1.405 56.132 54.840 -0.188 0.000 0.745 312 L CB -0.314 41.668 42.059 -0.128 0.000 0.900 312 L HN 0.263 nan 8.230 nan 0.000 0.435 313 F N -1.888 118.066 119.950 0.008 0.000 2.480 313 F HA 0.213 4.740 4.527 0.001 0.000 0.280 313 F C 1.154 176.954 175.800 0.001 0.000 1.002 313 F CA -0.054 57.945 58.000 -0.001 0.000 1.325 313 F CB 0.362 39.356 39.000 -0.009 0.000 1.134 313 F HN -0.074 nan 8.300 nan 0.000 0.646 322 G N 2.847 111.651 108.800 0.005 0.000 2.730 322 G HA2 0.230 4.190 3.960 0.001 0.000 0.686 322 G HA3 0.230 4.190 3.960 0.001 0.000 0.686 322 G C 0.174 175.074 174.900 0.000 0.000 1.343 322 G CA 0.329 45.431 45.100 0.004 0.000 0.826 322 G HN 1.991 nan 8.290 nan 0.000 0.582 323 S N -0.251 115.446 115.700 -0.005 0.000 2.305 323 S HA 0.625 5.095 4.470 0.001 0.000 0.239 323 S C 0.593 175.198 174.600 0.009 0.000 1.259 323 S CA 0.838 59.033 58.200 -0.007 0.000 0.998 323 S CB 0.693 63.873 63.200 -0.034 0.000 0.967 323 S HN 1.282 nan 8.310 nan 0.000 0.469 324 Q N 0.090 119.902 119.800 0.020 0.000 2.306 324 Q HA 0.515 4.855 4.340 0.001 0.000 0.265 324 Q C -0.610 175.408 176.000 0.030 0.000 1.022 324 Q CA -0.652 55.164 55.803 0.022 0.000 0.853 324 Q CB 1.793 30.543 28.738 0.020 0.000 1.327 324 Q HN 0.743 nan 8.270 nan 0.000 0.449 325 S N 2.047 117.753 115.700 0.010 0.000 2.580 325 S HA 0.067 4.538 4.470 0.001 0.000 0.274 325 S C 0.794 175.366 174.600 -0.046 0.000 1.329 325 S CA -0.508 57.684 58.200 -0.014 0.000 1.036 325 S CB 0.647 63.834 63.200 -0.020 0.000 0.919 325 S HN 0.702 nan 8.310 nan 0.000 0.515 326 L N 5.011 126.178 121.223 -0.093 0.000 2.156 326 L HA 0.204 4.544 4.340 0.001 0.000 0.208 326 L C 2.383 179.159 176.870 -0.156 0.000 1.095 326 L CA 2.245 57.018 54.840 -0.113 0.000 0.770 326 L CB -1.242 40.732 42.059 -0.141 0.000 0.914 326 L HN 0.881 nan 8.230 nan 0.000 0.439 327 A N -0.656 122.005 122.820 -0.264 0.000 1.897 327 A HA -0.011 4.310 4.320 0.001 0.000 0.215 327 A C 2.429 179.940 177.584 -0.122 0.000 1.181 327 A CA 1.387 53.265 52.037 -0.265 0.000 0.620 327 A CB -0.986 17.762 19.000 -0.421 0.000 0.821 327 A HN 0.485 nan 8.150 nan 0.000 0.443 328 A N -0.524 122.246 122.820 -0.082 0.000 1.972 328 A HA -0.001 4.319 4.320 0.001 0.000 0.219 328 A C 2.122 179.676 177.584 -0.050 0.000 1.169 328 A CA 1.687 53.695 52.037 -0.048 0.000 0.635 328 A CB -0.531 18.454 19.000 -0.025 0.000 0.810 328 A HN 0.630 nan 8.150 nan 0.000 0.446 329 L N -0.339 120.855 121.223 -0.047 0.000 2.007 329 L HA -0.033 4.307 4.340 0.001 0.000 0.205 329 L C 2.265 179.105 176.870 -0.050 0.000 1.073 329 L CA 1.765 56.584 54.840 -0.035 0.000 0.744 329 L CB -0.419 41.632 42.059 -0.014 0.000 0.898 329 L HN 0.381 nan 8.230 nan 0.000 0.435 330 L N -0.557 120.635 121.223 -0.051 0.000 2.179 330 L HA -0.052 4.288 4.340 0.001 0.000 0.208 330 L C 0.817 177.585 176.870 -0.170 0.000 1.096 330 L CA 0.396 55.200 54.840 -0.061 0.000 0.779 330 L CB -0.628 41.464 42.059 0.054 0.000 0.922 330 L HN 0.293 nan 8.230 nan 0.000 0.443 331 N N 1.192 119.801 118.700 -0.153 0.000 2.895 331 N HA 0.004 4.744 4.740 0.001 0.000 0.277 331 N C 0.210 175.626 175.510 -0.156 0.000 1.185 331 N CA 0.262 53.199 53.050 -0.187 0.000 1.106 331 N CB 0.438 38.838 38.487 -0.145 0.000 1.422 331 N HN -0.054 nan 8.380 nan 0.000 0.521 332 K N 0.696 120.992 120.400 -0.173 0.000 2.493 332 K HA 0.244 4.565 4.320 0.001 0.000 0.207 332 K C -0.338 176.148 176.600 -0.190 0.000 1.033 332 K CA -0.247 55.954 56.287 -0.144 0.000 1.161 332 K CB -0.440 32.014 32.500 -0.077 0.000 0.873 332 K HN 0.378 nan 8.250 nan 0.000 0.491 333 C N 1.534 120.708 119.300 -0.209 0.000 2.634 333 C HA 0.067 4.527 4.460 0.001 0.000 0.418 333 C C 1.458 176.349 174.990 -0.166 0.000 1.373 333 C CA -0.126 58.765 59.018 -0.211 0.000 1.756 333 C CB 0.053 27.656 27.740 -0.229 0.000 2.589 333 C HN 0.475 nan 8.230 nan 0.000 0.602 334 K N 0.766 121.073 120.400 -0.155 0.000 2.404 334 K HA 0.024 4.345 4.320 0.001 0.000 0.194 334 K C 0.852 177.399 176.600 -0.090 0.000 1.023 334 K CA 0.353 56.570 56.287 -0.117 0.000 1.094 334 K CB 0.120 32.553 32.500 -0.112 0.000 0.841 334 K HN 0.889 nan 8.250 nan 0.000 0.523 335 T N -1.714 112.780 114.554 -0.100 0.000 2.859 335 T HA 0.286 4.637 4.350 0.001 0.000 0.281 335 T C -2.456 172.185 174.700 -0.099 0.000 1.005 335 T CA -2.285 59.768 62.100 -0.078 0.000 1.025 335 T CB 1.948 70.770 68.868 -0.078 0.000 0.977 335 T HN -0.262 nan 8.240 nan 0.000 0.458 336 P HA 0.024 nan 4.420 nan 0.000 0.233 336 P C 1.192 178.437 177.300 -0.091 0.000 1.167 336 P CA 0.591 63.639 63.100 -0.088 0.000 0.770 336 P CB 0.099 31.753 31.700 -0.076 0.000 0.837 337 Q N -0.633 119.111 119.800 -0.092 0.000 2.049 337 Q HA -0.007 4.333 4.340 0.001 0.000 0.198 337 Q C 2.433 178.338 176.000 -0.159 0.000 0.971 337 Q CA 1.583 57.324 55.803 -0.103 0.000 0.833 337 Q CB -1.143 27.540 28.738 -0.093 0.000 0.896 337 Q HN 0.223 nan 8.270 nan 0.000 0.434 338 G N 0.968 109.657 108.800 -0.186 0.000 2.408 338 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 338 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 338 G C 1.319 176.054 174.900 -0.275 0.000 1.150 338 G CA 0.377 45.321 45.100 -0.260 0.000 0.776 338 G HN 0.239 nan 8.290 nan 0.000 0.542 339 Q N -0.097 119.582 119.800 -0.203 0.000 2.181 339 Q HA -0.072 4.268 4.340 0.001 0.000 0.205 339 Q C 2.759 178.662 176.000 -0.163 0.000 0.980 339 Q CA 0.969 56.668 55.803 -0.173 0.000 0.862 339 Q CB -0.121 28.542 28.738 -0.126 0.000 0.905 339 Q HN 0.431 nan 8.270 nan 0.000 0.429 340 R N 0.049 120.451 120.500 -0.162 0.000 2.090 340 R HA -0.024 4.317 4.340 0.001 0.000 0.228 340 R C 2.067 178.240 176.300 -0.212 0.000 1.110 340 R CA 0.833 56.847 56.100 -0.143 0.000 0.973 340 R CB -0.037 30.197 30.300 -0.111 0.000 0.869 340 R HN 0.236 nan 8.270 nan 0.000 0.440 341 L N 0.124 121.142 121.223 -0.342 0.000 2.446 341 L HA -0.001 4.339 4.340 0.001 0.000 0.219 341 L C 1.920 178.308 176.870 -0.803 0.000 1.116 341 L CA 0.293 54.771 54.840 -0.604 0.000 0.844 341 L CB 0.135 41.742 42.059 -0.753 0.000 0.970 341 L HN 0.019 nan 8.230 nan 0.000 0.457 342 V N -0.337 119.269 119.914 -0.513 0.000 2.649 342 V HA -0.128 3.993 4.120 0.001 0.000 0.248 342 V C 2.037 178.076 176.094 -0.092 0.000 1.054 342 V CA 1.140 63.246 62.300 -0.324 0.000 1.073 342 V CB -0.473 31.154 31.823 -0.326 0.000 0.699 342 V HN 0.450 nan 8.190 nan 0.000 0.463 343 N N 0.313 118.973 118.700 -0.065 0.000 2.188 343 N HA -0.173 4.567 4.740 0.001 0.000 0.184 343 N C 1.885 177.466 175.510 0.119 0.000 1.018 343 N CA 1.248 54.374 53.050 0.127 0.000 0.858 343 N CB -0.271 38.298 38.487 0.137 0.000 0.989 343 N HN 0.507 nan 8.380 nan 0.000 0.426 344 Q N -0.203 119.576 119.800 -0.035 0.000 2.050 344 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 344 Q C 1.405 177.481 176.000 0.127 0.000 0.980 344 Q CA 1.420 57.208 55.803 -0.024 0.000 0.840 344 Q CB -0.202 28.459 28.738 -0.129 0.000 0.898 344 Q HN 0.355 nan 8.270 nan 0.000 0.424 345 W N -0.096 121.210 121.300 0.010 0.000 2.467 345 W HA 0.075 4.735 4.660 0.000 0.000 0.275 345 W C 1.782 178.312 176.519 0.017 0.000 1.239 345 W CA 0.247 57.601 57.345 0.015 0.000 1.266 345 W CB -0.554 28.963 29.460 0.095 0.000 1.112 345 W HN 0.234 nan 8.180 nan 0.000 0.576 346 I N 0.234 120.952 120.570 0.246 0.000 2.406 346 I HA -0.211 3.959 4.170 0.001 0.000 0.249 346 I C 2.093 178.292 176.117 0.138 0.000 1.122 346 I CA 1.186 62.564 61.300 0.131 0.000 1.431 346 I CB -0.413 37.577 38.000 -0.016 0.000 1.087 346 I HN -0.172 nan 8.210 nan 0.000 0.424 347 K N 0.510 121.027 120.400 0.195 0.000 2.217 347 K HA -0.048 4.273 4.320 0.001 0.000 0.202 347 K C 0.383 176.965 176.600 -0.031 0.000 1.051 347 K CA 0.812 57.174 56.287 0.125 0.000 0.952 347 K CB 0.100 32.646 32.500 0.076 0.000 0.736 347 K HN 0.344 nan 8.250 nan 0.000 0.453 348 Q N 0.610 120.361 119.800 -0.082 0.000 2.907 348 Q HA 0.230 4.570 4.340 0.001 0.000 0.262 348 Q C -2.654 173.308 176.000 -0.064 0.000 0.997 348 Q CA -2.048 53.567 55.803 -0.313 0.000 0.797 348 Q CB 1.612 29.870 28.738 -0.801 0.000 1.228 348 Q HN -0.050 nan 8.270 nan 0.000 0.466 349 P HA 0.025 nan 4.420 nan 0.000 0.271 349 P C -0.324 177.050 177.300 0.123 0.000 1.216 349 P CA -0.044 63.082 63.100 0.043 0.000 0.776 349 P CB 0.816 32.523 31.700 0.013 0.000 0.881 350 L N 2.544 123.778 121.223 0.018 0.000 2.476 350 L HA 0.222 4.563 4.340 0.001 0.000 0.255 350 L C 1.624 178.456 176.870 -0.063 0.000 1.218 350 L CA -0.115 54.715 54.840 -0.018 0.000 0.819 350 L CB 0.138 42.123 42.059 -0.123 0.000 1.119 350 L HN 0.371 nan 8.230 nan 0.000 0.485 351 M N -1.031 118.499 119.600 -0.117 0.000 2.296 351 M HA 0.212 4.693 4.480 0.001 0.000 0.291 351 M C -0.582 175.652 176.300 -0.109 0.000 1.013 351 M CA 0.179 55.410 55.300 -0.116 0.000 1.089 351 M CB 0.129 32.644 32.600 -0.142 0.000 1.677 351 M HN 0.425 nan 8.290 nan 0.000 0.584 352 D N 1.665 121.996 120.400 -0.115 0.000 2.198 352 D HA 0.182 4.822 4.640 0.001 0.000 0.245 352 D C 1.028 177.272 176.300 -0.094 0.000 1.079 352 D CA -0.022 53.922 54.000 -0.094 0.000 0.854 352 D CB 1.560 42.310 40.800 -0.083 0.000 1.148 352 D HN 0.240 nan 8.370 nan 0.000 0.456 353 K N 1.778 122.130 120.400 -0.081 0.000 2.152 353 K HA -0.182 4.139 4.320 0.001 0.000 0.206 353 K C 0.798 177.349 176.600 -0.082 0.000 1.048 353 K CA 1.055 57.292 56.287 -0.084 0.000 0.933 353 K CB 0.065 32.523 32.500 -0.070 0.000 0.721 353 K HN 0.085 nan 8.250 nan 0.000 0.447 354 N N 0.802 119.460 118.700 -0.069 0.000 2.171 354 N HA -0.060 4.681 4.740 0.001 0.000 0.184 354 N C 1.747 177.214 175.510 -0.072 0.000 1.021 354 N CA 0.928 53.942 53.050 -0.059 0.000 0.854 354 N CB -0.168 38.295 38.487 -0.040 0.000 0.994 354 N HN 0.178 nan 8.380 nan 0.000 0.426 355 R N 0.767 121.215 120.500 -0.087 0.000 2.120 355 R HA 0.061 4.402 4.340 0.001 0.000 0.234 355 R C 2.123 178.327 176.300 -0.161 0.000 1.123 355 R CA 0.564 56.596 56.100 -0.114 0.000 0.975 355 R CB -0.641 29.583 30.300 -0.127 0.000 0.866 355 R HN 0.391 nan 8.270 nan 0.000 0.446 356 I N 0.308 120.784 120.570 -0.158 0.000 2.235 356 I HA -0.143 4.027 4.170 0.001 0.000 0.241 356 I C 1.644 177.660 176.117 -0.169 0.000 1.085 356 I CA 1.033 62.220 61.300 -0.189 0.000 1.378 356 I CB -0.370 37.524 38.000 -0.176 0.000 1.076 356 I HN 0.076 nan 8.210 nan 0.000 0.415 357 E N 0.652 120.774 120.200 -0.131 0.000 2.516 357 E HA -0.186 4.164 4.350 0.001 0.000 0.199 357 E C 1.769 178.321 176.600 -0.081 0.000 1.069 357 E CA 0.316 56.651 56.400 -0.108 0.000 0.876 357 E CB 0.053 29.698 29.700 -0.092 0.000 0.843 357 E HN 0.480 nan 8.360 nan 0.000 0.530 358 E N 1.124 121.272 120.200 -0.088 0.000 2.051 358 E HA -0.100 4.251 4.350 0.001 0.000 0.189 358 E C 1.920 178.475 176.600 -0.075 0.000 0.979 358 E CA 0.495 56.858 56.400 -0.062 0.000 0.803 358 E CB 0.233 29.898 29.700 -0.059 0.000 0.761 358 E HN 0.049 nan 8.360 nan 0.000 0.451 359 R N 0.042 120.461 120.500 -0.135 0.000 2.189 359 R HA 0.026 4.367 4.340 0.001 0.000 0.218 359 R C 2.401 178.658 176.300 -0.071 0.000 1.074 359 R CA 0.488 56.500 56.100 -0.147 0.000 0.991 359 R CB 0.025 30.138 30.300 -0.311 0.000 0.883 359 R HN 0.244 nan 8.270 nan 0.000 0.457 360 L N 0.416 121.588 121.223 -0.085 0.000 2.072 360 L HA -0.145 4.196 4.340 0.001 0.000 0.205 360 L C 1.425 178.340 176.870 0.074 0.000 1.079 360 L CA 1.023 55.842 54.840 -0.035 0.000 0.752 360 L CB -0.306 41.663 42.059 -0.150 0.000 0.906 360 L HN 0.179 nan 8.230 nan 0.000 0.436 361 N N -0.065 118.652 118.700 0.029 0.000 2.381 361 N HA -0.087 4.653 4.740 0.001 0.000 0.182 361 N C 1.848 177.400 175.510 0.070 0.000 1.025 361 N CA 0.880 53.963 53.050 0.055 0.000 0.888 361 N CB -0.164 38.337 38.487 0.024 0.000 0.965 361 N HN 0.283 nan 8.380 nan 0.000 0.438 362 L N -0.208 121.061 121.223 0.077 0.000 2.109 362 L HA -0.052 4.289 4.340 0.001 0.000 0.207 362 L C 1.874 178.877 176.870 0.223 0.000 1.086 362 L CA 0.621 55.529 54.840 0.112 0.000 0.760 362 L CB -0.222 41.908 42.059 0.118 0.000 0.910 362 L HN -0.006 nan 8.230 nan 0.000 0.437 363 V N -0.392 119.685 119.914 0.272 0.000 2.453 363 V HA -0.217 3.904 4.120 0.001 0.000 0.247 363 V C 2.265 178.493 176.094 0.224 0.000 1.048 363 V CA 1.475 63.979 62.300 0.341 0.000 1.049 363 V CB -0.506 31.528 31.823 0.351 0.000 0.672 363 V HN 0.444 nan 8.190 nan 0.000 0.457 364 E N 0.871 121.219 120.200 0.248 0.000 2.160 364 E HA -0.219 4.131 4.350 0.001 0.000 0.195 364 E C 2.182 178.794 176.600 0.020 0.000 0.991 364 E CA 1.328 57.837 56.400 0.182 0.000 0.810 364 E CB -0.323 29.500 29.700 0.205 0.000 0.742 364 E HN 0.606 nan 8.360 nan 0.000 0.466 365 A N -0.147 122.609 122.820 -0.106 0.000 2.216 365 A HA -0.090 4.230 4.320 0.001 0.000 0.214 365 A C 1.251 178.466 177.584 -0.616 0.000 1.160 365 A CA 0.937 52.759 52.037 -0.357 0.000 0.725 365 A CB -0.255 18.428 19.000 -0.529 0.000 0.784 365 A HN 0.176 nan 8.150 nan 0.000 0.472 366 F N -2.909 117.046 119.950 0.007 0.000 2.699 366 F HA 0.122 4.649 4.527 0.001 0.000 0.295 366 F C 1.993 177.737 175.800 -0.093 0.000 1.052 366 F CA 0.219 58.194 58.000 -0.041 0.000 1.239 366 F CB -0.070 38.915 39.000 -0.025 0.000 1.018 366 F HN -0.044 nan 8.300 nan 0.000 0.627 367 V N 0.528 120.452 119.914 0.016 0.000 2.307 367 V HA -0.235 3.886 4.120 0.001 0.000 0.245 367 V C 1.804 177.860 176.094 -0.063 0.000 1.045 367 V CA 2.079 64.312 62.300 -0.112 0.000 1.024 367 V CB -0.574 31.045 31.823 -0.339 0.000 0.651 367 V HN 0.308 nan 8.190 nan 0.000 0.449 368 E N -0.563 119.617 120.200 -0.033 0.000 2.427 368 E HA -0.129 4.222 4.350 0.001 0.000 0.196 368 E C 1.696 178.247 176.600 -0.083 0.000 1.028 368 E CA 0.527 56.917 56.400 -0.016 0.000 0.864 368 E CB 0.014 29.738 29.700 0.040 0.000 0.813 368 E HN 0.578 nan 8.360 nan 0.000 0.514 369 D N -0.045 120.264 120.400 -0.153 0.000 2.154 369 D HA -0.062 4.578 4.640 0.001 0.000 0.211 369 D C 1.569 177.740 176.300 -0.216 0.000 0.977 369 D CA 1.696 55.476 54.000 -0.368 0.000 0.869 369 D CB 0.284 40.893 40.800 -0.317 0.000 1.022 369 D HN 0.022 nan 8.370 nan 0.000 0.461 370 A N 0.343 123.111 122.820 -0.087 0.000 2.070 370 A HA -0.346 3.975 4.320 0.001 0.000 0.231 370 A C 1.670 179.235 177.584 -0.031 0.000 0.501 370 A CA 2.042 54.052 52.037 -0.044 0.000 1.119 370 A CB -2.016 16.956 19.000 -0.047 0.000 1.430 370 A HN 0.474 nan 8.150 nan 0.000 0.706 371 E N -0.335 119.830 120.200 -0.060 0.000 2.216 371 E HA 0.081 4.432 4.350 0.001 0.000 0.192 371 E C 1.814 178.415 176.600 0.002 0.000 0.988 371 E CA 1.073 57.457 56.400 -0.027 0.000 0.834 371 E CB -0.130 29.553 29.700 -0.029 0.000 0.772 371 E HN 0.781 nan 8.360 nan 0.000 0.479 372 L N 0.332 121.565 121.223 0.016 0.000 2.270 372 L HA -0.016 4.324 4.340 0.001 0.000 0.210 372 L C 2.389 179.316 176.870 0.095 0.000 1.104 372 L CA 0.457 55.350 54.840 0.088 0.000 0.804 372 L CB -0.141 42.013 42.059 0.159 0.000 0.937 372 L HN 0.044 nan 8.230 nan 0.000 0.450 373 R N -0.022 120.527 120.500 0.082 0.000 2.073 373 R HA -0.175 4.166 4.340 0.001 0.000 0.234 373 R C 2.261 178.545 176.300 -0.026 0.000 1.134 373 R CA 1.425 57.531 56.100 0.011 0.000 0.952 373 R CB -0.277 30.038 30.300 0.026 0.000 0.850 373 R HN 0.466 nan 8.270 nan 0.000 0.433 374 Q N -0.192 119.605 119.800 -0.005 0.000 2.084 374 Q HA -0.117 4.223 4.340 0.001 0.000 0.202 374 Q C 1.977 177.966 176.000 -0.018 0.000 0.978 374 Q CA 1.972 57.766 55.803 -0.015 0.000 0.844 374 Q CB -0.163 28.573 28.738 -0.003 0.000 0.898 374 Q HN 0.456 nan 8.270 nan 0.000 0.426 375 T N -1.866 112.687 114.554 -0.001 0.000 3.160 375 T HA 0.081 4.432 4.350 0.001 0.000 0.257 375 T C 1.522 176.226 174.700 0.006 0.000 1.147 375 T CA 0.413 62.517 62.100 0.006 0.000 1.064 375 T CB 0.089 68.970 68.868 0.022 0.000 0.949 375 T HN 0.091 nan 8.240 nan 0.000 0.526 376 L N -0.700 120.515 121.223 -0.013 0.000 2.590 376 L HA 0.254 4.595 4.340 0.001 0.000 0.181 376 L C 2.907 179.740 176.870 -0.061 0.000 1.134 376 L CA 0.164 54.988 54.840 -0.026 0.000 0.850 376 L CB -0.486 41.537 42.059 -0.059 0.000 1.172 376 L HN 0.141 nan 8.230 nan 0.000 0.498 377 Q N 1.236 120.968 119.800 -0.114 0.000 1.956 377 Q HA -0.274 4.066 4.340 0.001 0.000 0.208 377 Q C 1.627 177.549 176.000 -0.129 0.000 0.998 377 Q CA 2.664 58.370 55.803 -0.161 0.000 0.855 377 Q CB -0.049 28.546 28.738 -0.238 0.000 0.928 377 Q HN 0.594 nan 8.270 nan 0.000 0.418 378 E N -1.251 118.881 120.200 -0.114 0.000 2.489 378 E HA -0.047 4.303 4.350 0.001 0.000 0.193 378 E C 0.302 176.869 176.600 -0.056 0.000 1.057 378 E CA 0.663 57.010 56.400 -0.088 0.000 0.866 378 E CB 0.375 30.026 29.700 -0.081 0.000 0.916 378 E HN 0.340 nan 8.360 nan 0.000 0.500 379 D N 0.538 120.912 120.400 -0.043 0.000 3.234 379 D HA 0.152 4.792 4.640 0.001 0.000 0.281 379 D C 1.894 178.183 176.300 -0.017 0.000 1.405 379 D CA 0.253 54.236 54.000 -0.027 0.000 1.115 379 D CB -0.162 40.628 40.800 -0.017 0.000 1.198 379 D HN 0.080 nan 8.370 nan 0.000 0.388 380 L N 0.568 121.799 121.223 0.013 0.000 2.130 380 L HA 0.113 4.453 4.340 0.001 0.000 0.200 380 L C 2.479 179.459 176.870 0.184 0.000 1.075 380 L CA 0.408 55.289 54.840 0.070 0.000 0.768 380 L CB -0.224 41.907 42.059 0.120 0.000 0.933 380 L HN -0.039 nan 8.230 nan 0.000 0.451 381 L N 0.267 121.588 121.223 0.162 0.000 2.043 381 L HA -0.242 4.099 4.340 0.001 0.000 0.212 381 L C 2.827 179.821 176.870 0.208 0.000 1.075 381 L CA 1.634 56.594 54.840 0.201 0.000 0.752 381 L CB -0.687 41.362 42.059 -0.017 0.000 0.891 381 L HN 0.381 nan 8.230 nan 0.000 0.432 382 R N 0.507 121.042 120.500 0.058 0.000 2.193 382 R HA -0.156 4.184 4.340 0.001 0.000 0.229 382 R C 2.032 178.330 176.300 -0.004 0.000 1.110 382 R CA 1.140 57.245 56.100 0.008 0.000 0.988 382 R CB -0.469 29.809 30.300 -0.036 0.000 0.871 382 R HN 0.314 nan 8.270 nan 0.000 0.458 383 R N 0.022 120.491 120.500 -0.052 0.000 2.280 383 R HA 0.078 4.419 4.340 0.001 0.000 0.207 383 R C -0.281 175.838 176.300 -0.302 0.000 1.043 383 R CA 0.316 56.291 56.100 -0.208 0.000 1.006 383 R CB -0.011 30.090 30.300 -0.330 0.000 0.885 383 R HN 0.119 nan 8.270 nan 0.000 0.467 384 F N 2.697 122.602 119.950 -0.074 0.000 2.424 384 F HA 0.244 4.771 4.527 0.001 0.000 0.356 384 F C -1.550 174.212 175.800 -0.063 0.000 1.110 384 F CA -2.813 55.141 58.000 -0.076 0.000 1.161 384 F CB 0.621 39.573 39.000 -0.079 0.000 1.115 384 F HN -0.123 nan 8.300 nan 0.000 0.507 385 P HA 0.027 nan 4.420 nan 0.000 0.276 385 P C -0.766 176.576 177.300 0.069 0.000 1.252 385 P CA -0.477 62.659 63.100 0.060 0.000 0.802 385 P CB 0.858 32.586 31.700 0.046 0.000 1.035 386 D N 0.889 121.317 120.400 