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 1ec8_1_B DATA FIRST_RESID 5 DATA SEQUENCE FTTPVVTEMQ VIPVAGHDSM LMNLSGAHAP FFTRNIVIIK DNSGHTGVGE DATA SEQUENCE IPGGEKIRKT LEDAIPLVVG KTLGEYKNVL TLVRNTFADR DAGGRGLQTF DATA SEQUENCE DLRTTIHVVT GIEAAMLDLL GQHLGVNVAS LLGDGQQRSE VEMLGYLFFV DATA SEQUENCE GNRKATPLPY QSQPDDSCDW YRLRHEEAMT PDAVVRLAEA AYEKYGFNDF DATA SEQUENCE KLKGGVLAGE EEAESIVALA QRFPQARITL DPNGAWSLNE AIKIGKYLKG DATA SEQUENCE SLAYAEDPCG AEQGFSGREV MAEFRRATGL PTATNMIATD WRQMGHTLSL DATA SEQUENCE QSVDIPLADP HFWTMQGSVR VAQMCHEFGL TWGSHSNNHF DISLAMFTHV DATA SEQUENCE AAAAPGKITA IDTHWIWQEG NQRLTKEPFE IKGGLVQVPE KPGLGVEIDM DATA SEQUENCE DQVMKAHELY QKHGLGARDD AMGMQYLIPG WTFDNKRPCM VR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.834 175.800 0.057 0.000 0.967 5 F CA 0.000 58.024 58.000 0.040 0.000 1.383 5 F CB 0.000 39.016 39.000 0.027 0.000 1.145 6 T N -0.250 114.410 114.554 0.176 0.000 2.940 6 T HA 0.803 5.166 4.350 0.022 0.000 0.288 6 T C 0.123 174.873 174.700 0.084 0.000 1.033 6 T CA -0.824 61.343 62.100 0.113 0.000 1.033 6 T CB 1.235 70.128 68.868 0.041 0.000 1.079 6 T HN 0.309 nan 8.240 nan 0.000 0.496 7 T N 1.172 115.718 114.554 -0.014 0.000 2.797 7 T HA 0.736 5.099 4.350 0.022 0.000 0.279 7 T C -2.879 171.700 174.700 -0.201 0.000 0.991 7 T CA -1.754 60.235 62.100 -0.184 0.000 0.979 7 T CB 1.035 69.849 68.868 -0.091 0.000 0.943 7 T HN 0.374 nan 8.240 nan 0.000 0.444 8 P HA 0.428 nan 4.420 nan 0.000 0.277 8 P C -0.416 176.805 177.300 -0.132 0.000 1.240 8 P CA -0.705 62.265 63.100 -0.217 0.000 0.798 8 P CB 0.835 32.375 31.700 -0.267 0.000 0.979 9 V N 0.168 120.030 119.914 -0.086 0.000 2.513 9 V HA 0.398 4.531 4.120 0.022 0.000 0.299 9 V C -0.070 176.002 176.094 -0.036 0.000 1.035 9 V CA -1.016 61.256 62.300 -0.048 0.000 0.889 9 V CB 1.596 33.400 31.823 -0.032 0.000 0.988 9 V HN 0.240 nan 8.190 nan 0.000 0.440 10 V N 5.392 125.296 119.914 -0.018 0.000 2.557 10 V HA 0.103 4.236 4.120 0.022 0.000 0.301 10 V C 1.800 177.890 176.094 -0.007 0.000 1.026 10 V CA 1.290 63.586 62.300 -0.007 0.000 1.137 10 V CB 0.732 32.560 31.823 0.010 0.000 0.917 10 V HN 1.243 nan 8.190 nan 0.000 0.484 11 T N 1.644 116.193 114.554 -0.008 0.000 3.042 11 T HA 0.257 4.620 4.350 0.022 0.000 0.245 11 T C 0.437 175.135 174.700 -0.003 0.000 1.029 11 T CA 0.068 62.164 62.100 -0.008 0.000 1.120 11 T CB 0.365 69.226 68.868 -0.012 0.000 0.917 11 T HN 0.654 nan 8.240 nan 0.000 0.467 12 E N 0.020 120.219 120.200 -0.002 0.000 2.429 12 E HA 0.676 5.039 4.350 0.022 0.000 0.276 12 E C -1.419 175.180 176.600 -0.001 0.000 0.953 12 E CA -0.930 55.469 56.400 -0.002 0.000 0.787 12 E CB 2.752 32.448 29.700 -0.007 0.000 1.307 12 E HN 0.351 nan 8.360 nan 0.000 0.458 13 M N 1.962 121.559 119.600 -0.004 0.000 2.373 13 M HA 0.230 4.723 4.480 0.022 0.000 0.290 13 M C -2.375 173.916 176.300 -0.015 0.000 1.143 13 M CA -0.223 55.074 55.300 -0.005 0.000 0.949 13 M CB 2.092 34.695 32.600 0.006 0.000 1.756 13 M HN 0.643 nan 8.290 nan 0.000 0.494 14 Q N 2.856 122.640 119.800 -0.026 0.000 2.462 14 Q HA 0.775 5.128 4.340 0.022 0.000 0.285 14 Q C -2.105 173.863 176.000 -0.052 0.000 1.035 14 Q CA -1.043 54.735 55.803 -0.042 0.000 0.799 14 Q CB 2.876 31.581 28.738 -0.055 0.000 1.452 14 Q HN 0.652 nan 8.270 nan 0.000 0.404 15 V N 2.877 122.751 119.914 -0.067 0.000 2.495 15 V HA 0.699 4.832 4.120 0.022 0.000 0.298 15 V C -1.408 174.609 176.094 -0.128 0.000 1.031 15 V CA -0.698 61.555 62.300 -0.079 0.000 0.871 15 V CB 1.367 33.152 31.823 -0.063 0.000 0.988 15 V HN 0.815 nan 8.190 nan 0.000 0.432 16 I N 8.526 129.006 120.570 -0.151 0.000 2.439 16 I HA 0.450 4.633 4.170 0.022 0.000 0.283 16 I C -2.555 173.425 176.117 -0.228 0.000 1.023 16 I CA -2.019 59.140 61.300 -0.235 0.000 1.100 16 I CB 2.343 40.181 38.000 -0.270 0.000 1.238 16 I HN 0.469 nan 8.210 nan 0.000 0.445 17 P HA 0.199 nan 4.420 nan 0.000 0.276 17 P C -0.639 176.393 177.300 -0.448 0.000 1.235 17 P CA -0.130 62.660 63.100 -0.516 0.000 0.772 17 P CB 1.258 32.398 31.700 -0.933 0.000 0.871 18 V N -0.033 119.666 119.914 -0.359 0.000 3.130 18 V HA 1.002 5.135 4.120 0.022 0.000 0.310 18 V C -0.932 175.153 176.094 -0.016 0.000 1.158 18 V CA -1.408 60.809 62.300 -0.139 0.000 1.029 18 V CB 1.749 33.491 31.823 -0.135 0.000 1.057 18 V HN 0.692 nan 8.190 nan 0.000 0.436 19 A N 0.552 123.371 122.820 -0.001 0.000 2.566 19 A HA 1.079 5.412 4.320 0.022 0.000 0.292 19 A C -0.115 177.343 177.584 -0.211 0.000 1.112 19 A CA -0.169 51.778 52.037 -0.151 0.000 0.707 19 A CB 1.664 20.592 19.000 -0.120 0.000 1.302 19 A HN 2.223 nan 8.150 nan 0.000 0.409 20 G N -0.993 107.411 108.800 -0.659 0.000 2.921 20 G HA2 0.596 4.569 3.960 0.022 0.000 0.291 20 G HA3 0.596 4.569 3.960 0.022 0.000 0.291 20 G C -1.535 173.209 174.900 -0.260 0.000 1.370 20 G CA -0.610 44.268 45.100 -0.370 0.000 0.847 20 G HN 0.824 nan 8.290 nan 0.000 0.532 21 H N -0.555 118.684 119.070 0.280 0.000 2.472 21 H HA 0.642 5.211 4.556 0.022 0.000 0.335 21 H C -0.809 174.727 175.328 0.347 0.000 1.136 21 H CA 0.057 56.292 56.048 0.311 0.000 1.264 21 H CB 2.004 31.901 29.762 0.226 0.000 1.486 21 H HN 0.410 nan 8.280 nan 0.000 0.517 22 D N -0.223 120.368 120.400 0.318 0.000 2.552 22 D HA 0.344 4.997 4.640 0.022 0.000 0.239 22 D C -0.465 175.936 176.300 0.167 0.000 1.139 22 D CA -0.540 53.577 54.000 0.194 0.000 0.914 22 D CB 1.876 42.753 40.800 0.127 0.000 1.461 22 D HN 0.451 nan 8.370 nan 0.000 0.462 23 S N 0.381 116.086 115.700 0.008 0.000 2.661 23 S HA 0.272 4.755 4.470 0.022 0.000 0.265 23 S C 0.710 175.159 174.600 -0.252 0.000 1.225 23 S CA -0.576 57.565 58.200 -0.099 0.000 0.986 23 S CB 0.580 63.637 63.200 -0.238 0.000 1.008 23 S HN 0.525 nan 8.310 nan 0.000 0.565 24 M N 2.379 121.688 119.600 -0.484 0.000 3.690 24 M HA 0.244 4.737 4.480 0.022 0.000 0.209 24 M C -1.214 174.782 176.300 -0.507 0.000 1.403 24 M CA -0.139 54.824 55.300 -0.561 0.000 1.621 24 M CB -0.844 31.246 32.600 -0.850 0.000 1.056 24 M HN 0.428 nan 8.290 nan 0.000 0.593 25 L N 3.132 123.904 121.223 -0.751 0.000 2.477 25 L HA 0.109 4.462 4.340 0.022 0.000 0.272 25 L C 0.049 176.519 176.870 -0.667 0.000 1.157 25 L CA 0.101 54.285 54.840 -1.093 0.000 0.889 25 L CB 0.157 40.837 42.059 -2.298 0.000 1.158 25 L HN 0.436 nan 8.230 nan 0.000 0.473 26 M N 4.444 123.894 119.600 -0.250 0.000 2.188 26 M HA 0.320 4.813 4.480 0.022 0.000 0.357 26 M C -0.137 176.240 176.300 0.128 0.000 1.204 26 M CA -0.186 55.087 55.300 -0.044 0.000 1.095 26 M CB 0.772 33.392 32.600 0.032 0.000 1.604 26 M HN 0.700 nan 8.290 nan 0.000 0.464 27 N N 0.925 119.704 118.700 0.132 0.000 3.243 27 N HA 0.423 5.176 4.740 0.022 0.000 0.280 27 N C 0.069 175.719 175.510 0.233 0.000 1.545 27 N CA -0.959 52.224 53.050 0.221 0.000 0.854 27 N CB 1.131 39.803 38.487 0.309 0.000 1.612 27 N HN 0.342 nan 8.380 nan 0.000 0.577 28 L N -0.149 121.235 121.223 0.269 0.000 2.191 28 L HA 0.106 4.459 4.340 0.022 0.000 0.212 28 L C 1.433 178.668 176.870 0.608 0.000 1.103 28 L CA 1.732 56.793 54.840 0.368 0.000 0.769 28 L CB -0.546 41.693 42.059 0.300 0.000 0.908 28 L HN 0.726 nan 8.230 nan 0.000 0.438 29 S N -0.713 115.253 115.700 0.443 0.000 2.527 29 S HA 0.424 4.907 4.470 0.022 0.000 0.222 29 S C 0.814 175.640 174.600 0.377 0.000 0.985 29 S CA 0.449 58.858 58.200 0.348 0.000 0.921 29 S CB -0.055 63.258 63.200 0.189 0.000 0.772 29 S HN 0.858 nan 8.310 nan 0.000 0.529 30 G N 0.560 109.462 108.800 0.170 0.000 2.233 30 G HA2 0.358 4.331 3.960 0.022 0.000 0.162 30 G HA3 0.358 4.331 3.960 0.022 0.000 0.162 30 G C -1.399 173.406 174.900 -0.158 0.000 1.327 30 G CA -0.359 44.576 45.100 -0.275 0.000 1.187 30 G HN 0.635 nan 8.290 nan 0.000 0.479 31 A N -0.370 122.358 122.820 -0.153 0.000 2.371 31 A HA 0.803 5.136 4.320 0.022 0.000 0.311 31 A C -0.272 177.351 177.584 0.065 0.000 1.068 31 A CA -0.387 51.608 52.037 -0.071 0.000 0.744 31 A CB 0.562 19.495 19.000 -0.112 0.000 1.239 31 A HN 0.825 nan 8.150 nan 0.000 0.435 32 H N 1.100 120.080 119.070 -0.150 0.000 2.897 32 H HA 0.289 4.858 4.556 0.021 0.000 0.347 32 H C 1.051 176.365 175.328 -0.023 0.000 1.068 32 H CA 0.294 56.255 56.048 -0.145 0.000 1.426 32 H CB 1.032 30.639 29.762 -0.259 0.000 1.410 32 H HN 0.868 nan 8.280 nan 0.000 0.597 33 A N 4.875 127.706 122.820 0.019 0.000 2.327 33 A HA 0.088 4.421 4.320 0.022 0.000 0.255 33 A C -1.277 176.195 177.584 -0.186 0.000 1.099 33 A CA -1.251 50.733 52.037 -0.089 0.000 0.801 33 A CB -0.035 18.888 19.000 -0.129 0.000 1.062 33 A HN 0.571 nan 8.150 nan 0.000 0.496 34 P HA 0.010 nan 4.420 nan 0.000 0.226 34 P C -0.426 176.403 177.300 -0.786 0.000 1.153 34 P CA 1.105 63.646 63.100 -0.931 0.000 0.777 34 P CB -0.036 30.721 31.700 -1.572 0.000 0.794 35 F N 0.383 120.205 119.950 -0.213 0.000 2.529 35 F HA 0.431 4.971 4.527 0.022 0.000 0.320 35 F C 0.229 175.955 175.800 -0.123 0.000 1.118 35 F CA -1.893 55.957 58.000 -0.249 0.000 0.915 35 F CB 0.846 39.607 39.000 -0.398 0.000 1.161 35 F HN -0.246 nan 8.300 nan 0.000 0.445 36 F N 0.136 120.075 119.950 -0.019 0.000 2.507 36 F HA 0.917 5.458 4.527 0.022 0.000 0.327 36 F C -0.276 175.520 175.800 -0.007 0.000 1.068 36 F CA -0.946 56.996 58.000 -0.097 0.000 0.965 36 F CB 1.391 40.270 39.000 -0.201 0.000 1.192 36 F HN 0.486 nan 8.300 nan 0.000 0.476 37 T N 0.921 115.477 114.554 0.003 0.000 2.932 37 T HA 0.841 5.204 4.350 0.022 0.000 0.289 37 T C -0.634 174.138 174.700 0.121 0.000 1.039 37 T CA -1.025 61.090 62.100 0.025 0.000 1.024 37 T CB 2.067 71.058 68.868 0.205 0.000 1.090 37 T HN 0.785 nan 8.240 nan 0.000 0.496 38 R N 0.970 121.538 120.500 0.113 0.000 2.764 38 R HA 0.481 4.834 4.340 0.022 0.000 0.270 38 R C -1.386 174.938 176.300 0.041 0.000 1.014 38 R CA -0.837 55.352 56.100 0.147 0.000 0.904 38 R CB 1.678 32.182 30.300 0.341 0.000 1.236 38 R HN 0.817 nan 8.270 nan 0.000 0.466 39 N N 0.400 119.123 118.700 0.037 0.000 2.372 39 N HA 0.434 5.187 4.740 0.022 0.000 0.285 39 N C -0.787 174.728 175.510 0.008 0.000 1.008 39 N CA -0.549 52.489 53.050 -0.019 0.000 0.880 39 N CB 1.379 39.855 38.487 -0.017 0.000 1.239 39 N HN 0.214 nan 8.380 nan 0.000 0.484 40 I N 2.689 123.235 120.570 -0.040 0.000 2.377 40 I HA 0.351 4.534 4.170 