0.048 0.000 2.363 386 D HA 0.024 4.665 4.640 0.001 0.000 0.263 386 D C 1.267 177.599 176.300 0.053 0.000 1.258 386 D CA 0.161 54.182 54.000 0.036 0.000 0.907 386 D CB 0.080 40.892 40.800 0.020 0.000 1.107 386 D HN 0.202 nan 8.370 nan 0.000 0.495 387 L N 3.596 124.844 121.223 0.042 0.000 2.141 387 L HA -0.163 4.178 4.340 0.001 0.000 0.209 387 L C 1.863 178.768 176.870 0.058 0.000 1.094 387 L CA 0.556 55.425 54.840 0.048 0.000 0.763 387 L CB -0.308 41.769 42.059 0.030 0.000 0.908 387 L HN 0.349 nan 8.230 nan 0.000 0.437 388 N N 0.304 119.031 118.700 0.045 0.000 2.289 388 N HA -0.126 4.614 4.740 0.001 0.000 0.184 388 N C 1.885 177.429 175.510 0.058 0.000 1.016 388 N CA 0.957 54.035 53.050 0.046 0.000 0.872 388 N CB -0.120 38.386 38.487 0.032 0.000 0.973 388 N HN 0.325 nan 8.380 nan 0.000 0.433 389 R N 0.231 120.772 120.500 0.069 0.000 2.066 389 R HA 0.078 4.418 4.340 0.001 0.000 0.232 389 R C 2.061 178.396 176.300 0.058 0.000 1.131 389 R CA 0.823 56.973 56.100 0.082 0.000 0.955 389 R CB -0.342 30.040 30.300 0.137 0.000 0.851 389 R HN 0.195 nan 8.270 nan 0.000 0.432 390 L N 0.167 121.438 121.223 0.080 0.000 2.217 390 L HA -0.017 4.324 4.340 0.001 0.000 0.211 390 L C 2.575 179.564 176.870 0.198 0.000 1.107 390 L CA 0.684 55.586 54.840 0.103 0.000 0.783 390 L CB -0.486 41.683 42.059 0.183 0.000 0.919 390 L HN 0.238 nan 8.230 nan 0.000 0.442 391 A N 0.342 123.252 122.820 0.150 0.000 1.972 391 A HA -0.185 4.136 4.320 0.001 0.000 0.219 391 A C 2.348 179.994 177.584 0.104 0.000 1.169 391 A CA 1.427 53.550 52.037 0.144 0.000 0.635 391 A CB -0.210 18.840 19.000 0.082 0.000 0.810 391 A HN 0.308 nan 8.150 nan 0.000 0.446 392 K N -0.085 120.347 120.400 0.053 0.000 1.973 392 K HA -0.099 4.221 4.320 0.001 0.000 0.210 392 K C 2.037 178.622 176.600 -0.024 0.000 1.045 392 K CA 1.553 57.845 56.287 0.008 0.000 0.937 392 K CB -0.247 32.258 32.500 0.008 0.000 0.721 392 K HN 0.357 nan 8.250 nan 0.000 0.438 393 K N 0.133 120.484 120.400 -0.082 0.000 2.127 393 K HA -0.170 4.150 4.320 0.001 0.000 0.208 393 K C 2.016 178.474 176.600 -0.236 0.000 1.047 393 K CA 1.621 57.785 56.287 -0.205 0.000 0.927 393 K CB -0.233 32.067 32.500 -0.334 0.000 0.716 393 K HN 0.063 nan 8.250 nan 0.000 0.450 394 F N 0.787 120.727 119.950 -0.017 0.000 2.293 394 F HA -0.061 4.466 4.527 0.001 0.000 0.297 394 F C 2.507 178.294 175.800 -0.022 0.000 1.089 394 F CA 0.950 58.945 58.000 -0.008 0.000 1.377 394 F CB -0.107 38.899 39.000 0.009 0.000 1.051 394 F HN 0.052 nan 8.300 nan 0.000 0.511 395 Q N 0.265 120.138 119.800 0.121 0.000 2.424 395 Q HA 0.043 4.384 4.340 0.001 0.000 0.204 395 Q C 2.061 178.031 176.000 -0.050 0.000 0.933 395 Q CA 0.563 56.381 55.803 0.025 0.000 0.929 395 Q CB 0.204 28.937 28.738 -0.008 0.000 1.037 395 Q HN 0.351 nan 8.270 nan 0.000 0.511 396 R N -0.153 120.313 120.500 -0.056 0.000 2.393 396 R HA 0.215 4.555 4.340 0.001 0.000 0.244 396 R C 1.273 177.538 176.300 -0.059 0.000 0.920 396 R CA 1.236 57.285 56.100 -0.086 0.000 1.076 396 R CB -1.081 29.166 30.300 -0.088 0.000 1.119 396 R HN 0.441 nan 8.270 nan 0.000 0.524 397 Q N -2.281 117.499 119.800 -0.035 0.000 2.284 397 Q HA -0.175 4.165 4.340 0.001 0.000 0.205 397 Q C 1.109 177.079 176.000 -0.049 0.000 0.682 397 Q CA 2.158 57.949 55.803 -0.020 0.000 1.401 397 Q CB -2.832 25.900 28.738 -0.009 0.000 1.643 397 Q HN 2.138 nan 8.270 nan 0.000 0.717 398 A N -0.336 122.432 122.820 -0.087 0.000 3.215 398 A HA 0.788 5.108 4.320 0.001 0.000 0.269 398 A C 0.593 178.066 177.584 -0.184 0.000 1.517 398 A CA 0.857 52.831 52.037 -0.106 0.000 1.221 398 A CB -0.550 18.397 19.000 -0.088 0.000 1.160 398 A HN 2.117 nan 8.150 nan 0.000 0.620 399 A N 0.903 123.596 122.820 -0.212 0.000 2.355 399 A HA 0.712 5.033 4.320 0.001 0.000 0.317 399 A C -0.281 177.186 177.584 -0.196 0.000 1.094 399 A CA -0.688 51.135 52.037 -0.355 0.000 0.764 399 A CB 0.922 19.470 19.000 -0.753 0.000 1.230 399 A HN 0.492 nan 8.150 nan 0.000 0.448 400 N N 0.390 118.978 118.700 -0.186 0.000 2.530 400 N HA 0.377 5.118 4.740 0.001 0.000 0.283 400 N C 0.628 176.107 175.510 -0.051 0.000 1.238 400 N CA -0.775 52.223 53.050 -0.086 0.000 0.971 400 N CB 1.150 39.591 38.487 -0.078 0.000 1.195 400 N HN 0.426 nan 8.380 nan 0.000 0.583 401 L N 1.066 122.277 121.223 -0.019 0.000 2.376 401 L HA 0.090 4.431 4.340 0.001 0.000 0.219 401 L C 2.014 178.786 176.870 -0.164 0.000 1.133 401 L CA 1.476 56.307 54.840 -0.015 0.000 0.816 401 L CB -0.627 41.446 42.059 0.022 0.000 0.933 401 L HN 0.704 nan 8.230 nan 0.000 0.449 402 Q N -0.826 118.809 119.800 -0.274 0.000 2.167 402 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 402 Q C 1.075 176.936 176.000 -0.231 0.000 0.970 402 Q CA 1.584 57.067 55.803 -0.533 0.000 0.855 402 Q CB 0.107 28.638 28.738 -0.345 0.000 0.911 402 Q HN 0.489 nan 8.270 nan 0.000 0.438 403 D N -0.626 119.704 120.400 -0.117 0.000 2.348 403 D HA -0.075 4.566 4.640 0.001 0.000 0.216 403 D C 1.352 177.799 176.300 0.244 0.000 0.970 403 D CA 0.470 54.449 54.000 -0.036 0.000 0.889 403 D CB -0.049 40.578 40.800 -0.289 0.000 0.912 403 D HN 0.312 nan 8.370 nan 0.000 0.524 404 C N -0.534 118.906 119.300 0.233 0.000 2.524 404 C HA 0.005 4.466 4.460 0.001 0.000 0.284 404 C C 2.397 177.497 174.990 0.183 0.000 1.346 404 C CA -0.413 58.796 59.018 0.319 0.000 1.739 404 C CB -0.935 26.947 27.740 0.237 0.000 2.119 404 C HN 0.329 nan 8.230 nan 0.000 0.501 405 Y N 2.023 122.273 120.300 -0.083 0.000 2.242 405 Y HA -0.108 4.443 4.550 0.001 0.000 0.291 405 Y C 2.757 178.668 175.900 0.019 0.000 1.137 405 Y CA 1.781 59.833 58.100 -0.081 0.000 1.181 405 Y CB -0.409 37.893 38.460 -0.263 0.000 0.989 405 Y HN 0.163 nan 8.280 nan 0.000 0.527 406 R N -0.283 120.224 120.500 0.012 0.000 2.115 406 R HA -0.147 4.194 4.340 0.001 0.000 0.230 406 R C 2.033 178.308 176.300 -0.042 0.000 1.111 406 R CA 1.413 57.502 56.100 -0.018 0.000 0.976 406 R CB -0.429 29.896 30.300 0.041 0.000 0.870 406 R HN 0.456 nan 8.270 nan 0.000 0.445 407 L N -0.106 121.141 121.223 0.039 0.000 2.156 407 L HA -0.091 4.250 4.340 0.001 0.000 0.208 407 L C 1.774 178.644 176.870 -0.001 0.000 1.095 407 L CA 1.543 56.408 54.840 0.041 0.000 0.770 407 L CB -0.566 41.578 42.059 0.141 0.000 0.914 407 L HN 0.207 nan 8.230 nan 0.000 0.439 408 Y N -0.209 120.009 120.300 -0.137 0.000 2.293 408 Y HA -0.223 4.328 4.550 0.001 0.000 0.291 408 Y C 2.463 178.174 175.900 -0.315 0.000 1.137 408 Y CA 1.618 59.587 58.100 -0.218 0.000 1.202 408 Y CB 0.020 38.292 38.460 -0.312 0.000 0.990 408 Y HN 0.339 nan 8.280 nan 0.000 0.537 409 Q N -0.300 119.275 119.800 -0.375 0.000 2.014 409 Q HA -0.233 4.108 4.340 0.001 0.000 0.207 409 Q C 2.508 178.230 176.000 -0.462 0.000 0.993 409 Q CA 1.728 57.278 55.803 -0.422 0.000 0.850 409 Q CB -0.786 27.753 28.738 -0.332 0.000 0.916 409 Q HN 0.645 nan 8.270 nan 0.000 0.417 410 G N 0.757 109.301 108.800 -0.426 0.000 2.418 410 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 410 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 410 G C 1.419 176.147 174.900 -0.288 0.000 1.158 410 G CA 0.717 45.496 45.100 -0.535 0.000 0.771 410 G HN 0.233 nan 8.290 nan 0.000 0.545 411 I N 0.816 121.223 120.570 -0.271 0.000 2.315 411 I HA -0.149 4.022 4.170 0.001 0.000 0.248 411 I C 2.506 178.449 176.117 -0.290 0.000 1.117 411 I CA 1.104 62.262 61.300 -0.236 0.000 1.404 411 I CB -0.208 37.626 38.000 -0.277 0.000 1.071 411 I HN 0.124 nan 8.210 nan 0.000 0.419 412 N N 0.891 119.277 118.700 -0.524 0.000 2.396 412 N HA -0.151 4.590 4.740 0.001 0.000 0.180 412 N C 1.517 176.854 175.510 -0.288 0.000 1.028 412 N CA 1.172 53.917 53.050 -0.509 0.000 0.893 412 N CB 0.103 38.103 38.487 -0.811 0.000 0.967 412 N HN 0.395 nan 8.380 nan 0.000 0.440 413 Q N -0.599 119.026 119.800 -0.291 0.000 2.220 413 Q HA 0.095 4.436 4.340 0.001 0.000 0.205 413 Q C 0.955 176.916 176.000 -0.065 0.000 0.865 413 Q CA -0.223 55.453 55.803 -0.211 0.000 0.960 413 Q CB 0.466 29.012 28.738 -0.320 0.000 1.097 413 Q HN 0.235 nan 8.270 nan 0.000 0.493 414 L N 2.333 123.558 121.223 0.004 0.000 2.109 414 L HA -0.009 4.332 4.340 0.001 0.000 0.207 414 L C -0.927 175.997 176.870 0.091 0.000 1.086 414 L CA 1.594 56.526 54.840 0.153 0.000 0.760 414 L CB -0.767 41.379 42.059 0.144 0.000 0.910 414 L HN 0.042 nan 8.230 nan 0.000 0.437 415 P HA -0.111 nan 4.420 nan 0.000 0.220 415 P C 0.728 178.050 177.300 0.037 0.000 1.148 415 P CA 1.178 64.298 63.100 0.034 0.000 0.803 415 P CB -0.198 31.509 31.700 0.012 0.000 0.782 416 N N -0.312 118.405 118.700 0.029 0.000 2.381 416 N HA -0.072 4.668 4.740 0.001 0.000 0.182 416 N C 1.715 177.261 175.510 0.060 0.000 1.025 416 N CA 0.683 53.752 53.050 0.031 0.000 0.888 416 N CB -0.979 37.512 38.487 0.006 0.000 0.965 416 N HN 0.081 nan 8.380 nan 0.000 0.438 417 V N 0.873 120.843 119.914 0.092 0.000 2.407 417 V HA -0.038 4.083 4.120 0.001 0.000 0.245 417 V C 2.093 178.238 176.094 0.084 0.000 1.041 417 V CA 0.903 63.267 62.300 0.105 0.000 1.040 417 V CB -0.283 31.622 31.823 0.137 0.000 0.671 417 V HN 0.193 nan 8.190 nan 0.000 0.455 418 I N -0.100 120.514 120.570 0.075 0.000 2.252 418 I HA -0.252 3.919 4.170 0.001 0.000 0.245 418 I C 2.523 178.674 176.117 0.058 0.000 1.102 418 I CA 1.438 62.777 61.300 0.065 0.000 1.385 418 I CB -0.432 37.602 38.000 0.057 0.000 1.064 418 I HN 0.324 nan 8.210 nan 0.000 0.414 419 Q N 0.570 120.400 119.800 0.051 0.000 2.437 419 Q HA -0.080 4.261 4.340 0.001 0.000 0.210 419 Q C 2.184 178.214 176.000 0.050 0.000 0.972 419 Q CA 1.169 56.998 55.803 0.044 0.000 0.903 419 Q CB -0.033 28.725 28.738 0.034 0.000 0.967 419 Q HN 0.585 nan 8.270 nan 0.000 0.486 420 A N 0.018 122.875 122.820 0.061 0.000 1.997 420 A HA 0.056 4.376 4.320 0.001 0.000 0.212 420 A C 1.805 179.441 177.584 0.088 0.000 1.178 420 A CA 0.187 52.267 52.037 0.071 0.000 0.698 420 A CB -0.036 19.009 19.000 0.075 0.000 0.842 420 A HN 0.248 nan 8.150 nan 0.000 0.458 421 L N -0.294 120.983 121.223 0.089 0.000 2.291 421 L HA -0.042 4.298 4.340 0.001 0.000 0.214 421 L C 1.738 178.649 176.870 0.068 0.000 1.120 421 L CA 0.772 55.668 54.840 0.093 0.000 0.799 421 L CB -0.261 41.855 42.059 0.095 0.000 0.925 421 L HN 0.418 nan 8.230 nan 0.000 0.446 422 E N -0.228 120.006 120.200 0.056 0.000 2.476 422 E HA -0.055 4.295 4.350 0.001 0.000 0.191 422 E C 1.358 177.981 176.600 0.038 0.000 1.064 422 E CA 0.111 56.535 56.400 0.040 0.000 0.866 422 E CB 0.369 30.089 29.700 0.034 0.000 0.952 422 E HN 0.462 nan 8.360 nan 0.000 0.492 423 K N -0.081 120.353 120.400 0.057 0.000 2.167 423 K HA 0.041 4.362 4.320 0.001 0.000 0.214 423 K C 1.192 177.837 176.600 0.074 0.000 1.024 423 K CA 0.132 56.456 56.287 0.063 0.000 0.951 423 K CB 0.086 32.630 32.500 0.074 0.000 0.907 423 K HN 0.055 nan 8.250 nan 0.000 0.459 424 H N 3.274 122.352 119.070 0.014 0.000 2.855 424 H HA 0.035 4.592 4.556 0.001 0.000 0.238 424 H C -1.008 174.313 175.328 -0.011 0.000 1.847 424 H CA 0.002 56.051 56.048 0.002 0.000 1.368 424 H CB -0.387 29.376 29.762 0.001 0.000 1.758 424 H HN 0.272 nan 8.280 nan 0.000 0.546 425 E N 2.009 122.125 120.200 -0.140 0.000 2.089 425 E HA 0.305 4.655 4.350 0.001 0.000 0.284 425 E C 0.039 176.535 176.600 -0.173 0.000 1.023 425 E CA -1.140 55.195 56.400 -0.109 0.000 0.819 425 E CB 0.980 30.651 29.700 -0.048 0.000 1.076 425 E HN 0.478 nan 8.360 nan 0.000 0.396 426 G N 4.063 112.779 108.800 -0.141 0.000 3.058 426 G HA2 0.039 4.000 3.960 0.001 0.000 0.316 426 G HA3 0.039 4.000 3.960 0.001 0.000 0.316 426 G C 0.515 175.399 174.900 -0.027 0.000 0.951 426 G CA -0.674 44.366 45.100 -0.100 0.000 1.535 426 G HN 0.503 nan 8.290 nan 0.000 0.500 427 K N 0.513 120.902 120.400 -0.017 0.000 2.160 427 K HA -0.194 4.127 4.320 0.001 0.000 0.206 427 K C 1.820 178.439 176.600 0.030 0.000 1.047 427 K CA 1.051 57.340 56.287 0.005 0.000 0.930 427 K CB -0.012 32.491 32.500 0.004 0.000 0.720 427 K HN 0.626 nan 8.250 nan 0.000 0.450 428 H N 1.005 120.057 119.070 -0.030 0.000 2.403 428 H HA 0.010 4.567 4.556 0.001 0.000 0.298 428 H C 1.304 176.624 175.328 -0.014 0.000 1.059 428 H CA 1.172 57.208 56.048 -0.019 0.000 1.363 428 H CB 0.477 30.227 29.762 -0.020 0.000 1.410 428 H HN 0.279 nan 8.280 nan 0.000 0.528 429 Q N 0.175 120.009 119.800 0.057 0.000 2.403 429 Q HA 0.027 4.367 4.340 0.001 0.000 0.203 429 Q C 1.487 177.476 176.000 -0.019 0.000 0.932 429 Q CA 0.043 55.853 55.803 0.011 0.000 0.945 429 Q CB 0.519 29.280 28.738 0.038 0.000 1.045 429 Q HN 0.332 nan 8.270 nan 0.000 0.511 430 K N 0.370 120.756 120.400 -0.023 0.000 2.444 430 K HA 0.102 4.423 4.320 0.001 0.000 0.193 430 K C 1.132 177.722 176.600 -0.016 0.000 1.024 430 K CA 0.112 56.394 56.287 -0.009 0.000 1.077 430 K CB 0.349 32.846 32.500 -0.005 0.000 0.833 430 K HN 0.191 nan 8.250 nan 0.000 0.517 431 L N 1.087 122.274 121.223 -0.061 0.000 2.675 431 L HA -0.005 4.335 4.340 0.001 0.000 0.239 431 L C 1.293 178.149 176.870 -0.023 0.000 1.151 431 L CA 0.512 55.312 54.840 -0.068 0.000 0.905 431 L CB -0.064 41.911 42.059 -0.140 0.000 1.057 431 L HN 0.182 nan 8.230 nan 0.000 0.435 432 L N -2.848 118.389 121.223 0.023 0.000 2.753 432 L HA 0.076 4.417 4.340 0.001 0.000 0.238 432 L C 1.846 178.835 176.870 0.198 0.000 1.028 432 L CA 0.021 54.926 54.840 0.107 0.000 0.966 432 L CB 0.003 42.105 42.059 0.070 0.000 1.681 432 L HN 0.055 nan 8.230 nan 0.000 0.511 433 L N 0.779 122.073 121.223 0.119 0.000 2.023 433 L HA -0.025 4.315 4.340 0.001 0.000 0.205 433 L C 2.677 179.633 176.870 0.142 0.000 1.073 433 L CA 1.443 56.367 54.840 0.140 0.000 0.745 433 L CB -0.520 41.574 42.059 0.058 0.000 0.900 433 L HN 0.249 nan 8.230 nan 0.000 0.435 434 A N -0.592 122.270 122.820 0.071 0.000 2.178 434 A HA -0.064 4.257 4.320 0.001 0.000 0.218 434 A C 2.144 179.732 177.584 0.007 0.000 1.157 434 A CA 1.018 53.078 52.037 0.039 0.000 0.689 434 A CB -0.591 18.416 19.000 0.012 0.000 0.787 434 A HN 0.257 nan 8.150 nan 0.000 0.465 435 V N -2.312 117.603 119.914 0.002 0.000 2.719 435 V HA -0.048 4.073 4.120 0.001 0.000 0.252 435 V C 1.286 177.161 176.094 -0.365 0.000 1.065 435 V CA 1.218 63.418 62.300 -0.167 0.000 1.086 435 V CB -0.732 30.991 31.823 -0.167 0.000 0.700 435 V HN 0.587 nan 8.190 nan 0.000 0.467 436 F N -1.660 118.309 119.950 0.032 0.000 2.698 436 F HA 0.346 4.873 4.527 0.000 0.000 0.304 436 F C 1.358 177.184 175.800 0.044 0.000 1.108 436 F CA 0.178 58.205 58.000 0.044 0.000 1.263 436 F CB 0.685 39.722 39.000 0.060 0.000 1.013 436 F HN -0.132 nan 8.300 nan 0.000 0.532 437 V N -1.070 118.926 119.914 0.136 0.000 3.307 437 V HA -0.115 4.006 4.120 0.001 0.000 0.244 437 V C 2.272 178.399 176.094 0.055 0.000 1.196 437 V CA 1.701 64.061 62.300 0.100 0.000 1.132 437 V CB -0.050 31.825 31.823 0.088 0.000 0.875 437 V HN 0.427 nan 8.190 nan 0.000 0.468 438 T N -0.539 114.027 114.554 0.019 0.000 2.788 438 T HA -0.086 4.264 4.350 0.001 0.000 0.268 438 T C -0.265 174.436 174.700 0.001 0.000 1.044 438 T CA 1.491 63.591 62.100 -0.001 0.000 1.139 438 T CB -1.595 67.256 68.868 -0.028 0.000 0.867 438 T HN 0.382 nan 8.240 nan 0.000 0.454 439 P HA 0.121 nan 4.420 nan 0.000 0.217 439 P C 1.698 179.026 177.300 0.046 0.000 1.151 439 P CA 0.588 63.695 63.100 0.011 0.000 0.828 439 P CB -0.253 31.453 31.700 0.012 0.000 0.788 440 L N -1.277 119.983 121.223 0.062 0.000 2.042 440 L HA -0.181 4.159 4.340 0.001 0.000 0.210 440 L C 2.546 179.458 176.870 0.069 0.000 1.076 440 L CA 2.055 56.937 54.840 0.070 0.000 0.749 440 L CB -1.426 40.673 42.059 0.068 0.000 0.893 440 L HN 0.074 nan 8.230 nan 0.000 0.432 441 T N -1.629 112.958 114.554 0.055 0.000 3.023 441 T HA -0.124 4.227 4.350 0.001 0.000 0.266 441 T C 1.392 176.119 174.700 0.045 0.000 1.093 441 T CA 1.042 63.172 62.100 0.051 0.000 1.129 441 T CB -0.108 68.784 68.868 0.040 0.000 0.899 441 T HN 0.244 nan 8.240 nan 0.000 0.491 442 D N 0.852 121.273 120.400 0.036 0.000 2.137 442 D HA 0.085 4.725 4.640 0.001 0.000 0.202 442 D C 2.063 178.379 176.300 0.027 0.000 0.970 442 D CA 0.715 54.727 54.000 0.022 0.000 0.837 442 D CB -0.235 40.568 40.800 0.004 0.000 0.981 442 D HN 0.386 nan 8.370 nan 0.000 0.475 443 L N 0.431 121.686 121.223 0.054 0.000 2.201 443 L HA -0.098 4.243 4.340 0.001 0.000 0.212 443 L C 2.396 179.378 176.870 0.186 0.000 1.105 443 L CA 0.534 55.427 54.840 0.089 0.000 0.775 443 L CB -0.184 41.974 42.059 0.165 0.000 0.913 443 L HN -0.053 nan 8.230 nan 0.000 0.440 444 R N 0.981 121.573 120.500 0.153 0.000 2.081 444 R HA -0.157 4.184 4.340 0.001 0.000 0.235 444 R C 2.374 178.751 176.300 0.128 0.000 1.131 444 R CA 2.129 58.321 56.100 0.154 0.000 0.960 444 R CB -0.682 29.676 30.300 0.097 0.000 0.856 444 R HN 0.425 nan 8.270 nan 0.000 0.436 445 S N -0.742 115.004 115.700 0.077 0.000 2.496 445 S HA 0.014 4.485 4.470 0.001 0.000 0.224 445 S C 1.108 175.729 174.600 0.034 0.000 0.996 445 S CA 0.647 58.879 58.200 0.054 0.000 0.927 445 S CB -0.007 63.214 63.200 0.035 0.000 0.774 445 S HN 0.274 nan 8.310 nan 0.000 0.524 446 D N 1.353 121.744 120.400 -0.015 0.000 2.149 446 D HA 0.074 4.715 4.640 0.001 0.000 0.201 446 D C 0.742 176.932 176.300 -0.184 0.000 0.972 446 D CA 0.865 54.788 54.000 -0.127 0.000 0.835 446 D CB -0.338 40.288 40.800 -0.290 0.000 0.966 446 D HN 0.512 nan 8.370 nan 0.000 0.476 447 F N 0.834 120.775 119.950 -0.015 0.000 2.732 447 F HA 0.073 4.600 4.527 0.001 0.000 0.303 447 F C 2.149 177.957 175.800 0.013 0.000 1.110 447 F CA -0.144 57.792 58.000 -0.106 0.000 1.355 447 F CB -0.254 38.693 39.000 -0.088 0.000 1.081 447 F HN -0.130 nan 8.300 nan 0.000 0.565 448 S N -0.403 115.390 115.700 0.155 0.000 2.447 448 S HA -0.143 4.328 4.470 0.001 0.000 0.233 448 S C 1.716 176.380 174.600 0.107 0.000 1.006 448 S CA 0.853 59.124 58.200 0.119 0.000 0.957 448 S CB -0.254 62.996 63.200 0.084 0.000 0.773 448 S HN 0.421 nan 8.310 nan 0.000 0.507 449 K N -0.443 120.029 120.400 0.120 0.000 2.352 449 K HA 0.259 4.579 4.320 0.001 0.000 0.194 449 K C 1.419 178.094 176.600 0.125 0.000 1.038 449 K CA 0.226 56.585 56.287 0.120 0.000 1.023 449 K CB -0.110 32.479 32.500 0.148 0.000 0.840 449 K HN 0.438 nan 8.250 nan 0.000 0.519 450 F N 3.033 122.941 119.950 -0.069 0.000 2.234 450 F HA -0.133 4.395 4.527 0.001 0.000 0.296 450 F C 2.333 178.128 175.800 -0.009 0.000 1.089 450 F CA 1.311 59.233 58.000 -0.131 0.000 1.343 450 F CB -0.004 38.767 39.000 -0.382 0.000 1.040 450 F HN -0.035 nan 8.300 nan 0.000 0.498 451 Q N 0.003 119.770 119.800 -0.054 0.000 2.119 451 Q HA -0.173 4.167 4.340 0.001 0.000 0.201 451 Q C 1.557 177.543 176.000 -0.023 0.000 0.972 451 Q CA 1.863 57.679 55.803 0.021 