0.022 0.000 0.293 40 I C -0.229 175.866 176.117 -0.037 0.000 0.987 40 I CA -0.878 60.404 61.300 -0.031 0.000 1.185 40 I CB 1.281 39.236 38.000 -0.075 0.000 1.341 40 I HN 0.208 nan 8.210 nan 0.000 0.455 41 V N 7.037 126.945 119.914 -0.011 0.000 2.483 41 V HA 0.558 4.691 4.120 0.022 0.000 0.295 41 V C 0.111 176.194 176.094 -0.019 0.000 1.035 41 V CA -0.620 61.673 62.300 -0.012 0.000 0.896 41 V CB 2.248 34.078 31.823 0.013 0.000 0.986 41 V HN 0.409 nan 8.190 nan 0.000 0.447 42 I N 5.354 125.909 120.570 -0.025 0.000 2.468 42 I HA 0.539 4.722 4.170 0.022 0.000 0.285 42 I C -0.948 175.160 176.117 -0.014 0.000 1.039 42 I CA -0.259 61.026 61.300 -0.025 0.000 1.074 42 I CB 1.834 39.811 38.000 -0.039 0.000 1.228 42 I HN 0.432 nan 8.210 nan 0.000 0.436 43 I N 5.640 126.207 120.570 -0.005 0.000 2.509 43 I HA 0.449 4.632 4.170 0.022 0.000 0.293 43 I C -0.379 175.742 176.117 0.007 0.000 1.020 43 I CA -0.709 60.593 61.300 0.003 0.000 1.088 43 I CB 2.379 40.385 38.000 0.011 0.000 1.267 43 I HN 0.466 nan 8.210 nan 0.000 0.430 44 K N 3.673 124.077 120.400 0.007 0.000 2.259 44 K HA 0.483 4.817 4.320 0.022 0.000 0.249 44 K C -1.359 175.246 176.600 0.008 0.000 0.942 44 K CA -0.843 55.452 56.287 0.014 0.000 0.816 44 K CB 2.197 34.702 32.500 0.008 0.000 1.155 44 K HN 0.647 nan 8.250 nan 0.000 0.428 45 D N -0.360 120.045 120.400 0.009 0.000 2.414 45 D HA 0.069 4.722 4.640 0.022 0.000 0.241 45 D C 0.439 176.713 176.300 -0.045 0.000 1.008 45 D CA -0.754 53.230 54.000 -0.026 0.000 1.001 45 D CB 0.610 41.378 40.800 -0.053 0.000 1.277 45 D HN 0.449 nan 8.370 nan 0.000 0.538 46 N N -0.393 118.268 118.700 -0.065 0.000 2.571 46 N HA -0.145 4.608 4.740 0.022 0.000 0.189 46 N C 0.634 176.085 175.510 -0.098 0.000 1.154 46 N CA 0.672 53.683 53.050 -0.065 0.000 0.907 46 N CB -0.437 38.015 38.487 -0.058 0.000 0.977 46 N HN 0.369 nan 8.380 nan 0.000 0.449 47 S N -2.200 113.400 115.700 -0.166 0.000 2.577 47 S HA 0.381 4.864 4.470 0.022 0.000 0.219 47 S C 1.327 175.795 174.600 -0.220 0.000 0.962 47 S CA 0.104 58.146 58.200 -0.262 0.000 0.921 47 S CB -0.503 62.434 63.200 -0.440 0.000 0.789 47 S HN 0.523 nan 8.310 nan 0.000 0.497 48 G N 0.791 109.554 108.800 -0.060 0.000 2.176 48 G HA2 -0.239 3.734 3.960 0.022 0.000 0.253 48 G HA3 -0.239 3.734 3.960 0.022 0.000 0.253 48 G C -0.026 175.006 174.900 0.221 0.000 0.979 48 G CA 0.181 45.323 45.100 0.069 0.000 0.641 48 G HN 0.730 nan 8.290 nan 0.000 0.530 49 H N 0.434 119.499 119.070 -0.009 0.000 2.551 49 H HA 0.523 5.092 4.556 0.022 0.000 0.358 49 H C -0.168 175.152 175.328 -0.014 0.000 1.151 49 H CA 0.423 56.467 56.048 -0.008 0.000 1.374 49 H CB 1.076 30.836 29.762 -0.003 0.000 1.473 49 H HN 0.158 nan 8.280 nan 0.000 0.574 50 T N 1.552 116.156 114.554 0.083 0.000 2.881 50 T HA 0.399 4.762 4.350 0.022 0.000 0.290 50 T C 0.073 174.775 174.700 0.003 0.000 1.000 50 T CA -0.855 61.263 62.100 0.030 0.000 0.978 50 T CB 1.650 70.521 68.868 0.006 0.000 0.997 50 T HN 0.770 nan 8.240 nan 0.000 0.443 51 G N 1.120 109.921 108.800 0.001 0.000 2.481 51 G HA2 0.767 4.741 3.960 0.022 0.000 0.315 51 G HA3 0.767 4.741 3.960 0.022 0.000 0.315 51 G C -0.706 174.183 174.900 -0.019 0.000 1.231 51 G CA -0.806 44.285 45.100 -0.016 0.000 0.968 51 G HN 0.890 nan 8.290 nan 0.000 0.482 52 V N -1.211 118.687 119.914 -0.027 0.000 3.130 52 V HA 1.060 5.193 4.120 0.022 0.000 0.310 52 V C 0.117 176.202 176.094 -0.015 0.000 1.158 52 V CA -0.430 61.856 62.300 -0.023 0.000 1.029 52 V CB 1.619 33.422 31.823 -0.033 0.000 1.057 52 V HN 1.490 nan 8.190 nan 0.000 0.436 53 G N 0.520 109.321 108.800 0.002 0.000 2.690 53 G HA2 0.691 4.664 3.960 0.022 0.000 0.293 53 G HA3 0.691 4.664 3.960 0.022 0.000 0.293 53 G C -1.828 173.107 174.900 0.057 0.000 1.399 53 G CA -0.445 44.673 45.100 0.030 0.000 0.890 53 G HN 1.160 nan 8.290 nan 0.000 0.485 54 E N -0.077 120.192 120.200 0.114 0.000 2.290 54 E HA 0.611 4.974 4.350 0.022 0.000 0.274 54 E C -0.978 175.781 176.600 0.264 0.000 0.889 54 E CA -0.798 55.702 56.400 0.167 0.000 0.760 54 E CB 2.034 31.850 29.700 0.193 0.000 1.206 54 E HN 0.700 nan 8.360 nan 0.000 0.419 55 I N -0.535 120.159 120.570 0.206 0.000 3.264 55 I HA 0.670 4.853 4.170 0.022 0.000 0.315 55 I C -2.707 173.443 176.117 0.055 0.000 1.154 55 I CA -3.180 58.240 61.300 0.199 0.000 0.962 55 I CB 1.933 40.065 38.000 0.219 0.000 1.265 55 I HN 0.252 nan 8.210 nan 0.000 0.463 56 P HA 0.115 nan 4.420 nan 0.000 0.266 56 P C -0.014 177.255 177.300 -0.051 0.000 1.193 56 P CA 0.244 63.265 63.100 -0.131 0.000 0.770 56 P CB 0.293 31.783 31.700 -0.349 0.000 0.836 57 G N 0.875 109.674 108.800 -0.000 0.000 2.616 57 G HA2 0.548 4.521 3.960 0.022 0.000 0.268 57 G HA3 0.548 4.521 3.960 0.022 0.000 0.268 57 G C -0.093 174.836 174.900 0.048 0.000 1.213 57 G CA -0.081 45.042 45.100 0.039 0.000 0.926 57 G HN 0.803 nan 8.290 nan 0.000 0.523 58 G N -1.072 107.787 108.800 0.097 0.000 2.435 58 G HA2 0.219 4.192 3.960 0.022 0.000 0.603 58 G HA3 0.219 4.192 3.960 0.022 0.000 0.603 58 G C 0.111 175.069 174.900 0.097 0.000 1.496 58 G CA 0.494 45.652 45.100 0.098 0.000 0.896 58 G HN 0.765 nan 8.290 nan 0.000 0.657 59 E N 0.866 121.129 120.200 0.105 0.000 2.107 59 E HA 0.007 4.370 4.350 0.022 0.000 0.191 59 E C 2.727 179.355 176.600 0.047 0.000 0.982 59 E CA 2.778 59.231 56.400 0.087 0.000 0.809 59 E CB -0.134 29.618 29.700 0.087 0.000 0.756 59 E HN 0.997 nan 8.360 nan 0.000 0.459 60 K N 1.054 121.481 120.400 0.046 0.000 1.991 60 K HA -0.109 4.224 4.320 0.022 0.000 0.212 60 K C 2.297 178.903 176.600 0.010 0.000 1.049 60 K CA 1.802 58.106 56.287 0.029 0.000 0.932 60 K CB -1.342 31.183 32.500 0.040 0.000 0.717 60 K HN 0.290 nan 8.250 nan 0.000 0.441 61 I N 0.101 120.690 120.570 0.030 0.000 2.194 61 I HA -0.305 3.879 4.170 0.022 0.000 0.246 61 I C 2.972 179.083 176.117 -0.010 0.000 1.093 61 I CA 1.677 62.992 61.300 0.025 0.000 1.355 61 I CB -0.202 37.829 38.000 0.051 0.000 1.046 61 I HN 0.392 nan 8.210 nan 0.000 0.413 62 R N 1.287 121.784 120.500 -0.004 0.000 2.080 62 R HA -0.266 4.087 4.340 0.022 0.000 0.236 62 R C 2.341 178.617 176.300 -0.040 0.000 1.137 62 R CA 2.129 58.214 56.100 -0.024 0.000 0.943 62 R CB -0.168 30.124 30.300 -0.014 0.000 0.846 62 R HN 0.111 nan 8.270 nan 0.000 0.431 63 K N -0.081 120.300 120.400 -0.032 0.000 2.026 63 K HA -0.074 4.260 4.320 0.022 0.000 0.208 63 K C 1.864 178.396 176.600 -0.113 0.000 1.048 63 K CA 2.353 58.612 56.287 -0.047 0.000 0.929 63 K CB -0.513 31.974 32.500 -0.022 0.000 0.713 63 K HN 0.157 nan 8.250 nan 0.000 0.439 64 T N 1.505 115.958 114.554 -0.168 0.000 2.684 64 T HA -0.141 4.222 4.350 0.022 0.000 0.267 64 T C 1.779 176.255 174.700 -0.373 0.000 1.036 64 T CA 1.579 63.453 62.100 -0.378 0.000 1.148 64 T CB -0.353 68.298 68.868 -0.361 0.000 0.863 64 T HN 0.134 nan 8.240 nan 0.000 0.436 65 L N 0.650 121.757 121.223 -0.193 0.000 2.043 65 L HA -0.198 4.155 4.340 0.022 0.000 0.212 65 L C 2.860 179.672 176.870 -0.097 0.000 1.075 65 L CA 1.651 56.419 54.840 -0.119 0.000 0.752 65 L CB -0.401 41.624 42.059 -0.056 0.000 0.891 65 L HN 0.405 nan 8.230 nan 0.000 0.432 66 E N -0.149 119.997 120.200 -0.090 0.000 2.047 66 E HA -0.241 4.122 4.350 0.022 0.000 0.191 66 E C 1.609 178.187 176.600 -0.037 0.000 0.987 66 E CA 1.401 57.769 56.400 -0.052 0.000 0.799 66 E CB 0.092 29.769 29.700 -0.039 0.000 0.752 66 E HN 0.450 nan 8.360 nan 0.000 0.449 67 D N 0.308 120.663 120.400 -0.076 0.000 2.221 67 D HA -0.158 4.495 4.640 0.022 0.000 0.204 67 D C 1.623 177.994 176.300 0.117 0.000 0.982 67 D CA 1.223 55.230 54.000 0.011 0.000 0.857 67 D CB -0.183 40.606 40.800 -0.019 0.000 0.934 67 D HN 0.295 nan 8.370 nan 0.000 0.475 68 A N 0.344 123.175 122.820 0.020 0.000 2.119 68 A HA 0.002 4.335 4.320 0.022 0.000 0.216 68 A C 2.253 179.902 177.584 0.109 0.000 1.152 68 A CA 0.060 52.185 52.037 0.146 0.000 0.708 68 A CB -0.426 18.627 19.000 0.087 0.000 0.805 68 A HN 0.155 nan 8.150 nan 0.000 0.460 69 I N 0.907 121.511 120.570 0.057 0.000 2.113 69 I HA -0.238 3.945 4.170 0.022 0.000 0.242 69 I C -0.353 175.797 176.117 0.056 0.000 1.057 69 I CA 1.949 63.276 61.300 0.046 0.000 1.314 69 I CB -1.430 36.584 38.000 0.024 0.000 1.022 69 I HN 0.252 nan 8.210 nan 0.000 0.408 70 P HA -0.149 nan 4.420 nan 0.000 0.226 70 P C 1.625 178.960 177.300 0.059 0.000 1.146 70 P CA 1.501 64.634 63.100 0.054 0.000 0.773 70 P CB -0.151 31.583 31.700 0.057 0.000 0.772 71 L N -1.864 119.409 121.223 0.083 0.000 2.446 71 L HA 0.032 4.385 4.340 0.022 0.000 0.219 71 L C 2.244 179.153 176.870 0.066 0.000 1.116 71 L CA 0.475 55.361 54.840 0.077 0.000 0.844 71 L CB -0.236 41.890 42.059 0.112 0.000 0.970 71 L HN -0.144 nan 8.230 nan 0.000 0.457 72 V N -1.148 118.804 119.914 0.065 0.000 2.581 72 V HA 0.034 4.167 4.120 0.022 0.000 0.240 72 V C 1.285 177.403 176.094 0.040 0.000 1.054 72 V CA 0.075 62.409 62.300 0.056 0.000 1.076 72 V CB 0.542 32.400 31.823 0.059 0.000 0.748 72 V HN -0.020 nan 8.190 nan 0.000 0.474 73 V N 1.572 121.505 119.914 0.033 0.000 2.901 73 V HA 0.334 4.467 4.120 0.022 0.000 0.307 73 V C 1.570 177.675 176.094 0.017 0.000 1.084 73 V CA 1.263 63.575 62.300 0.021 0.000 1.184 73 V CB -0.198 31.636 31.823 0.018 0.000 0.941 73 V HN 0.787 nan 8.190 nan 0.000 0.493 74 G N 2.625 111.430 108.800 0.009 0.000 2.225 74 G HA2 -0.228 3.745 3.960 0.022 0.000 0.267 74 G HA3 -0.228 3.745 3.960 0.022 0.000 0.267 74 G C 0.125 175.028 174.900 0.006 0.000 1.024 74 G CA 0.326 45.429 45.100 0.004 0.000 0.784 74 G HN 0.594 nan 8.290 nan 0.000 0.507 75 K N 0.350 120.757 120.400 0.011 0.000 2.166 75 K HA 0.610 4.943 4.320 0.022 0.000 0.245 75 K C 0.797 177.403 176.600 0.009 0.000 0.967 75 K CA 0.026 56.322 56.287 0.015 0.000 0.863 75 K CB 1.520 34.038 32.500 0.030 0.000 1.107 75 K HN 0.369 nan 8.250 nan 0.000 0.436 76 T N -1.670 112.890 114.554 0.010 0.000 2.899 76 T HA 0.256 4.619 4.350 0.022 0.000 0.284 76 T C 1.713 176.429 174.700 0.027 0.000 1.004 76 T CA -0.744 61.355 62.100 -0.002 0.000 1.043 76 T CB 0.454 69.320 68.868 -0.004 0.000 1.013 76 T HN 0.454 nan 8.240 nan 0.000 0.518 77 L N 1.316 122.541 121.223 0.003 0.000 2.191 77 L HA 0.067 4.420 4.340 0.022 0.000 0.212 77 L C 2.935 