0.000 0.847 451 Q CB -0.868 27.962 28.738 0.154 0.000 0.903 451 Q HN 0.535 nan 8.270 nan 0.000 0.433 452 E N 0.357 120.543 120.200 -0.023 0.000 2.427 452 E HA -0.040 4.311 4.350 0.001 0.000 0.196 452 E C 1.821 178.367 176.600 -0.090 0.000 1.028 452 E CA 0.560 56.943 56.400 -0.028 0.000 0.864 452 E CB -0.037 29.673 29.700 0.018 0.000 0.813 452 E HN 0.460 nan 8.360 nan 0.000 0.514 453 M N 0.423 119.930 119.600 -0.154 0.000 2.248 453 M HA -0.052 4.428 4.480 0.001 0.000 0.265 453 M C 1.935 178.043 176.300 -0.319 0.000 1.079 453 M CA 1.301 56.488 55.300 -0.189 0.000 1.150 453 M CB 0.215 32.728 32.600 -0.144 0.000 1.366 453 M HN 0.076 nan 8.290 nan 0.000 0.433 454 I N 0.273 120.588 120.570 -0.426 0.000 2.252 454 I HA -0.252 3.919 4.170 0.001 0.000 0.245 454 I C 1.927 177.793 176.117 -0.418 0.000 1.102 454 I CA 1.276 62.281 61.300 -0.492 0.000 1.385 454 I CB -0.540 37.017 38.000 -0.739 0.000 1.064 454 I HN 0.355 nan 8.210 nan 0.000 0.414 455 E N 0.470 120.463 120.200 -0.345 0.000 2.160 455 E HA -0.214 4.136 4.350 0.001 0.000 0.195 455 E C 2.075 178.571 176.600 -0.173 0.000 0.991 455 E CA 1.977 58.247 56.400 -0.216 0.000 0.810 455 E CB -0.124 29.516 29.700 -0.100 0.000 0.742 455 E HN 0.609 nan 8.360 nan 0.000 0.466 456 T N -2.193 112.234 114.554 -0.211 0.000 3.054 456 T HA -0.025 4.326 4.350 0.001 0.000 0.259 456 T C 2.035 176.428 174.700 -0.511 0.000 1.092 456 T CA 1.093 63.066 62.100 -0.213 0.000 1.121 456 T CB -0.034 68.778 68.868 -0.092 0.000 0.912 456 T HN 0.179 nan 8.240 nan 0.000 0.489 457 T N 0.037 114.240 114.554 -0.586 0.000 3.021 457 T HA 0.359 4.709 4.350 0.001 0.000 0.245 457 T C 0.435 174.955 174.700 -0.300 0.000 1.028 457 T CA -0.274 61.436 62.100 -0.650 0.000 1.139 457 T CB -0.425 68.081 68.868 -0.604 0.000 0.884 457 T HN 0.174 nan 8.240 nan 0.000 0.457 458 L N 2.862 123.952 121.223 -0.223 0.000 2.276 458 L HA 0.467 4.808 4.340 0.001 0.000 0.286 458 L C -0.163 176.659 176.870 -0.081 0.000 1.061 458 L CA -0.471 54.300 54.840 -0.115 0.000 0.807 458 L CB 0.932 42.940 42.059 -0.085 0.000 1.177 458 L HN 0.147 nan 8.230 nan 0.000 0.429 459 D N 3.675 124.051 120.400 -0.041 0.000 2.359 459 D HA 0.070 4.711 4.640 0.001 0.000 0.250 459 D C 1.154 177.425 176.300 -0.048 0.000 1.264 459 D CA -0.131 53.852 54.000 -0.029 0.000 0.911 459 D CB 0.749 41.547 40.800 -0.003 0.000 1.056 459 D HN 0.519 nan 8.370 nan 0.000 0.499 460 M N 1.127 120.699 119.600 -0.046 0.000 2.549 460 M HA -0.032 4.449 4.480 0.001 0.000 0.260 460 M C 0.277 176.539 176.300 -0.062 0.000 1.076 460 M CA 0.892 56.161 55.300 -0.052 0.000 1.090 460 M CB 0.120 32.708 32.600 -0.019 0.000 1.418 460 M HN -0.013 nan 8.290 nan 0.000 0.486 461 D N 1.682 122.051 120.400 -0.052 0.000 2.144 461 D HA -0.117 4.524 4.640 0.001 0.000 0.200 461 D C 1.682 177.934 176.300 -0.081 0.000 0.978 461 D CA 1.323 55.291 54.000 -0.052 0.000 0.833 461 D CB -0.180 40.601 40.800 -0.032 0.000 0.961 461 D HN 0.653 nan 8.370 nan 0.000 0.470 462 Q N -0.192 119.549 119.800 -0.098 0.000 2.282 462 Q HA 0.139 4.480 4.340 0.001 0.000 0.206 462 Q C 1.826 177.678 176.000 -0.246 0.000 0.878 462 Q CA -0.109 55.613 55.803 -0.136 0.000 0.944 462 Q CB 1.139 29.820 28.738 -0.096 0.000 1.100 462 Q HN 0.075 nan 8.270 nan 0.000 0.509 463 V N 1.415 121.171 119.914 -0.262 0.000 2.270 463 V HA -0.224 3.897 4.120 0.001 0.000 0.245 463 V C 1.699 177.515 176.094 -0.462 0.000 1.043 463 V CA 1.867 63.908 62.300 -0.432 0.000 1.014 463 V CB -0.193 31.431 31.823 -0.332 0.000 0.645 463 V HN 0.360 nan 8.190 nan 0.000 0.447 464 E N 0.008 120.041 120.200 -0.279 0.000 2.516 464 E HA -0.128 4.223 4.350 0.001 0.000 0.199 464 E C 1.627 178.058 176.600 -0.282 0.000 1.069 464 E CA 0.287 56.552 56.400 -0.224 0.000 0.876 464 E CB -0.087 29.539 29.700 -0.123 0.000 0.843 464 E HN 0.543 nan 8.360 nan 0.000 0.530 465 N N 0.366 118.874 118.700 -0.320 0.000 2.174 465 N HA -0.091 4.650 4.740 0.001 0.000 0.191 465 N C 1.341 176.471 175.510 -0.633 0.000 1.059 465 N CA 1.490 54.314 53.050 -0.377 0.000 0.889 465 N CB 0.206 38.568 38.487 -0.208 0.000 1.069 465 N HN 0.130 nan 8.380 nan 0.000 0.461 466 H N -1.865 117.051 119.070 -0.256 0.000 1.785 466 H HA 0.136 4.692 4.556 0.001 0.000 0.156 466 H C 0.086 175.172 175.328 -0.403 0.000 1.015 466 H CA -0.094 55.804 56.048 -0.250 0.000 1.056 466 H CB -0.097 29.579 29.762 -0.142 0.000 0.903 466 H HN 0.408 nan 8.280 nan 0.000 0.313 467 E N 1.921 121.985 120.200 -0.226 0.000 2.445 467 E HA 0.177 4.527 4.350 0.001 0.000 0.254 467 E C -1.146 175.100 176.600 -0.590 0.000 1.229 467 E CA -0.426 55.811 56.400 -0.272 0.000 0.974 467 E CB 0.769 30.430 29.700 -0.064 0.000 1.177 467 E HN 0.030 nan 8.360 nan 0.000 0.536 468 F N 0.023 119.951 119.950 -0.036 0.000 2.577 468 F HA 0.414 4.942 4.527 0.001 0.000 0.344 468 F C -0.095 175.688 175.800 -0.029 0.000 1.145 468 F CA -0.565 57.397 58.000 -0.064 0.000 0.996 468 F CB 1.214 40.173 39.000 -0.069 0.000 1.248 468 F HN 0.176 nan 8.300 nan 0.000 0.447 469 L N 2.200 123.483 121.223 0.100 0.000 2.267 469 L HA 0.758 5.099 4.340 0.001 0.000 0.264 469 L C -0.673 176.234 176.870 0.061 0.000 1.021 469 L CA -1.508 53.384 54.840 0.087 0.000 0.861 469 L CB 1.895 44.006 42.059 0.086 0.000 1.443 469 L HN 0.102 nan 8.230 nan 0.000 0.475 470 V N 0.070 120.019 119.914 0.058 0.000 2.547 470 V HA 0.264 4.384 4.120 0.001 0.000 0.299 470 V C -0.099 176.027 176.094 0.053 0.000 1.040 470 V CA -1.063 61.250 62.300 0.022 0.000 0.913 470 V CB 1.497 33.324 31.823 0.007 0.000 0.992 470 V HN 0.538 nan 8.190 nan 0.000 0.449 471 K N 4.779 125.197 120.400 0.030 0.000 2.453 471 K HA 0.087 4.407 4.320 0.001 0.000 0.280 471 K C -1.680 175.008 176.600 0.146 0.000 1.045 471 K CA -0.887 55.449 56.287 0.080 0.000 1.059 471 K CB 0.826 33.369 32.500 0.072 0.000 0.901 471 K HN 0.425 nan 8.250 nan 0.000 0.475 472 P HA -0.143 nan 4.420 nan 0.000 0.220 472 P C 1.048 178.420 177.300 0.120 0.000 1.152 472 P CA 0.917 64.108 63.100 0.152 0.000 0.812 472 P CB 0.229 32.032 31.700 0.172 0.000 0.792 473 S N -1.762 114.006 115.700 0.113 0.000 2.474 473 S HA -0.133 4.337 4.470 0.001 0.000 0.235 473 S C 1.757 176.424 174.600 0.112 0.000 0.997 473 S CA 0.367 58.621 58.200 0.090 0.000 0.949 473 S CB -1.512 61.733 63.200 0.076 0.000 0.766 473 S HN 0.036 nan 8.310 nan 0.000 0.517 474 F N 3.058 123.009 119.950 0.002 0.000 2.074 474 F HA 0.195 4.723 4.527 0.001 0.000 0.290 474 F C 0.712 176.506 175.800 -0.010 0.000 1.118 474 F CA 0.946 58.942 58.000 -0.007 0.000 1.199 474 F CB -0.620 38.372 39.000 -0.013 0.000 1.012 474 F HN 0.141 nan 8.300 nan 0.000 0.472 475 D N 1.914 122.287 120.400 -0.045 0.000 2.339 475 D HA 0.121 4.762 4.640 0.001 0.000 0.256 475 D C -1.714 174.518 176.300 -0.113 0.000 1.214 475 D CA -2.458 51.443 54.000 -0.166 0.000 0.877 475 D CB 1.122 41.922 40.800 -0.000 0.000 1.111 475 D HN 0.037 nan 8.370 nan 0.000 0.478 476 P HA -0.155 nan 4.420 nan 0.000 0.222 476 P C 0.890 178.158 177.300 -0.053 0.000 1.147 476 P CA 0.724 63.770 63.100 -0.090 0.000 0.790 476 P CB 0.392 32.030 31.700 -0.102 0.000 0.780 477 N N 0.286 118.952 118.700 -0.057 0.000 2.207 477 N HA -0.063 4.677 4.740 0.001 0.000 0.182 477 N C 1.761 177.259 175.510 -0.020 0.000 1.020 477 N CA 0.990 54.017 53.050 -0.038 0.000 0.858 477 N CB -0.902 37.556 38.487 -0.048 0.000 0.991 477 N HN 0.064 nan 8.380 nan 0.000 0.427 478 L N 0.341 121.546 121.223 -0.030 0.000 2.418 478 L HA 0.050 4.390 4.340 0.001 0.000 0.218 478 L C 2.209 179.133 176.870 0.089 0.000 1.125 478 L CA 0.679 55.523 54.840 0.006 0.000 0.835 478 L CB -0.394 41.606 42.059 -0.098 0.000 0.953 478 L HN 0.257 nan 8.230 nan 0.000 0.454 479 S N -0.512 115.215 115.700 0.044 0.000 2.368 479 S HA -0.240 4.230 4.470 0.001 0.000 0.224 479 S C 1.817 176.444 174.600 0.046 0.000 1.029 479 S CA 1.272 59.501 58.200 0.047 0.000 0.988 479 S CB -0.162 63.047 63.200 0.015 0.000 0.838 479 S HN 0.522 nan 8.310 nan 0.000 0.462 480 E N 0.024 120.244 120.200 0.032 0.000 2.250 480 E HA 0.093 4.444 4.350 0.001 0.000 0.192 480 E C 1.886 178.509 176.600 0.038 0.000 0.986 480 E CA 0.183 56.599 56.400 0.026 0.000 0.849 480 E CB -0.072 29.634 29.700 0.011 0.000 0.797 480 E HN 0.417 nan 8.360 nan 0.000 0.482 481 L N 1.808 123.070 121.223 0.065 0.000 2.131 481 L HA -0.139 4.202 4.340 0.001 0.000 0.210 481 L C 2.321 179.245 176.870 0.090 0.000 1.092 481 L CA 1.810 56.706 54.840 0.093 0.000 0.759 481 L CB -0.282 41.865 42.059 0.147 0.000 0.903 481 L HN 0.103 nan 8.230 nan 0.000 0.435 482 R N -1.313 119.255 120.500 0.113 0.000 2.193 482 R HA -0.017 4.324 4.340 0.001 0.000 0.213 482 R C 1.772 178.072 176.300 0.001 0.000 1.055 482 R CA 1.120 57.237 56.100 0.027 0.000 0.995 482 R CB -0.659 29.680 30.300 0.064 0.000 0.893 482 R HN 0.374 nan 8.270 nan 0.000 0.459 483 E N 1.056 121.267 120.200 0.019 0.000 2.208 483 E HA -0.066 4.284 4.350 0.001 0.000 0.193 483 E C 1.861 178.462 176.600 0.000 0.000 0.988 483 E CA 1.065 57.471 56.400 0.010 0.000 0.828 483 E CB -0.040 29.668 29.700 0.013 0.000 0.763 483 E HN 0.433 nan 8.360 nan 0.000 0.478 484 I N 0.682 121.248 120.570 -0.006 0.000 2.233 484 I HA -0.247 3.923 4.170 0.001 0.000 0.243 484 I C 2.458 178.556 176.117 -0.032 0.000 1.093 484 I CA 0.725 62.016 61.300 -0.016 0.000 1.380 484 I CB -0.215 37.773 38.000 -0.020 0.000 1.067 484 I HN 0.149 nan 8.210 nan 0.000 0.413 485 M N 0.319 119.873 119.600 -0.076 0.000 2.108 485 M HA -0.225 4.256 4.480 0.001 0.000 0.261 485 M C 2.103 178.426 176.300 0.039 0.000 1.066 485 M CA 1.787 57.016 55.300 -0.118 0.000 1.107 485 M CB -1.501 30.966 32.600 -0.220 0.000 1.356 485 M HN 0.285 nan 8.290 nan 0.000 0.406 486 N N 0.816 119.524 118.700 0.012 0.000 2.171 486 N HA -0.137 4.604 4.740 0.001 0.000 0.184 486 N C 1.047 176.565 175.510 0.013 0.000 1.021 486 N CA 1.442 54.505 53.050 0.021 0.000 0.854 486 N CB -0.138 38.354 38.487 0.008 0.000 0.994 486 N HN 0.183 nan 8.380 nan 0.000 0.426 487 D N -0.100 120.305 120.400 0.008 0.000 2.219 487 D HA -0.029 4.612 4.640 0.001 0.000 0.205 487 D C 1.901 178.200 176.300 -0.002 0.000 0.970 487 D CA 0.382 54.382 54.000 0.000 0.000 0.851 487 D CB -0.114 40.686 40.800 0.001 0.000 0.943 487 D HN 0.311 nan 8.370 nan 0.000 0.488 488 L N 0.577 121.811 121.223 0.020 0.000 2.093 488 L HA -0.114 4.227 4.340 0.001 0.000 0.208 488 L C 2.111 178.942 176.870 -0.065 0.000 1.085 488 L CA 1.071 55.923 54.840 0.020 0.000 0.755 488 L CB -0.308 41.829 42.059 0.129 0.000 0.904 488 L HN 0.016 nan 8.230 nan 0.000 0.435 489 E N 0.079 120.238 120.200 -0.069 0.000 2.268 489 E HA -0.199 4.152 4.350 0.001 0.000 0.195 489 E C 2.006 178.516 176.600 -0.151 0.000 0.995 489 E CA 0.793 57.078 56.400 -0.192 0.000 0.836 489 E CB 0.087 29.717 29.700 -0.118 0.000 0.763 489 E HN 0.454 nan 8.360 nan 0.000 0.491 490 K N 0.654 121.005 120.400 -0.082 0.000 2.186 490 K HA -0.019 4.302 4.320 0.001 0.000 0.202 490 K C 1.798 178.364 176.600 -0.057 0.000 1.052 490 K CA 0.594 56.846 56.287 -0.059 0.000 0.965 490 K CB 0.125 32.606 32.500 -0.032 0.000 0.746 490 K HN -0.042 nan 8.250 nan 0.000 0.457 491 K N 0.131 120.495 120.400 -0.061 0.000 2.365 491 K HA 0.024 4.344 4.320 0.001 0.000 0.199 491 K C 1.864 178.429 176.600 -0.058 0.000 1.045 491 K CA 0.682 56.943 56.287 -0.044 0.000 0.962 491 K CB 0.110 32.591 32.500 -0.033 0.000 0.759 491 K HN 0.067 nan 8.250 nan 0.000 0.469 492 M N 0.549 120.072 119.600 -0.129 0.000 2.134 492 M HA -0.094 4.387 4.480 0.001 0.000 0.262 492 M C 1.874 178.127 176.300 -0.078 0.000 1.076 492 M CA 1.673 56.867 55.300 -0.176 0.000 1.143 492 M CB -0.941 31.428 32.600 -0.385 0.000 1.346 492 M HN 0.106 nan 8.290 nan 0.000 0.421 493 Q N 0.303 120.057 119.800 -0.076 0.000 2.369 493 Q HA -0.078 4.263 4.340 0.001 0.000 0.206 493 Q C 2.149 178.160 176.000 0.018 0.000 0.963 493 Q CA 1.597 57.387 55.803 -0.022 0.000 0.894 493 Q CB -0.142 28.574 28.738 -0.036 0.000 0.965 493 Q HN 0.641 nan 8.270 nan 0.000 0.475 494 S N 0.093 115.800 115.700 0.012 0.000 2.371 494 S HA -0.126 4.344 4.470 0.001 0.000 0.224 494 S C 2.154 176.787 174.600 0.055 0.000 1.029 494 S CA 1.347 59.562 58.200 0.025 0.000 0.978 494 S CB -0.724 62.483 63.200 0.013 0.000 0.833 494 S HN 0.446 nan 8.310 nan 0.000 0.466 495 T N 0.769 115.373 114.554 0.084 0.000 2.995 495 T HA 0.199 4.549 4.350 0.001 0.000 0.269 495 T C 1.756 176.584 174.700 0.213 0.000 1.091 495 T CA 0.621 62.809 62.100 0.148 0.000 1.128 495 T CB -0.673 68.319 68.868 0.206 0.000 0.891 495 T HN 0.309 nan 8.240 nan 0.000 0.492 496 L N 0.163 121.524 121.223 0.229 0.000 2.046 496 L HA 0.063 4.404 4.340 0.001 0.000 0.208 496 L C 2.536 179.475 176.870 0.116 0.000 1.077 496 L CA 1.365 56.355 54.840 0.251 0.000 0.747 496 L CB -0.367 41.797 42.059 0.175 0.000 0.896 496 L HN 0.309 nan 8.230 nan 0.000 0.432 497 I N -2.033 118.584 120.570 0.078 0.000 2.716 497 I HA -0.176 3.995 4.170 0.001 0.000 0.259 497 I C 2.623 178.763 176.117 0.039 0.000 1.172 497 I CA 0.613 61.941 61.300 0.047 0.000 1.478 497 I CB -0.190 37.830 38.000 0.034 0.000 1.104 497 I HN 0.121 nan 8.210 nan 0.000 0.439 498 S N 0.902 116.630 115.700 0.047 0.000 2.406 498 S HA -0.006 4.465 4.470 0.001 0.000 0.228 498 S C 2.138 176.761 174.600 0.037 0.000 1.020 498 S CA 1.199 59.422 58.200 0.039 0.000 0.965 498 S CB -0.027 63.200 63.200 0.044 0.000 0.798 498 S HN 0.465 nan 8.310 nan 0.000 0.488 499 A N 0.580 123.411 122.820 0.017 0.000 2.067 499 A HA 0.467 4.788 4.320 0.001 0.000 0.217 499 A C 2.207 179.778 177.584 -0.021 0.000 1.156 499 A CA 1.216 53.239 52.037 -0.023 0.000 0.683 499 A CB -0.751 18.062 19.000 -0.312 0.000 0.808 499 A HN 0.619 nan 8.150 nan 0.000 0.455 500 A N -0.196 122.624 122.820 -0.001 0.000 2.016 500 A HA -0.015 4.306 4.320 0.001 0.000 0.217 500 A C 2.174 179.760 177.584 0.003 0.000 1.162 500 A CA 0.973 53.011 52.037 0.002 0.000 0.662 500 A CB -0.304 18.707 19.000 0.018 0.000 0.812 500 A HN 0.492 nan 8.150 nan 0.000 0.450 501 R N -0.282 120.227 120.500 0.014 0.000 2.119 501 R HA -0.055 4.286 4.340 0.001 0.000 0.222 501 R C 0.823 177.133 176.300 0.018 0.000 1.088 501 R CA 1.251 57.360 56.100 0.014 0.000 0.984 501 R CB -0.169 30.142 30.300 0.018 0.000 0.884 501 R HN 0.398 nan 8.270 nan 0.000 0.447 502 D N 0.190 120.611 120.400 0.036 0.000 2.277 502 D HA -0.028 4.613 4.640 0.001 0.000 0.208 502 D C 1.428 177.733 176.300 0.009 0.000 0.962 502 D CA 0.921 54.959 54.000 0.063 0.000 0.865 502 D CB 0.316 41.225 40.800 0.182 0.000 0.939 502 D HN 0.204 nan 8.370 nan 0.000 0.510 503 L N -1.263 119.937 121.223 -0.038 0.000 2.817 503 L HA 0.295 4.636 4.340 0.001 0.000 0.248 503 L C 0.990 177.825 176.870 -0.059 0.000 1.133 503 L CA 0.012 54.796 54.840 -0.093 0.000 0.935 503 L CB 0.555 42.511 42.059 -0.172 0.000 1.266 503 L HN -0.022 nan 8.230 nan 0.000 0.535 504 G N 1.923 110.705 108.800 -0.031 0.000 2.295 504 G HA2 -0.256 3.704 3.960 0.001 0.000 0.287 504 G HA3 -0.256 3.704 3.960 0.001 0.000 0.287 504 G C -0.206 174.683 174.900 -0.018 0.000 1.055 504 G CA 0.316 45.404 45.100 -0.020 0.000 0.922 504 G HN 0.236 nan 8.290 nan 0.000 0.503 505 L N -0.871 120.343 121.223 -0.014 0.000 2.301 505 L HA 0.512 4.853 4.340 0.001 0.000 0.264 505 L C -0.357 176.517 176.870 0.007 0.000 1.016 505 L CA -1.433 53.404 54.840 -0.004 0.000 0.821 505 L CB 1.320 43.377 42.059 -0.003 0.000 1.346 505 L HN -0.075 nan 8.230 nan 0.000 0.429 506 D N 1.891 122.297 120.400 0.011 0.000 2.371 506 D HA 0.183 4.823 4.640 0.001 0.000 0.256 506 D C -2.343 173.971 176.300 0.023 0.000 1.193 506 D CA -1.064 52.944 54.000 0.015 0.000 0.881 506 D CB 0.688 41.496 40.800 0.013 0.000 1.143 506 D HN 0.121 nan 8.370 nan 0.000 0.473 507 P HA 0.153 nan 4.420 nan 0.000 0.271 507 P C 1.078 178.396 177.300 0.029 0.000 1.233 507 P CA 0.137 63.257 63.100 0.033 0.000 0.764 507 P CB 1.017 32.734 31.700 0.029 0.000 0.825 508 G N 4.050 112.871 108.800 0.035 0.000 2.550 508 G HA2 -0.378 3.583 3.960 0.001 0.000 0.233 508 G HA3 -0.378 3.583 3.960 0.001 0.000 0.233 508 G C 1.215 176.128 174.900 0.022 0.000 1.170 508 G CA 0.449 45.564 45.100 0.025 0.000 0.693 508 G HN 0.504 nan 8.290 nan 0.000 0.512 509 K N 0.015 120.428 120.400 0.021 0.000 2.155 509 K HA 0.148 4.468 4.320 0.001 0.000 0.203 509 K C 2.327 178.941 176.600 0.023 0.000 1.052 509 K CA 1.525 57.823 56.287 0.018 0.000 0.948 509 K CB 0.023 32.532 32.500 0.014 0.000 0.728 509 K HN 0.521 nan 8.250 nan 0.000 0.448 510 Q N -0.415 119.403 119.800 0.030 0.000 2.384 510 Q HA 0.243 4.583 4.340 0.001 0.000 0.264 510 Q C -0.354 175.680 176.000 0.057 0.000 0.825 510 Q CA -0.004 55.821 55.803 0.037 0.000 0.984 510 Q CB 1.144 29.898 28.738 0.028 0.000 1.183 510 Q HN 0.085 nan 8.270 nan 0.000 0.537 511 I N 2.319 122.928 120.570 0.064 0.000 2.382 511 I HA 0.367 4.538 4.170 0.001 0.000 0.286 511 I C -0.830 175.342 176.117 0.091 0.000 1.002 511 I CA -0.537 60.821 61.300 0.097 0.000 1.135 511 I CB 1.701 39.768 38.000 0.113 0.000 1.288 511 I HN -0.035 nan 8.210 nan 0.000 0.448 512 K N 5.869 126.314 120.400 0.075 0.000 2.306 512 K HA 0.706 5.026 4.320 0.001 0.000 0.236 512 K C -1.141 175.444 176.600 -0.025 0.000 1.013 512 K CA -0.930 55.372 56.287 0.026 0.000 0.857 512 K CB 2.838 35.337 32.500 -0.000 0.000 1.214 512 K HN 0.392 nan 8.250 nan 0.000 0.449 513 L N 1.673 122.834 121.223 -0.102 0.000 2.388 513 L HA 0.375 4.715 4.340 0.001 0.000 0.267 513 L C -1.564 175.171 176.870 -0.225 0.000 0.995 513 L CA -0.356 54.338 54.840 -0.244 0.000 0.864 513 L CB 1.092 42.987 42.059 -0.273 0.000 1.216 513 L HN 0.556 nan 8.230 nan 0.000 0.430 514 D N 1.977 122.140 120.400 -0.394 0.000 2.350 514 D HA 0.554 5.194 4.640 0.001 0.000 0.238 514 D C -0.439 175.481 176.300 -0.633 0.000 0.989 514 D CA -0.094 53.670 54.000 -0.394 0.000 0.921 514 D CB 2.162 42.769 40.800 -0.322 0.000 1.297 514 D HN 0.517 nan 8.370 nan 0.000 0.490 515 S N 0.912 116.288 115.700 -0.539 0.000 2.693 515 S HA 0.765 5.235 4.470 0.001 0.000 0.276 515 S C -0.205 174.160 174.600 -0.392 0.000 1.192 515 S CA -0.594 57.153 58.200 -0.754 0.000 0.994 515 S CB 1.445 64.149 63.200 -0.828 0.000 1.012 515 S HN 0.359 nan 8.310 nan 0.000 0.550 516 S N -1.243 114.290 115.700 -0.277 0.000 2.552 516 S HA 0.605 5.075 4.470 0.001 0.000 0.272 516 S C 0.243 174.784 174.600 -0.098 0.000 1.150 516 S CA -0.168 57.991 58.200 -0.069 0.000 0.849 516 S CB 0.915 64.240 63.200 0.209 0.000 1.113 516 S HN 1.321 nan 8.310 nan 0.000 0.458 517 A N 2.321 125.080 122.820 -0.102 0.000 2.072 517 A HA 0.116 4.436 4.320 0.001 0.000 0.216 517 A C 1.824 179.310 177.584 -0.163 0.000 