179.901 176.870 0.160 0.000 1.103 77 L CA 1.423 56.293 54.840 0.049 0.000 0.769 77 L CB -1.215 40.829 42.059 -0.025 0.000 0.908 77 L HN 0.985 nan 8.230 nan 0.000 0.438 78 G N 0.083 108.953 108.800 0.118 0.000 2.470 78 G HA2 -0.189 3.784 3.960 0.022 0.000 0.220 78 G HA3 -0.189 3.784 3.960 0.022 0.000 0.220 78 G C 1.288 176.272 174.900 0.140 0.000 1.121 78 G CA 0.250 45.442 45.100 0.152 0.000 0.766 78 G HN 0.500 nan 8.290 nan 0.000 0.553 79 E N 0.072 120.336 120.200 0.106 0.000 2.476 79 E HA 0.028 4.391 4.350 0.022 0.000 0.191 79 E C 1.668 178.293 176.600 0.043 0.000 1.064 79 E CA -0.209 56.220 56.400 0.049 0.000 0.866 79 E CB -0.172 29.548 29.700 0.034 0.000 0.952 79 E HN 0.756 nan 8.360 nan 0.000 0.492 80 Y N 1.861 122.172 120.300 0.019 0.000 2.132 80 Y HA -0.310 4.253 4.550 0.022 0.000 0.280 80 Y C 1.738 177.655 175.900 0.030 0.000 1.193 80 Y CA 1.477 59.592 58.100 0.025 0.000 1.157 80 Y CB -0.409 38.066 38.460 0.025 0.000 0.966 80 Y HN -0.179 nan 8.280 nan 0.000 0.511 81 K N 0.098 120.063 120.400 -0.725 0.000 2.097 81 K HA -0.132 4.201 4.320 0.022 0.000 0.205 81 K C 1.797 178.277 176.600 -0.200 0.000 1.050 81 K CA 1.293 57.260 56.287 -0.532 0.000 0.938 81 K CB -0.233 31.941 32.500 -0.543 0.000 0.718 81 K HN 0.382 nan 8.250 nan 0.000 0.442 82 N N 0.751 119.368 118.700 -0.138 0.000 2.142 82 N HA -0.114 4.639 4.740 0.022 0.000 0.186 82 N C 1.921 177.416 175.510 -0.024 0.000 1.023 82 N CA 0.840 53.852 53.050 -0.064 0.000 0.852 82 N CB -0.441 38.019 38.487 -0.045 0.000 0.998 82 N HN -0.083 nan 8.380 nan 0.000 0.424 83 V N 2.019 121.931 119.914 -0.003 0.000 2.287 83 V HA -0.203 3.930 4.120 0.022 0.000 0.248 83 V C 2.418 178.540 176.094 0.048 0.000 1.053 83 V CA 1.296 63.617 62.300 0.035 0.000 1.027 83 V CB -0.590 31.272 31.823 0.064 0.000 0.646 83 V HN 0.254 nan 8.190 nan 0.000 0.447 84 L N -0.470 120.778 121.223 0.042 0.000 2.042 84 L HA -0.201 4.152 4.340 0.022 0.000 0.210 84 L C 2.593 179.495 176.870 0.053 0.000 1.076 84 L CA 2.073 56.951 54.840 0.062 0.000 0.749 84 L CB -1.020 41.074 42.059 0.058 0.000 0.893 84 L HN 0.356 nan 8.230 nan 0.000 0.432 85 T N 0.015 114.581 114.554 0.019 0.000 2.867 85 T HA -0.137 4.227 4.350 0.022 0.000 0.268 85 T C 1.778 176.488 174.700 0.017 0.000 1.057 85 T CA 0.937 63.047 62.100 0.016 0.000 1.136 85 T CB -0.119 68.745 68.868 -0.008 0.000 0.874 85 T HN 0.098 nan 8.240 nan 0.000 0.466 86 L N 1.456 122.687 121.223 0.014 0.000 1.994 86 L HA -0.019 4.334 4.340 0.022 0.000 0.208 86 L C 2.442 179.318 176.870 0.011 0.000 1.071 86 L CA 1.571 56.411 54.840 0.000 0.000 0.745 86 L CB -0.984 41.079 42.059 0.007 0.000 0.892 86 L HN 0.057 nan 8.230 nan 0.000 0.431 87 V N 0.404 120.368 119.914 0.084 0.000 2.231 87 V HA -0.381 3.752 4.120 0.022 0.000 0.250 87 V C 2.798 179.018 176.094 0.209 0.000 1.058 87 V CA 2.410 64.834 62.300 0.206 0.000 1.022 87 V CB -0.870 31.087 31.823 0.225 0.000 0.640 87 V HN 0.561 nan 8.190 nan 0.000 0.445 88 R N -0.085 120.501 120.500 0.144 0.000 2.103 88 R HA -0.219 4.134 4.340 0.022 0.000 0.242 88 R C 2.177 178.523 176.300 0.075 0.000 1.142 88 R CA 2.131 58.307 56.100 0.125 0.000 0.960 88 R CB -0.288 30.068 30.300 0.093 0.000 0.858 88 R HN 0.560 nan 8.270 nan 0.000 0.439 89 N N -0.562 118.148 118.700 0.017 0.000 2.207 89 N HA -0.069 4.684 4.740 0.022 0.000 0.182 89 N C 1.593 177.036 175.510 -0.112 0.000 1.020 89 N CA 1.677 54.710 53.050 -0.029 0.000 0.858 89 N CB -0.455 38.010 38.487 -0.037 0.000 0.991 89 N HN 0.197 nan 8.380 nan 0.000 0.427 90 T N 0.219 114.638 114.554 -0.225 0.000 2.759 90 T HA -0.084 4.279 4.350 0.022 0.000 0.269 90 T C 0.823 175.103 174.700 -0.701 0.000 1.042 90 T CA 1.142 62.922 62.100 -0.534 0.000 1.140 90 T CB -0.206 68.219 68.868 -0.738 0.000 0.864 90 T HN 0.217 nan 8.240 nan 0.000 0.455 91 F N -0.036 119.928 119.950 0.023 0.000 2.698 91 F HA 0.614 5.154 4.527 0.021 0.000 0.304 91 F C 1.815 177.629 175.800 0.023 0.000 1.108 91 F CA -0.912 57.103 58.000 0.025 0.000 1.263 91 F CB -0.448 38.570 39.000 0.031 0.000 1.013 91 F HN 0.026 nan 8.300 nan 0.000 0.532 92 A N 0.249 123.140 122.820 0.118 0.000 2.032 92 A HA -0.247 4.086 4.320 0.022 0.000 0.221 92 A C 1.801 179.432 177.584 0.077 0.000 1.165 92 A CA 2.281 54.372 52.037 0.089 0.000 0.645 92 A CB -0.681 18.349 19.000 0.050 0.000 0.807 92 A HN 0.344 nan 8.150 nan 0.000 0.453 93 D N -0.027 120.418 120.400 0.074 0.000 2.154 93 D HA -0.231 4.422 4.640 0.022 0.000 0.190 93 D C 1.891 178.232 176.300 0.068 0.000 1.003 93 D CA 1.823 55.860 54.000 0.062 0.000 0.849 93 D CB -0.412 40.429 40.800 0.068 0.000 0.942 93 D HN 0.543 nan 8.370 nan 0.000 0.446 94 R N 0.230 120.790 120.500 0.099 0.000 2.355 94 R HA -0.089 4.265 4.340 0.022 0.000 0.219 94 R C 0.343 176.678 176.300 0.060 0.000 1.107 94 R CA 0.872 57.023 56.100 0.086 0.000 1.021 94 R CB -0.100 30.267 30.300 0.110 0.000 0.852 94 R HN 0.254 nan 8.270 nan 0.000 0.475 95 D N -0.264 120.166 120.400 0.050 0.000 2.398 95 D HA 0.169 4.822 4.640 0.022 0.000 0.210 95 D C 1.384 177.690 176.300 0.010 0.000 1.094 95 D CA 0.136 54.151 54.000 0.026 0.000 0.839 95 D CB 0.462 41.271 40.800 0.015 0.000 0.963 95 D HN 0.095 nan 8.370 nan 0.000 0.506 96 A N 0.759 123.590 122.820 0.018 0.000 2.023 96 A HA -0.188 4.145 4.320 0.022 0.000 0.223 96 A C 2.236 179.820 177.584 -0.000 0.000 1.180 96 A CA 2.177 54.220 52.037 0.010 0.000 0.659 96 A CB -0.938 18.072 19.000 0.016 0.000 0.817 96 A HN 0.326 nan 8.150 nan 0.000 0.466 97 G N -1.969 106.829 108.800 -0.004 0.000 2.511 97 G HA2 0.412 4.385 3.960 0.022 0.000 0.217 97 G HA3 0.412 4.385 3.960 0.022 0.000 0.217 97 G C 1.129 176.010 174.900 -0.031 0.000 1.133 97 G CA 0.811 45.903 45.100 -0.014 0.000 0.792 97 G HN 1.801 nan 8.290 nan 0.000 0.539 98 G N -0.424 108.354 108.800 -0.038 0.000 2.660 98 G HA2 -0.244 3.729 3.960 0.022 0.000 0.215 98 G HA3 -0.244 3.729 3.960 0.022 0.000 0.215 98 G C 0.764 175.609 174.900 -0.093 0.000 1.345 98 G CA 0.385 45.447 45.100 -0.063 0.000 0.877 98 G HN 0.432 nan 8.290 nan 0.000 0.549 99 R N 0.470 120.890 120.500 -0.133 0.000 2.073 99 R HA 0.274 4.627 4.340 0.022 0.000 0.234 99 R C 1.577 177.765 176.300 -0.187 0.000 1.134 99 R CA 2.753 58.740 56.100 -0.189 0.000 0.952 99 R CB -0.696 29.451 30.300 -0.256 0.000 0.850 99 R HN 2.719 nan 8.270 nan 0.000 0.433 100 G N -1.061 107.647 108.800 -0.154 0.000 2.483 100 G HA2 -0.176 3.797 3.960 0.022 0.000 0.521 100 G HA3 -0.176 3.797 3.960 0.022 0.000 0.521 100 G C -0.023 174.794 174.900 -0.138 0.000 1.278 100 G CA -0.246 44.764 45.100 -0.150 0.000 0.965 100 G HN 0.175 nan 8.290 nan 0.000 0.504 101 L N 0.742 121.903 121.223 -0.104 0.000 2.640 101 L HA 0.182 4.535 4.340 0.022 0.000 0.230 101 L C 1.347 178.206 176.870 -0.018 0.000 1.123 101 L CA -0.097 54.744 54.840 0.001 0.000 0.900 101 L CB -0.134 42.014 42.059 0.148 0.000 1.146 101 L HN 0.472 nan 8.230 nan 0.000 0.484 102 Q N 0.281 119.885 119.800 -0.326 0.000 2.584 102 Q HA 0.002 4.355 4.340 0.022 0.000 0.218 102 Q C 1.551 177.384 176.000 -0.279 0.000 1.079 102 Q CA 0.718 56.181 55.803 -0.567 0.000 1.008 102 Q CB 0.354 28.390 28.738 -1.169 0.000 1.267 102 Q HN 0.211 nan 8.270 nan 0.000 0.586 103 T N -2.888 111.602 114.554 -0.107 0.000 3.055 103 T HA 0.060 4.423 4.350 0.022 0.000 0.265 103 T C 0.763 175.556 174.700 0.156 0.000 1.111 103 T CA 0.415 62.583 62.100 0.112 0.000 1.118 103 T CB -0.270 68.758 68.868 0.267 0.000 0.909 103 T HN 0.436 nan 8.240 nan 0.000 0.501 104 F N 0.116 120.063 119.950 -0.005 0.000 2.483 104 F HA 0.728 5.268 4.527 0.023 0.000 0.329 104 F C -0.344 175.409 175.800 -0.078 0.000 1.064 104 F CA -1.929 56.069 58.000 -0.002 0.000 0.986 104 F CB 0.811 39.812 39.000 0.003 0.000 1.218 104 F HN -0.244 nan 8.300 nan 0.000 0.484 105 D N 2.224 122.611 120.400 -0.021 0.000 2.277 105 D HA 0.183 4.836 4.640 0.022 0.000 0.249 105 D C 0.634 176.937 176.300 0.004 0.000 1.134 105 D CA -0.068 53.852 54.000 -0.133 0.000 0.863 105 D CB 1.406 42.094 40.800 -0.186 0.000 1.143 105 D HN 0.740 nan 8.370 nan 0.000 0.458 106 L N 3.177 124.332 121.223 -0.112 0.000 2.599 106 L HA 0.094 4.448 4.340 0.022 0.000 0.230 106 L C 1.406 178.307 176.870 0.052 0.000 1.141 106 L CA 0.128 54.947 54.840 -0.035 0.000 0.877 106 L CB -0.074 41.917 42.059 -0.113 0.000 1.009 106 L HN 0.131 nan 8.230 nan 0.000 0.447 107 R N -0.694 119.843 120.500 0.062 0.000 2.738 107 R HA 0.084 4.438 4.340 0.022 0.000 0.268 107 R C 0.899 177.316 176.300 0.194 0.000 1.062 107 R CA 0.290 56.417 56.100 0.045 0.000 1.158 107 R CB 0.732 30.973 30.300 -0.098 0.000 1.046 107 R HN -0.061 nan 8.270 nan 0.000 0.493 108 T N -0.631 113.998 114.554 0.125 0.000 3.238 108 T HA -0.021 4.342 4.350 0.022 0.000 0.242 108 T C 1.654 176.428 174.700 0.123 0.000 0.980 108 T CA 0.479 62.676 62.100 0.163 0.000 1.235 108 T CB -0.017 68.907 68.868 0.094 0.000 1.069 108 T HN 0.539 nan 8.240 nan 0.000 0.407 109 T N 2.885 117.485 114.554 0.076 0.000 2.720 109 T HA -0.076 4.287 4.350 0.022 0.000 0.268 109 T C 1.937 176.678 174.700 0.068 0.000 1.037 109 T CA 1.095 63.245 62.100 0.083 0.000 1.144 109 T CB -0.427 68.518 68.868 0.129 0.000 0.864 109 T HN 0.105 nan 8.240 nan 0.000 0.444 110 I N 0.933 121.500 120.570 -0.004 0.000 2.208 110 I HA -0.203 3.980 4.170 0.022 0.000 0.245 110 I C 2.080 178.188 176.117 -0.015 0.000 1.097 110 I CA 1.573 62.844 61.300 -0.047 0.000 1.363 110 I CB -0.389 37.522 38.000 -0.147 0.000 1.051 110 I HN 0.376 nan 8.210 nan 0.000 0.413 111 H N -1.413 117.734 119.070 0.128 0.000 2.326 111 H HA -0.098 4.472 4.556 0.022 0.000 0.301 111 H C 2.310 177.709 175.328 0.118 0.000 1.081 111 H CA 1.718 57.856 56.048 0.151 0.000 1.334 111 H CB -0.303 29.547 29.762 0.147 0.000 1.385 111 H HN 0.173 nan 8.280 nan 0.000 0.504 112 V N 0.313 120.345 119.914 0.198 0.000 2.324 112 V HA -0.285 3.848 4.120 0.022 0.000 0.250 112 V C 2.360 178.523 176.094 0.115 0.000 1.060 112 V CA 1.649 64.017 62.300 0.113 0.000 1.042 112 V CB -0.560 31.283 31.823 0.034 0.000 0.650 112 V HN 0.263 nan 8.190 nan 0.000 0.450 113 V N -0.133 119.855 119.914 0.123 0.000 2.233 113 V HA -0.306 3.827 4.120 0.022 0.000 0.247 113 V C 2.582 178.753 176.094 0.128 0.000 1.050 113 V CA 2.801 65.175 62.300 0.123 0.000 1.010 113 V CB -1.059 30.834 31.823 0.117 0.000 0.637 113 V HN 0.646 nan 8.190 nan 0.000 0.444 114 T N 0.205 114.845 114.554 0.143 0.000 2.699 114 T HA -0.185 4.178 4.350 0.022 0.000 0.268 114 T C 1.862 176.638 174.700 0.127 0.000 1.036 114 T CA 1.592 63.775 62.100 0.139 0.000 1.147 114 T CB -0.822 68.146 68.868 0.166 0.000 0.862 114 T HN 0.646 nan 8.240 nan 0.000 0.446 115 G N 1.496 110.384 108.800 0.147 0.000 2.491 115 G HA2 -0.185 3.788 3.960 0.022 0.000 0.218 115 G HA3 -0.185 3.788 3.960 0.022 0.000 0.218 115 G C 1.520 176.471 174.900 0.085 0.000 1.180 115 G CA 0.774 45.947 45.100 0.120 0.000 0.774 115 G HN 0.518 nan 8.290 nan 0.000 0.562 116 I N 0.501 121.124 120.570 0.088 0.000 2.315 116 I HA -0.111 4.072 4.170 0.022 0.000 0.248 116 I C 2.654 178.824 176.117 0.089 0.000 1.117 116 I CA 1.313 62.660 61.300 0.080 0.000 1.404 116 I CB -0.278 37.775 38.000 0.087 0.000 1.071 116 I HN 0.338 nan 8.210 nan 0.000 0.419 117 E N 1.714 121.979 120.200 0.107 0.000 2.085 117 E HA -0.265 4.098 4.350 0.022 0.000 0.194 117 E C 2.285 178.927 176.600 0.071 0.000 0.994 117 E CA 1.513 57.987 56.400 0.123 0.000 0.801 117 E CB -0.007 29.776 29.700 0.139 0.000 0.743 117 E HN 0.471 nan 8.360 nan 0.000 0.453 118 A N 1.229 124.079 122.820 0.049 0.000 1.902 118 A HA -0.106 4.227 4.320 0.022 0.000 0.217 118 A C 2.397 179.972 177.584 -0.014 0.000 1.181 118 A CA 1.944 53.986 52.037 0.008 0.000 0.623 118 A CB -0.747 18.258 19.000 0.010 0.000 0.818 118 A HN 0.431 nan 8.150 nan 0.000 0.443 119 A N -1.180 121.643 122.820 0.005 0.000 1.930 119 A HA -0.042 4.291 4.320 0.022 0.000 0.217 119 A C 2.152 179.726 177.584 -0.017 0.000 1.175 119 A CA 1.767 53.801 52.037 -0.006 0.000 0.627 119 A CB -0.420 18.584 19.000 0.007 0.000 0.815 119 A HN 0.422 nan 8.150 nan 0.000 0.443 120 M N -0.372 119.226 119.600 -0.004 0.000 2.132 120 M HA -0.002 4.491 4.480 0.022 0.000 0.263 120 M C 2.085 178.299 176.300 -0.144 0.000 1.065 120 M CA 1.242 56.526 55.300 -0.027 0.000 1.122 120 M CB -1.298 31.342 32.600 0.066 0.000 1.365 120 M HN 0.387 nan 8.290 nan 0.000 0.411 121 L N -0.407 120.719 121.223 -0.162 0.000 2.201 121 L HA -0.200 4.153 4.340 0.022 0.000 0.212 121 L C 2.173 178.942 176.870 -0.169 0.000 1.105 121 L CA 0.838 55.537 54.840 -0.235 0.000 0.775 121 L CB -0.680 41.279 42.059 -0.168 0.000 0.913 121 L HN 0.252 nan 8.230 nan 0.000 0.440 122 D N 0.590 120.920 120.400 -0.116 0.000 2.084 122 D HA -0.167 4.487 4.640 0.022 0.000 0.194 122 D C 2.318 178.578 176.300 -0.066 0.000 0.990 122 D CA 1.360 55.300 54.000 -0.099 0.000 0.826 122 D CB -0.002 40.755 40.800 -0.072 0.000 0.971 122 D HN 0.161 nan 8.370 nan 0.000 0.453 123 L N -0.118 121.081 121.223 -0.039 0.000 2.017 123 L HA -0.164 4.189 4.340 0.022 0.000 0.208 123 L C 2.567 179.458 176.870 0.036 0.000 1.073 123 L CA 0.636 55.487 54.840 0.019 0.000 0.745 123 L CB -0.501 41.569 42.059 0.019 0.000 0.894 123 L HN 0.181 nan 8.230 nan 0.000 0.432 124 L N 0.370 121.560 121.223 -0.055 0.000 2.017 124 L HA -0.100 4.254 4.340 0.022 0.000 0.208 124 L C 2.395 179.258 176.870 -0.010 0.000 1.073 124 L CA 2.231 57.037 54.840 -0.057 0.000 0.745 124 L CB -1.187 40.707 42.059 -0.275 0.000 0.894 124 L HN 0.150 nan 8.230 nan 0.000 0.432 125 G N -1.573 107.183 108.800 -0.073 0.000 2.442 125 G HA2 -0.307 3.667 3.960 0.022 0.000 0.219 125 G HA3 -0.307 3.667 3.960 0.022 0.000 0.219 125 G C 1.502 176.391 174.900 -0.019 0.000 1.141 125 G CA 0.864 45.923 45.100 -0.067 0.000 0.763 125 G HN 0.542 nan 8.290 nan 0.000 0.554 126 Q N -0.931 118.877 119.800 0.014 0.000 2.079 126 Q HA -0.126 4.227 4.340 0.022 0.000 0.200 126 Q C 2.309 178.420 176.000 0.184 0.000 0.974 126 Q CA 1.454 57.283 55.803 0.043 0.000 0.840 126 Q CB -0.195 28.537 28.738 -0.009 0.000 0.898 126 Q HN 0.719 nan 8.270 nan 0.000 0.430 127 H N 0.399 119.547 119.070 0.129 0.000 2.321 127 H HA -0.043 4.526 4.556 0.022 0.000 0.300 127 H C 1.422 176.786 175.328 0.060 0.000 1.087 127 H CA 1.444 57.553 56.048 0.102 0.000 1.319 127 H CB -0.089 29.696 29.762 0.039 0.000 1.379 127 H HN 0.132 nan 8.280 nan 0.000 0.501 128 L N -0.516 120.630 121.223 -0.127 0.000 2.599 128 L HA 0.175 4.528 4.340 0.022 0.000 0.230 128 L C 1.497 178.306 176.870 -0.101 0.000 1.141 128 L CA 0.472 55.197 54.840 -0.191 0.000 0.877 128 L CB -0.097 41.908 42.059 -0.090 0.000 1.009 128 L HN 0.637 nan 8.230 nan 0.000 0.447 129 G N 1.098 109.864 108.800 -0.057 0.000 2.198 129 G HA2 -0.247 3.726 3.960 0.022 0.000 0.260 129 G HA3 -0.247 3.726 3.960 0.022 0.000 0.260 129 G C 0.152 175.034 174.900 -0.031 0.000 1.025 129 G CA 0.407 45.486 45.100 -0.035 0.000 0.769 129 G HN 0.318 nan 8.290 nan 0.000 0.507 130 V N -2.806 117.087 119.914 -0.035 0.000 3.074 130 V HA 0.808 4.941 4.120 0.022 0.000 0.314 130 V C 0.348 176.414 176.094 -0.045 0.000 1.117 130 V CA -1.042 61.239 62.300 -0.031 0.000 1.014 130 V CB 1.716 33.522 31.823 -0.028 0.000 1.057 130 V HN 0.599 nan 8.190 nan 0.000 0.438 131 N N 0.633 119.315 118.700 -0.030 0.000 2.424 131 N HA 0.279 5.032 4.740 0.022 0.000 0.257 131 N C 0.669 176.092 175.510 -0.146 0.000 1.250 131 N CA -0.488 52.523 53.050 -0.065 0.000 0.946 131 N CB 1.797 40.341 38.487 0.095 0.000 1.175 131 N HN 0.434 nan 8.380 nan 0.000 0.477 132 V N 0.717 120.391 119.914 -0.399 0.000 2.490 132 V HA -0.231 3.902 4.120 0.022 0.000 0.250 132 V C 2.558 178.595 176.094 -0.094 0.000 1.061 132 V CA 2.197 64.303 62.300 -0.323 0.000 1.064 132 V CB -1.246 30.316 31.823 -0.435 0.000 0.670 132 V HN 0.903 nan 8.190 nan 0.000 0.461 133 A N -0.502 122.394 122.820 0.126 0.000 1.978 133 A HA -0.205 4.128 4.320 0.022 0.000 0.220 133 A C 2.422 180.035 177.584 0.050 0.000 1.170 133 A CA 2.147 54.285 52.037 0.167 0.000 0.636 133 A CB -0.524 18.613 19.000 0.229 0.000 0.810 133 A HN 0.518 nan 8.150 nan 0.000 0.448 134 S N -0.586 115.131 115.700 0.028 0.000 2.481 134 S HA 0.099 4.582 4.470 0.022 0.000 0.231 134 S C 1.267 175.862 174.600 -0.007 0.000 0.996 134 S CA 0.654 58.856 58.200 0.002 0.000 0.942 134 S CB -0.206 62.992 63.200 -0.003 0.000 0.768 134 S HN 0.531 nan 8.310 nan 0.000 0.520 135 L N 0.941 122.155 121.223 -0.016 0.000 2.628 135 L HA 0.341 4.694 4.340 0.022 0.000 0.229 135 L C -0.251 176.630 176.870 0.018 0.000 1.137 135 L CA 0.174 55.009 54.840 -0.008 0.000 0.909 135 L CB -0.058 41.970 42.059 -0.051 0.000 1.137 135 L HN 0.147 nan 8.230 nan 0.000 0.470 136 L N -1.261 119.966 121.223 0.006 0.000 2.342 136 L HA 0.637 4.990 4.340 0.022 0.000 0.271 136 L C 1.236 178.096 176.870 -0.017 0.000 1.008 136 L CA -0.473 54.371 54.840 0.007 0.000 0.818 136 L CB 1.598 43.656 42.059 -0.002 0.000 1.296 136 L HN 0.149 nan 8.230 nan 0.000 0.427 137 G N 1.646 110.434 108.800 -0.019 0.000 2.685 137 G HA2 -0.340 3.633 3.960 0.022 0.000 0.329 137 G HA3 -0.340 3.633 3.960 0.022 0.000 0.329 137 G C 0.321 175.199 174.900 -0.036 0.000 1.271 137 G CA 0.685 45.759 45.100 -0.044 0.000 1.003 137 G HN 0.730 nan 8.290 nan 0.000 0.549 138 D N 2.997 123.365 120.400 -0.053 0.000 2.395 138 D HA 0.470 5.124 4.640 0.022 0.000 0.226 138 D C 1.236 177.513 176.300 -0.039 0.000 1.146 138 D CA 1.694 55.670 54.000 -0.041 0.000 0.830 138 D CB -0.127 40.646 40.800 -0.045 0.000 0.958 138 D HN 1.523 nan 8.370 nan 0.000 0.501 139 G N 1.082 109.860 108.800 -0.036 0.000 2.710 139 G HA2 -0.226 3.747 3.960 0.022 0.000 0.668 139 G HA3 -0.226 3.747 3.960 0.022 0.000 0.668 139 G C -0.375 174.501 174.900 -0.039 0.000 1.320 139 G CA -0.916 44.167 45.100 -0.029 0.000 0.860 139 G HN 0.249 nan 8.290 nan 0.000 0.538 140 Q N -0.072 119.714 119.800 -0.024 0.000 2.263 140 Q HA 0.264 4.617 4.340 0.022 0.000 0.289 140 Q C 1.242 177.213 176.000 -0.049 0.000 1.061 140 Q CA 0.541 56.329 55.803 -0.026 0.000 0.927 140 Q CB 0.360 29.095 28.738 -0.006 0.000 1.154 140 Q HN 0.526 nan 8.270 nan 0.000 0.378 141 Q N 3.128 122.886 119.800 -0.069 0.000 2.378 141 Q HA 0.129 4.483 4.340 0.022 0.000 0.229 141 Q C -0.110 175.849 176.000 -0.069 0.000 0.882 141 Q CA 0.623 56.375 55.803 -0.086 0.000 0.936 141 Q CB 0.874 29.532 28.738 -0.134 0.000 1.092 141 Q HN 0.662 nan 8.270 nan 0.000 0.535 142 R N -0.852 119.615 120.500 -0.056 0.000 2.739 142 R HA 0.472 4.825 4.340 0.022 0.000 0.271 142 R C 0.274 176.548 176.300 -0.042 0.000 1.010 142 R CA -0.149 55.925 56.100 -0.044 0.000 0.897 142 R CB 0.562 30.841 30.300 -0.036 0.000 1.236 142 R HN -0.111 nan 8.270 nan 0.000 0.466 143 S N -1.125 114.551 115.700 -0.040 0.000 2.535 143 S HA 0.040 4.523 4.470 0.022 0.000 0.214 143 S C 0.008 174.572 174.600 -0.061 0.000 0.980 143 S CA -0.053 58.117 58.200 -0.050 0.000 0.907 143 S CB -0.258 62.915 63.200 -0.045 0.000 0.790 143 S HN 0.696 nan 8.310 nan 0.000 0.510 144 E N 0.045 120.219 120.200 -0.042 0.000 2.352 144 E HA 0.588 4.951 4.350 0.022 0.000 0.280 144 E C -1.808 174.791 176.600 -0.002 0.000 0.930 144 E CA -1.145 55.235 56.400 -0.035 0.000 0.765 144 E CB 1.925 31.607 29.700 -0.031 0.000 1.219 144 E HN -0.029 nan 8.360 nan 0.000 0.434 145 V N 1.811 121.739 119.914 0.023 0.000 2.417 145 V HA 0.264 4.397 4.120 0.022 0.000 0.291 145 V C -0.015 176.132 176.094 0.088 0.000 1.024 145 V CA -0.706 61.637 62.300 0.071 0.000 0.861 145 V CB 1.297 33.188 31.823 0.113 0.000 0.985 145 V HN 0.770 nan 8.190 nan 0.000 0.436 146 E N 5.094 125.342 120.200 0.081 0.000 2.259 146 E HA 0.331 4.694 4.350 0.022 0.000 0.281 146 E C -0.663 175.999 176.600 0.104 0.000 1.037 146 E CA -0.588 55.861 56.400 0.082 0.000 0.854 146 E CB 0.657 30.390 29.700 0.055 0.000 1.051 146 E HN 0.485 nan 8.360 nan 0.000 0.409 147 M N 3.743 123.433 119.600 0.150 0.000 2.573 147 M HA 0.312 4.805 4.480 0.022 0.000 0.309 147 M C -0.339 176.019 176.300 0.095 0.000 1.202 147 M CA -1.031 54.365 55.300 0.161 0.000 0.975 147 M CB 0.763 33.547 32.600 0.307 0.000 1.600 147 M HN 0.390 nan 8.290 nan 0.000 0.479 148 L N -0.335 120.805 121.223 -0.138 0.000 2.331 148 L HA 0.964 5.317 4.340 0.022 0.000 0.268 148 L C 0.386 176.634 176.870 -1.035 0.000 1.015 148 L CA -0.740 53.834 54.840 -0.442 0.000 0.807 148 L CB 0.071 41.906 42.059 -0.373 0.000 1.293 148 L HN 0.702 nan 8.230 nan 0.000 0.451 149 G N -0.369 107.558 108.800 -1.456 