1.156 517 A CA 0.637 52.609 52.037 -0.108 0.000 0.701 517 A CB -0.328 18.616 19.000 -0.094 0.000 0.816 517 A HN 0.727 nan 8.150 nan 0.000 0.458 518 Q N -1.375 118.259 119.800 -0.275 0.000 2.062 518 Q HA -0.012 4.328 4.340 0.001 0.000 0.196 518 Q C 1.105 176.681 176.000 -0.707 0.000 0.967 518 Q CA 1.472 56.913 55.803 -0.603 0.000 0.832 518 Q CB -0.122 28.046 28.738 -0.950 0.000 0.899 518 Q HN 0.751 nan 8.270 nan 0.000 0.442 519 F N -1.983 117.983 119.950 0.027 0.000 2.581 519 F HA 0.389 4.917 4.527 0.001 0.000 0.278 519 F C 1.347 177.182 175.800 0.058 0.000 1.000 519 F CA 0.526 58.552 58.000 0.043 0.000 1.230 519 F CB 0.210 39.223 39.000 0.022 0.000 1.008 519 F HN 0.173 nan 8.300 nan 0.000 0.695 520 G N -0.298 108.624 108.800 0.204 0.000 2.395 520 G HA2 -0.137 3.823 3.960 0.001 0.000 0.201 520 G HA3 -0.137 3.823 3.960 0.001 0.000 0.201 520 G C -1.369 173.431 174.900 -0.168 0.000 1.206 520 G CA -0.982 44.097 45.100 -0.034 0.000 1.210 520 G HN -0.017 nan 8.290 nan 0.000 0.557 521 Y N 1.371 121.590 120.300 -0.136 0.000 2.309 521 Y HA 0.633 5.183 4.550 0.001 0.000 0.327 521 Y C 0.794 176.553 175.900 -0.235 0.000 1.172 521 Y CA 1.017 58.908 58.100 -0.347 0.000 1.280 521 Y CB 1.021 39.229 38.460 -0.420 0.000 1.234 521 Y HN 0.830 nan 8.280 nan 0.000 0.512 522 Y N -1.124 119.056 120.300 -0.199 0.000 2.788 522 Y HA 0.679 5.229 4.550 0.001 0.000 0.335 522 Y C -2.155 173.404 175.900 -0.567 0.000 1.287 522 Y CA -2.641 55.247 58.100 -0.353 0.000 1.068 522 Y CB 0.699 39.045 38.460 -0.190 0.000 1.340 522 Y HN 0.269 nan 8.280 nan 0.000 0.449 523 F N 1.187 121.040 119.950 -0.162 0.000 2.450 523 F HA 0.823 5.350 4.527 0.001 0.000 0.332 523 F C 0.178 175.674 175.800 -0.506 0.000 1.093 523 F CA -0.734 56.977 58.000 -0.483 0.000 1.003 523 F CB 1.963 40.394 39.000 -0.950 0.000 1.151 523 F HN 0.303 nan 8.300 nan 0.000 0.474 524 R N 1.113 121.591 120.500 -0.038 0.000 2.771 524 R HA 0.891 5.232 4.340 0.001 0.000 0.274 524 R C -1.447 174.943 176.300 0.149 0.000 0.987 524 R CA -0.919 55.230 56.100 0.083 0.000 0.908 524 R CB 2.780 33.167 30.300 0.145 0.000 1.213 524 R HN 0.489 nan 8.270 nan 0.000 0.468 525 V N -0.726 119.308 119.914 0.200 0.000 3.069 525 V HA 0.405 4.525 4.120 0.001 0.000 0.312 525 V C -0.133 176.024 176.094 0.105 0.000 1.369 525 V CA -1.045 61.345 62.300 0.151 0.000 1.047 525 V CB 1.961 33.883 31.823 0.165 0.000 1.098 525 V HN 0.965 nan 8.190 nan 0.000 0.473 526 T N -1.192 113.403 114.554 0.068 0.000 2.919 526 T HA 0.080 4.431 4.350 0.001 0.000 0.302 526 T C 1.234 175.961 174.700 0.045 0.000 1.031 526 T CA 0.205 62.333 62.100 0.047 0.000 1.127 526 T CB 0.460 69.345 68.868 0.028 0.000 0.952 526 T HN 1.184 nan 8.240 nan 0.000 0.540 527 C N 0.954 120.278 119.300 0.039 0.000 2.421 527 C HA 0.088 4.549 4.460 0.001 0.000 0.296 527 C C 1.159 176.156 174.990 0.011 0.000 1.470 527 C CA -0.387 58.649 59.018 0.030 0.000 1.779 527 C CB -1.533 26.222 27.740 0.025 0.000 1.715 527 C HN 0.851 nan 8.230 nan 0.000 0.564 528 K N 2.056 122.460 120.400 0.007 0.000 2.997 528 K HA 0.285 4.605 4.320 0.001 0.000 0.249 528 K C -0.364 176.226 176.600 -0.018 0.000 1.284 528 K CA 0.335 56.619 56.287 -0.006 0.000 1.245 528 K CB 0.043 32.541 32.500 -0.004 0.000 1.670 528 K HN 0.541 nan 8.250 nan 0.000 0.385 529 E N 1.205 121.387 120.200 -0.030 0.000 2.241 529 E HA 0.135 4.486 4.350 0.001 0.000 0.263 529 E C -0.012 176.537 176.600 -0.086 0.000 0.882 529 E CA -0.333 56.032 56.400 -0.060 0.000 0.769 529 E CB 1.807 31.465 29.700 -0.071 0.000 1.185 529 E HN 0.155 nan 8.360 nan 0.000 0.415 530 E N 1.335 121.485 120.200 -0.085 0.000 2.498 530 E HA 0.003 4.353 4.350 0.001 0.000 0.203 530 E C 1.221 177.756 176.600 -0.108 0.000 1.013 530 E CA 0.132 56.480 56.400 -0.087 0.000 0.927 530 E CB 0.526 30.190 29.700 -0.059 0.000 1.012 530 E HN 0.475 nan 8.360 nan 0.000 0.482 531 K N 0.212 120.532 120.400 -0.133 0.000 2.283 531 K HA 0.020 4.341 4.320 0.001 0.000 0.202 531 K C 0.984 177.469 176.600 -0.193 0.000 1.048 531 K CA 0.520 56.720 56.287 -0.145 0.000 0.948 531 K CB -0.050 32.361 32.500 -0.148 0.000 0.742 531 K HN -0.195 nan 8.250 nan 0.000 0.458 532 V N 2.137 121.887 119.914 -0.274 0.000 2.834 532 V HA 0.080 4.201 4.120 0.001 0.000 0.301 532 V C 1.296 177.285 176.094 -0.175 0.000 1.066 532 V CA -0.232 61.869 62.300 -0.331 0.000 1.052 532 V CB 0.839 32.315 31.823 -0.577 0.000 1.021 532 V HN 0.524 nan 8.190 nan 0.000 0.480 533 L N 0.035 121.195 121.223 -0.106 0.000 2.462 533 L HA -0.311 4.029 4.340 0.001 0.000 0.444 533 L C 2.229 179.079 176.870 -0.033 0.000 0.704 533 L CA 1.893 56.703 54.840 -0.051 0.000 3.285 533 L CB -1.171 40.854 42.059 -0.056 0.000 0.573 533 L HN 0.854 nan 8.230 nan 0.000 0.787 534 R N 0.331 120.804 120.500 -0.045 0.000 2.051 534 R HA 0.065 4.405 4.340 0.001 0.000 0.225 534 R C 0.805 177.093 176.300 -0.021 0.000 1.155 534 R CA 1.500 57.581 56.100 -0.032 0.000 0.945 534 R CB -0.345 29.932 30.300 -0.037 0.000 0.840 534 R HN 0.302 nan 8.270 nan 0.000 0.432 535 N N 2.421 121.105 118.700 -0.028 0.000 2.714 535 N HA 0.036 4.776 4.740 0.001 0.000 0.298 535 N C -1.150 174.370 175.510 0.017 0.000 1.298 535 N CA -0.231 52.812 53.050 -0.011 0.000 1.007 535 N CB 0.221 38.695 38.487 -0.020 0.000 1.318 535 N HN 0.355 nan 8.380 nan 0.000 0.516 536 N N 0.168 118.893 118.700 0.041 0.000 2.431 536 N HA -0.008 4.732 4.740 0.001 0.000 0.265 536 N C -0.352 175.256 175.510 0.163 0.000 1.184 536 N CA 0.151 53.292 53.050 0.151 0.000 0.943 536 N CB 0.853 39.416 38.487 0.128 0.000 1.080 536 N HN 0.022 nan 8.380 nan 0.000 0.477 537 K N 2.266 122.834 120.400 0.279 0.000 2.535 537 K HA 0.124 4.444 4.320 0.001 0.000 0.242 537 K C -0.709 175.722 176.600 -0.282 0.000 1.210 537 K CA -0.561 55.761 56.287 0.059 0.000 1.178 537 K CB -0.355 32.210 32.500 0.108 0.000 1.778 537 K HN 0.518 nan 8.250 nan 0.000 0.372 538 N N 1.112 119.671 118.700 -0.234 0.000 2.681 538 N HA -0.165 4.575 4.740 0.001 0.000 0.265 538 N C -1.669 173.461 175.510 -0.634 0.000 1.157 538 N CA 0.870 53.710 53.050 -0.350 0.000 0.674 538 N CB -1.432 36.864 38.487 -0.319 0.000 0.887 538 N HN 0.293 nan 8.380 nan 0.000 0.557 539 F N -0.275 119.677 119.950 0.002 0.000 2.612 539 F HA 0.403 4.930 4.527 0.001 0.000 0.332 539 F C 0.290 176.109 175.800 0.031 0.000 1.167 539 F CA -0.637 57.383 58.000 0.034 0.000 0.970 539 F CB 1.525 40.485 39.000 -0.067 0.000 1.234 539 F HN -0.102 nan 8.300 nan 0.000 0.453 540 S N 1.313 117.151 115.700 0.229 0.000 2.525 540 S HA 0.421 4.891 4.470 0.001 0.000 0.278 540 S C 0.093 174.790 174.600 0.161 0.000 1.234 540 S CA -0.551 57.734 58.200 0.142 0.000 1.058 540 S CB 1.601 64.858 63.200 0.094 0.000 0.983 540 S HN 0.607 nan 8.310 nan 0.000 0.495 541 T N 2.087 116.692 114.554 0.085 0.000 2.909 541 T HA 0.490 4.841 4.350 0.001 0.000 0.289 541 T C 0.753 175.438 174.700 -0.024 0.000 1.005 541 T CA -0.571 61.562 62.100 0.055 0.000 1.084 541 T CB 0.472 69.349 68.868 0.015 0.000 0.975 541 T HN 0.300 nan 8.240 nan 0.000 0.509 542 V N 2.523 122.372 119.914 -0.108 0.000 3.430 542 V HA 0.430 4.550 4.120 0.001 0.000 0.211 542 V C 0.124 176.067 176.094 -0.252 0.000 1.173 542 V CA 0.011 62.145 62.300 -0.277 0.000 1.310 542 V CB 0.151 31.606 31.823 -0.614 0.000 1.361 542 V HN 0.823 nan 8.190 nan 0.000 0.512 543 D N -1.525 118.698 120.400 -0.294 0.000 2.602 543 D HA 0.583 5.223 4.640 0.001 0.000 0.236 543 D C -1.520 174.726 176.300 -0.090 0.000 1.209 543 D CA -0.367 53.550 54.000 -0.138 0.000 0.831 543 D CB 2.059 42.830 40.800 -0.048 0.000 1.478 543 D HN 0.225 nan 8.370 nan 0.000 0.438 544 I N 1.184 121.737 120.570 -0.028 0.000 2.530 544 I HA 0.464 4.635 4.170 0.001 0.000 0.297 544 I C -0.014 176.109 176.117 0.009 0.000 1.011 544 I CA -0.669 60.626 61.300 -0.009 0.000 1.107 544 I CB 1.956 39.955 38.000 -0.002 0.000 1.285 544 I HN 0.169 nan 8.210 nan 0.000 0.436 545 Q N 3.178 122.988 119.800 0.015 0.000 2.553 545 Q HA 0.409 4.749 4.340 0.001 0.000 0.293 545 Q C -0.010 176.004 176.000 0.023 0.000 1.038 545 Q CA -1.046 54.771 55.803 0.023 0.000 0.777 545 Q CB 2.401 31.159 28.738 0.032 0.000 1.487 545 Q HN 0.367 nan 8.270 nan 0.000 0.426 546 K N 0.750 121.163 120.400 0.022 0.000 2.360 546 K HA -0.128 4.192 4.320 0.001 0.000 0.201 546 K C 1.229 177.845 176.600 0.026 0.000 1.046 546 K CA 1.007 57.306 56.287 0.020 0.000 0.945 546 K CB -0.073 32.437 32.500 0.017 0.000 0.750 546 K HN 0.442 nan 8.250 nan 0.000 0.464 547 N N 0.282 119.002 118.700 0.033 0.000 2.062 547 N HA -0.098 4.643 4.740 0.001 0.000 0.191 547 N C 0.786 176.326 175.510 0.050 0.000 1.042 547 N CA 1.654 54.729 53.050 0.043 0.000 0.845 547 N CB 0.253 38.773 38.487 0.055 0.000 1.024 547 N HN 0.219 nan 8.380 nan 0.000 0.424 548 G N -1.848 106.984 108.800 0.052 0.000 2.325 548 G HA2 0.296 4.256 3.960 0.001 0.000 0.295 548 G HA3 0.296 4.256 3.960 0.001 0.000 0.295 548 G C -1.893 173.044 174.900 0.062 0.000 1.274 548 G CA -0.343 44.795 45.100 0.064 0.000 0.857 548 G HN 0.025 nan 8.290 nan 0.000 0.499 549 V N 1.150 121.126 119.914 0.103 0.000 2.383 549 V HA 0.425 4.545 4.120 0.001 0.000 0.275 549 V C 0.013 176.209 176.094 0.170 0.000 1.036 549 V CA -0.502 61.873 62.300 0.126 0.000 0.889 549 V CB 1.178 33.095 31.823 0.156 0.000 0.985 549 V HN 0.557 nan 8.190 nan 0.000 0.459 550 K N 6.204 126.605 120.400 0.003 0.000 2.253 550 K HA 0.633 4.953 4.320 0.001 0.000 0.277 550 K C -0.815 175.784 176.600 -0.002 0.000 1.053 550 K CA -0.109 56.068 56.287 -0.183 0.000 0.892 550 K CB 0.907 33.010 32.500 -0.662 0.000 1.102 550 K HN 0.648 nan 8.250 nan 0.000 0.469 551 F N -1.026 118.954 119.950 0.050 0.000 2.626 551 F HA 0.642 5.169 4.527 0.001 0.000 0.311 551 F C -0.623 175.388 175.800 0.352 0.000 1.088 551 F CA -0.955 57.123 58.000 0.131 0.000 0.949 551 F CB 1.648 40.719 39.000 0.117 0.000 1.322 551 F HN 0.392 nan 8.300 nan 0.000 0.461 552 T N -0.503 114.348 114.554 0.496 0.000 2.883 552 T HA 0.625 4.976 4.350 0.001 0.000 0.301 552 T C -1.288 173.683 174.700 0.451 0.000 1.158 552 T CA -0.958 61.441 62.100 0.499 0.000 1.007 552 T CB 1.827 70.847 68.868 0.253 0.000 1.186 552 T HN 0.983 nan 8.240 nan 0.000 0.499 553 N N 0.006 118.933 118.700 0.379 0.000 2.518 553 N HA 0.378 5.119 4.740 0.001 0.000 0.284 553 N C 0.849 176.401 175.510 0.070 0.000 1.230 553 N CA -0.968 52.137 53.050 0.092 0.000 0.941 553 N CB 0.590 39.020 38.487 -0.093 0.000 1.219 553 N HN 0.487 nan 8.380 nan 0.000 0.560 554 S N -0.475 115.217 115.700 -0.013 0.000 2.419 554 S HA -0.148 4.323 4.470 0.001 0.000 0.235 554 S C 1.365 175.980 174.600 0.025 0.000 1.019 554 S CA 1.177 59.380 58.200 0.005 0.000 0.982 554 S CB -0.294 62.891 63.200 -0.025 0.000 0.789 554 S HN 0.660 nan 8.310 nan 0.000 0.490 555 K N 1.166 121.583 120.400 0.028 0.000 2.288 555 K HA 0.170 4.491 4.320 0.001 0.000 0.201 555 K C 1.629 178.270 176.600 0.068 0.000 1.048 555 K CA 0.651 56.964 56.287 0.043 0.000 0.956 555 K CB -0.133 32.393 32.500 0.044 0.000 0.746 555 K HN 0.374 nan 8.250 nan 0.000 0.461 556 L N -0.723 120.561 121.223 0.101 0.000 2.445 556 L HA -0.007 4.333 4.340 0.001 0.000 0.207 556 L C 1.865 178.782 176.870 0.079 0.000 1.053 556 L CA 0.906 55.798 54.840 0.087 0.000 0.841 556 L CB -0.479 41.650 42.059 0.117 0.000 1.074 556 L HN 0.325 nan 8.230 nan 0.000 0.479 557 T N -1.707 112.902 114.554 0.091 0.000 2.620 557 T HA -0.299 4.051 4.350 0.001 0.000 0.267 557 T C 1.901 176.646 174.700 0.076 0.000 1.044 557 T CA 2.208 64.358 62.100 0.084 0.000 1.161 557 T CB -1.181 67.730 68.868 0.072 0.000 0.862 557 T HN 0.548 nan 8.240 nan 0.000 0.438 558 S N 1.700 117.437 115.700 0.063 0.000 2.414 558 S HA 0.100 4.570 4.470 0.001 0.000 0.227 558 S C 2.018 176.659 174.600 0.068 0.000 1.022 558 S CA 0.730 58.966 58.200 0.059 0.000 0.958 558 S CB -0.722 62.505 63.200 0.044 0.000 0.797 558 S HN 0.335 nan 8.310 nan 0.000 0.493 559 L N 2.724 123.986 121.223 0.065 0.000 2.201 559 L HA 0.093 4.433 4.340 0.001 0.000 0.212 559 L C 2.059 178.993 176.870 0.108 0.000 1.105 559 L CA 1.682 56.562 54.840 0.068 0.000 0.775 559 L CB -1.228 40.853 42.059 0.036 0.000 0.913 559 L HN 0.355 nan 8.230 nan 0.000 0.440 560 N N -0.060 118.706 118.700 0.109 0.000 2.171 560 N HA -0.177 4.563 4.740 0.001 0.000 0.184 560 N C 1.712 177.331 175.510 0.182 0.000 1.021 560 N CA 1.624 54.768 53.050 0.157 0.000 0.854 560 N CB -0.014 38.554 38.487 0.135 0.000 0.994 560 N HN 0.498 nan 8.380 nan 0.000 0.426 561 E N -0.144 120.135 120.200 0.132 0.000 2.208 561 E HA -0.136 4.214 4.350 0.001 0.000 0.193 561 E C 1.401 178.067 176.600 0.110 0.000 0.988 561 E CA 0.514 56.982 56.400 0.113 0.000 0.828 561 E CB -0.020 29.730 29.700 0.083 0.000 0.763 561 E HN 0.544 nan 8.360 nan 0.000 0.478 562 E N -0.212 120.057 120.200 0.115 0.000 2.285 562 E HA -0.161 4.189 4.350 0.001 0.000 0.194 562 E C 1.469 178.139 176.600 0.116 0.000 0.997 562 E CA 0.480 56.936 56.400 0.094 0.000 0.845 562 E CB 0.126 29.874 29.700 0.079 0.000 0.782 562 E HN 0.286 nan 8.360 nan 0.000 0.491 563 Y N 0.358 120.689 120.300 0.051 0.000 2.301 563 Y HA -0.096 4.455 4.550 0.001 0.000 0.295 563 Y C 2.528 178.467 175.900 0.064 0.000 1.119 563 Y CA 1.786 59.925 58.100 0.066 0.000 1.162 563 Y CB -0.089 38.445 38.460 0.123 0.000 1.046 563 Y HN 0.132 nan 8.280 nan 0.000 0.538 564 T N -2.092 112.611 114.554 0.250 0.000 2.915 564 T HA -0.130 4.220 4.350 0.001 0.000 0.269 564 T C 1.652 176.393 174.700 0.069 0.000 1.071 564 T CA 1.406 63.599 62.100 0.156 0.000 1.132 564 T CB -0.264 68.688 68.868 0.140 0.000 0.878 564 T HN 0.232 nan 8.240 nan 0.000 0.479 565 K N 0.937 121.369 120.400 0.053 0.000 2.217 565 K HA 0.072 4.393 4.320 0.001 0.000 0.202 565 K C 1.937 178.541 176.600 0.006 0.000 1.051 565 K CA 0.916 57.221 56.287 0.031 0.000 0.952 565 K CB -0.106 32.413 32.500 0.032 0.000 0.736 565 K HN 0.261 nan 8.250 nan 0.000 0.453 566 N N 1.051 119.729 118.700 -0.037 0.000 2.354 566 N HA -0.068 4.673 4.740 0.001 0.000 0.179 566 N C 1.194 176.672 175.510 -0.053 0.000 1.021 566 N CA 0.908 53.913 53.050 -0.073 0.000 0.887 566 N CB 0.128 38.505 38.487 -0.185 0.000 0.974 566 N HN 0.142 nan 8.380 nan 0.000 0.437 567 K N -0.079 120.284 120.400 -0.062 0.000 2.103 567 K HA -0.029 4.291 4.320 0.001 0.000 0.204 567 K C 1.827 178.463 176.600 0.060 0.000 1.052 567 K CA 1.526 57.808 56.287 -0.009 0.000 0.945 567 K CB -0.121 32.386 32.500 0.013 0.000 0.722 567 K HN 0.370 nan 8.250 nan 0.000 0.443 568 T N -1.198 113.383 114.554 0.045 0.000 2.951 568 T HA -0.038 4.313 4.350 0.001 0.000 0.268 568 T C 1.598 176.328 174.700 0.050 0.000 1.073 568 T CA 0.814 62.941 62.100 0.047 0.000 1.134 568 T CB 0.008 68.896 68.868 0.035 0.000 0.884 568 T HN 0.219 nan 8.240 nan 0.000 0.479 569 E N -0.455 119.777 120.200 0.054 0.000 2.170 569 E HA 0.047 4.398 4.350 0.001 0.000 0.191 569 E C 1.696 178.335 176.600 0.066 0.000 0.981 569 E CA 0.418 56.846 56.400 0.046 0.000 0.830 569 E CB -0.145 29.576 29.700 0.035 0.000 0.775 569 E HN 0.611 nan 8.360 nan 0.000 0.470 570 Y N 1.980 122.264 120.300 -0.027 0.000 2.220 570 Y HA -0.111 4.439 4.550 0.001 0.000 0.291 570 Y C 1.916 177.813 175.900 -0.005 0.000 1.129 570 Y CA 1.468 59.555 58.100 -0.021 0.000 1.161 570 Y CB 0.332 38.768 38.460 -0.039 0.000 0.997 570 Y HN -0.064 nan 8.280 nan 0.000 0.522 571 E N -0.110 120.193 120.200 0.173 0.000 2.208 571 E HA -0.182 4.168 4.350 0.001 0.000 0.193 571 E C 1.849 178.465 176.600 0.027 0.000 0.988 571 E CA 1.065 57.525 56.400 0.100 0.000 0.828 571 E CB -0.060 29.706 29.700 0.110 0.000 0.763 571 E HN 0.745 nan 8.360 nan 0.000 0.478 572 E N 0.552 120.762 120.200 0.017 0.000 2.358 572 E HA -0.019 4.331 4.350 0.001 0.000 0.195 572 E C 1.837 178.424 176.600 -0.021 0.000 1.010 572 E CA 0.725 57.127 56.400 0.003 0.000 0.856 572 E CB 0.102 29.808 29.700 0.009 0.000 0.795 572 E HN 0.119 nan 8.360 nan 0.000 0.504 573 A N 1.333 124.119 122.820 -0.057 0.000 1.903 573 A HA -0.084 4.237 4.320 0.001 0.000 0.213 573 A C 2.195 179.720 177.584 -0.098 0.000 1.185 573 A CA 0.907 52.890 52.037 -0.090 0.000 0.628 573 A CB -0.251 18.659 19.000 -0.151 0.000 0.830 573 A HN 0.191 nan 8.150 nan 0.000 0.446 574 Q N 0.144 119.864 119.800 -0.133 0.000 2.020 574 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 574 Q C 1.622 177.608 176.000 -0.023 0.000 0.982 574 Q CA 1.604 57.352 55.803 -0.093 0.000 0.838 574 Q CB -0.329 28.359 28.738 -0.084 0.000 0.899 574 Q HN 0.856 nan 8.270 nan 0.000 0.423 575 D N -0.081 120.316 120.400 -0.005 0.000 2.350 575 D HA -0.106 4.534 4.640 0.001 0.000 0.216 575 D C 1.358 177.666 176.300 0.013 0.000 0.968 575 D CA 1.129 55.136 54.000 0.012 0.000 0.894 575 D CB -0.097 40.714 40.800 0.018 0.000 0.909 575 D HN 0.207 nan 8.370 nan 0.000 0.520 576 A N 0.409 123.231 122.820 0.004 0.000 1.975 576 A HA 0.131 4.452 4.320 0.001 0.000 0.215 576 A C 2.363 179.959 177.584 0.020 0.000 1.170 576 A CA 0.505 52.548 52.037 0.010 0.000 0.656 576 A CB -0.443 18.558 19.000 0.001 0.000 0.821 576 A HN 0.266 nan 8.150 nan 0.000 0.449 577 I N -0.623 119.957 120.570 0.017 0.000 2.406 577 I HA -0.136 4.035 4.170 0.001 0.000 0.249 577 I C 2.253 178.395 176.117 0.042 0.000 1.122 577 I CA 0.599 61.919 61.300 0.034 0.000 1.431 577 I CB -0.293 37.727 38.000 0.034 0.000 1.087 577 I HN 0.102 nan 8.210 nan 0.000 0.424 578 V N 1.394 121.329 119.914 0.035 0.000 2.255 578 V HA -0.328 3.792 4.120 0.001 0.000 0.247 578 V C 2.467 178.602 176.094 0.067 0.000 1.051 578 V CA 1.996 64.325 62.300 0.048 0.000 1.018 578 V CB -0.722 31.125 31.823 0.040 0.000 0.641 578 V HN 0.393 nan 8.190 nan 0.000 0.445 579 K N -0.431 120.002 120.400 0.055 0.000 2.103 579 K HA -0.249 4.072 4.320 0.001 0.000 0.207 579 K C 2.222 178.869 176.600 0.078 0.000 1.048 579 K CA 1.797 58.121 56.287 0.062 0.000 0.930 579 K CB -0.166 32.360 32.500 0.043 0.000 0.716 579 K HN 0.561 nan 8.250 nan 0.000 0.444 580 E N 0.927 121.168 120.200 0.069 0.000 2.107 580 E HA -0.110 4.241 4.350 0.001 0.000 0.191 580 E C 1.890 178.546 176.600 0.094 0.000 0.982 580 E CA 0.617 57.061 56.400 0.073 0.000 0.809 580 E CB 0.110 29.847 29.700 0.062 0.000 0.756 580 E HN 0.237 nan 8.360 nan 0.000 0.459 581 I N 0.258 120.887 120.570 0.098 0.000 2.394 581 I HA -0.212 3.958 4.170 0.001 0.000 0.251 581 I C 2.197 178.420 176.117 0.176 0.000 1.136 581 I CA 0.445 61.814 61.300 0.115 0.000 1.425 581 I CB -0.002 38.044 38.000 0.077 0.000 1.079 581 I HN 0.064 nan 8.210 nan 0.000 0.425 582 V N 1.240 121.279 119.914 0.208 0.000 2.358 582 V HA -0.246 3.874 4.120 0.001 0.000 0.246 582 V C 2.080 178.329 176.094 0.257 0.000 1.047 582 V CA 1.854 64.358 62.300 0.341 0.000 1.035 582 V CB -0.744 31.248 31.823 0.283 0.000 0.658 582 V HN 0.442 nan 8.190 nan 0.000 0.452 583 N N 0.132 118.928 118.700 0.160 0.000 2.188 583 N HA -0.012 4.728 4.740 0.001 0.000 0.184 583 N C 1.704 177.264 175.510 0.084 0.000 1.018 583 N CA 1.295 54.410 53.050 0.108 0.000 0.858 583 N CB -0.297 38.236 38.487 0.076 0.000 0.989 583 N HN 0.420 nan 8.380 nan 0.000 0.426 584 I N 0.579 121.213 120.570 0.107 0.000 2.315 584 I HA -0.203 3.967 4.170 0.001 0.000 0.248 584 I C 1.890 178.124 176.117 0.194 0.000 1.117 584 I CA 1.022 62.400 61.300 0.131 0.000 1.404 584 I CB -0.258 37.841 38.000 0.166 0.000 1.071 584 I HN 0.160 nan 8.210 nan 0.000 0.419 585 S N -0.240 115.546 115.700 0.145 0.000 2.489 585 S HA -0.064 4.406 4.470 0.001 0.000 0.228 585 S C 1.833 176.322 174.600 -0.186 0.000 0.995 585 S CA 0.624 58.814 58.200 -0.017 0.000 0.934 585 S CB -0.428 62.611 63.200 -0.268 0.000 0.771 585 S HN 0.495 nan 8.310 nan 0.000 0.522 586 S N 0.450 116.110 115.700 -0.067 0.000 2.593 586 S HA 0.305 4.775 4.470 0.001 0.000 0.217 586 S C 1.541 176.120 174.600 -0.034 0.000 0.966 586 S CA 0.141 58.336 58.200 -0.008 0.000 0.914 586 S CB -0.272 62.997 63.200 0.114 0.000 0.776 586 S HN 0.570 nan 8.310 nan 0.000 0.523 587 G N -0.224 108.521 108.800 -0.091 0.000 2.838 587 G HA2 0.149 4.109 3.960 0.001 0.000 0.210 587 G HA3 0.149 4.109 3.960 0.001 0.000 0.210 587 G C 0.375 175.059 174.900 -0.360 0.000 1.153 587 G CA -0.147 44.816 45.100 -0.229 0.000 0.778 587 G HN 0.602 nan 8.290 nan 0.000 0.539 588 Y N 0.396 120.607 120.300 -0.149 0.000 2.625 588 Y HA 0.296 4.847 4.550 0.001 0.000 0.285 588 Y C 1.924 177.765 175.900 -0.099 0.000 1.168 588 Y CA -0.507 57.485 58.100 -0.180 0.000 1.250 588 Y CB 0.578 38.904 38.460 -0.223 0.000 1.130 588 Y HN 0.001 nan 8.280 nan 0.000 0.526 589 V N -0.265 119.659 119.914 0.018 0.000 2.358 589 V HA -0.237 3.883 4.120 0.001 0.000 0.246 589 V C 1.890 178.005 176.094 0.036 0.000 1.047 589 V CA 1.918 64.240 62.300 0.037 0.000 1.035 589 V CB -0.160 31.680 31.823 0.028 0.000 0.658 589 V HN 0.467 nan 8.190 nan 0.000 0.452 590 E N 0.527 120.726 120.200 -0.002 0.000 2.058 590 E HA -0.175 4.175 4.350 0.001 0.000 0.194 590 E C -0.371 176.240 176.600 0.018 0.000 0.997 590 E CA 1.713 58.110 56.400 -0.004 0.000 0.801 590 E CB -1.090 28.592 29.700 -0.031 0.000 0.746 590 E HN 0.565 nan 8.360 nan 0.000 0.450 591 P HA -0.093 nan 4.420 nan 0.000 0.230 591 P C 1.223 178.643 177.300 0.199 0.000 1.158 591 P CA 0.924 64.044 63.100 0.033 0.000 0.769 591 P CB 0.025 31.630 31.700 -0.160 0.000 0.807 592 M N -0.052 119.685 119.600 0.228 0.000 2.086 592 M HA -0.140 4.341 4.480 0.001 0.000 0.261 592 M C 2.172 178.542 176.300 0.117 0.000 1.067 592 M CA 1.851 57.277 55.300 0.209 0.000 1.116 592 M CB -1.314 31.366 32.600 0.133 0.000 1.348 592 M HN 0.105 nan 8.290 nan 0.000 0.407 593 Q N -0.575 119.275 119.800 0.083 0.000 2.230 593 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 593 Q C 1.984 178.020 176.000 0.061 0.000 0.963 593 Q CA 1.883 57.720 55.803 0.056 0.000 0.866 593 Q CB -0.295 28.464 28.738 0.036 0.000 0.931 593 Q HN 0.680 nan 8.270 nan 0.000 0.452 594 T N -0.388 114.210 114.554 0.073 0.000 2.777 594 T HA -0.122 4.229 4.350 0.001 0.000 0.266 594 T C 1.806 176.556 174.700 0.083 0.000 1.040 594 T CA 0.733 62.879 62.100 0.077 0.000 1.141 594 T CB -0.252 68.658 68.868 0.069 0.000 0.868 594 T HN 0.131 nan 8.240 nan 0.000 0.444 595 L N 2.205 123.485 121.223 0.095 0.000 2.093 595 L HA 0.082 4.422 4.340 0.001 0.000 0.208 595 L C 2.315 179.194 176.870 0.015 0.000 1.085 595 L CA 1.660 56.543 54.840 0.072 0.000 0.755 595 L CB -1.192 40.934 42.059 0.111 0.000 0.904 595 L HN 0.403 nan 8.230 nan 0.000 0.435 596 N N -0.720 117.993 118.700 0.022 0.000 2.120 596 N HA -0.212 4.528 4.740 0.001 0.000 0.188 596 N C 1.190 176.693 175.510 -0.012 0.000 1.024 596 N CA 1.580 54.626 53.050 -0.006 0.000 0.852 596 N CB 0.004 38.498 38.487 0.011 0.000 1.003 596 N HN 0.409 nan 8.380 nan 0.000 0.424 597 D N 0.185 120.600 120.400 0.024 0.000 2.219 597 D HA -0.060 4.581 4.640 0.001 0.000 0.205 597 D C 2.017 178.347 176.300 0.050 0.000 0.970 597 D CA 0.463 54.487 54.000 0.041 0.000 0.851 597 D CB 0.113 40.961 40.800 0.081 0.000 0.943 597 D HN 0.149 nan 8.370 nan 0.000 0.488 598 V N 0.822 120.770 119.914 0.056 0.000 2.302 598 V HA -0.125 3.996 4.120 0.001 0.000 0.243 598 V C 2.661 178.745 176.094 -0.016 0.000 1.036 598 V CA 0.767 63.110 62.300 0.071 0.000 1.020 598 V CB -0.369 31.526 31.823 0.120 0.000 0.657 598 V HN 0.141 nan 8.190 nan 0.000 0.453 599 L N 0.314 121.486 121.223 -0.086 0.000 2.042 599 L HA -0.215 4.125 4.340 0.001 0.000 0.210 599 L C 2.742 179.508 176.870 -0.172 0.000 1.076 599 L CA 1.714 56.438 54.840 -0.193 0.000 0.749 599 L CB -0.767 41.105 42.059 -0.312 0.000 0.893 599 L HN 0.387 nan 8.230 nan 0.000 0.432 600 A N -0.586 122.152 122.820 -0.136 0.000 1.877 600 A HA -0.265 4.056 4.320 0.001 0.000 0.216 600 A C 2.199 179.673 177.584 -0.184 0.000 1.186 600 A CA 1.672 53.609 52.037 -0.167 0.000 0.620 600 A CB -0.510 18.399 19.000 -0.152 0.000 0.822 600 A HN 0.483 nan 8.150 nan 0.000 0.443 601 Q N -0.923 118.825 119.800 -0.087 0.000 2.167 601 Q HA -0.047 4.294 4.340 0.001 0.000 0.202 601 Q C 2.113 178.134 176.000 0.035 0.000 0.970 601 Q CA 1.135 56.961 55.803 0.038 0.000 0.855 601 Q CB -0.223 28.599 28.738 0.140 0.000 0.911 601 Q HN 0.730 nan 8.270 nan 0.000 0.438 602 L N 0.568 121.764 121.223 -0.045 0.000 2.005 602 L HA -0.202 4.139 4.340 0.001 0.000 0.207 602 L C 2.074 178.849 176.870 -0.159 0.000 1.072 602 L CA 1.526 56.325 54.840 -0.067 0.000 0.744 602 L CB -0.159 41.849 42.059 -0.084 0.000 0.895 602 L HN 0.191 nan 8.230 nan 0.000 0.433 603 D N -0.203 120.080 120.400 -0.195 0.000 2.117 603 D HA -0.191 4.449 4.640 0.001 0.000 0.197 603 D C 2.084 178.227 176.300 -0.262 0.000 0.987 603 D CA 1.410 55.267 54.000 -0.239 0.000 0.829 603 D CB 0.123 40.788 40.800 -0.224 0.000 0.961 603 D HN 0.410 nan 8.370 nan 0.000 0.460 604 A N -0.127 122.540 122.820 -0.255 0.000 1.933 604 A HA -0.112 4.209 4.320 0.001 0.000 0.218 604 A C 2.561 180.038 177.584 -0.177 0.000 1.175 604 A CA 1.596 53.435 52.037 -0.331 0.000 0.628 604 A CB -0.728 17.972 19.000 -0.500 0.000 0.814 604 A HN 0.216 nan 8.150 nan 0.000 0.444 605 V N -0.524 119.443 119.914 0.087 0.000 2.453 605 V HA -0.185 3.936 4.120 0.001 0.000 0.247 605 V C 2.549 178.654 176.094 0.017 0.000 1.048 605 V CA 1.767 64.228 62.300 0.269 0.000 1.049 605 V CB -0.531 31.463 31.823 0.285 0.000 0.672 605 V HN 0.368 nan 8.190 nan 0.000 0.457 606 V N 1.122 120.855 119.914 -0.301 0.000 2.407 606 V HA -0.235 3.885 4.120 0.001 0.000 0.248 606 V C 2.700 178.655 176.094 -0.232 0.000 1.055 606 V CA 2.262 64.287 62.300 -0.458 0.000 1.049 606 V CB -0.785 30.702 31.823 -0.561 0.000 0.662 606 V HN 0.779 nan 8.190 nan 0.000 0.455 607 S N 0.034 115.581 115.700 -0.255 0.000 2.368 607 S HA -0.188 4.283 4.470 0.001 0.000 0.225 607 S C 1.901 176.406 174.600 -0.159 0.000 1.030 607 S CA 1.389 59.445 58.200 -0.239 0.000 0.999 607 S CB -0.783 62.201 63.200 -0.360 0.000 0.844 607 S HN 0.433 nan 8.310 nan 0.000 0.459 608 F N 2.774 122.699 119.950 -0.041 0.000 2.161 608 F HA 0.107 4.634 4.527 0.001 0.000 0.300 608 F C 2.868 178.587 175.800 -0.135 0.000 1.089 608 F CA 0.422 58.395 58.000 -0.047 0.000 1.282 608 F CB -1.108 37.920 39.000 0.046 0.000 1.010 608 F HN 0.334 nan 8.300 nan 0.000 0.485 609 A N -1.103 121.755 122.820 0.064 0.000 1.968 609 A HA -0.218 4.102 4.320 0.001 0.000 0.217 609 A C 1.984 179.510 177.584 -0.098 0.000 1.169 609 A CA 1.799 53.792 52.037 -0.074 0.000 0.638 609 A CB -1.104 17.910 19.000 0.023 0.000 0.812 609 A HN 0.507 nan 8.150 nan 0.000 0.446 610 H N -0.441 118.539 119.070 -0.149 0.000 2.363 610 H HA -0.035 4.522 4.556 0.001 0.000 0.301 610 H C 1.779 177.000 175.328 -0.179 0.000 1.074 610 H CA 1.832 57.788 56.048 -0.153 0.000 1.354 610 H CB -0.158 29.513 29.762 -0.152 0.000 1.397 610 H HN 0.099 nan 8.280 nan 0.000 0.516 611 V N 0.610 120.376 119.914 -0.248 0.000 2.287 611 V HA -0.309 3.811 4.120 0.001 0.000 0.248 611 V C 2.702 178.465 176.094 -0.551 0.000 1.053 611 V CA 1.993 64.076 62.300 -0.361 0.000 1.027 611 V CB -0.928 30.742 31.823 -0.255 0.000 0.646 611 V HN 0.744 nan 8.190 nan 0.000 0.447 612 S N 1.300 116.648 115.700 -0.587 0.000 2.359 612 S HA -0.277 4.194 4.470 0.001 0.000 0.223 612 S C 1.733 176.151 174.600 -0.304 0.000 1.039 612 S CA 2.019 59.843 58.200 -0.626 0.000 1.042 612 S CB -0.771 62.185 63.200 -0.407 0.000 0.915 612 S HN 0.608 nan 8.310 nan 0.000 0.439 613 N N 2.108 120.646 118.700 -0.270 0.000 2.331 613 N HA 0.113 4.853 4.740 0.001 0.000 0.180 613 N C 1.697 177.080 175.510 -0.213 0.000 1.019 613 N CA 1.087 54.024 53.050 -0.188 0.000 0.881 613 N CB -0.892 37.500 38.487 -0.159 0.000 0.972 613 N HN 0.624 nan 8.380 nan 0.000 0.435 614 G N -0.963 107.627 108.800 -0.351 0.000 2.744 614 G HA2 0.272 4.232 3.960 0.001 0.000 0.211 614 G HA3 0.272 4.232 3.960 0.001 0.000 0.211 614 G C 0.278 175.071 174.900 -0.177 0.000 1.143 614 G CA 0.472 45.371 45.100 -0.335 0.000 0.788 614 G HN 0.433 nan 8.290 nan 0.000 0.534 615 A N 0.407 123.152 122.820 -0.125 0.000 2.330 615 A HA 0.785 5.105 4.320 0.001 0.000 0.329 615 A C -2.489 175.121 177.584 0.043 0.000 1.135 615 A CA -1.623 50.414 52.037 0.001 0.000 0.817 615 A CB 1.345 20.425 19.000 0.132 0.000 1.269 615 A HN 0.064 nan 8.150 nan 0.000 0.469 616 P HA 0.275 nan 4.420 nan 0.000 0.271 616 P C -0.317 177.019 177.300 0.061 0.000 1.216 616 P CA 0.407 63.532 63.100 0.042 0.000 0.771 616 P CB 0.649 32.370 31.700 0.034 0.000 0.864 617 V N 2.456 122.401 119.914 0.050 0.000 5.169 617 V HA -0.184 3.936 4.120 0.001 0.000 0.354 617 V C -2.099 174.057 176.094 0.103 0.000 0.683 617 V CA -0.401 61.931 62.300 0.054 0.000 1.377 617 V CB -2.079 29.762 31.823 0.031 0.000 1.647 617 V HN 0.678 nan 8.190 nan 0.000 0.461 618 P HA -0.014 nan 4.420 nan 0.000 0.261 618 P C 0.198 177.659 177.300 0.268 0.000 1.165 618 P CA 0.445 63.642 63.100 0.162 0.000 0.759 618 P CB 0.276 32.018 31.700 0.070 0.000 0.772 619 Y N 0.842 121.168 120.300 0.044 0.000 2.702 619 Y HA 0.110 4.660 4.550 0.001 0.000 0.336 619 Y C 1.139 177.224 175.900 0.307 0.000 1.235 619 Y CA -0.682 57.496 58.100 0.131 0.000 1.492 619 Y CB 0.337 38.889 38.460 0.153 0.000 1.308 619 Y HN 0.075 nan 8.280 nan 0.000 0.589 620 V N 4.418 124.529 119.914 0.328 0.000 2.547 620 V HA 0.299 4.419 4.120 0.001 0.000 0.299 620 V C -0.200 175.860 176.094 -0.056 0.000 1.040 620 V CA -1.291 61.152 62.300 0.238 0.000 0.913 620 V CB 1.644 33.516 31.823 0.082 0.000 0.992 620 V HN 0.744 nan 8.190 nan 0.000 0.449 621 R N 4.668 124.878 120.500 -0.483 0.000 2.484 621 R HA 0.284 4.625 4.340 0.001 0.000 0.293 621 R C -2.534 173.520 176.300 -0.410 0.000 1.023 621 R CA -0.966 54.589 56.100 -0.908 0.000 1.037 621 R CB -0.076 29.572 30.300 -1.087 0.000 0.951 621 R HN 0.423 nan 8.270 nan 0.000 0.418 622 P HA 0.127 nan 4.420 nan 0.000 0.280 622 P C -0.848 176.331 177.300 -0.202 0.000 1.244 622 P CA -0.447 62.517 63.100 -0.227 0.000 0.784 622 P CB 1.471 33.047 31.700 -0.206 0.000 0.913 623 A N 4.519 127.248 122.820 -0.152 0.000 2.409 623 A HA 0.448 4.769 4.320 0.001 0.000 0.262 623 A C 0.260 177.771 177.584 -0.121 0.000 1.113 623 A CA -0.514 51.448 52.037 -0.124 0.000 0.790 623 A CB -0.332 18.612 19.000 -0.095 0.000 1.046 623 A HN 0.522 nan 8.150 nan 0.000 0.496 624 I N 3.102 123.604 120.570 -0.113 0.000 2.377 624 I HA 0.343 4.514 4.170 0.001 0.000 0.293 624 I C -0.279 175.788 176.117 -0.083 0.000 0.987 624 I CA -0.191 61.044 61.300 -0.108 0.000 1.185 624 I CB 1.335 39.266 38.000 -0.116 0.000 1.341 624 I HN 0.548 nan 8.210 nan 0.000 0.455 625 L N 4.309 125.486 121.223 -0.077 0.000 2.298 625 L HA 0.491 4.832 4.340 0.001 0.000 0.268 625 L C 0.393 177.234 176.870 -0.049 0.000 1.010 625 L CA -1.153 53.654 54.840 -0.055 0.000 0.812 625 L CB 0.781 42.814 42.059 -0.043 0.000 1.331 625 L HN 0.461 nan 8.230 nan 0.000 0.450 626 E N 0.857 121.037 120.200 -0.034 0.000 2.438 626 E HA -0.065 4.285 4.350 0.001 0.000 0.261 626 E C -0.346 176.240 176.600 -0.024 0.000 1.103 626 E CA 0.119 56.502 56.400 -0.030 0.000 0.959 626 E CB 0.390 30.077 29.700 -0.021 0.000 0.958 626 E HN 0.297 nan 8.360 nan 0.000 0.447 627 K N 0.702 121.085 120.400 -0.029 0.000 2.245 627 K HA 0.096 4.416 4.320 0.001 0.000 0.281 627 K C 0.312 176.911 176.600 -0.001 0.000 1.079 627 K CA 0.795 57.068 56.287 -0.024 0.000 1.000 627 K CB -0.709 31.768 32.500 -0.038 0.000 1.038 627 K HN 0.703 nan 8.250 nan 0.000 0.430 628 G N 3.230 112.050 108.800 0.033 0.000 2.204 628 G HA2 -0.263 3.698 3.960 0.001 0.000 0.244 628 G HA3 -0.263 3.698 3.960 0.001 0.000 0.244 628 G C 0.364 175.292 174.900 0.048 0.000 1.062 628 G CA 0.401 45.537 45.100 0.060 0.000 0.798 628 G HN 0.737 nan 8.290 nan 0.000 0.496 629 Q N -0.131 119.707 119.800 0.063 0.000 2.123 629 Q HA 0.378 4.719 4.340 0.001 0.000 0.196 629 Q C 1.614 177.661 176.000 0.079 0.000 0.958 629 Q CA 1.656 57.487 55.803 0.046 0.000 0.841 629 Q CB 0.027 28.782 28.738 0.028 0.000 0.915 629 Q HN 1.918 nan 8.270 nan 0.000 0.455 630 G N 0.977 109.892 108.800 0.192 0.000 3.035 630 G HA2 -0.174 3.787 3.960 0.001 0.000 0.214 630 G HA3 -0.174 3.787 3.960 0.001 0.000 0.214 630 G C -0.760 174.309 174.900 0.281 0.000 1.063 630 G CA 0.024 45.301 45.100 0.296 0.000 1.109 630 G HN 0.256 nan 8.290 nan 0.000 0.563 631 R N 0.534 121.176 120.500 0.237 0.000 2.745 631 R HA 0.494 4.835 4.340 0.001 0.000 0.290 631 R C -0.903 175.378 176.300 -0.033 0.000 1.260 631 R CA -0.877 55.282 56.100 0.099 0.000 1.045 631 R CB 0.714 31.028 30.300 0.022 0.000 1.257 631 R HN 0.276 nan 8.270 nan 0.000 0.400 632 I N 6.853 127.415 120.570 -0.013 0.000 2.502 632 I HA 0.339 4.510 4.170 0.001 0.000 0.276 632 I C -0.324 175.792 176.117 -0.002 0.000 1.057 632 I CA -0.531 60.706 61.300 -0.106 0.000 1.163 632 I CB 1.424 39.221 38.000 -0.337 0.000 1.288 632 I HN 0.442 nan 8.210 nan 0.000 0.479 633 I N 6.986 127.510 120.570 -0.077 0.000 2.306 633 I HA 0.358 4.529 4.170 0.001 0.000 0.288 633 I C -0.484 175.608 176.117 -0.042 0.000 1.036 633 I CA -0.343 60.907 61.300 -0.084 0.000 1.221 633 I CB 0.870 38.800 38.000 -0.116 0.000 1.385 633 I HN 0.358 nan 8.210 nan 0.000 0.472 634 L N 7.200 128.425 121.223 0.002 0.000 2.345 634 L HA 0.484 4.825 4.340 0.001 0.000 0.274 634 L C -0.238 176.654 176.870 0.036 0.000 0.999 634 L CA -0.561 54.280 54.840 0.001 0.000 0.849 634 L CB 1.463 43.520 42.059 -0.003 0.000 1.220 634 L HN 0.522 nan 8.230 nan 0.000 0.422 635 K N 3.178 123.590 120.400 0.021 0.000 2.185 635 K HA 0.646 4.967 4.320 0.001 0.000 0.269 635 K C 0.470 177.087 176.600 0.027 0.000 0.987 635 K CA -0.076 56.233 56.287 0.036 0.000 0.865 635 K CB 1.435 33.953 32.500 0.030 0.000 1.090 635 K HN 0.701 nan 8.250 nan 0.000 0.450 636 A N 2.481 125.328 122.820 0.045 0.000 2.519 636 A HA -0.152 4.169 4.320 0.001 0.000 0.297 636 A C 0.016 177.623 177.584 0.038 0.000 1.472 636 A CA 0.951 53.017 52.037 0.048 0.000 0.739 636 A CB -2.405 16.615 19.000 0.032 0.000 1.096 636 A HN 0.805 nan 8.150 nan 0.000 0.414 637 S N -0.149 115.592 115.700 0.068 0.000 2.617 637 S HA 0.837 5.307 4.470 0.001 0.000 0.269 637 S C 0.106 174.743 174.600 0.060 0.000 1.292 637 S CA -0.354 57.864 58.200 0.029 0.000 1.010 637 S CB 1.487 64.719 63.200 0.054 0.000 0.944 637 S HN 0.816 nan 8.310 nan 0.000 0.536 638 R N 0.107 120.522 120.500 -0.141 0.000 2.698 638 R HA 0.315 4.655 4.340 0.001 0.000 0.275 638 R C -1.121 174.885 176.300 -0.489 0.000 1.001 638 R CA -0.759 55.050 56.100 -0.486 0.000 0.896 638 R CB 1.152 31.062 30.300 -0.651 0.000 1.218 638 R HN 0.800 nan 8.270 nan 0.000 0.462 639 H N 2.052 120.674 119.070 -0.746 0.000 3.015 639 H HA 0.104 4.661 4.556 0.001 0.000 0.268 639 H C 0.824 175.937 175.328 -0.360 0.000 1.113 639 H CA 0.422 56.263 56.048 -0.345 0.000 1.479 639 H CB 1.180 30.870 29.762 -0.119 0.000 1.493 639 H HN 0.871 nan 8.280 nan 0.000 0.486 640 A N 4.003 126.634 122.820 -0.316 0.000 2.054 640 A HA -0.240 4.080 4.320 0.001 0.000 0.223 640 A C 2.248 179.841 177.584 0.014 0.000 1.169 640 A CA 2.021 53.977 52.037 -0.136 0.000 0.655 640 A CB -0.558 18.397 19.000 -0.075 0.000 0.812 640 A HN 0.778 nan 8.150 nan 0.000 0.462 641 C N -2.828 116.568 119.300 0.161 0.000 2.535 641 C HA 0.175 4.635 4.460 0.001 0.000 0.310 641 C C 2.552 177.621 174.990 0.130 0.000 1.344 641 C CA 0.476 59.602 59.018 0.180 0.000 1.831 641 C CB -0.597 27.274 27.740 0.220 0.000 2.284 641 C HN 0.411 nan 8.230 nan 0.000 0.523 642 V N 1.663 121.669 119.914 0.153 0.000 2.453 642 V HA -0.196 3.924 4.120 0.001 0.000 0.247 642 V C 2.526 178.657 176.094 0.062 0.000 1.048 642 V CA 2.120 64.423 62.300 0.006 0.000 1.049 642 V CB -0.803 30.968 31.823 -0.086 0.000 0.672 642 V HN 0.635 nan 8.190 nan 0.000 0.457 643 E N 0.337 120.500 120.200 -0.061 0.000 2.147 643 E HA -0.234 4.116 4.350 0.001 0.000 0.199 643 E C 2.026 178.634 176.600 0.014 0.000 1.005 643 E CA 2.026 58.361 56.400 -0.108 0.000 0.810 643 E CB 0.023 29.523 29.700 -0.332 0.000 0.736 643 E HN 0.491 nan 8.360 nan 0.000 0.460 644 V N 0.781 120.703 119.914 0.012 0.000 2.599 644 V HA -0.096 4.025 4.120 0.001 0.000 0.245 644 V C 1.479 177.586 176.094 0.022 0.000 1.046 644 V CA 0.651 62.964 62.300 0.020 0.000 1.065 644 V CB -0.372 31.462 31.823 0.017 0.000 0.703 644 V HN 0.323 nan 8.190 nan 0.000 0.464 645 Q N 1.100 120.913 119.800 0.022 0.000 2.348 645 Q HA -0.128 4.213 4.340 0.001 0.000 0.331 645 Q C 0.870 176.878 176.000 0.013 0.000 1.099 645 Q CA 1.058 56.869 55.803 0.014 0.000 1.021 645 Q CB 0.113 28.855 28.738 0.005 0.000 1.166 645 Q HN 0.529 nan 8.270 nan 0.000 0.393 646 D N 2.316 122.721 120.400 0.008 0.000 3.771 646 D HA -0.299 4.341 4.640 0.001 0.000 0.145 646 D C -0.356 175.950 176.300 0.010 0.000 0.892 646 D CA 2.376 56.380 54.000 0.006 0.000 1.080 646 D CB -0.599 40.203 40.800 0.002 0.000 0.498 646 D HN 0.853 nan 8.370 nan 0.000 0.499 647 E N -0.803 119.404 120.200 0.010 0.000 2.759 647 E HA 0.300 4.651 4.350 0.001 0.000 0.220 647 E C -0.289 176.320 176.600 0.016 0.000 0.974 647 E CA -0.196 56.212 56.400 0.014 0.000 1.148 647 E CB 0.568 30.275 29.700 0.011 0.000 1.059 647 E HN 0.347 nan 8.360 nan 0.000 0.493 648 I N 2.438 123.015 120.570 0.012 0.000 2.752 648 I HA -0.077 4.093 4.170 0.001 0.000 0.286 648 I C 0.577 176.711 176.117 0.028 0.000 1.180 648 I CA 0.136 61.436 61.300 0.001 0.000 