0.000 2.356 149 G HA2 0.331 4.304 3.960 0.022 0.000 0.312 149 G HA3 0.331 4.304 3.960 0.022 0.000 0.312 149 G C -1.203 173.423 174.900 -0.458 0.000 1.096 149 G CA -0.188 43.985 45.100 -1.546 0.000 0.950 149 G HN 0.525 nan 8.290 nan 0.000 0.428 150 Y N 4.537 124.596 120.300 -0.402 0.000 2.636 150 Y HA 0.299 4.862 4.550 0.022 0.000 0.341 150 Y C 0.564 176.543 175.900 0.132 0.000 1.169 150 Y CA -1.302 56.717 58.100 -0.135 0.000 1.498 150 Y CB -0.135 38.290 38.460 -0.059 0.000 1.362 150 Y HN 0.278 nan 8.280 nan 0.000 0.494 151 L N 5.156 126.548 121.223 0.281 0.000 2.380 151 L HA 0.276 4.629 4.340 0.022 0.000 0.273 151 L C -0.525 176.392 176.870 0.078 0.000 1.138 151 L CA 0.065 55.061 54.840 0.261 0.000 0.832 151 L CB 0.517 42.581 42.059 0.009 0.000 1.124 151 L HN 0.330 nan 8.230 nan 0.000 0.454 152 F N 0.922 120.981 119.950 0.183 0.000 2.593 152 F HA 0.450 4.991 4.527 0.022 0.000 0.320 152 F C -0.128 175.571 175.800 -0.170 0.000 1.060 152 F CA -0.551 57.379 58.000 -0.116 0.000 0.940 152 F CB 1.678 40.426 39.000 -0.419 0.000 1.268 152 F HN 0.094 nan 8.300 nan 0.000 0.475 153 F N 1.999 122.046 119.950 0.160 0.000 2.467 153 F HA 0.428 4.968 4.527 0.021 0.000 0.362 153 F C -0.016 175.789 175.800 0.007 0.000 1.090 153 F CA -0.558 57.488 58.000 0.077 0.000 1.202 153 F CB 0.717 39.745 39.000 0.047 0.000 1.113 153 F HN -0.096 nan 8.300 nan 0.000 0.541 154 V N 4.217 124.233 119.914 0.170 0.000 2.384 154 V HA 0.529 4.662 4.120 0.022 0.000 0.287 154 V C 0.648 176.717 176.094 -0.042 0.000 1.020 154 V CA -1.011 61.277 62.300 -0.020 0.000 0.850 154 V CB 0.985 32.787 31.823 -0.035 0.000 0.987 154 V HN 0.895 nan 8.190 nan 0.000 0.436 155 G N 2.520 111.239 108.800 -0.135 0.000 2.667 155 G HA2 0.119 4.092 3.960 0.022 0.000 0.250 155 G HA3 0.119 4.092 3.960 0.022 0.000 0.250 155 G C 0.052 174.853 174.900 -0.165 0.000 1.212 155 G CA -0.345 44.670 45.100 -0.142 0.000 0.874 155 G HN 0.702 nan 8.290 nan 0.000 0.561 156 N N -0.127 118.497 118.700 -0.127 0.000 2.439 156 N HA 0.031 4.785 4.740 0.022 0.000 0.243 156 N C 1.910 177.323 175.510 -0.161 0.000 1.088 156 N CA -0.584 52.397 53.050 -0.115 0.000 0.940 156 N CB 0.615 39.066 38.487 -0.061 0.000 1.180 156 N HN 0.582 nan 8.380 nan 0.000 0.505 157 R N 3.251 123.608 120.500 -0.238 0.000 2.159 157 R HA -0.109 4.244 4.340 0.022 0.000 0.237 157 R C 0.645 176.898 176.300 -0.078 0.000 1.131 157 R CA 1.062 56.998 56.100 -0.273 0.000 0.982 157 R CB -0.255 29.889 30.300 -0.260 0.000 0.868 157 R HN 0.424 nan 8.270 nan 0.000 0.453 158 K N 0.872 121.234 120.400 -0.064 0.000 2.362 158 K HA 0.042 4.375 4.320 0.022 0.000 0.200 158 K C 1.837 178.420 176.600 -0.028 0.000 1.046 158 K CA 0.980 57.247 56.287 -0.034 0.000 0.952 158 K CB 0.060 32.543 32.500 -0.028 0.000 0.753 158 K HN 0.283 nan 8.250 nan 0.000 0.466 159 A N 1.899 124.700 122.820 -0.032 0.000 2.235 159 A HA -0.036 4.297 4.320 0.022 0.000 0.208 159 A C 1.136 178.722 177.584 0.004 0.000 1.172 159 A CA 0.830 52.861 52.037 -0.009 0.000 0.786 159 A CB -0.338 18.657 19.000 -0.008 0.000 0.804 159 A HN 0.398 nan 8.150 nan 0.000 0.479 160 T N -4.975 109.560 114.554 -0.032 0.000 2.888 160 T HA 0.606 4.969 4.350 0.022 0.000 0.288 160 T C -2.744 171.843 174.700 -0.187 0.000 1.063 160 T CA -1.342 60.677 62.100 -0.135 0.000 1.010 160 T CB 2.118 70.920 68.868 -0.109 0.000 1.214 160 T HN -0.068 nan 8.240 nan 0.000 0.533 161 P HA 0.363 nan 4.420 nan 0.000 0.274 161 P C 0.057 177.173 177.300 -0.308 0.000 1.352 161 P CA -0.259 62.661 63.100 -0.299 0.000 0.947 161 P CB 0.105 31.601 31.700 -0.341 0.000 1.437 162 L N 2.425 123.435 121.223 -0.356 0.000 2.397 162 L HA 0.232 4.585 4.340 0.022 0.000 0.271 162 L C -1.483 175.193 176.870 -0.323 0.000 1.148 162 L CA -1.916 52.689 54.840 -0.392 0.000 0.825 162 L CB 0.150 41.880 42.059 -0.548 0.000 1.117 162 L HN -0.193 nan 8.230 nan 0.000 0.456 163 P HA 0.044 nan 4.420 nan 0.000 0.228 163 P C -0.997 176.089 177.300 -0.357 0.000 1.748 163 P CA -0.059 62.887 63.100 -0.257 0.000 0.909 163 P CB -0.580 31.059 31.700 -0.102 0.000 1.882 164 Y N 1.650 121.821 120.300 -0.214 0.000 2.480 164 Y HA 0.041 4.604 4.550 0.022 0.000 0.341 164 Y C 1.760 177.585 175.900 -0.124 0.000 1.031 164 Y CA -0.689 57.305 58.100 -0.176 0.000 1.295 164 Y CB 0.478 38.856 38.460 -0.137 0.000 1.162 164 Y HN 0.229 nan 8.280 nan 0.000 0.523 165 Q N 2.177 121.998 119.800 0.035 0.000 2.624 165 Q HA 0.226 4.579 4.340 0.022 0.000 0.256 165 Q C -0.350 175.463 176.000 -0.312 0.000 1.119 165 Q CA -0.058 55.664 55.803 -0.136 0.000 0.995 165 Q CB 0.778 29.384 28.738 -0.221 0.000 1.318 165 Q HN 0.673 nan 8.270 nan 0.000 0.534 166 S N -0.868 114.519 115.700 -0.522 0.000 2.587 166 S HA 0.465 4.948 4.470 0.022 0.000 0.269 166 S C -0.878 173.380 174.600 -0.570 0.000 1.154 166 S CA -0.935 56.825 58.200 -0.734 0.000 0.824 166 S CB 1.369 64.402 63.200 -0.278 0.000 1.118 166 S HN 0.619 nan 8.310 nan 0.000 0.462 167 Q N 0.420 119.990 119.800 -0.383 0.000 2.632 167 Q HA 0.279 4.632 4.340 0.022 0.000 0.352 167 Q C -2.237 173.743 176.000 -0.033 0.000 0.821 167 Q CA -1.757 53.960 55.803 -0.142 0.000 1.060 167 Q CB 1.158 29.865 28.738 -0.053 0.000 1.429 167 Q HN 0.518 nan 8.270 nan 0.000 0.391 168 P HA -0.225 nan 4.420 nan 0.000 0.218 168 P C 0.264 177.564 177.300 -0.001 0.000 1.154 168 P CA 1.537 64.627 63.100 -0.016 0.000 0.872 168 P CB 0.223 31.906 31.700 -0.028 0.000 0.790 169 D N -1.233 119.165 120.400 -0.004 0.000 2.328 169 D HA 0.007 4.660 4.640 0.022 0.000 0.221 169 D C 0.435 176.747 176.300 0.019 0.000 1.072 169 D CA 0.176 54.178 54.000 0.005 0.000 0.850 169 D CB -0.299 40.500 40.800 -0.001 0.000 0.922 169 D HN 0.248 nan 8.370 nan 0.000 0.516 170 D N 0.680 121.101 120.400 0.034 0.000 2.424 170 D HA 0.093 4.746 4.640 0.022 0.000 0.244 170 D C 1.362 177.694 176.300 0.054 0.000 1.134 170 D CA 0.110 54.150 54.000 0.065 0.000 0.881 170 D CB 1.322 42.197 40.800 0.124 0.000 1.191 170 D HN 0.083 nan 8.370 nan 0.000 0.445 171 S N 2.982 118.712 115.700 0.049 0.000 2.474 171 S HA -0.087 4.396 4.470 0.022 0.000 0.235 171 S C 1.304 175.906 174.600 0.004 0.000 0.997 171 S CA 0.274 58.489 58.200 0.024 0.000 0.949 171 S CB -0.059 63.153 63.200 0.020 0.000 0.766 171 S HN 0.565 nan 8.310 nan 0.000 0.517 172 C N 2.344 121.648 119.300 0.007 0.000 2.373 172 C HA 0.370 4.843 4.460 0.022 0.000 0.354 172 C C 1.069 176.028 174.990 -0.051 0.000 1.249 172 C CA -0.948 58.012 59.018 -0.097 0.000 1.784 172 C CB -0.894 26.646 27.740 -0.333 0.000 2.408 172 C HN 0.541 nan 8.230 nan 0.000 0.542 173 D N 3.005 123.386 120.400 -0.032 0.000 2.106 173 D HA -0.170 4.483 4.640 0.022 0.000 0.191 173 D C 1.712 178.032 176.300 0.033 0.000 0.997 173 D CA 1.602 55.613 54.000 0.019 0.000 0.834 173 D CB -0.338 40.492 40.800 0.050 0.000 0.956 173 D HN 0.924 nan 8.370 nan 0.000 0.448 174 W N 0.759 121.983 121.300 -0.126 0.000 2.317 174 W HA -0.326 4.347 4.660 0.022 0.000 0.318 174 W C 1.683 178.231 176.519 0.048 0.000 1.227 174 W CA 1.146 58.434 57.345 -0.095 0.000 1.269 174 W CB -0.548 28.796 29.460 -0.192 0.000 1.155 174 W HN 0.037 nan 8.180 nan 0.000 0.484 175 Y N 0.611 120.702 120.300 -0.349 0.000 2.274 175 Y HA -0.148 4.415 4.550 0.021 0.000 0.290 175 Y C 2.827 178.594 175.900 -0.222 0.000 1.145 175 Y CA 1.530 59.412 58.100 -0.363 0.000 1.203 175 Y CB -1.338 37.076 38.460 -0.077 0.000 0.984 175 Y HN 0.075 nan 8.280 nan 0.000 0.533 176 R N 0.204 120.718 120.500 0.023 0.000 2.057 176 R HA -0.026 4.327 4.340 0.022 0.000 0.224 176 R C 2.119 178.414 176.300 -0.007 0.000 1.136 176 R CA 0.748 56.881 56.100 0.055 0.000 0.968 176 R CB -0.492 29.833 30.300 0.042 0.000 0.863 176 R HN 0.306 nan 8.270 nan 0.000 0.433 177 L N 1.594 122.759 121.223 -0.096 0.000 2.265 177 L HA -0.112 4.241 4.340 0.022 0.000 0.215 177 L C 2.469 179.212 176.870 -0.211 0.000 1.117 177 L CA 1.119 55.900 54.840 -0.098 0.000 0.782 177 L CB -0.391 41.647 42.059 -0.034 0.000 0.914 177 L HN 0.250 nan 8.230 nan 0.000 0.441 178 R N -0.750 119.429 120.500 -0.535 0.000 2.339 178 R HA -0.101 4.252 4.340 0.022 0.000 0.199 178 R C 1.003 177.034 176.300 -0.447 0.000 1.018 178 R CA 0.978 56.682 56.100 -0.661 0.000 1.036 178 R CB -0.338 29.128 30.300 -1.389 0.000 0.899 178 R HN 0.507 nan 8.270 nan 0.000 0.473 179 H N -0.238 118.770 119.070 -0.104 0.000 2.755 179 H HA 0.274 4.844 4.556 0.022 0.000 0.273 179 H C -0.322 174.954 175.328 -0.087 0.000 1.055 179 H CA -0.293 55.708 56.048 -0.079 0.000 1.191 179 H CB 0.760 30.476 29.762 -0.078 0.000 1.536 179 H HN 0.151 nan 8.280 nan 0.000 0.529 180 E N 1.783 121.998 120.200 0.025 0.000 2.216 180 E HA 0.093 4.456 4.350 0.022 0.000 0.279 180 E C 0.206 176.803 176.600 -0.005 0.000 0.997 180 E CA -0.469 55.934 56.400 0.005 0.000 0.817 180 E CB 1.971 31.679 29.700 0.014 0.000 1.096 180 E HN 0.333 nan 8.360 nan 0.000 0.393 181 E N 1.344 121.532 120.200 -0.019 0.000 2.653 181 E HA 0.096 4.459 4.350 0.022 0.000 0.264 181 E C -1.158 175.467 176.600 0.042 0.000 0.949 181 E CA 0.182 56.578 56.400 -0.007 0.000 0.953 181 E CB 0.354 30.044 29.700 -0.015 0.000 0.925 181 E HN 0.459 nan 8.360 nan 0.000 0.475 182 A N 6.205 129.075 122.820 0.083 0.000 2.547 182 A HA 0.372 4.705 4.320 0.022 0.000 0.279 182 A C -0.353 177.390 177.584 0.265 0.000 1.088 182 A CA -0.670 51.453 52.037 0.143 0.000 0.796 182 A CB 1.040 20.121 19.000 0.135 0.000 1.308 182 A HN 0.624 nan 8.150 nan 0.000 0.415 183 M N 1.707 121.455 119.600 0.247 0.000 2.540 183 M HA 0.163 4.656 4.480 0.022 0.000 0.404 183 M C 0.286 176.729 176.300 0.239 0.000 1.133 183 M CA 0.391 55.847 55.300 0.260 0.000 0.900 183 M CB 0.123 32.755 32.600 0.053 0.000 1.540 183 M HN 0.872 nan 8.290 nan 0.000 0.539 184 T N -3.121 111.607 114.554 0.290 0.000 2.896 184 T HA 0.562 4.925 4.350 0.022 0.000 0.297 184 T C -2.575 172.260 174.700 0.225 0.000 1.108 184 T CA -1.370 60.865 62.100 0.225 0.000 1.004 184 T CB 3.007 71.946 68.868 0.118 0.000 1.159 184 T HN -0.259 nan 8.240 nan 0.000 0.499 185 P HA -0.078 nan 4.420 nan 0.000 0.214 185 P C 0.965 178.311 177.300 0.077 0.000 1.163 185 P CA 1.271 64.445 63.100 0.123 0.000 0.889 185 P CB -0.071 31.691 31.700 0.103 0.000 0.790 186 D N -0.690 119.752 120.400 0.070 0.000 2.158 186 D HA -0.153 4.500 4.640 0.022 0.000 0.197 186 D C 1.976 178.310 176.300 0.056 0.000 0.995 186 D CA 1.771 55.802 54.000 0.052 0.000 0.846 186 D CB -0.859 39.968 40.800 0.045 0.000 0.941 186 D HN 0.120 nan 8.370 nan 0.000 0.456 187 A N 0.107 122.972 122.820 0.075 0.000 2.014 187 A HA -0.040 4.293 4.320 0.022 0.000 0.218 187 A C 2.435 180.062 177.584 0.072 0.000 1.163 187 A CA 0.675 52.760 52.037 0.079 0.000 0.652 187 A CB -0.329 18.731 19.000 0.100 0.000 0.808 187 A HN 0.143 nan 8.150 nan 0.000 0.449 188 V N -0.696 119.245 119.914 0.045 0.000 2.323 188 V HA -0.169 3.964 4.120 0.022 0.000 0.244 188 V C 2.534 178.619 176.094 -0.016 0.000 1.041 188 V CA 1.745 64.029 62.300 -0.027 0.000 1.025 188 V CB -0.497 31.243 31.823 -0.138 0.000 0.656 188 V HN 0.337 nan 8.190 nan 0.000 0.451 189 V N 0.451 120.367 119.914 0.003 0.000 2.392 189 V HA -0.299 3.834 4.120 0.022 0.000 0.249 189 V C 3.078 179.208 176.094 0.061 0.000 1.059 189 V CA 2.637 64.951 62.300 0.023 0.000 1.051 189 V CB -1.033 30.807 31.823 0.027 0.000 0.658 189 V HN 0.668 nan 8.190 nan 0.000 0.455 190 R N -0.575 119.965 120.500 0.066 0.000 2.075 190 R HA -0.101 4.252 4.340 0.022 0.000 0.232 190 R C 2.093 178.472 176.300 0.132 0.000 1.126 190 R CA 1.830 57.983 56.100 0.089 0.000 0.963 190 R CB -1.147 29.199 30.300 0.076 0.000 0.858 190 R HN 0.433 nan 8.270 nan 0.000 0.435 191 L N 0.403 121.706 121.223 0.133 0.000 2.012 191 L HA 0.014 4.367 4.340 0.022 0.000 0.210 191 L C 2.876 179.867 176.870 0.202 0.000 1.073 191 L CA 2.181 57.149 54.840 0.214 0.000 0.748 191 L CB -0.841 41.333 42.059 0.191 0.000 0.891 191 L HN 0.472 nan 8.230 nan 0.000 0.431 192 A N -1.140 121.703 122.820 0.039 0.000 1.877 192 A HA -0.224 4.109 4.320 0.022 0.000 0.216 192 A C 2.167 179.838 177.584 0.146 0.000 1.186 192 A CA 1.679 53.622 52.037 -0.156 0.000 0.620 192 A CB -0.619 18.000 19.000 -0.635 0.000 0.822 192 A HN 0.549 nan 8.150 nan 0.000 0.443 193 E N -0.262 120.102 120.200 0.272 0.000 2.097 193 E HA -0.183 4.180 4.350 0.022 0.000 0.196 193 E C 2.303 179.105 176.600 0.335 0.000 1.000 193 E CA 1.090 57.711 56.400 0.367 0.000 0.804 193 E CB -0.300 29.517 29.700 0.196 0.000 0.740 193 E HN 0.633 nan 8.360 nan 0.000 0.454 194 A N 1.372 124.358 122.820 0.276 0.000 1.877 194 A HA -0.115 4.218 4.320 0.022 0.000 0.216 194 A C 2.405 180.137 177.584 0.247 0.000 1.186 194 A CA 1.706 53.913 52.037 0.283 0.000 0.620 194 A CB -0.710 18.495 19.000 0.341 0.000 0.822 194 A HN 0.305 nan 8.150 nan 0.000 0.443 195 A N -1.514 121.426 122.820 0.200 0.000 1.933 195 A HA -0.130 4.204 4.320 0.022 0.000 0.218 195 A C 2.121 179.828 177.584 0.205 0.000 1.175 195 A CA 1.761 53.779 52.037 -0.031 0.000 0.628 195 A CB -0.818 18.091 19.000 -0.151 0.000 0.814 195 A HN 0.766 nan 8.150 nan 0.000 0.444 196 Y N 0.684 121.137 120.300 0.254 0.000 2.097 196 Y HA -0.233 4.330 4.550 0.022 0.000 0.282 196 Y C 2.369 178.307 175.900 0.065 0.000 1.152 196 Y CA 2.278 60.531 58.100 0.255 0.000 1.136 196 Y CB -0.387 38.344 38.460 0.452 0.000 0.975 196 Y HN 0.524 nan 8.280 nan 0.000 0.498 197 E N 0.095 120.264 120.200 -0.052 0.000 2.077 197 E HA -0.301 4.063 4.350 0.022 0.000 0.193 197 E C 2.088 178.476 176.600 -0.353 0.000 0.989 197 E CA 1.706 57.968 56.400 -0.230 0.000 0.800 197 E CB -0.178 29.503 29.700 -0.032 0.000 0.746 197 E HN 0.370 nan 8.360 nan 0.000 0.452 198 K N -0.400 119.772 120.400 -0.380 0.000 2.116 198 K HA -0.103 4.230 4.320 0.022 0.000 0.203 198 K C 0.992 177.071 176.600 -0.869 0.000 1.052 198 K CA 1.414 57.303 56.287 -0.663 0.000 0.952 198 K CB -0.137 31.863 32.500 -0.834 0.000 0.729 198 K HN 0.262 nan 8.250 nan 0.000 0.446 199 Y N -1.576 118.423 120.300 -0.501 0.000 2.471 199 Y HA 0.316 4.880 4.550 0.022 0.000 0.249 199 Y C 0.968 176.379 175.900 -0.816 0.000 1.116 199 Y CA -0.231 57.449 58.100 -0.700 0.000 1.240 199 Y CB 1.155 39.009 38.460 -1.011 0.000 1.251 199 Y HN 0.140 nan 8.280 nan 0.000 0.527 200 G N 1.000 109.443 108.800 -0.595 0.000 2.221 200 G HA2 -0.322 3.651 3.960 0.022 0.000 0.265 200 G HA3 -0.322 3.651 3.960 0.022 0.000 0.265 200 G C -0.181 174.572 174.900 -0.246 0.000 1.041 200 G CA -0.265 44.522 45.100 -0.522 0.000 0.807 200 G HN 0.163 nan 8.290 nan 0.000 0.502 201 F N 0.086 120.057 119.950 0.036 0.000 2.595 201 F HA 0.191 4.731 4.527 0.022 0.000 0.359 201 F C 1.647 177.399 175.800 -0.080 0.000 1.147 201 F CA 0.384 58.301 58.000 -0.139 0.000 1.341 201 F CB 0.431 39.095 39.000 -0.560 0.000 1.104 201 F HN 0.083 nan 8.300 nan 0.000 0.603 202 N N 0.394 119.095 118.700 0.002 0.000 2.407 202 N HA 0.027 4.780 4.740 0.022 0.000 0.182 202 N C -0.542 174.834 175.510 -0.225 0.000 1.079 202 N CA 0.326 53.370 53.050 -0.011 0.000 0.882 202 N CB 0.354 38.863 38.487 0.037 0.000 1.106 202 N HN 0.495 nan 8.380 nan 0.000 0.461 203 D N -0.155 119.983 120.400 -0.436 0.000 2.433 203 D HA 0.497 5.150 4.640 0.022 0.000 0.236 203 D C -0.709 174.983 176.300 -1.013 0.000 1.026 203 D CA -0.223 53.482 54.000 -0.492 0.000 0.884 203 D CB 1.696 42.374 40.800 -0.203 0.000 1.384 203 D HN -0.167 nan 8.370 nan 0.000 0.477 204 F N -0.075 119.728 119.950 -0.245 0.000 2.643 204 F HA 0.451 4.991 4.527 0.021 0.000 0.314 204 F C 0.143 175.764 175.800 -0.299 0.000 1.096 204 F CA -0.984 56.817 58.000 -0.333 0.000 0.953 204 F CB 2.216 41.005 39.000 -0.353 0.000 1.345 204 F HN -0.055 nan 8.300 nan 0.000 0.468 205 K N 1.291 121.626 120.400 -0.110 0.000 2.426 205 K HA 0.755 5.088 4.320 0.022 0.000 0.251 205 K C -2.253 174.260 176.600 -0.145 0.000 0.941 205 K CA -0.839 55.319 56.287 -0.215 0.000 0.808 205 K CB 2.403 34.630 32.500 -0.455 0.000 1.265 205 K HN 0.607 nan 8.250 nan 0.000 0.432 206 L N 3.686 124.816 121.223 -0.156 0.000 2.343 206 L HA 0.431 4.784 4.340 0.022 0.000 0.278 206 L C -0.956 175.820 176.870 -0.157 0.000 0.996 206 L CA -0.443 54.296 54.840 -0.168 0.000 0.831 206 L CB 1.225 43.184 42.059 -0.167 0.000 1.232 206 L HN 0.590 nan 8.230 nan 0.000 0.413 207 K N 3.359 123.595 120.400 -0.273 0.000 2.416 207 K HA 0.565 4.898 4.320 0.022 0.000 0.283 207 K C 0.199 176.805 176.600 0.011 0.000 1.037 207 K CA 0.594 56.745 56.287 -0.228 0.000 0.995 207 K CB 0.567 32.662 32.500 -0.675 0.000 0.938 207 K HN 0.797 nan 8.250 nan 0.000 0.475 208 G N 1.498 110.339 108.800 0.069 0.000 2.971 208 G HA2 0.496 4.469 3.960 0.022 0.000 0.235 208 G HA3 0.496 4.469 3.960 0.022 0.000 0.235 208 G C 0.287 175.259 174.900 0.121 0.000 1.351 208 G CA -0.601 44.606 45.100 0.179 0.000 1.039 208 G HN 1.092 nan 8.290 nan 0.000 0.563 209 G N -2.383 106.476 108.800 0.098 0.000 2.160 209 G HA2 -0.167 3.806 3.960 0.022 0.000 0.251 209 G HA3 -0.167 3.806 3.960 0.022 0.000 0.251 209 G C 0.679 175.664 174.900 0.141 0.000 1.008 209 G CA 0.800 45.947 45.100 0.078 0.000 0.724 209 G HN 1.107 nan 8.290 nan 0.000 0.514 210 V N -0.620 119.370 119.914 0.126 0.000 2.721 210 V HA 0.428 4.561 4.120 0.022 0.000 0.236 210 V C 1.653 177.739 176.094 -0.014 0.000 1.116 210 V CA 1.564 63.895 62.300 0.051 0.000 1.148 210 V CB -0.074 31.757 31.823 0.014 0.000 0.886 210 V HN 0.351 nan 8.190 nan 0.000 0.490 211 L N -0.557 120.617 121.223 -0.081 0.000 2.341 211 L HA 0.782 5.136 4.340 0.022 0.000 0.267 211 L C 0.373 177.269 176.870 0.043 0.000 1.022 211 L CA -0.853 53.941 54.840 -0.077 0.000 0.844 211 L CB 0.716 42.644 42.059 -0.218 0.000 1.436 211 L HN 0.139 nan 8.230 nan 0.000 0.483 212 A N 0.019 122.851 122.820 0.020 0.000 2.511 212 A HA 0.324 4.657 4.320 0.022 0.000 0.242 212 A C 1.226 178.849 177.584 0.065 0.000 1.069 212 A CA 0.432 52.493 52.037 0.040 0.000 0.763 212 A CB 0.033 19.024 19.000 -0.015 0.000 1.001 212 A HN 0.920 nan 8.150 nan 0.000 0.498 213 G N 0.641 109.478 108.800 0.061 0.000 2.491 213 G HA2 -0.238 3.735 3.960 0.022 0.000 0.218 213 G HA3 -0.238 3.735 3.960 0.022 0.000 0.218 213 G C 1.189 175.994 174.900 -0.158 0.000 1.180 213 G CA 1.074 46.127 45.100 -0.077 0.000 0.774 213 G HN 0.814 nan 8.290 nan 0.000 0.562 214 E N 0.310 120.378 120.200 -0.220 0.000 2.160 214 E HA -0.166 4.197 4.350 0.022 0.000 0.195 214 E C 2.319 178.880 176.600 -0.065 0.000 0.991 214 E CA 1.384 57.673 56.400 -0.185 0.000 0.810 214 E CB -0.056 29.497 29.700 -0.246 0.000 0.742 214 E HN 0.770 nan 8.360 nan 0.000 0.466 215 E N 1.183 121.368 120.200 -0.026 0.000 2.028 215 E HA -0.160 4.203 4.350 0.022 0.000 0.190 215 E C 1.750 178.409 176.600 0.098 0.000 0.984 215 E CA 1.155 57.566 56.400 0.019 0.000 0.800 215 E CB -0.029 29.664 29.700 -0.011 0.000 0.758 215 E HN 0.176 nan 8.360 nan 0.000 0.448 216 E N 0.170 120.456 120.200 0.143 0.000 2.267 216 E HA -0.223 4.140 4.350 0.022 0.000 0.197 216 E C 1.955 178.717 176.600 0.272 0.000 0.998 216 E CA 0.686 57.266 56.400 0.299 0.000 0.830 216 E CB -0.175 29.758 29.700 0.389 0.000 0.751 216 E HN 0.451 nan 8.360 nan 0.000 0.491 217 A N 1.571 124.510 122.820 0.198 0.000 1.940 217 A HA -0.226 4.107 4.320 0.022 0.000 0.219 217 A C 1.923 179.639 177.584 0.220 0.000 1.176 217 A CA 1.274 53.444 52.037 0.222 0.000 0.631 217 A CB -0.222 18.944 19.000 0.276 0.000 0.814 217 A HN 0.078 nan 8.150 nan 0.000 0.446 218 E N 0.313 120.631 120.200 0.197 0.000 2.153 218 E HA -0.105 4.258 4.350 0.022 0.000 0.194 218 E C 2.238 178.916 176.600 0.129 0.000 0.988 218 E CA 1.269 57.766 56.400 0.162 0.000 0.811 218 E CB -0.649 29.128 29.700 0.129 0.000 0.746 218 E HN 0.546 nan 8.360 nan 0.000 0.466 219 S N 0.705 116.501 115.700 0.161 0.000 2.382 219 S HA -0.089 4.394 4.470 0.022 0.000 0.228 219 S C 1.893 176.527 174.600 0.058 0.000 1.027 219 S CA 0.579 58.852 58.200 0.122 0.000 0.991 219 S CB -0.025 63.274 63.200 0.164 0.000 0.823 219 S HN 0.163 nan 8.310 nan 0.000 0.469 220 I N 1.086 121.700 120.570 0.072 0.000 2.233 220 I HA -0.061 4.122 4.170 0.022 0.000 0.243 220 I C 2.299 178.421 176.117 0.009 0.000 1.093 220 I CA 0.889 62.207 61.300 0.031 0.000 1.380 220 I CB -1.562 36.466 38.000 0.047 0.000 1.067 220 I HN 0.137 nan 8.210 nan 0.000 0.413 221 V N 1.655 121.576 119.914 0.012 0.000 2.332 221 V HA -0.303 3.830 4.120 0.022 0.000 0.248 221 V C 2.871 178.965 176.094 -0.000 0.000 1.055 221 V CA 1.893 64.180 62.300 -0.020 0.000 1.038 221 