1.404 648 I CB 0.341 38.328 38.000 -0.021 0.000 1.389 648 I HN 0.047 nan 8.210 nan 0.000 0.549 649 A N 8.143 130.972 122.820 0.016 0.000 2.539 649 A HA 0.241 4.562 4.320 0.001 0.000 0.306 649 A C -0.252 177.351 177.584 0.032 0.000 1.392 649 A CA -0.355 51.707 52.037 0.041 0.000 1.060 649 A CB -0.397 18.622 19.000 0.031 0.000 1.134 649 A HN 0.606 nan 8.150 nan 0.000 0.542 650 F N 3.164 123.080 119.950 -0.057 0.000 2.578 650 F HA 0.269 4.797 4.527 0.001 0.000 0.381 650 F C 0.328 176.104 175.800 -0.040 0.000 1.069 650 F CA 0.150 58.103 58.000 -0.077 0.000 1.231 650 F CB 0.353 39.319 39.000 -0.057 0.000 1.086 650 F HN 0.466 nan 8.300 nan 0.000 0.564 651 I N 8.564 128.925 120.570 -0.347 0.000 2.304 651 I HA 0.243 4.414 4.170 0.001 0.000 0.291 651 I C -2.194 173.890 176.117 -0.055 0.000 1.018 651 I CA -2.131 59.093 61.300 -0.127 0.000 1.260 651 I CB 0.794 38.734 38.000 -0.100 0.000 1.390 651 I HN 0.407 nan 8.210 nan 0.000 0.475 652 P HA 0.157 nan 4.420 nan 0.000 0.271 652 P C -1.020 176.346 177.300 0.111 0.000 1.216 652 P CA -0.104 63.120 63.100 0.207 0.000 0.776 652 P CB 0.537 32.318 31.700 0.135 0.000 0.881 653 N N 1.272 120.067 118.700 0.157 0.000 2.312 653 N HA 0.371 5.112 4.740 0.001 0.000 0.296 653 N C -1.167 174.426 175.510 0.138 0.000 1.193 653 N CA -0.554 52.547 53.050 0.085 0.000 0.773 653 N CB 1.014 39.522 38.487 0.034 0.000 1.435 653 N HN 0.240 nan 8.380 nan 0.000 0.484 654 D N 0.214 120.670 120.400 0.094 0.000 2.256 654 D HA 0.371 5.012 4.640 0.001 0.000 0.240 654 D C -0.565 175.859 176.300 0.207 0.000 1.062 654 D CA -0.182 53.894 54.000 0.126 0.000 0.832 654 D CB 1.622 42.468 40.800 0.076 0.000 1.135 654 D HN 0.021 nan 8.370 nan 0.000 0.484 655 V N 3.133 123.163 119.914 0.193 0.000 2.435 655 V HA 0.348 4.468 4.120 0.001 0.000 0.290 655 V C -0.815 175.361 176.094 0.136 0.000 1.030 655 V CA -0.851 61.541 62.300 0.152 0.000 0.881 655 V CB 1.248 33.131 31.823 0.100 0.000 0.983 655 V HN 0.439 nan 8.190 nan 0.000 0.445 656 Y N 4.681 124.904 120.300 -0.127 0.000 2.391 656 Y HA 0.745 5.296 4.550 0.001 0.000 0.341 656 Y C -1.375 174.416 175.900 -0.181 0.000 0.965 656 Y CA -0.982 57.081 58.100 -0.061 0.000 1.067 656 Y CB 1.866 40.309 38.460 -0.028 0.000 1.199 656 Y HN 0.557 nan 8.280 nan 0.000 0.450 657 F N 4.270 124.183 119.950 -0.062 0.000 2.689 657 F HA 0.423 4.950 4.527 0.001 0.000 0.332 657 F C -0.616 175.182 175.800 -0.003 0.000 1.209 657 F CA -0.638 57.451 58.000 0.148 0.000 1.028 657 F CB 1.768 40.882 39.000 0.191 0.000 1.291 657 F HN 0.443 nan 8.300 nan 0.000 0.500 658 E N 1.854 122.218 120.200 0.272 0.000 2.433 658 E HA 0.352 4.702 4.350 0.001 0.000 0.278 658 E C -1.224 175.487 176.600 0.184 0.000 0.976 658 E CA -1.345 55.160 56.400 0.176 0.000 0.793 658 E CB 2.571 32.328 29.700 0.095 0.000 1.311 658 E HN 0.394 nan 8.360 nan 0.000 0.460 659 K N 1.847 122.318 120.400 0.118 0.000 2.472 659 K HA -0.037 4.284 4.320 0.001 0.000 0.280 659 K C -0.416 176.226 176.600 0.070 0.000 1.028 659 K CA 0.467 56.795 56.287 0.069 0.000 1.045 659 K CB 0.138 32.663 32.500 0.041 0.000 0.902 659 K HN 0.494 nan 8.250 nan 0.000 0.478 660 D N 1.047 121.475 120.400 0.046 0.000 2.527 660 D HA -0.234 4.406 4.640 0.001 0.000 0.160 660 D C 0.899 177.229 176.300 0.049 0.000 1.646 660 D CA 1.900 55.920 54.000 0.035 0.000 1.652 660 D CB -0.534 40.280 40.800 0.023 0.000 1.337 660 D HN 0.454 nan 8.370 nan 0.000 0.432 661 K N 0.191 120.646 120.400 0.092 0.000 1.979 661 K HA 0.089 4.410 4.320 0.001 0.000 0.213 661 K C 0.773 177.420 176.600 0.078 0.000 1.036 661 K CA 1.265 57.612 56.287 0.101 0.000 0.954 661 K CB 0.076 32.690 32.500 0.190 0.000 0.743 661 K HN 0.185 nan 8.250 nan 0.000 0.443 662 Q N -0.361 119.531 119.800 0.153 0.000 2.330 662 Q HA 0.308 4.649 4.340 0.001 0.000 0.269 662 Q C 0.087 176.124 176.000 0.062 0.000 1.022 662 Q CA -0.114 55.713 55.803 0.039 0.000 0.796 662 Q CB 2.123 30.964 28.738 0.173 0.000 1.271 662 Q HN 0.212 nan 8.270 nan 0.000 0.450 663 M N 0.612 120.176 119.600 -0.060 0.000 2.049 663 M HA 0.251 4.731 4.480 0.001 0.000 0.223 663 M C -0.408 176.005 176.300 0.190 0.000 1.356 663 M CA 0.368 55.770 55.300 0.171 0.000 1.017 663 M CB 0.666 33.347 32.600 0.135 0.000 1.639 663 M HN 0.526 nan 8.290 nan 0.000 0.583 664 F N 3.078 122.953 119.950 -0.124 0.000 2.347 664 F HA 0.357 4.884 4.527 0.001 0.000 0.366 664 F C -0.308 175.405 175.800 -0.146 0.000 1.107 664 F CA -0.552 57.436 58.000 -0.020 0.000 1.058 664 F CB 0.551 39.545 39.000 -0.010 0.000 1.236 664 F HN 0.071 nan 8.300 nan 0.000 0.456 665 H N 7.944 127.085 119.070 0.119 0.000 2.641 665 H HA 0.329 4.886 4.556 0.001 0.000 0.295 665 H C -0.114 175.340 175.328 0.210 0.000 1.070 665 H CA -0.338 55.798 56.048 0.148 0.000 1.257 665 H CB 1.278 31.069 29.762 0.048 0.000 1.393 665 H HN 0.529 nan 8.280 nan 0.000 0.464 666 I N 5.677 126.472 120.570 0.375 0.000 2.322 666 I HA 0.130 4.300 4.170 0.001 0.000 0.292 666 I C 0.338 176.573 176.117 0.198 0.000 1.060 666 I CA -0.121 61.366 61.300 0.312 0.000 1.309 666 I CB 0.490 38.672 38.000 0.304 0.000 1.415 666 I HN 0.347 nan 8.210 nan 0.000 0.492 667 I N 6.512 127.160 120.570 0.130 0.000 2.354 667 I HA 0.261 4.432 4.170 0.001 0.000 0.286 667 I C 0.251 176.415 176.117 0.079 0.000 1.007 667 I CA -0.249 61.126 61.300 0.125 0.000 1.167 667 I CB 1.221 39.314 38.000 0.155 0.000 1.320 667 I HN 0.495 nan 8.210 nan 0.000 0.458 668 T N 3.723 118.344 114.554 0.112 0.000 2.897 668 T HA 0.852 5.203 4.350 0.001 0.000 0.278 668 T C 0.311 175.085 174.700 0.124 0.000 0.981 668 T CA -0.657 61.505 62.100 0.103 0.000 0.973 668 T CB 1.945 70.880 68.868 0.112 0.000 1.092 668 T HN 0.921 nan 8.240 nan 0.000 0.543 669 G N 0.901 109.771 108.800 0.117 0.000 2.339 669 G HA2 0.435 4.395 3.960 0.001 0.000 0.302 669 G HA3 0.435 4.395 3.960 0.001 0.000 0.302 669 G C -3.389 171.566 174.900 0.093 0.000 1.425 669 G CA -1.044 44.125 45.100 0.115 0.000 0.899 669 G HN 0.615 nan 8.290 nan 0.000 0.619 670 P HA 0.218 nan 4.420 nan 0.000 0.281 670 P C -0.151 177.135 177.300 -0.024 0.000 1.249 670 P CA -0.684 62.427 63.100 0.018 0.000 0.810 670 P CB 0.945 32.555 31.700 -0.149 0.000 1.008 671 N N 2.611 121.307 118.700 -0.006 0.000 2.357 671 N HA -0.058 4.682 4.740 0.001 0.000 0.257 671 N C 0.578 176.074 175.510 -0.024 0.000 1.250 671 N CA 0.387 53.432 53.050 -0.008 0.000 0.862 671 N CB -0.063 38.423 38.487 -0.003 0.000 1.066 671 N HN 0.456 nan 8.380 nan 0.000 0.468 672 M N 1.501 121.099 119.600 -0.002 0.000 2.537 672 M HA -0.210 4.271 4.480 0.001 0.000 0.205 672 M C 0.939 177.248 176.300 0.015 0.000 0.450 672 M CA 0.678 55.989 55.300 0.018 0.000 0.553 672 M CB -1.727 30.886 32.600 0.022 0.000 2.046 672 M HN 0.769 nan 8.290 nan 0.000 0.797 673 G N -0.798 107.992 108.800 -0.016 0.000 2.539 673 G HA2 0.382 4.342 3.960 0.001 0.000 0.215 673 G HA3 0.382 4.342 3.960 0.001 0.000 0.215 673 G C 1.121 176.061 174.900 0.067 0.000 1.141 673 G CA 0.933 45.992 45.100 -0.068 0.000 0.806 673 G HN 1.100 nan 8.290 nan 0.000 0.533 674 G N -0.311 108.548 108.800 0.098 0.000 2.200 674 G HA2 -0.153 3.807 3.960 0.001 0.000 0.145 674 G HA3 -0.153 3.807 3.960 0.001 0.000 0.145 674 G C 0.966 175.941 174.900 0.125 0.000 1.021 674 G CA 0.462 45.635 45.100 0.123 0.000 0.720 674 G HN 0.407 nan 8.290 nan 0.000 0.494 675 K N 0.727 121.190 120.400 0.105 0.000 2.002 675 K HA -0.024 4.297 4.320 0.001 0.000 0.209 675 K C 2.547 179.240 176.600 0.156 0.000 1.048 675 K CA 1.753 58.123 56.287 0.138 0.000 0.930 675 K CB -0.235 32.321 32.500 0.093 0.000 0.714 675 K HN 0.264 nan 8.250 nan 0.000 0.438 676 S N 0.581 116.347 115.700 0.111 0.000 2.383 676 S HA -0.102 4.368 4.470 0.001 0.000 0.227 676 S C 2.042 176.712 174.600 0.116 0.000 1.026 676 S CA 1.567 59.827 58.200 0.100 0.000 0.981 676 S CB -0.305 62.938 63.200 0.071 0.000 0.818 676 S HN 0.337 nan 8.310 nan 0.000 0.472 677 T N 1.078 115.707 114.554 0.124 0.000 2.674 677 T HA -0.121 4.230 4.350 0.001 0.000 0.265 677 T C 1.596 176.449 174.700 0.255 0.000 1.039 677 T CA 1.455 63.651 62.100 0.160 0.000 1.150 677 T CB -0.554 68.388 68.868 0.123 0.000 0.864 677 T HN 0.486 nan 8.240 nan 0.000 0.427 678 Y N 2.731 123.105 120.300 0.124 0.000 2.207 678 Y HA -0.151 4.400 4.550 0.001 0.000 0.287 678 Y C 2.059 178.018 175.900 0.099 0.000 1.156 678 Y CA 1.149 59.318 58.100 0.115 0.000 1.182 678 Y CB -0.613 37.889 38.460 0.069 0.000 0.979 678 Y HN 0.402 nan 8.280 nan 0.000 0.521 679 I N -1.979 118.571 120.570 -0.034 0.000 2.617 679 I HA -0.072 4.099 4.170 0.001 0.000 0.256 679 I C 2.004 178.084 176.117 -0.062 0.000 1.167 679 I CA 1.164 62.395 61.300 -0.115 0.000 1.469 679 I CB -0.392 37.621 38.000 0.022 0.000 1.098 679 I HN 0.020 nan 8.210 nan 0.000 0.436 680 R N 1.307 121.825 120.500 0.030 0.000 2.189 680 R HA 0.006 4.347 4.340 0.001 0.000 0.203 680 R C 2.327 178.640 176.300 0.022 0.000 1.012 680 R CA 0.963 57.097 56.100 0.057 0.000 1.015 680 R CB -0.238 30.142 30.300 0.134 0.000 0.938 680 R HN 0.625 nan 8.270 nan 0.000 0.472 681 Q N 0.305 120.148 119.800 0.072 0.000 2.291 681 Q HA -0.044 4.297 4.340 0.001 0.000 0.205 681 Q C 0.966 176.879 176.000 -0.145 0.000 0.970 681 Q CA 1.508 57.284 55.803 -0.046 0.000 0.876 681 Q CB -0.113 28.702 28.738 0.129 0.000 0.935 681 Q HN 0.020 nan 8.270 nan 0.000 0.455 682 T N 0.911 115.370 114.554 -0.158 0.000 2.732 682 T HA -0.033 4.317 4.350 0.001 0.000 0.261 682 T C 1.864 176.459 174.700 -0.176 0.000 1.040 682 T CA 1.259 63.249 62.100 -0.182 0.000 1.145 682 T CB -0.628 68.111 68.868 -0.215 0.000 0.866 682 T HN 0.621 nan 8.240 nan 0.000 0.427 683 G N 1.197 109.908 108.800 -0.149 0.000 2.440 683 G HA2 -0.189 3.772 3.960 0.001 0.000 0.218 683 G HA3 -0.189 3.772 3.960 0.001 0.000 0.218 683 G C 1.706 176.521 174.900 -0.142 0.000 1.154 683 G CA 0.922 45.941 45.100 -0.135 0.000 0.767 683 G HN 0.416 nan 8.290 nan 0.000 0.552 684 V N 1.048 120.863 119.914 -0.165 0.000 2.295 684 V HA -0.176 3.944 4.120 0.001 0.000 0.246 684 V C 2.787 178.777 176.094 -0.173 0.000 1.049 684 V CA 1.650 63.836 62.300 -0.190 0.000 1.024 684 V CB -0.394 31.236 31.823 -0.321 0.000 0.648 684 V HN 0.402 nan 8.190 nan 0.000 0.447 685 I N -0.492 119.966 120.570 -0.187 0.000 2.163 685 I HA -0.241 3.929 4.170 0.001 0.000 0.243 685 I C 2.405 178.423 176.117 -0.165 0.000 1.085 685 I CA 1.424 62.622 61.300 -0.170 0.000 1.347 685 I CB -0.415 37.481 38.000 -0.174 0.000 1.044 685 I HN 0.141 nan 8.210 nan 0.000 0.408 686 V N 0.848 120.650 119.914 -0.187 0.000 2.287 686 V HA -0.327 3.794 4.120 0.001 0.000 0.248 686 V C 2.362 178.358 176.094 -0.163 0.000 1.053 686 V CA 2.002 64.179 62.300 -0.205 0.000 1.027 686 V CB -0.522 31.149 31.823 -0.253 0.000 0.646 686 V HN 0.408 nan 8.190 nan 0.000 0.447 687 L N -1.112 120.029 121.223 -0.136 0.000 2.017 687 L HA -0.219 4.121 4.340 0.001 0.000 0.208 687 L C 2.463 179.275 176.870 -0.097 0.000 1.073 687 L CA 1.847 56.627 54.840 -0.102 0.000 0.745 687 L CB -0.158 41.852 42.059 -0.083 0.000 0.894 687 L HN 0.289 nan 8.230 nan 0.000 0.432 688 M N -1.095 118.446 119.600 -0.099 0.000 2.279 688 M HA -0.181 4.299 4.480 0.001 0.000 0.264 688 M C 2.166 178.393 176.300 -0.122 0.000 1.062 688 M CA 1.557 56.807 55.300 -0.083 0.000 1.099 688 M CB -0.386 32.186 32.600 -0.047 0.000 1.394 688 M HN 0.398 nan 8.290 nan 0.000 0.426 689 A N -0.322 122.414 122.820 -0.139 0.000 2.067 689 A HA -0.105 4.216 4.320 0.001 0.000 0.217 689 A C 1.835 179.315 177.584 -0.173 0.000 1.156 689 A CA 0.999 52.937 52.037 -0.165 0.000 0.683 689 A CB -0.278 18.620 19.000 -0.170 0.000 0.808 689 A HN 0.572 nan 8.150 nan 0.000 0.455 690 Q N -0.972 118.737 119.800 -0.152 0.000 2.282 690 Q HA 0.317 4.658 4.340 0.001 0.000 0.206 690 Q C 1.252 177.163 176.000 -0.148 0.000 0.878 690 Q CA -0.004 55.714 55.803 -0.141 0.000 0.944 690 Q CB 0.269 28.942 28.738 -0.108 0.000 1.100 690 Q HN 0.698 nan 8.270 nan 0.000 0.509 691 I N -0.600 119.872 120.570 -0.163 0.000 2.584 691 I HA 0.046 4.216 4.170 0.001 0.000 0.255 691 I C 1.079 176.992 176.117 -0.339 0.000 1.145 691 I CA 0.903 62.103 61.300 -0.167 0.000 1.462 691 I CB 0.351 38.302 38.000 -0.082 0.000 1.102 691 I HN 0.316 nan 8.210 nan 0.000 0.433 692 G N 0.929 109.498 108.800 -0.385 0.000 2.186 692 G HA2 -0.179 3.781 3.960 0.001 0.000 0.130 692 G HA3 -0.179 3.781 3.960 0.001 0.000 0.130 692 G C -0.302 174.241 174.900 -0.596 0.000 1.031 692 G CA -0.247 44.590 45.100 -0.438 0.000 0.697 692 G HN 0.344 nan 8.290 nan 0.000 0.494 693 C N -0.089 118.895 119.300 -0.526 0.000 2.614 693 C HA 0.865 5.325 4.460 0.001 0.000 0.320 693 C C 0.557 175.526 174.990 -0.036 0.000 1.200 693 C CA -1.306 57.451 59.018 -0.435 0.000 1.700 693 C CB 0.370 27.828 27.740 -0.469 0.000 2.275 693 C HN 0.366 nan 8.230 nan 0.000 0.492 694 F N 2.905 122.810 119.950 -0.075 0.000 2.506 694 F HA 0.382 4.909 4.527 0.001 0.000 0.351 694 F C 0.734 176.631 175.800 0.162 0.000 1.136 694 F CA 0.343 58.373 58.000 0.050 0.000 1.298 694 F CB 0.743 39.812 39.000 0.114 0.000 1.145 694 F HN 0.303 nan 8.300 nan 0.000 0.593 695 V N 5.133 125.143 119.914 0.160 0.000 2.472 695 V HA 0.284 4.404 4.120 0.001 0.000 0.290 695 V C -1.900 174.087 176.094 -0.180 0.000 1.037 695 V CA -1.712 60.588 62.300 0.001 0.000 0.908 695 V CB 1.733 33.493 31.823 -0.105 0.000 0.985 695 V HN 0.512 nan 8.190 nan 0.000 0.454 696 P HA 0.235 nan 4.420 nan 0.000 0.241 696 P C -0.617 176.440 177.300 -0.404 0.000 1.760 696 P CA 0.181 62.728 63.100 -0.922 0.000 1.081 696 P CB -0.107 30.893 31.700 -1.167 0.000 1.975 697 C N 0.314 119.479 119.300 -0.225 0.000 3.336 697 C HA 0.279 4.739 4.460 0.001 0.000 0.339 697 C C 1.857 176.814 174.990 -0.056 0.000 1.468 697 C CA -0.496 58.452 59.018 -0.117 0.000 1.287 697 C CB 2.121 29.803 27.740 -0.095 0.000 1.682 697 C HN 0.315 nan 8.230 nan 0.000 0.451 698 E N 0.481 120.664 120.200 -0.028 0.000 2.021 698 E HA -0.038 4.313 4.350 0.001 0.000 0.191 698 E C 0.474 177.066 176.600 -0.013 0.000 0.971 698 E CA 0.838 57.234 56.400 -0.007 0.000 0.825 698 E CB -0.016 29.687 29.700 0.004 0.000 0.788 698 E HN 0.504 nan 8.360 nan 0.000 0.460 699 S N 0.001 115.691 115.700 -0.017 0.000 2.520 699 S HA 0.527 4.998 4.470 0.001 0.000 0.324 699 S C -1.014 173.560 174.600 -0.043 0.000 1.069 699 S CA -0.613 57.571 58.200 -0.027 0.000 1.121 699 S CB 0.904 64.096 63.200 -0.014 0.000 0.971 699 S HN 0.304 nan 8.310 nan 0.000 0.463 700 A N 4.778 127.557 122.820 -0.068 0.000 2.287 700 A HA 0.722 5.043 4.320 0.001 0.000 0.317 700 A C -0.507 177.015 177.584 -0.103 0.000 1.220 700 A CA -0.646 51.338 52.037 -0.089 0.000 0.835 700 A CB 0.757 19.691 19.000 -0.109 0.000 1.180 700 A HN 0.800 nan 8.150 nan 0.000 0.500 701 E N 1.683 121.822 120.200 -0.102 0.000 2.244 701 E HA 0.490 4.840 4.350 0.001 0.000 0.260 701 E C -1.518 175.004 176.600 -0.129 0.000 0.884 701 E CA -0.534 55.801 56.400 -0.108 0.000 0.777 701 E CB 2.354 32.002 29.700 -0.087 0.000 1.197 701 E HN 0.355 nan 8.360 nan 0.000 0.416 702 V N 2.277 122.102 119.914 -0.148 0.000 2.540 702 V HA 0.292 4.413 4.120 0.001 0.000 0.302 702 V C -0.244 175.747 176.094 -0.171 0.000 1.035 702 V CA -0.716 61.470 62.300 -0.190 0.000 0.873 702 V CB 2.104 33.801 31.823 -0.211 0.000 0.992 702 V HN 0.607 nan 8.190 nan 0.000 0.428 703 S N 5.165 120.750 115.700 -0.191 0.000 2.513 703 S HA 0.547 5.018 4.470 0.001 0.000 0.276 703 S C 0.090 174.600 174.600 -0.150 0.000 1.254 703 S CA -0.426 57.701 58.200 -0.122 0.000 1.053 703 S CB 0.716 63.898 63.200 -0.031 0.000 0.958 703 S HN 0.541 nan 8.310 nan 0.000 0.491 704 I N 3.197 123.707 120.570 -0.100 0.000 2.828 704 I HA -0.012 4.158 4.170 0.001 0.000 0.292 704 I C -0.087 175.991 176.117 -0.064 0.000 1.206 704 I CA 0.030 61.273 61.300 -0.095 0.000 1.420 704 I CB -0.132 37.822 38.000 -0.077 0.000 1.368 704 I HN 0.217 nan 8.210 nan 0.000 0.556 705 V N 6.651 126.511 119.914 -0.091 0.000 2.539 705 V HA 0.048 4.168 4.120 0.001 0.000 0.292 705 V C 0.993 177.076 176.094 -0.019 0.000 1.045 705 V CA -0.274 62.000 62.300 -0.044 0.000 0.945 705 V CB 1.640 33.387 31.823 -0.125 0.000 0.993 705 V HN 0.770 nan 8.190 nan 0.000 0.464 706 D N 2.227 122.636 120.400 0.015 0.000 2.075 706 D HA -0.076 4.565 4.640 0.001 0.000 0.196 706 D C 0.459 176.762 176.300 0.006 0.000 0.985 706 D CA 1.691 55.694 54.000 0.004 0.000 0.834 706 D CB 0.369 41.177 40.800 0.012 0.000 0.987 706 D HN 0.762 nan 8.370 nan 0.000 0.452 707 C N -0.372 118.938 119.300 0.017 0.000 2.891 707 C HA 0.682 5.143 4.460 0.001 0.000 0.342 707 C C -0.244 174.753 174.990 0.012 0.000 1.126 707 C CA -1.374 57.653 59.018 0.016 0.000 1.322 707 C CB 0.340 28.096 27.740 0.028 0.000 1.763 707 C HN 0.187 nan 8.230 nan 0.000 0.491 708 I N 3.500 124.070 120.570 0.000 0.000 2.287 708 I HA 0.336 4.506 4.170 0.001 0.000 0.290 708 I C -0.181 175.943 176.117 0.012 0.000 1.069 708 I CA 0.062 61.358 61.300 -0.008 0.000 1.237 708 I CB 0.504 38.484 38.000 -0.032 0.000 1.418 708 I HN 0.555 nan 8.210 nan 0.000 0.481 709 L N 6.134 127.369 121.223 0.021 0.000 2.334 709 L HA 0.872 5.213 4.340 0.001 0.000 0.275 709 L C 0.069 176.958 176.870 0.032 0.000 1.036 709 L CA -0.590 54.268 54.840 0.030 0.000 0.807 709 L CB 1.721 43.800 42.059 0.034 0.000 1.231 709 L HN 0.642 nan 8.230 nan 0.000 0.438 710 A N 2.090 124.933 122.820 0.038 0.000 2.488 710 A HA 0.683 5.003 4.320 0.001 0.000 0.295 710 A C -1.252 176.366 177.584 0.056 0.000 1.045 710 A CA -0.664 51.402 52.037 0.048 0.000 0.703 710 A CB 1.711 20.740 19.000 0.047 0.000 1.271 710 A HN 0.623 nan 8.150 nan 0.000 0.400 711 R N 1.805 122.349 120.500 0.072 0.000 2.278 711 R HA 0.623 4.963 4.340 0.001 0.000 0.322 711 R C -1.824 174.537 176.300 0.103 0.000 1.058 711 R CA -0.177 55.972 56.100 0.082 0.000 0.991 711 R CB 0.191 30.544 30.300 0.089 0.000 1.140 711 R HN 0.520 nan 8.270 nan 0.000 0.518 712 V N 3.308 123.273 119.914 0.085 0.000 2.709 712 V HA 0.866 4.987 4.120 0.001 0.000 0.308 712 V C 0.290 176.428 176.094 0.073 0.000 1.062 712 V CA -0.447 61.904 62.300 0.086 0.000 0.901 712 V CB 2.019 33.888 31.823 0.077 0.000 1.003 712 V HN 0.831 nan 8.190 nan 0.000 0.425 724 T N -0.164 114.467 114.554 0.127 0.000 2.962 724 T HA -0.013 4.337 4.350 0.001 0.000 0.270 724 T C 1.170 175.975 174.700 0.174 0.000 1.088 724 T CA 1.019 63.196 62.100 0.128 0.000 1.127 724 T CB -0.496 68.442 68.868 0.117 0.000 0.883 724 T HN 0.602 nan 8.240 nan 0.000 0.493 725 F N 1.649 121.633 119.950 0.057 0.000 2.118 725 F HA 0.225 4.753 4.527 0.001 0.000 0.293 725 F C 2.273 178.107 175.800 0.056 0.000 1.102 725 F CA 0.722 58.761 58.000 0.065 0.000 1.247 725 F CB -0.284 38.756 39.000 0.068 0.000 1.017 725 F HN -0.063 nan 8.300 nan 0.000 0.475 726 M N 0.571 120.228 119.600 0.096 0.000 2.082 726 M HA -0.201 4.279 4.480 0.001 0.000 0.258 726 M C 2.456 178.716 176.300 -0.065 0.000 1.069 726 M CA 1.830 57.122 55.300 -0.014 0.000 1.102 726 M CB -1.925 30.720 32.600 0.076 0.000 1.336 726 M HN 0.335 nan 8.290 nan 0.000 0.404 727 A N -0.700 122.112 122.820 -0.013 0.000 2.067 727 A HA -0.163 4.157 4.320 0.001 0.000 0.219 727 A C 2.111 179.672 177.584 -0.037 0.000 1.158 727 A CA 1.696 53.726 52.037 -0.010 0.000 0.661 727 A CB -0.620 18.393 19.000 0.022 0.000 0.801 727 A HN 0.620 nan 8.150 nan 0.000 0.452 728 E N -0.719 119.437 120.200 -0.073 0.000 2.051 728 E HA -0.122 4.228 4.350 0.001 0.000 0.189 728 E C 1.734 178.242 176.600 -0.153 0.000 0.979 728 E CA 1.017 57.369 56.400 -0.081 0.000 0.803 728 E CB -0.138 29.535 29.700 -0.044 0.000 0.761 728 E HN 0.423 nan 8.360 nan 0.000 0.451 729 M N 0.510 119.924 119.600 -0.309 0.000 2.374 729 M HA -0.047 4.434 4.480 0.001 0.000 0.264 729 M C 2.137 178.337 176.300 -0.166 0.000 1.067 729 M CA 0.962 56.084 55.300 -0.298 0.000 1.103 729 M CB -0.602 31.711 32.600 -0.478 0.000 1.402 729 M HN 0.221 nan 8.290 nan 0.000 0.444 730 L N -0.688 120.461 121.223 -0.123 0.000 2.179 730 L HA -0.105 4.235 4.340 0.001 0.000 0.208 730 L C 2.422 179.264 176.870 -0.047 0.000 1.096 730 L CA 0.813 55.611 54.840 -0.070 0.000 0.779 730 L CB -0.286 41.748 42.059 -0.042 0.000 0.922 730 L HN 0.324 nan 8.230 nan 0.000 0.443 731 E N -0.382 119.793 120.200 -0.042 0.000 2.122 731 E HA -0.165 4.186 4.350 0.001 0.000 0.190 731 E C 2.100 178.689 176.600 -0.019 0.000 0.977 731 E CA 1.412 57.802 56.400 -0.016 0.000 0.820 731 E CB 0.234 29.934 29.700 0.000 0.000 0.770 731 E HN 0.484 nan 8.360 nan 0.000 0.462 732 T N -1.420 113.111 114.554 -0.038 0.000 2.812 732 T HA 0.019 4.369 4.350 0.001 0.000 0.264 732 T C 2.005 176.671 174.700 -0.056 0.000 1.042 732 T CA 0.935 63.011 62.100 -0.041 0.000 1.140 732 T CB -0.242 68.593 68.868 -0.056 0.000 0.870 732 T HN 0.147 nan 8.240 nan 0.000 0.445 733 A N 1.257 124.032 122.820 -0.074 0.000 1.969 733 A HA 0.045 4.365 4.320 0.001 0.000 0.218 733 A C 2.681 180.236 177.584 -0.049 0.000 1.169 733 A CA 1.868 53.856 52.037 -0.082 0.000 0.635 733 A CB -1.184 17.763 19.000 -0.089 0.000 0.810 733 A HN 0.553 nan 8.150 nan 0.000 0.445 734 S N -0.225 115.456 115.700 -0.031 0.000 2.348 734 S HA -0.132 4.339 4.470 0.001 0.000 0.221 734 S C 1.913 176.514 174.600 0.003 0.000 1.033 734 S CA 1.535 59.728 58.200 -0.011 0.000 1.010 734 S CB -0.466 62.735 63.200 0.002 0.000 0.891 734 S HN 0.501 nan 8.310 nan 0.000 0.442 735 I N 0.835 121.408 120.570 0.005 0.000 2.202 735 I HA -0.126 4.045 4.170 0.001 0.000 0.242 735 I C 2.266 178.399 176.117 0.026 0.000 1.091 735 I CA 0.791 62.103 61.300 0.019 0.000 1.368 735 I CB -0.322 37.689 38.000 0.019 0.000 1.058 735 I HN 0.299 nan 8.210 nan 0.000 0.410 736 L N 0.664 121.891 121.223 0.007 0.000 2.261 736 L HA -0.137 4.203 4.340 0.001 0.000 0.216 736 L C 2.062 178.971 176.870 0.065 0.000 1.114 736 L CA 1.814 56.669 54.840 0.024 0.000 0.777 736 L CB -0.494 41.509 42.059 -0.094 0.000 0.910 736 L HN 0.113 nan 8.230 nan 0.000 0.440 737 R N -2.348 118.170 120.500 0.030 0.000 2.468 737 R HA 0.235 4.575 4.340 0.001 0.000 0.280 737 R C 1.223 177.545 176.300 0.038 0.000 0.963 737 R CA 0.356 56.479 56.100 0.039 0.000 1.083 737 R CB 0.369 30.674 30.300 0.008 0.000 1.200 737 R HN 0.218 nan 8.270 nan 0.000 0.541 738 S N 0.161 115.886 115.700 0.042 0.000 2.741 738 S HA 0.197 4.668 4.470 0.001 0.000 0.245 738 S C 0.582 175.209 174.600 0.045 0.000 1.083 738 S CA -0.259 57.966 58.200 0.043 0.000 0.873 738 S CB 0.827 64.051 63.200 0.041 0.000 0.814 738 S HN 0.337 nan 8.310 nan 0.000 0.476 739 A N 2.287 125.136 122.820 0.048 0.000 2.488 739 A HA 0.504 4.824 4.320 0.001 0.000 0.249 739 A C 0.498 178.102 177.584 0.032 0.000 1.083 739 A CA 0.291 52.355 52.037 0.044 0.000 0.768 739 A CB 0.090 19.121 19.000 0.051 0.000 1.017 739 A HN 0.248 nan 8.150 nan 0.000 0.496 740 T N 0.241 114.806 114.554 0.019 0.000 2.893 740 T HA 0.343 4.693 4.350 0.001 0.000 0.281 740 T C 1.439 176.125 174.700 -0.024 0.000 1.027 740 T CA 0.216 62.316 62.100 -0.000 0.000 0.953 740 T CB 0.515 69.384 68.868 0.001 0.000 1.434 740 T HN 0.714 nan 8.240 nan 0.000 0.597 741 K N -0.140 120.231 120.400 -0.050 0.000 2.400 741 K HA 0.125 4.445 4.320 0.001 0.000 0.194 741 K C 0.593 177.109 176.600 -0.139 0.000 1.033 741 K CA 0.786 57.009 56.287 -0.106 0.000 1.021 741 K CB 0.190 32.625 32.500 -0.108 0.000 0.808 741 K HN 0.314 nan 8.250 nan 0.000 0.505 742 D N 1.580 121.957 120.400 -0.039 0.000 2.354 742 D HA -0.040 4.600 4.640 0.001 0.000 0.209 742 D C 0.488 176.889 176.300 0.168 0.000 1.015 742 D CA 0.402 54.435 54.000 0.055 0.000 0.867 742 D CB 0.344 41.169 40.800 0.042 0.000 0.933 742 D HN 0.348 nan 8.370 nan 0.000 0.520 743 S N 0.446 116.205 115.700 0.098 0.000 2.614 743 S HA 0.363 4.833 4.470 0.001 0.000 0.265 743 S C -0.160 174.566 174.600 0.210 0.000 1.303 743 S CA -0.870 57.401 58.200 0.119 0.000 1.000 743 S CB 1.628 64.863 63.200 0.058 0.000 0.935 743 S HN 0.067 nan 8.310 nan 0.000 0.551 744 L N 1.556 122.851 121.223 0.119 0.000 2.313 744 L HA 0.635 4.975 4.340 0.001 0.000 0.283 744 L C -1.183 175.711 176.870 0.039 0.000 1.013 744 L CA -0.682 54.203 54.840 0.075 0.000 0.816 744 L CB 0.797 42.808 42.059 -0.080 0.000 1.236 744 L HN 0.764 nan 8.230 nan 0.000 0.419 745 I N 6.836 127.434 120.570 0.047 0.000 2.390 745 I HA 0.361 4.532 4.170 0.001 0.000 0.283 745 I C -0.558 175.573 176.117 0.023 0.000 1.016 745 I CA -0.342 60.975 61.300 0.029 0.000 1.151 745 I CB 1.159 39.174 38.000 0.024 0.000 1.293 745 I HN 0.489 nan 8.210 nan 0.000 0.458 746 I N 7.506 128.096 120.570 0.033 0.000 2.307 746 I HA 0.386 4.557 4.170 0.001 0.000 0.289 746 I C -0.256 175.918 176.117 0.095 0.000 1.021 746 I CA -0.272 61.060 61.300 0.053 0.000 1.224 746 I CB 0.724 38.745 38.000 0.036 0.000 1.376 746 I HN 0.409 nan 8.210 nan 0.000 0.470 747 I N 5.060 125.726 120.570 0.160 0.000 2.382 747 I HA 0.275 4.446 4.170 0.001 0.000 0.286 747 I C -0.491 175.817 176.117 0.319 0.000 1.002 747 I CA -0.608 60.850 61.300 0.264 0.000 1.135 747 I CB 1.639 39.844 38.000 0.341 0.000 1.288 747 I HN 0.427 nan 8.210 nan 0.000 0.448 748 D N 6.558 127.094 120.400 0.227 0.000 2.264 748 D HA 0.076 4.717 4.640 0.001 0.000 0.250 748 D C 0.003 176.437 176.300 0.222 0.000 1.113 748 D CA -0.215 53.891 54.000 0.175 0.000 0.871 748 D CB 0.959 41.833 40.800 0.123 0.000 1.167 748 D HN 0.566 nan 8.370 nan 0.000 0.447 749 E N 2.160 122.458 120.200 0.163 0.000 1.886 749 E HA -0.244 4.107 4.350 0.001 0.000 0.334 749 E C -0.541 176.269 176.600 0.350 0.000 0.614 749 E CA 0.272 56.800 56.400 0.213 0.000 1.244 749 E CB -0.504 29.287 29.700 0.153 0.000 0.539 749 E HN 0.396 nan 8.360 nan 0.000 0.399 750 L N 3.002 124.580 121.223 0.591 0.000 2.289 750 L HA 0.481 4.821 4.340 0.001 0.000 0.285 750 L C 1.109 178.361 176.870 0.637 0.000 1.049 750 L CA 0.683 55.846 54.840 0.538 0.000 0.804 750 L CB 0.895 43.255 42.059 0.501 0.000 1.195 750 L HN 0.871 nan 8.230 nan 0.000 0.428 751 G N 3.573 112.683 108.800 0.517 0.000 2.159 751 G HA2 -0.221 3.739 3.960 0.001 0.000 0.170 751 G HA3 -0.221 3.739 3.960 0.001 0.000 0.170 751 G C 0.812 176.024 174.900 0.519 0.000 1.007 751 G CA 0.173 45.645 45.100 0.620 0.000 0.672 751 G HN 0.783 nan 8.290 nan 0.000 0.507 752 R N 0.798 121.500 120.500 0.336 0.000 2.369 752 R HA 0.237 4.578 4.340 0.001 0.000 0.200 752 R C 1.593 177.989 176.300 0.160 0.000 1.046 752 R CA 1.247 57.422 56.100 0.125 0.000 1.057 752 R CB -0.199 30.124 30.300 0.038 0.000 0.888 752 R HN 0.462 nan 8.270 nan 0.000 0.474 753 G N 1.204 110.173 108.800 0.282 0.000 2.600 753 G HA2 -0.035 3.925 3.960 0.001 0.000 0.225 753 G HA3 -0.035 3.925 3.960 0.001 0.000 0.225 753 G C 0.406 175.394 174.900 0.147 0.000 1.623 753 G CA 0.501 45.772 45.100 0.284 0.000 0.903 753 G HN 0.417 nan 8.290 nan 0.000 0.574 754 T N 0.385 114.973 114.554 0.057 0.000 2.681 754 T HA 0.382 4.733 4.350 0.001 0.000 0.333 754 T C 1.254 176.001 174.700 0.079 0.000 1.049 754 T CA 0.374 62.407 62.100 -0.111 0.000 1.002 754 T CB 0.233 68.882 68.868 -0.366 0.000 1.161 754 T HN 0.704 nan 8.240 nan 0.000 0.519 755 S N 0.201 115.940 115.700 0.064 0.000 2.658 755 S HA 0.087 4.558 4.470 0.001 0.000 0.249 755 S C 1.824 176.556 174.600 0.220 0.000 1.363 755 S CA -0.009 58.273 58.200 0.137 0.000 0.964 755 S CB -0.565 62.715 63.200 0.133 0.000 0.973 755 S HN 1.035 nan 8.310 nan 0.000 0.588 756 T N -1.593 113.074 114.554 0.189 0.000 2.674 756 T HA -0.153 4.198 4.350 0.001 0.000 0.265 756 T C 1.549 176.302 174.700 0.087 0.000 1.039 756 T CA 1.474 63.658 62.100 0.140 0.000 1.150 756 T CB -1.061 67.754 68.868 -0.089 0.000 0.864 756 T HN 0.639 nan 8.240 nan 0.000 0.427 757 Y N 2.072 122.482 120.300 0.185 0.000 2.220 757 Y HA 0.070 4.621 4.550 0.001 0.000 0.291 757 Y C 2.513 178.482 175.900 0.116 0.000 1.129 757 Y CA 1.027 59.223 58.100 0.162 0.000 1.161 757 Y CB -0.445 38.075 38.460 0.099 0.000 0.997 757 Y HN 0.202 nan 8.280 nan 0.000 0.522 758 D N -0.790 119.759 120.400 0.248 0.000 2.183 758 D HA -0.086 4.554 4.640 0.001 0.000 0.203 758 D C 2.300 178.715 176.300 0.191 0.000 0.969 758 D CA 1.337 55.438 54.000 0.168 0.000 0.842 758 D CB -0.640 40.217 40.800 0.096 0.000 0.957 758 D HN 0.390 nan 8.370 nan 0.000 0.484 759 G N 0.241 109.189 108.800 0.248 0.000 2.456 759 G HA2 -0.225 3.735 3.960 0.001 0.000 0.213 759 G HA3 -0.225 3.735 3.960 0.001 0.000 0.213 759 G C 1.453 176.407 174.900 0.090 0.000 1.215 759 G CA 0.301 45.606 45.100 0.341 0.000 0.805 759 G HN 0.255 nan 8.290 nan 0.000 0.537 760 F N 2.707 122.436 119.950 -0.369 0.000 2.120 760 F HA -0.052 4.475 4.527 0.001 0.000 0.300 760 F C 2.462 178.077 175.800 -0.309 0.000 1.095 760 F CA 1.770 59.249 58.000 -0.867 0.000 1.249 760 F CB -0.608 37.931 39.000 -0.767 0.000 0.995 760 F HN 0.116 nan 8.300 nan 0.000 0.480 761 G N 0.899 109.473 108.800 -0.376 0.000 2.459 761 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 761 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 761 G C 1.810 176.590 174.900 -0.201 0.000 1.183 761 G CA 1.178 46.059 45.100 -0.364 0.000 0.776 761 G HN 0.465 nan 8.290 nan 0.000 0.552 762 L N 0.573 121.757 121.223 -0.066 0.000 2.141 762 L HA 0.009 4.350 4.340 0.001 0.000 0.209 762 L C 3.389 180.252 176.870 -0.011 0.000 1.094 762 L CA 0.785 55.625 54.840 -0.001 0.000 0.763 762 L CB -0.328 41.784 42.059 0.089 0.000 0.908 762 L HN 0.327 nan 8.230 nan 0.000 0.437 763 A N -0.164 122.644 122.820 -0.020 0.000 1.858 763 A HA -0.270 4.051 4.320 0.001 0.000 0.216 763 A C 2.153 179.740 177.584 0.004 0.000 1.190 763 A CA 1.392 53.460 52.037 0.051 0.000 0.617 763 A CB -1.140 17.946 19.000 0.143 0.000 0.827 763 A HN 0.639 nan 8.150 nan 0.000 0.443 764 W N 0.906 122.023 121.300 -0.306 0.000 2.318 764 W HA -0.280 4.380 4.660 0.001 0.000 0.313 764 W C 2.356 178.744 176.519 -0.218 0.000 1.221 764 W CA 2.710 59.872 57.345 -0.305 0.000 1.266 764 W CB -0.560 28.553 29.460 -0.578 0.000 1.150 764 W HN 0.432 nan 8.180 nan 0.000 0.496 765 A N 0.655 123.528 122.820 0.089 0.000 1.877 765 A HA -0.204 4.117 4.320 0.001 0.000 0.216 765 A C 2.144 179.713 177.584 -0.026 0.000 1.186 765 A CA 2.123 54.188 52.037 0.048 0.000 0.620 765 A CB -1.190 17.828 19.000 0.031 0.000 0.822 765 A HN 0.331 nan 8.150 nan 0.000 0.443 766 I N -0.167 120.364 120.570 -0.065 0.000 2.163 766 I HA -0.266 3.904 4.170 0.001 0.000 0.243 766 I C 2.747 178.814 176.117 -0.085 0.000 1.085 766 I CA 1.539 62.788 61.300 -0.086 0.000 1.347 766 I CB -0.349 37.576 38.000 -0.126 0.000 1.044 766 I HN 0.254 nan 8.210 nan 0.000 0.408 767 S N 0.637 116.212 115.700 -0.209 0.000 2.359 767 S HA -0.261 4.209 4.470 0.001 0.000 0.224 767 S C 1.822 176.082 174.600 -0.568 0.000 1.035 767 S CA 2.050 59.992 58.200 -0.430 0.000 1.018 767 S CB -0.454 62.446 63.200 -0.501 0.000 0.876 767 S HN 0.649 nan 8.310 nan 0.000 0.448 768 E N -0.133 119.810 120.200 -0.429 0.000 2.274 768 E HA -0.161 4.190 4.350 0.001 0.000 0.194 768 E C 1.822 178.334 176.600 -0.146 0.000 0.996 768 E CA 0.821 57.016 56.400 -0.342 0.000 0.840 768 E CB -0.443 29.083 29.700 -0.290 0.000 0.772 768 E HN 0.665 nan 8.360 nan 0.000 0.491 769 Y N 1.397 121.597 120.300 -0.166 0.000 2.242 769 Y HA -0.047 4.503 4.550 0.001 0.000 0.291 769 Y C 1.840 177.704 175.900 -0.060 0.000 1.137 769 Y CA 1.512 59.558 58.100 -0.090 0.000 1.181 769 Y CB 0.104 38.525 38.460 -0.065 0.000 0.989 769 Y HN -0.008 nan 8.280 nan 0.000 0.527 770 I N -0.365 120.287 120.570 0.137 0.000 2.193 770 I HA -0.203 3.968 4.170 0.001 0.000 0.240 770 I C 2.487 178.652 176.117 0.079 0.000 1.084 770 I CA 1.117 62.513 61.300 0.160 0.000 1.365 770 I CB -0.680 37.536 38.000 0.360 0.000 1.064 770 I HN 0.223 nan 8.210 nan 0.000 0.410 771 A N -0.172 122.651 122.820 0.004 0.000 2.216 771 A HA -0.076 4.245 4.320 0.001 0.000 0.214 771 A C 2.047 179.572 177.584 -0.099 0.000 1.160 771 A CA 1.873 53.884 52.037 -0.043 0.000 0.725 771 A CB -0.590 18.250 19.000 -0.266 0.000 0.784 771 A HN 0.445 nan 8.150 nan 0.000 0.472 772 T N -1.997 112.476 114.554 -0.136 0.000 3.272 772 T HA 0.148 4.498 4.350 0.001 0.000 0.247 772 T C 1.538 176.130 174.700 -0.179 0.000 0.990 772 T CA 0.602 62.614 62.100 -0.147 0.000 1.213 772 T CB 0.076 68.854 68.868 -0.150 0.000 1.124 772 T HN 0.308 nan 8.240 nan 0.000 0.401 773 K N 0.620 120.846 120.400 -0.290 0.000 2.437 773 K HA 0.292 4.613 4.320 0.001 0.000 0.198 773 K C 0.616 177.023 176.600 -0.322 0.000 1.024 773 K CA 0.095 56.169 56.287 -0.356 0.000 1.148 773 K CB 0.204 32.378 32.500 -0.543 0.000 0.860 773 K HN 0.207 nan 8.250 nan 0.000 0.515 774 I N -1.729 118.712 120.570 -0.215 0.000 3.623 774 I HA 0.151 4.322 4.170 0.001 0.000 0.253 774 I C 1.211 177.275 176.117 -0.088 0.000 1.144 774 I CA 1.007 62.237 61.300 -0.116 0.000 1.461 774 I CB -0.300 37.680 38.000 -0.034 0.000 1.575 774 I HN 0.231 nan 8.210 nan 0.000 0.445 775 G N 2.220 110.975 108.800 -0.074 0.000 2.147 775 G HA2 -0.140 3.820 3.960 0.001 0.000 0.244 775 G HA3 -0.140 3.820 3.960 0.001 0.000 0.244 775 G C 0.444 175.251 174.900 -0.156 0.000 1.005 775 G CA 0.440 45.484 45.100 -0.095 0.000 0.713 775 G HN 0.726 nan 8.290 nan 0.000 0.515 776 A N -0.626 122.130 122.820 -0.108 0.000 2.246 776 A HA 0.824 5.144 4.320 0.001 0.000 0.291 776 A C 0.122 177.610 177.584 -0.161 0.000 1.103 776 A CA -0.594 51.343 52.037 -0.166 0.000 0.844 776 A CB 0.451 19.435 19.000 -0.027 0.000 1.136 776 A HN 0.679 nan 8.150 nan 0.000 0.500 777 F N -0.023 119.919 119.950 -0.013 0.000 2.471 777 F HA 0.412 4.939 4.527 0.001 0.000 0.365 777 F C 0.640 176.450 175.800 0.017 0.000 1.095 777 F CA 0.144 58.125 58.000 -0.032 0.000 1.174 777 F CB 0.554 39.314 39.000 -0.401 0.000 1.105 777 F HN 0.463 nan 8.300 nan 0.000 0.535 778 C N 6.985 126.466 119.300 0.300 0.000 2.482 778 C HA 0.759 5.219 4.460 0.001 0.000 0.317 778 C C -0.602 174.405 174.990 0.028 0.000 1.197 778 C CA -0.968 58.065 59.018 0.026 0.000 1.432 778 C CB 0.382 27.943 27.740 -0.297 0.000 2.062 778 C HN 0.859 nan 8.230 nan 0.000 0.471 779 M N 5.567 125.190 119.600 0.039 0.000 2.311 779 M HA 0.502 4.982 4.480 0.001 0.000 0.325 779 M C -1.229 175.114 176.300 0.072 0.000 1.061 779 M CA -0.342 55.018 55.300 0.100 0.000 0.957 779 M CB 2.036 34.722 32.600 0.142 0.000 1.646 779 M HN 0.700 nan 8.290 nan 0.000 0.434 780 F N 3.000 122.894 119.950 -0.095 0.000 2.716 780 F HA 0.714 5.242 4.527 0.001 0.000 0.354 780 F C -0.739 175.148 175.800 0.145 0.000 1.168 780 F CA -1.003 57.000 58.000 0.006 0.000 1.045 780 F CB 0.606 39.591 39.000 -0.025 0.000 1.311 780 F HN 0.653 nan 8.300 nan 0.000 0.477 781 A N 3.673 126.433 122.820 -0.099 0.000 2.386 781 A HA 0.655 4.976 4.320 0.001 0.000 0.248 781 A C 0.076 177.391 177.584 -0.448 0.000 1.082 781 A CA 0.331 52.274 52.037 -0.157 0.000 0.789 781 A CB 0.603 19.607 19.000 0.007 0.000 1.025 781 A HN 0.849 nan 8.150 nan 0.000 0.490 782 T N -1.106 113.288 114.554 -0.267 0.000 2.821 782 T HA 0.490 4.841 4.350 0.001 0.000 0.306 782 T C 0.244 174.922 174.700 -0.037 0.000 1.313 782 T CA -0.073 61.898 62.100 -0.215 0.000 1.012 782 T CB 0.891 69.585 68.868 -0.290 0.000 1.298 782 T HN 0.902 nan 8.240 nan 0.000 0.502 783 H N 1.210 120.160 119.070 -0.199 0.000 2.827 783 H HA 0.317 4.873 4.556 0.001 0.000 0.269 783 H C -0.364 174.863 175.328 -0.169 0.000 1.031 783 H CA -0.323 55.605 56.048 -0.200 0.000 1.202 783 H CB -0.203 29.395 29.762 -0.274 0.000 1.511 783 H HN 0.334 nan 8.280 nan 0.000 0.517 784 F N 5.129 124.880 119.950 -0.333 0.000 2.502 784 F HA 0.089 4.616 4.527 0.001 0.000 0.371 784 F C 2.202 177.942 175.800 -0.100 0.000 1.083 784 F CA -0.326 57.537 58.000 -0.228 0.000 1.174 784 F CB 0.593 39.510 39.000 -0.139 0.000 1.096 784 F HN 0.264 nan 8.300 nan 0.000 0.545 785 H N 1.680 120.787 119.070 0.062 0.000 2.321 785 H HA -0.076 4.481 4.556 0.001 0.000 0.300 785 H C 0.242 175.604 175.328 0.057 0.000 1.087 785 H CA 1.540 57.606 56.048 0.031 0.000 1.319 785 H CB -0.157 29.593 29.762 -0.020 0.000 1.379 785 H HN 0.610 nan 8.280 nan 0.000 0.501 786 E N 0.509 120.302 120.200 -0.678 0.000 2.354 786 E HA 0.195 4.546 4.350 0.001 0.000 0.252 786 E C 0.928 177.608 176.600 0.133 0.000 1.330 786 E CA -0.267 55.951 56.400 -0.302 0.000 1.658 786 E CB 0.354 29.769 29.700 -0.475 0.000 1.460 786 E HN 0.390 nan 8.360 nan 0.000 0.435 787 L N -0.025 121.353 121.223 0.258 0.000 2.609 787 L HA -0.003 4.337 4.340 0.001 0.000 0.230 787 L C 2.233 179.246 176.870 0.237 0.000 1.087 787 L CA 0.648 55.764 54.840 0.460 0.000 0.874 787 L CB 0.284 42.592 42.059 0.414 0.000 1.114 787 L HN 0.263 nan 8.230 nan 0.000 0.488 788 T N -2.814 111.849 114.554 0.182 0.000 2.962 788 T HA -0.065 4.286 4.350 0.001 0.000 0.270 788 T C 1.625 176.384 174.700 0.098 0.000 1.088 788 T CA 0.778 62.946 62.100 0.114 0.000 1.127 788 T CB -0.353 68.577 68.868 0.103 0.000 0.883 788 T HN 0.287 nan 8.240 nan 0.000 0.493 789 A N 0.541 123.483 122.820 0.203 0.000 2.248 789 A HA 0.330 4.651 4.320 0.001 0.000 0.210 789 A C 2.048 179.734 177.584 0.171 0.000 1.174 789 A CA 0.475 52.656 52.037 0.241 0.000 0.750 789 A CB -0.778 18.438 19.000 0.360 0.000 0.780 789 A HN 0.503 nan 8.150 nan 0.000 0.478 790 L N -1.096 120.036 121.223 -0.152 0.000 2.209 790 L HA 0.145 4.486 4.340 0.001 0.000 0.207 790 L C 2.542 179.279 176.870 -0.221 0.000 