V CB -1.235 30.582 31.823 -0.011 0.000 0.651 221 V HN 0.454 nan 8.190 nan 0.000 0.450 222 A N -0.269 122.564 122.820 0.021 0.000 1.851 222 A HA -0.223 4.110 4.320 0.022 0.000 0.216 222 A C 2.257 179.851 177.584 0.017 0.000 1.195 222 A CA 2.213 54.262 52.037 0.019 0.000 0.622 222 A CB -0.695 18.325 19.000 0.034 0.000 0.831 222 A HN 0.471 nan 8.150 nan 0.000 0.444 223 L N -0.890 120.342 121.223 0.015 0.000 2.017 223 L HA -0.224 4.129 4.340 0.022 0.000 0.208 223 L C 3.135 180.062 176.870 0.097 0.000 1.073 223 L CA 1.160 56.023 54.840 0.038 0.000 0.745 223 L CB -0.522 41.497 42.059 -0.067 0.000 0.894 223 L HN 0.474 nan 8.230 nan 0.000 0.432 224 A N -0.677 122.170 122.820 0.045 0.000 1.948 224 A HA -0.286 4.047 4.320 0.022 0.000 0.220 224 A C 2.164 179.774 177.584 0.042 0.000 1.177 224 A CA 1.838 53.905 52.037 0.050 0.000 0.636 224 A CB -0.448 18.557 19.000 0.007 0.000 0.815 224 A HN 0.538 nan 8.150 nan 0.000 0.449 225 Q N -1.439 118.368 119.800 0.012 0.000 2.020 225 Q HA -0.160 4.193 4.340 0.022 0.000 0.198 225 Q C 2.395 178.357 176.000 -0.062 0.000 0.974 225 Q CA 1.465 57.255 55.803 -0.021 0.000 0.829 225 Q CB -0.209 28.513 28.738 -0.028 0.000 0.894 225 Q HN 0.554 nan 8.270 nan 0.000 0.433 226 R N 0.611 121.063 120.500 -0.080 0.000 2.096 226 R HA -0.096 4.257 4.340 0.022 0.000 0.235 226 R C -0.124 175.901 176.300 -0.459 0.000 1.127 226 R CA 1.342 57.277 56.100 -0.275 0.000 0.968 226 R CB -0.103 30.027 30.300 -0.283 0.000 0.861 226 R HN 0.108 nan 8.270 nan 0.000 0.440 227 F N 1.363 121.260 119.950 -0.090 0.000 2.389 227 F HA 0.387 4.927 4.527 0.022 0.000 0.327 227 F C -1.573 174.217 175.800 -0.015 0.000 1.204 227 F CA -2.535 55.433 58.000 -0.053 0.000 1.209 227 F CB 1.718 40.717 39.000 -0.002 0.000 1.460 227 F HN 0.044 nan 8.300 nan 0.000 0.537 228 P HA -0.197 nan 4.420 nan 0.000 0.222 228 P C 0.349 177.693 177.300 0.075 0.000 1.142 228 P CA 1.511 64.645 63.100 0.058 0.000 0.788 228 P CB 0.269 31.976 31.700 0.012 0.000 0.767 229 Q N -1.286 118.578 119.800 0.106 0.000 2.155 229 Q HA 0.433 4.786 4.340 0.022 0.000 0.220 229 Q C 0.326 176.392 176.000 0.109 0.000 0.819 229 Q CA -0.472 55.386 55.803 0.091 0.000 1.032 229 Q CB 0.878 29.659 28.738 0.072 0.000 1.151 229 Q HN 0.109 nan 8.270 nan 0.000 0.487 230 A N 1.103 124.012 122.820 0.149 0.000 2.293 230 A HA 0.544 4.877 4.320 0.022 0.000 0.302 230 A C -0.348 177.286 177.584 0.084 0.000 1.119 230 A CA -0.470 51.644 52.037 0.129 0.000 0.823 230 A CB 0.660 19.794 19.000 0.224 0.000 1.097 230 A HN 0.221 nan 8.150 nan 0.000 0.491 231 R N 0.509 121.038 120.500 0.049 0.000 2.254 231 R HA 0.570 4.923 4.340 0.022 0.000 0.318 231 R C -1.187 175.114 176.300 0.003 0.000 1.031 231 R CA 0.120 56.248 56.100 0.047 0.000 0.905 231 R CB 0.670 31.018 30.300 0.081 0.000 1.050 231 R HN 0.658 nan 8.270 nan 0.000 0.456 232 I N 0.712 121.251 120.570 -0.052 0.000 2.730 232 I HA 0.324 4.507 4.170 0.022 0.000 0.298 232 I C -0.064 175.855 176.117 -0.331 0.000 1.089 232 I CA -0.484 60.742 61.300 -0.124 0.000 1.041 232 I CB 2.638 40.611 38.000 -0.044 0.000 1.235 232 I HN 0.439 nan 8.210 nan 0.000 0.423 233 T N 4.728 119.040 114.554 -0.404 0.000 2.906 233 T HA 0.692 5.055 4.350 0.022 0.000 0.295 233 T C -1.721 172.839 174.700 -0.233 0.000 1.075 233 T CA -0.449 61.355 62.100 -0.493 0.000 1.005 233 T CB 1.506 69.778 68.868 -0.993 0.000 1.136 233 T HN 0.369 nan 8.240 nan 0.000 0.498 234 L N 3.331 124.470 121.223 -0.140 0.000 2.356 234 L HA 0.738 5.091 4.340 0.022 0.000 0.277 234 L C -1.292 175.536 176.870 -0.070 0.000 0.996 234 L CA -0.370 54.452 54.840 -0.031 0.000 0.822 234 L CB 1.777 43.912 42.059 0.126 0.000 1.256 234 L HN 0.563 nan 8.230 nan 0.000 0.413 235 D N 6.539 126.884 120.400 -0.092 0.000 2.446 235 D HA 0.460 5.113 4.640 0.022 0.000 0.251 235 D C -2.204 173.988 176.300 -0.182 0.000 1.137 235 D CA -1.989 51.931 54.000 -0.133 0.000 0.890 235 D CB 1.771 42.535 40.800 -0.060 0.000 1.071 235 D HN 0.382 nan 8.370 nan 0.000 0.528 236 P HA 0.123 nan 4.420 nan 0.000 0.257 236 P C -0.646 176.444 177.300 -0.350 0.000 1.281 236 P CA -0.032 62.749 63.100 -0.533 0.000 0.826 236 P CB -0.253 30.578 31.700 -1.448 0.000 1.237 237 N N -0.053 118.517 118.700 -0.217 0.000 2.727 237 N HA -0.185 4.568 4.740 0.022 0.000 0.249 237 N C 0.940 176.377 175.510 -0.122 0.000 1.048 237 N CA 0.802 53.796 53.050 -0.094 0.000 0.714 237 N CB -1.728 36.779 38.487 0.034 0.000 0.959 237 N HN 0.351 nan 8.380 nan 0.000 0.544 238 G N -1.799 106.867 108.800 -0.222 0.000 2.189 238 G HA2 -0.322 3.651 3.960 0.022 0.000 0.267 238 G HA3 -0.322 3.651 3.960 0.022 0.000 0.267 238 G C 1.203 176.008 174.900 -0.159 0.000 0.975 238 G CA 0.870 45.866 45.100 -0.173 0.000 0.644 238 G HN 0.954 nan 8.290 nan 0.000 0.537 239 A N -0.374 122.304 122.820 -0.236 0.000 1.908 239 A HA 0.175 4.508 4.320 0.022 0.000 0.218 239 A C 1.347 178.933 177.584 0.003 0.000 1.181 239 A CA 1.419 53.373 52.037 -0.137 0.000 0.627 239 A CB -0.386 18.525 19.000 -0.148 0.000 0.818 239 A HN 0.695 nan 8.150 nan 0.000 0.445 240 W N 1.131 122.431 121.300 -0.000 0.000 2.158 240 W HA 0.394 5.066 4.660 0.020 0.000 0.339 240 W C 1.077 177.598 176.519 0.004 0.000 1.294 240 W CA -0.576 56.771 57.345 0.003 0.000 1.231 240 W CB -0.362 29.104 29.460 0.010 0.000 1.143 240 W HN 0.389 nan 8.180 nan 0.000 0.571 241 S N 1.849 117.706 115.700 0.262 0.000 2.589 241 S HA 0.055 4.538 4.470 0.022 0.000 0.265 241 S C 0.887 175.597 174.600 0.182 0.000 1.342 241 S CA -0.453 57.843 58.200 0.160 0.000 1.005 241 S CB 0.903 64.167 63.200 0.107 0.000 0.909 241 S HN 0.458 nan 8.310 nan 0.000 0.555 242 L N 2.277 123.583 121.223 0.140 0.000 2.046 242 L HA -0.040 4.313 4.340 0.022 0.000 0.208 242 L C 2.015 178.981 176.870 0.161 0.000 1.077 242 L CA 2.000 56.939 54.840 0.164 0.000 0.747 242 L CB -1.302 40.822 42.059 0.108 0.000 0.896 242 L HN 0.875 nan 8.230 nan 0.000 0.432 243 N N -0.646 118.113 118.700 0.098 0.000 2.166 243 N HA -0.227 4.526 4.740 0.022 0.000 0.186 243 N C 1.699 177.243 175.510 0.058 0.000 1.019 243 N CA 1.288 54.377 53.050 0.065 0.000 0.856 243 N CB -0.107 38.400 38.487 0.032 0.000 0.993 243 N HN 0.671 nan 8.380 nan 0.000 0.426 244 E N 1.247 121.481 120.200 0.057 0.000 2.047 244 E HA -0.152 4.211 4.350 0.022 0.000 0.191 244 E C 2.044 178.634 176.600 -0.017 0.000 0.987 244 E CA 1.143 57.529 56.400 -0.022 0.000 0.799 244 E CB -0.258 29.395 29.700 -0.079 0.000 0.752 244 E HN 0.271 nan 8.360 nan 0.000 0.449 245 A N 1.972 124.907 122.820 0.192 0.000 1.892 245 A HA -0.177 4.156 4.320 0.022 0.000 0.218 245 A C 2.334 180.191 177.584 0.456 0.000 1.188 245 A CA 1.763 54.040 52.037 0.400 0.000 0.631 245 A CB -0.838 18.449 19.000 0.479 0.000 0.822 245 A HN 0.319 nan 8.150 nan 0.000 0.447 246 I N -0.484 120.291 120.570 0.342 0.000 2.163 246 I HA -0.309 3.874 4.170 0.022 0.000 0.243 246 I C 2.565 178.722 176.117 0.067 0.000 1.085 246 I CA 2.036 63.422 61.300 0.142 0.000 1.347 246 I CB -0.283 37.740 38.000 0.038 0.000 1.044 246 I HN 0.437 nan 8.210 nan 0.000 0.408 247 K N 1.555 121.975 120.400 0.033 0.000 2.063 247 K HA -0.192 4.141 4.320 0.022 0.000 0.208 247 K C 2.096 178.700 176.600 0.007 0.000 1.048 247 K CA 1.633 57.913 56.287 -0.011 0.000 0.928 247 K CB -0.119 32.344 32.500 -0.063 0.000 0.713 247 K HN 0.268 nan 8.250 nan 0.000 0.442 248 I N 0.478 121.028 120.570 -0.032 0.000 2.252 248 I HA -0.153 4.030 4.170 0.022 0.000 0.245 248 I C 2.494 178.703 176.117 0.153 0.000 1.102 248 I CA 1.340 62.628 61.300 -0.020 0.000 1.385 248 I CB -0.545 37.232 38.000 -0.371 0.000 1.064 248 I HN 0.401 nan 8.210 nan 0.000 0.414 249 G N 0.768 109.695 108.800 0.211 0.000 2.408 249 G HA2 -0.182 3.791 3.960 0.022 0.000 0.217 249 G HA3 -0.182 3.791 3.960 0.022 0.000 0.217 249 G C 1.724 176.682 174.900 0.096 0.000 1.150 249 G CA 0.333 45.569 45.100 0.227 0.000 0.776 249 G HN 0.243 nan 8.290 nan 0.000 0.542 250 K N -0.519 119.917 120.400 0.059 0.000 2.147 250 K HA -0.100 4.234 4.320 0.022 0.000 0.205 250 K C 2.070 178.718 176.600 0.079 0.000 1.049 250 K CA 0.993 57.299 56.287 0.033 0.000 0.936 250 K CB -0.267 32.243 32.500 0.017 0.000 0.722 250 K HN 0.546 nan 8.250 nan 0.000 0.446 251 Y N 1.154 121.445 120.300 -0.015 0.000 2.184 251 Y HA -0.081 4.482 4.550 0.021 0.000 0.290 251 Y C 1.619 177.519 175.900 -0.001 0.000 1.129 251 Y CA 1.164 59.255 58.100 -0.016 0.000 1.144 251 Y CB 0.007 38.446 38.460 -0.035 0.000 0.995 251 Y HN -0.117 nan 8.280 nan 0.000 0.513 252 L N 1.278 122.435 121.223 -0.110 0.000 2.645 252 L HA 0.019 4.372 4.340 0.022 0.000 0.234 252 L C 1.913 178.736 176.870 -0.078 0.000 1.165 252 L CA 0.171 54.910 54.840 -0.169 0.000 0.944 252 L CB -0.291 41.768 42.059 -0.001 0.000 1.149 252 L HN 0.174 nan 8.230 nan 0.000 0.446 253 K N 1.593 121.959 120.400 -0.056 0.000 2.059 253 K HA -0.192 4.142 4.320 0.022 0.000 0.212 253 K C 1.846 178.429 176.600 -0.027 0.000 1.050 253 K CA 1.948 58.221 56.287 -0.023 0.000 0.927 253 K CB -0.499 31.990 32.500 -0.019 0.000 0.714 253 K HN 0.273 nan 8.250 nan 0.000 0.447 254 G N -1.663 107.105 108.800 -0.054 0.000 2.920 254 G HA2 -0.053 3.920 3.960 0.022 0.000 0.208 254 G HA3 -0.053 3.920 3.960 0.022 0.000 0.208 254 G C 1.021 175.900 174.900 -0.035 0.000 1.159 254 G CA 0.565 45.642 45.100 -0.039 0.000 0.784 254 G HN 0.355 nan 8.290 nan 0.000 0.535 255 S N -0.334 115.337 115.700 -0.049 0.000 2.499 255 S HA 0.288 4.771 4.470 0.022 0.000 0.225 255 S C 0.747 175.334 174.600 -0.023 0.000 1.050 255 S CA -0.319 57.859 58.200 -0.038 0.000 0.928 255 S CB 0.271 63.435 63.200 -0.060 0.000 0.803 255 S HN 0.151 nan 8.310 nan 0.000 0.506 256 L N 1.633 122.844 121.223 -0.019 0.000 2.326 256 L HA 0.444 4.797 4.340 0.022 0.000 0.278 256 L C 1.232 178.098 176.870 -0.007 0.000 1.092 256 L CA -0.550 54.272 54.840 -0.031 0.000 0.810 256 L CB 1.126 43.186 42.059 0.000 0.000 1.153 256 L HN 0.183 nan 8.230 nan 0.000 0.439 257 A N 3.956 126.752 122.820 -0.040 0.000 1.975 257 A HA 0.082 4.415 4.320 0.022 0.000 0.215 257 A C 0.172 177.878 177.584 0.203 0.000 1.170 257 A CA 1.018 53.103 52.037 0.080 0.000 0.656 257 A CB 0.034 19.112 19.000 0.131 0.000 0.821 257 A HN 0.740 nan 8.150 nan 0.000 