1.094 790 L CA 1.629 56.190 54.840 -0.465 0.000 0.790 790 L CB -0.411 41.149 42.059 -0.833 0.000 0.932 790 L HN 0.297 nan 8.230 nan 0.000 0.447 791 A N -0.279 122.471 122.820 -0.115 0.000 2.019 791 A HA -0.199 4.121 4.320 0.001 0.000 0.219 791 A C 1.903 179.466 177.584 -0.035 0.000 1.164 791 A CA 1.851 53.851 52.037 -0.062 0.000 0.644 791 A CB -0.700 18.293 19.000 -0.012 0.000 0.805 791 A HN 0.586 nan 8.150 nan 0.000 0.449 792 N N -0.142 118.553 118.700 -0.008 0.000 2.207 792 N HA -0.081 4.659 4.740 0.001 0.000 0.182 792 N C 1.807 177.319 175.510 0.005 0.000 1.020 792 N CA 1.437 54.495 53.050 0.013 0.000 0.858 792 N CB -0.409 38.105 38.487 0.045 0.000 0.991 792 N HN 0.651 nan 8.380 nan 0.000 0.427 793 Q N -0.276 119.524 119.800 0.001 0.000 2.245 793 Q HA 0.160 4.501 4.340 0.001 0.000 0.201 793 Q C -0.067 175.906 176.000 -0.046 0.000 0.955 793 Q CA 0.657 56.459 55.803 -0.002 0.000 0.870 793 Q CB 0.498 29.258 28.738 0.036 0.000 0.945 793 Q HN 0.347 nan 8.270 nan 0.000 0.461 794 I N 1.673 122.191 120.570 -0.086 0.000 2.410 794 I HA 0.148 4.319 4.170 0.001 0.000 0.286 794 I C -1.794 174.279 176.117 -0.074 0.000 1.009 794 I CA -2.196 59.045 61.300 -0.099 0.000 1.111 794 I CB 1.942 39.842 38.000 -0.167 0.000 1.262 794 I HN -0.139 nan 8.210 nan 0.000 0.443 795 P HA -0.172 nan 4.420 nan 0.000 0.216 795 P C 1.361 178.641 177.300 -0.034 0.000 1.150 795 P CA 1.641 64.721 63.100 -0.034 0.000 0.837 795 P CB -0.143 31.544 31.700 -0.022 0.000 0.786 796 T N -3.096 111.436 114.554 -0.037 0.000 3.072 796 T HA 0.041 4.391 4.350 0.001 0.000 0.266 796 T C 0.902 175.579 174.700 -0.038 0.000 1.127 796 T CA 0.101 62.187 62.100 -0.023 0.000 1.107 796 T CB -0.951 67.913 68.868 -0.007 0.000 0.910 796 T HN -0.156 nan 8.240 nan 0.000 0.513 797 V N 2.894 122.775 119.914 -0.055 0.000 2.461 797 V HA 0.472 4.592 4.120 0.001 0.000 0.275 797 V C -0.017 176.046 176.094 -0.051 0.000 1.047 797 V CA -0.958 61.318 62.300 -0.040 0.000 0.955 797 V CB 0.937 32.694 31.823 -0.109 0.000 0.988 797 V HN 0.418 nan 8.190 nan 0.000 0.471 798 N N 4.056 122.710 118.700 -0.076 0.000 2.314 798 N HA 0.385 5.125 4.740 0.001 0.000 0.304 798 N C -0.922 174.643 175.510 0.092 0.000 1.073 798 N CA -0.586 52.446 53.050 -0.029 0.000 0.822 798 N CB 1.472 39.906 38.487 -0.089 0.000 1.280 798 N HN 0.572 nan 8.380 nan 0.000 0.489 799 N N 2.350 121.111 118.700 0.103 0.000 2.425 799 N HA 0.444 5.185 4.740 0.001 0.000 0.268 799 N C -0.906 174.701 175.510 0.162 0.000 0.991 799 N CA -0.203 52.931 53.050 0.139 0.000 0.931 799 N CB 1.067 39.620 38.487 0.110 0.000 1.130 799 N HN 0.443 nan 8.380 nan 0.000 0.493 800 L N 2.262 123.594 121.223 0.181 0.000 2.354 800 L HA 0.587 4.927 4.340 0.001 0.000 0.264 800 L C -0.010 176.954 176.870 0.157 0.000 1.008 800 L CA -0.946 53.970 54.840 0.126 0.000 0.819 800 L CB 2.108 44.228 42.059 0.102 0.000 1.339 800 L HN 0.614 nan 8.230 nan 0.000 0.420 801 H N -0.257 118.815 119.070 0.003 0.000 2.990 801 H HA 0.687 5.243 4.556 0.001 0.000 0.336 801 H C -1.885 173.420 175.328 -0.038 0.000 1.306 801 H CA -0.860 55.191 56.048 0.005 0.000 1.118 801 H CB 1.839 31.620 29.762 0.032 0.000 1.856 801 H HN 0.289 nan 8.280 nan 0.000 0.538 802 V N 1.926 121.875 119.914 0.058 0.000 2.540 802 V HA 0.348 4.468 4.120 0.001 0.000 0.302 802 V C 0.534 176.671 176.094 0.071 0.000 1.035 802 V CA -0.315 61.954 62.300 -0.051 0.000 0.873 802 V CB 1.582 33.360 31.823 -0.075 0.000 0.992 802 V HN 1.055 nan 8.190 nan 0.000 0.428 803 T N 1.669 116.222 114.554 -0.001 0.000 2.884 803 T HA 0.950 5.301 4.350 0.001 0.000 0.277 803 T C -0.180 174.363 174.700 -0.262 0.000 0.976 803 T CA -0.280 61.841 62.100 0.034 0.000 0.956 803 T CB 2.095 71.030 68.868 0.112 0.000 1.113 803 T HN 1.341 nan 8.240 nan 0.000 0.554 804 A N 0.224 122.864 122.820 -0.300 0.000 2.601 804 A HA 0.659 4.979 4.320 0.001 0.000 0.291 804 A C -1.648 175.859 177.584 -0.128 0.000 1.075 804 A CA -1.038 50.722 52.037 -0.461 0.000 0.671 804 A CB 1.035 19.434 19.000 -1.002 0.000 1.277 804 A HN 0.856 nan 8.150 nan 0.000 0.417 805 L N 2.039 123.184 121.223 -0.129 0.000 2.305 805 L HA 0.514 4.854 4.340 0.001 0.000 0.284 805 L C 0.435 177.269 176.870 -0.060 0.000 1.013 805 L CA -0.642 54.174 54.840 -0.041 0.000 0.819 805 L CB 1.909 43.933 42.059 -0.058 0.000 1.227 805 L HN 0.910 nan 8.230 nan 0.000 0.417 806 T N -0.597 113.922 114.554 -0.057 0.000 2.897 806 T HA 0.616 4.966 4.350 0.001 0.000 0.294 806 T C 0.037 174.659 174.700 -0.130 0.000 1.004 806 T CA -0.472 61.498 62.100 -0.216 0.000 1.106 806 T CB 1.539 70.197 68.868 -0.349 0.000 0.949 806 T HN 0.542 nan 8.240 nan 0.000 0.520 807 T N 1.745 116.245 114.554 -0.088 0.000 2.932 807 T HA 0.289 4.640 4.350 0.001 0.000 0.318 807 T C 0.920 175.709 174.700 0.148 0.000 1.265 807 T CA -0.956 61.157 62.100 0.022 0.000 1.036 807 T CB 2.153 71.033 68.868 0.021 0.000 1.209 807 T HN 0.699 nan 8.240 nan 0.000 0.484 808 E N 0.863 121.138 120.200 0.125 0.000 2.197 808 E HA -0.249 4.101 4.350 0.001 0.000 0.205 808 E C 0.918 177.590 176.600 0.121 0.000 1.029 808 E CA 1.769 58.250 56.400 0.135 0.000 0.828 808 E CB 0.135 29.873 29.700 0.064 0.000 0.737 808 E HN 0.634 nan 8.360 nan 0.000 0.464 809 E N -0.938 119.322 120.200 0.100 0.000 2.715 809 E HA 0.108 4.459 4.350 0.001 0.000 0.224 809 E C -0.728 175.923 176.600 0.085 0.000 0.962 809 E CA 0.000 56.441 56.400 0.068 0.000 1.145 809 E CB 1.493 31.213 29.700 0.033 0.000 1.083 809 E HN -0.060 nan 8.360 nan 0.000 0.506 810 T N 1.357 115.979 114.554 0.113 0.000 2.841 810 T HA 0.387 4.738 4.350 0.001 0.000 0.285 810 T C -0.919 173.823 174.700 0.069 0.000 0.991 810 T CA -0.527 61.615 62.100 0.070 0.000 0.966 810 T CB 1.781 70.665 68.868 0.026 0.000 0.962 810 T HN -0.070 nan 8.240 nan 0.000 0.438 811 L N 4.517 125.768 121.223 0.047 0.000 2.556 811 L HA 0.383 4.724 4.340 0.001 0.000 0.243 811 L C 0.413 177.226 176.870 -0.094 0.000 1.331 811 L CA -0.266 54.565 54.840 -0.015 0.000 0.927 811 L CB 0.017 42.113 42.059 0.062 0.000 1.219 811 L HN 0.791 nan 8.230 nan 0.000 0.490 812 T N 0.111 114.597 114.554 -0.113 0.000 2.907 812 T HA 0.480 4.831 4.350 0.001 0.000 0.298 812 T C 0.491 175.022 174.700 -0.282 0.000 1.017 812 T CA -0.766 61.237 62.100 -0.161 0.000 1.118 812 T CB 0.983 69.783 68.868 -0.114 0.000 0.948 812 T HN 0.252 nan 8.240 nan 0.000 0.531 813 M N 2.495 121.840 119.600 -0.424 0.000 2.342 813 M HA 0.347 4.828 4.480 0.001 0.000 0.332 813 M C 0.771 176.648 176.300 -0.704 0.000 1.166 813 M CA -0.835 54.050 55.300 -0.691 0.000 1.086 813 M CB 1.034 32.968 32.600 -1.110 0.000 1.541 813 M HN 0.682 nan 8.290 nan 0.000 0.462 814 L N 1.082 121.966 121.223 -0.566 0.000 2.590 814 L HA 0.081 4.422 4.340 0.001 0.000 0.227 814 L C -0.155 176.581 176.870 -0.223 0.000 1.099 814 L CA 0.080 54.727 54.840 -0.321 0.000 0.872 814 L CB -0.117 41.824 42.059 -0.197 0.000 1.088 814 L HN 0.689 nan 8.230 nan 0.000 0.479 815 Y N -0.423 119.769 120.300 -0.180 0.000 4.538 815 Y HA -0.313 4.237 4.550 0.001 0.000 0.225 815 Y C 0.620 176.383 175.900 -0.229 0.000 1.074 815 Y CA 0.435 58.403 58.100 -0.220 0.000 1.942 815 Y CB -2.510 35.782 38.460 -0.279 0.000 1.618 815 Y HN 0.374 nan 8.280 nan 0.000 0.642 816 Q N -0.175 119.563 119.800 -0.104 0.000 2.316 816 Q HA 0.565 4.905 4.340 0.001 0.000 0.264 816 Q C -0.371 175.487 176.000 -0.237 0.000 0.987 816 Q CA -0.859 54.854 55.803 -0.150 0.000 0.852 816 Q CB 2.800 31.470 28.738 -0.113 0.000 1.287 816 Q HN 0.136 nan 8.270 nan 0.000 0.448 817 V N 4.683 124.398 119.914 -0.332 0.000 2.356 817 V HA 0.164 4.285 4.120 0.001 0.000 0.258 817 V C -0.611 175.259 176.094 -0.375 0.000 1.065 817 V CA -0.003 62.035 62.300 -0.437 0.000 0.935 817 V CB 0.031 31.416 31.823 -0.730 0.000 1.061 817 V HN 0.584 nan 8.190 nan 0.000 0.484 818 K N 5.904 126.018 120.400 -0.477 0.000 2.144 818 K HA 0.444 4.765 4.320 0.001 0.000 0.270 818 K C -0.117 176.249 176.600 -0.389 0.000 1.005 818 K CA -0.613 55.433 56.287 -0.401 0.000 0.932 818 K CB 1.475 33.758 32.500 -0.363 0.000 1.021 818 K HN 0.594 nan 8.250 nan 0.000 0.462 819 K N 1.019 121.344 120.400 -0.125 0.000 2.258 819 K HA 0.232 4.552 4.320 0.001 0.000 0.264 819 K C 0.548 177.245 176.600 0.160 0.000 1.007 819 K CA 0.450 56.736 56.287 -0.000 0.000 0.941 819 K CB 0.716 33.211 32.500 -0.009 0.000 0.966 819 K HN 0.862 nan 8.250 nan 0.000 0.480 820 G N -0.165 108.747 108.800 0.186 0.000 2.545 820 G HA2 -0.200 3.760 3.960 0.001 0.000 0.216 820 G HA3 -0.200 3.760 3.960 0.001 0.000 0.216 820 G C -1.187 173.854 174.900 0.236 0.000 1.314 820 G CA -0.718 44.490 45.100 0.180 0.000 0.906 820 G HN 0.455 nan 8.290 nan 0.000 0.563 821 V N 0.165 120.073 119.914 -0.011 0.000 2.656 821 V HA 0.588 4.708 4.120 0.001 0.000 0.307 821 V C 1.057 176.883 176.094 -0.447 0.000 1.051 821 V CA -0.161 62.028 62.300 -0.186 0.000 0.893 821 V CB 1.059 32.854 31.823 -0.048 0.000 0.999 821 V HN 1.708 nan 8.190 nan 0.000 0.426 822 C N 1.232 120.117 119.300 -0.692 0.000 2.351 822 C HA 0.588 5.049 4.460 0.001 0.000 0.359 822 C C 1.392 176.249 174.990 -0.222 0.000 1.193 822 C CA -0.452 58.280 59.018 -0.476 0.000 2.270 822 C CB 0.859 28.340 27.740 -0.431 0.000 2.369 822 C HN 0.861 nan 8.230 nan 0.000 0.553 823 D N 0.040 120.334 120.400 -0.175 0.000 2.084 823 D HA -0.053 4.588 4.640 0.001 0.000 0.196 823 D C 0.808 176.973 176.300 -0.224 0.000 0.985 823 D CA 1.395 55.299 54.000 -0.160 0.000 0.826 823 D CB -0.346 40.372 40.800 -0.137 0.000 0.978 823 D HN 0.753 nan 8.370 nan 0.000 0.456 824 Q N 0.323 119.918 119.800 -0.342 0.000 2.337 824 Q HA 0.174 4.514 4.340 0.001 0.000 0.270 824 Q C 0.965 176.584 176.000 -0.634 0.000 1.002 824 Q CA -0.010 55.401 55.803 -0.654 0.000 0.888 824 Q CB 1.074 29.108 28.738 -1.172 0.000 1.222 824 Q HN 0.174 nan 8.270 nan 0.000 0.400 825 S N 1.536 116.945 115.700 -0.485 0.000 2.502 825 S HA 0.037 4.508 4.470 0.001 0.000 0.215 825 S C 0.614 175.210 174.600 -0.007 0.000 1.009 825 S CA -0.084 58.013 58.200 -0.172 0.000 0.908 825 S CB 0.052 63.181 63.200 -0.118 0.000 0.801 825 S HN 0.777 nan 8.310 nan 0.000 0.505 826 F N 0.936 120.861 119.950 -0.042 0.000 2.658 826 F HA -0.296 4.231 4.527 0.001 0.000 0.528 826 F C 1.887 177.682 175.800 -0.010 0.000 0.527 826 F CA 0.688 58.670 58.000 -0.030 0.000 0.927 826 F CB -1.911 37.066 39.000 -0.038 0.000 1.675 826 F HN 0.393 nan 8.300 nan 0.000 0.263 827 G N 0.208 109.076 108.800 0.113 0.000 2.448 827 G HA2 -0.111 3.849 3.960 0.001 0.000 0.219 827 G HA3 -0.111 3.849 3.960 0.001 0.000 0.219 827 G C 1.399 176.282 174.900 -0.028 0.000 1.127 827 G CA 1.282 46.405 45.100 0.038 0.000 0.766 827 G HN 0.524 nan 8.290 nan 0.000 0.552 828 I N -0.607 119.942 120.570 -0.036 0.000 2.353 828 I HA -0.104 4.066 4.170 0.001 0.000 0.248 828 I C 2.457 178.531 176.117 -0.072 0.000 1.119 828 I CA 1.000 62.248 61.300 -0.087 0.000 1.417 828 I CB -0.446 37.509 38.000 -0.075 0.000 1.078 828 I HN 0.161 nan 8.210 nan 0.000 0.421 829 H N 1.448 120.473 119.070 -0.075 0.000 2.457 829 H HA -0.052 4.504 4.556 0.001 0.000 0.294 829 H C 2.140 177.436 175.328 -0.053 0.000 1.064 829 H CA 1.412 57.431 56.048 -0.048 0.000 1.330 829 H CB 0.420 30.188 29.762 0.008 0.000 1.395 829 H HN 0.172 nan 8.280 nan 0.000 0.541 830 V N 1.044 120.945 119.914 -0.022 0.000 2.548 830 V HA -0.165 3.955 4.120 0.001 0.000 0.249 830 V C 2.986 178.981 176.094 -0.165 0.000 1.055 830 V CA 1.187 63.449 62.300 -0.063 0.000 1.065 830 V CB -1.004 30.820 31.823 0.001 0.000 0.681 830 V HN 0.497 nan 8.190 nan 0.000 0.462 831 A N 0.095 122.733 122.820 -0.304 0.000 1.902 831 A HA -0.258 4.062 4.320 0.001 0.000 0.217 831 A C 2.322 179.701 177.584 -0.341 0.000 1.181 831 A CA 1.894 53.560 52.037 -0.618 0.000 0.623 831 A CB -0.464 17.871 19.000 -1.107 0.000 0.818 831 A HN 0.603 nan 8.150 nan 0.000 0.443 832 E N -0.681 119.350 120.200 -0.281 0.000 2.106 832 E HA -0.178 4.173 4.350 0.001 0.000 0.192 832 E C 1.780 178.290 176.600 -0.149 0.000 0.984 832 E CA 1.143 57.434 56.400 -0.182 0.000 0.806 832 E CB -0.147 29.410 29.700 -0.238 0.000 0.750 832 E HN 0.434 nan 8.360 nan 0.000 0.458 833 L N 0.230 121.323 121.223 -0.216 0.000 2.291 833 L HA 0.043 4.383 4.340 0.001 0.000 0.214 833 L C 1.918 178.770 176.870 -0.031 0.000 1.120 833 L CA 1.474 56.229 54.840 -0.143 0.000 0.799 833 L CB -0.053 41.910 42.059 -0.160 0.000 0.925 833 L HN 0.162 nan 8.230 nan 0.000 0.446 834 A N -1.278 121.556 122.820 0.023 0.000 2.308 834 A HA 0.163 4.484 4.320 0.001 0.000 0.217 834 A C 0.748 178.417 177.584 0.141 0.000 1.216 834 A CA 0.328 52.426 52.037 0.102 0.000 0.864 834 A CB -0.404 18.700 19.000 0.174 0.000 0.902 834 A HN 0.507 nan 8.150 nan 0.000 0.499 835 N N -1.328 117.449 118.700 0.130 0.000 2.791 835 N HA -0.153 4.588 4.740 0.001 0.000 0.250 835 N C -0.811 174.789 175.510 0.150 0.000 1.082 835 N CA 0.383 53.496 53.050 0.105 0.000 0.680 835 N CB -2.314 36.196 38.487 0.039 0.000 0.918 835 N HN 0.416 nan 8.380 nan 0.000 0.555 836 F N 0.625 120.537 119.950 -0.063 0.000 2.410 836 F HA 0.392 4.919 4.527 0.001 0.000 0.334 836 F C -0.977 174.771 175.800 -0.088 0.000 1.134 836 F CA -1.697 56.258 58.000 -0.076 0.000 1.227 836 F CB 0.540 39.491 39.000 -0.082 0.000 1.194 836 F HN 0.105 nan 8.300 nan 0.000 0.571 837 P HA -0.035 nan 4.420 nan 0.000 0.267 837 P C -0.053 177.220 177.300 -0.045 0.000 1.200 837 P CA -0.061 63.002 63.100 -0.062 0.000 0.772 837 P CB 0.494 32.063 31.700 -0.219 0.000 0.855 838 K N 2.682 123.094 120.400 0.019 0.000 2.281 838 K HA -0.215 4.105 4.320 0.001 0.000 0.203 838 K C 1.321 177.962 176.600 0.067 0.000 1.046 838 K CA 1.511 57.826 56.287 0.047 0.000 0.938 838 K CB -0.531 32.008 32.500 0.064 0.000 0.737 838 K HN 0.616 nan 8.250 nan 0.000 0.458 839 H N -0.380 118.711 119.070 0.036 0.000 2.553 839 H HA 0.159 4.716 4.556 0.001 0.000 0.265 839 H C 1.498 176.852 175.328 0.043 0.000 0.964 839 H CA 0.217 56.283 56.048 0.030 0.000 1.156 839 H CB 0.130 29.904 29.762 0.021 0.000 1.411 839 H HN 0.062 nan 8.280 nan 0.000 0.558 840 V N 0.932 120.688 119.914 -0.263 0.000 2.599 840 V HA -0.102 4.018 4.120 0.001 0.000 0.245 840 V C 2.509 178.608 176.094 0.009 0.000 1.046 840 V CA 0.880 63.115 62.300 -0.107 0.000 1.065 840 V CB -0.274 31.509 31.823 -0.066 0.000 0.703 840 V HN 0.245 nan 8.190 nan 0.000 0.464 841 I N 0.506 121.081 120.570 0.008 0.000 2.394 841 I HA -0.147 4.023 4.170 0.001 0.000 0.251 841 I C 2.210 178.309 176.117 -0.029 0.000 1.136 841 I CA 1.677 62.957 61.300 -0.034 0.000 1.425 841 I CB -0.266 37.706 38.000 -0.048 0.000 1.079 841 I HN 0.339 nan 8.210 nan 0.000 0.425 842 E N -0.898 119.304 120.200 0.002 0.000 2.216 842 E HA -0.197 4.154 4.350 0.001 0.000 0.192 842 E C 2.291 178.900 176.600 0.014 0.000 0.988 842 E CA 1.038 57.445 56.400 0.011 0.000 0.834 842 E CB -0.269 29.451 29.700 0.034 0.000 0.772 842 E HN 0.623 nan 8.360 nan 0.000 0.479 843 C N 0.533 119.847 119.300 0.023 0.000 2.450 843 C HA 0.074 4.534 4.460 0.001 0.000 0.279 843 C C 2.741 177.734 174.990 0.005 0.000 1.335 843 C CA 1.019 60.053 59.018 0.026 0.000 1.749 843 C CB -0.720 27.047 27.740 0.045 0.000 1.963 843 C HN 0.445 nan 8.230 nan 0.000 0.501 844 A N -0.034 122.779 122.820 -0.012 0.000 2.016 844 A HA -0.030 4.290 4.320 0.001 0.000 0.217 844 A C 2.214 179.773 177.584 -0.042 0.000 1.162 844 A CA 1.149 53.165 52.037 -0.035 0.000 0.662 844 A CB -0.463 18.494 19.000 -0.071 0.000 0.812 844 A HN 0.735 nan 8.150 nan 0.000 0.450 845 K N -0.427 119.952 120.400 -0.035 0.000 2.217 845 K HA -0.085 4.235 4.320 0.001 0.000 0.202 845 K C 2.092 178.675 176.600 -0.028 0.000 1.051 845 K CA 1.227 57.493 56.287 -0.035 0.000 0.952 845 K CB -0.085 32.399 32.500 -0.027 0.000 0.736 845 K HN 0.594 nan 8.250 nan 0.000 0.453 846 Q N 0.316 120.106 119.800 -0.017 0.000 2.187 846 Q HA -0.032 4.309 4.340 0.001 0.000 0.199 846 Q C 1.615 177.604 176.000 -0.019 0.000 0.957 846 Q CA 0.792 56.587 55.803 -0.013 0.000 0.857 846 Q CB 0.240 28.977 28.738 -0.002 0.000 0.929 846 Q HN 0.014 nan 8.270 nan 0.000 0.453 847 K N -0.006 120.381 120.400 -0.021 0.000 2.459 847 K HA 0.121 4.442 4.320 0.001 0.000 0.193 847 K C 1.450 178.024 176.600 -0.044 0.000 1.030 847 K CA 0.440 56.711 56.287 -0.026 0.000 1.026 847 K CB 0.416 32.904 32.500 -0.019 0.000 0.809 847 K HN 0.111 nan 8.250 nan 0.000 0.504 848 A N 0.498 123.288 122.820 -0.051 0.000 2.030 848 A HA 0.053 4.374 4.320 0.001 0.000 0.215 848 A C 2.033 179.577 177.584 -0.066 0.000 1.164 848 A CA 0.465 52.461 52.037 -0.069 0.000 0.697 848 A CB -0.159 18.797 19.000 -0.073 0.000 0.827 848 A HN 0.146 nan 8.150 nan 0.000 0.457 849 L N -0.689 120.505 121.223 -0.050 0.000 2.179 849 L HA -0.067 4.273 4.340 0.001 0.000 0.208 849 L C 2.188 179.035 176.870 -0.039 0.000 1.096 849 L CA 0.991 55.805 54.840 -0.043 0.000 0.779 849 L CB -0.420 41.619 42.059 -0.033 0.000 0.922 849 L HN 0.412 nan 8.230 nan 0.000 0.443 850 E N 0.253 120.433 120.200 -0.035 0.000 2.347 850 E HA -0.059 4.291 4.350 0.001 0.000 0.196 850 E C 1.287 177.866 176.600 -0.035 0.000 1.008 850 E CA 0.575 56.958 56.400 -0.028 0.000 0.852 850 E CB 0.176 29.865 29.700 -0.019 0.000 0.783 850 E HN 0.489 nan 8.360 nan 0.000 0.505 851 L N 0.531 121.721 121.223 -0.054 0.000 2.928 851 L HA 0.181 4.522 4.340 0.001 0.000 0.246 851 L C 0.907 177.725 176.870 -0.087 0.000 1.239 851 L CA 0.106 54.902 54.840 -0.074 0.000 1.035 851 L CB 0.272 42.267 42.059 -0.106 0.000 1.360 851 L HN -0.010 nan 8.230 nan 0.000 0.529 852 E N -0.080 120.083 120.200 -0.063 0.000 2.562 852 E HA -0.050 4.301 4.350 0.001 0.000 0.214 852 E C 1.351 177.931 176.600 -0.033 0.000 0.979 852 E CA 0.017 56.383 56.400 -0.056 0.000 1.002 852 E CB 0.630 30.294 29.700 -0.060 0.000 1.048 852 E HN 0.536 nan 8.360 nan 0.000 0.488 853 E N -0.080 120.105 120.200 -0.025 0.000 2.216 853 E HA -0.112 4.239 4.350 0.001 0.000 0.192 853 E C 0.774 177.371 176.600 -0.005 0.000 0.988 853 E CA 0.805 57.197 56.400 -0.014 0.000 0.834 853 E CB -0.049 29.644 29.700 -0.011 0.000 0.772 853 E HN 0.167 nan 8.360 nan 0.000 0.479 854 F N 0.922 120.871 119.950 -0.002 0.000 2.627 854 F HA 0.713 5.240 4.527 0.001 0.000 0.329 854 F C 0.288 176.106 175.800 0.029 0.000 1.378 854 F CA -0.202 57.805 58.000 0.012 0.000 1.134 854 F CB 0.073 39.083 39.000 0.016 0.000 1.229 854 F HN 0.319 nan 8.300 nan 0.000 0.537 855 Q N 0.000 119.816 119.800 0.027 0.000 2.315 855 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 855 Q CA 0.000 55.838 55.803 0.059 0.000 1.022 855 Q CB 0.000 28.760 28.738 0.036 0.000 1.108 855 Q HN 0.000 nan 8.270 nan 0.000 0.481