0.449 258 Y N -5.153 115.177 120.300 0.050 0.000 2.713 258 Y HA 0.651 5.215 4.550 0.022 0.000 0.335 258 Y C -0.722 175.231 175.900 0.088 0.000 1.222 258 Y CA -1.496 56.647 58.100 0.070 0.000 1.061 258 Y CB 0.625 39.110 38.460 0.041 0.000 1.314 258 Y HN 0.173 nan 8.280 nan 0.000 0.453 259 A N 1.570 124.545 122.820 0.258 0.000 2.267 259 A HA 0.492 4.825 4.320 0.022 0.000 0.315 259 A C -0.784 176.874 177.584 0.123 0.000 1.297 259 A CA -0.587 51.537 52.037 0.145 0.000 0.865 259 A CB 0.484 19.619 19.000 0.224 0.000 1.165 259 A HN 0.710 nan 8.150 nan 0.000 0.513 260 E N 3.045 123.281 120.200 0.060 0.000 2.194 260 E HA 0.184 4.547 4.350 0.022 0.000 0.284 260 E C -0.729 175.826 176.600 -0.075 0.000 1.035 260 E CA -0.455 55.984 56.400 0.065 0.000 0.836 260 E CB 0.291 30.057 29.700 0.110 0.000 1.070 260 E HN 0.647 nan 8.360 nan 0.000 0.401 261 D N 5.033 125.383 120.400 -0.083 0.000 2.755 261 D HA -0.158 4.495 4.640 0.022 0.000 0.227 261 D C -1.753 174.378 176.300 -0.281 0.000 1.211 261 D CA 0.227 54.140 54.000 -0.145 0.000 0.663 261 D CB -0.361 40.384 40.800 -0.091 0.000 0.983 261 D HN 0.500 nan 8.370 nan 0.000 0.407 262 P HA -0.101 nan 4.420 nan 0.000 0.217 262 P C 0.925 178.052 177.300 -0.288 0.000 1.150 262 P CA 1.161 63.999 63.100 -0.436 0.000 0.832 262 P CB 0.137 31.412 31.700 -0.710 0.000 0.787 263 C N -4.180 114.975 119.300 -0.243 0.000 3.318 263 C HA 0.963 5.436 4.460 0.022 0.000 0.329 263 C C 0.310 175.263 174.990 -0.063 0.000 1.449 263 C CA -0.318 58.651 59.018 -0.083 0.000 1.397 263 C CB 1.532 29.289 27.740 0.028 0.000 1.810 263 C HN 0.372 nan 8.230 nan 0.000 0.449 264 G N -0.767 108.029 108.800 -0.006 0.000 2.731 264 G HA2 0.797 4.770 3.960 0.022 0.000 0.309 264 G HA3 0.797 4.770 3.960 0.022 0.000 0.309 264 G C -0.592 174.334 174.900 0.044 0.000 1.273 264 G CA -0.135 44.970 45.100 0.008 0.000 0.798 264 G HN 1.850 nan 8.290 nan 0.000 0.509 265 A N -0.139 122.708 122.820 0.045 0.000 2.565 265 A HA 0.529 4.862 4.320 0.022 0.000 0.237 265 A C 0.412 178.042 177.584 0.077 0.000 1.053 265 A CA 1.417 53.495 52.037 0.068 0.000 0.755 265 A CB -0.416 18.609 19.000 0.042 0.000 0.980 265 A HN 1.438 nan 8.150 nan 0.000 0.506 266 E N 1.216 121.490 120.200 0.124 0.000 2.470 266 E HA 0.305 4.668 4.350 0.022 0.000 0.287 266 E C -0.591 176.135 176.600 0.211 0.000 1.126 266 E CA -0.564 55.910 56.400 0.123 0.000 0.902 266 E CB 0.067 29.827 29.700 0.099 0.000 1.196 266 E HN 0.673 nan 8.360 nan 0.000 0.430 267 Q N 0.828 120.718 119.800 0.150 0.000 2.494 267 Q HA -0.292 4.061 4.340 0.022 0.000 0.266 267 Q C 0.818 176.841 176.000 0.038 0.000 1.053 267 Q CA 1.337 57.240 55.803 0.168 0.000 1.029 267 Q CB -1.932 27.001 28.738 0.325 0.000 1.423 267 Q HN 1.569 nan 8.270 nan 0.000 0.516 268 G N -1.245 107.528 108.800 -0.046 0.000 2.195 268 G HA2 -0.315 3.658 3.960 0.022 0.000 0.246 268 G HA3 -0.315 3.658 3.960 0.022 0.000 0.246 268 G C -0.085 174.620 174.900 -0.324 0.000 0.984 268 G CA 0.212 45.179 45.100 -0.223 0.000 0.633 268 G HN 0.280 nan 8.290 nan 0.000 0.525 269 F N 2.381 122.333 119.950 0.003 0.000 2.379 269 F HA 0.622 5.158 4.527 0.014 0.000 0.332 269 F C 1.272 177.074 175.800 0.003 0.000 1.096 269 F CA -0.116 57.887 58.000 0.006 0.000 1.105 269 F CB 1.516 40.527 39.000 0.019 0.000 1.189 269 F HN 0.250 nan 8.300 nan 0.000 0.515 270 S N 0.955 116.763 115.700 0.180 0.000 2.624 270 S HA 0.365 4.848 4.470 0.022 0.000 0.263 270 S C 1.326 175.991 174.600 0.109 0.000 1.287 270 S CA -0.325 57.934 58.200 0.098 0.000 0.990 270 S CB 1.142 64.370 63.200 0.047 0.000 0.950 270 S HN 0.851 nan 8.310 nan 0.000 0.561 271 G N 0.575 109.417 108.800 0.070 0.000 2.442 271 G HA2 -0.180 3.793 3.960 0.022 0.000 0.219 271 G HA3 -0.180 3.793 3.960 0.022 0.000 0.219 271 G C 1.545 176.488 174.900 0.071 0.000 1.141 271 G CA 0.473 45.608 45.100 0.059 0.000 0.763 271 G HN 0.772 nan 8.290 nan 0.000 0.554 272 R N 0.207 120.756 120.500 0.082 0.000 2.075 272 R HA 0.037 4.390 4.340 0.022 0.000 0.232 272 R C 2.575 178.936 176.300 0.102 0.000 1.126 272 R CA 1.352 57.511 56.100 0.098 0.000 0.963 272 R CB -0.205 30.165 30.300 0.117 0.000 0.858 272 R HN 0.448 nan 8.270 nan 0.000 0.435 273 E N -0.017 120.250 120.200 0.111 0.000 2.047 273 E HA -0.147 4.216 4.350 0.022 0.000 0.191 273 E C 2.032 178.672 176.600 0.067 0.000 0.987 273 E CA 1.347 57.815 56.400 0.113 0.000 0.799 273 E CB -0.000 29.820 29.700 0.200 0.000 0.752 273 E HN 0.054 nan 8.360 nan 0.000 0.449 274 V N 1.471 121.429 119.914 0.074 0.000 2.261 274 V HA -0.305 3.828 4.120 0.022 0.000 0.246 274 V C 2.350 178.501 176.094 0.094 0.000 1.047 274 V CA 1.718 64.046 62.300 0.046 0.000 1.015 274 V CB -0.439 31.424 31.823 0.066 0.000 0.642 274 V HN 0.349 nan 8.190 nan 0.000 0.446 275 M N -0.291 119.367 119.600 0.097 0.000 2.149 275 M HA -0.202 4.291 4.480 0.022 0.000 0.261 275 M C 2.369 178.781 176.300 0.186 0.000 1.064 275 M CA 2.164 57.542 55.300 0.131 0.000 1.102 275 M CB -0.772 31.875 32.600 0.078 0.000 1.369 275 M HN 0.453 nan 8.290 nan 0.000 0.408 276 A N 0.212 123.110 122.820 0.129 0.000 1.930 276 A HA -0.157 4.176 4.320 0.022 0.000 0.217 276 A C 1.929 179.571 177.584 0.096 0.000 1.175 276 A CA 1.588 53.692 52.037 0.112 0.000 0.627 276 A CB -0.585 18.465 19.000 0.083 0.000 0.815 276 A HN 0.531 nan 8.150 nan 0.000 0.443 277 E N -1.325 118.920 120.200 0.075 0.000 2.106 277 E HA -0.141 4.222 4.350 0.022 0.000 0.192 277 E C 1.696 178.342 176.600 0.076 0.000 0.984 277 E CA 1.169 57.591 56.400 0.037 0.000 0.806 277 E CB -0.264 29.425 29.700 -0.019 0.000 0.750 277 E HN 0.725 nan 8.360 nan 0.000 0.458 278 F N 1.898 121.857 119.950 0.014 0.000 2.069 278 F HA -0.230 4.307 4.527 0.016 0.000 0.298 278 F C 2.408 178.234 175.800 0.044 0.000 1.113 278 F CA 1.749 59.772 58.000 0.039 0.000 1.214 278 F CB -0.075 38.965 39.000 0.066 0.000 0.978 278 F HN -0.212 nan 8.300 nan 0.000 0.474 279 R N 0.279 120.888 120.500 0.181 0.000 2.096 279 R HA -0.238 4.115 4.340 0.022 0.000 0.240 279 R C 2.633 178.891 176.300 -0.070 0.000 1.139 279 R CA 2.047 58.186 56.100 0.065 0.000 0.952 279 R CB -0.447 29.954 30.300 0.169 0.000 0.854 279 R HN 0.357 nan 8.270 nan 0.000 0.436 280 R N -0.347 120.131 120.500 -0.036 0.000 2.092 280 R HA -0.058 4.295 4.340 0.022 0.000 0.231 280 R C 2.009 178.255 176.300 -0.091 0.000 1.119 280 R CA 1.341 57.414 56.100 -0.044 0.000 0.970 280 R CB -0.182 30.108 30.300 -0.016 0.000 0.864 280 R HN 0.304 nan 8.270 nan 0.000 0.440 281 A N -0.003 122.735 122.820 -0.137 0.000 1.897 281 A HA -0.122 4.211 4.320 0.022 0.000 0.215 281 A C 2.135 179.591 177.584 -0.213 0.000 1.181 281 A CA 1.843 53.787 52.037 -0.155 0.000 0.620 281 A CB -0.623 18.291 19.000 -0.143 0.000 0.821 281 A HN 0.603 nan 8.150 nan 0.000 0.443 282 T N -5.079 109.257 114.554 -0.364 0.000 3.044 282 T HA 0.392 4.755 4.350 0.022 0.000 0.255 282 T C 1.502 176.089 174.700 -0.187 0.000 1.073 282 T CA 1.190 63.091 62.100 -0.332 0.000 1.125 282 T CB 0.027 68.535 68.868 -0.599 0.000 0.908 282 T HN 1.704 nan 8.240 nan 0.000 0.480 283 G N 1.284 109.991 108.800 -0.155 0.000 2.143 283 G HA2 -0.190 3.783 3.960 0.022 0.000 0.249 283 G HA3 -0.190 3.783 3.960 0.022 0.000 0.249 283 G C -0.123 174.763 174.900 -0.023 0.000 0.981 283 G CA 0.225 45.286 45.100 -0.064 0.000 0.665 283 G HN 0.630 nan 8.290 nan 0.000 0.528 284 L N 0.810 122.017 121.223 -0.027 0.000 2.343 284 L HA 0.517 4.870 4.340 0.022 0.000 0.275 284 L C -1.832 175.140 176.870 0.170 0.000 1.056 284 L CA -2.329 52.567 54.840 0.093 0.000 0.804 284 L CB 1.601 43.771 42.059 0.185 0.000 1.203 284 L HN -0.129 nan 8.230 nan 0.000 0.440 285 P HA 0.178 nan 4.420 nan 0.000 0.278 285 P C -0.945 176.519 177.300 0.273 0.000 1.238 285 P CA -0.346 62.872 63.100 0.196 0.000 0.794 285 P CB 0.997 32.802 31.700 0.175 0.000 0.955 286 T N -0.944 113.743 114.554 0.222 0.000 2.912 286 T HA 0.857 5.220 4.350 0.022 0.000 0.288 286 T C -0.629 174.145 174.700 0.123 0.000 1.030 286 T CA -0.846 61.383 62.100 0.215 0.000 1.020 286 T CB 1.780 70.768 68.868 0.200 0.000 1.056 286 T HN 0.397 nan 8.240 nan 0.000 0.480 287 A N 0.875 123.771 122.820 0.126 0.000 2.479 287 A HA 0.950 5.283 4.320 0.022 0.000 0.296 287 A C -0.192 177.419 177.584 0.046 0.000 1.121 287 A CA -0.901 51.156 52.037 0.033 0.000 0.743 287 A CB 1.940 20.921 19.000 -0.032 0.000 1.323 287 A HN 1.172 nan 8.150 nan 0.000 0.415 288 T N -0.203 114.368 114.554 0.027 0.000 2.885 288 T HA 0.468 4.831 4.350 0.022 0.000 0.322 288 T C -1.049 173.695 174.700 0.072 0.000 1.387 288 T CA -0.050 62.077 62.100 0.044 0.000 1.041 288 T CB 0.971 69.866 68.868 0.045 0.000 1.287 288 T HN 1.002 nan 8.240 nan 0.000 0.491 289 N N 2.585 121.326 118.700 0.068 0.000 2.167 289 N HA 0.165 4.918 4.740 0.022 0.000 0.234 289 N C 0.512 175.982 175.510 -0.067 0.000 1.312 289 N CA -0.251 52.846 53.050 0.077 0.000 0.861 289 N CB 0.549 39.027 38.487 -0.016 0.000 1.217 289 N HN 0.532 nan 8.380 nan 0.000 0.504 290 M N 0.139 119.719 119.600 -0.033 0.000 2.279 290 M HA 0.332 4.826 4.480 0.022 0.000 0.278 290 M C 1.559 177.834 176.300 -0.042 0.000 1.142 290 M CA 0.273 55.526 55.300 -0.079 0.000 1.119 290 M CB 0.599 33.163 32.600 -0.059 0.000 1.741 290 M HN 0.099 nan 8.290 nan 0.000 0.601 291 I N -2.208 118.368 120.570 0.011 0.000 4.018 291 I HA 0.540 4.723 4.170 0.022 0.000 0.337 291 I C 0.431 176.595 176.117 0.079 0.000 1.327 291 I CA -0.172 61.150 61.300 0.036 0.000 1.100 291 I CB 0.571 38.598 38.000 0.045 0.000 1.025 291 I HN 0.013 nan 8.210 nan 0.000 0.396 292 A N 1.455 124.342 122.820 0.111 0.000 3.300 292 A HA 0.445 4.778 4.320 0.022 0.000 0.300 292 A C 0.544 178.312 177.584 0.307 0.000 1.099 292 A CA 0.140 52.291 52.037 0.189 0.000 0.846 292 A CB -0.459 18.654 19.000 0.188 0.000 1.255 292 A HN 0.363 nan 8.150 nan 0.000 0.519 293 T N -2.787 111.847 114.554 0.133 0.000 3.054 293 T HA 0.400 4.763 4.350 0.022 0.000 0.255 293 T C 0.097 174.442 174.700 -0.591 0.000 1.035 293 T CA 0.744 62.849 62.100 0.008 0.000 0.941 293 T CB -0.357 68.373 68.868 -0.230 0.000 1.026 293 T HN 0.669 nan 8.240 nan 0.000 0.533 294 D N -1.700 118.429 120.400 -0.452 0.000 2.665 294 D HA 0.268 4.921 4.640 0.022 0.000 0.287 294 D C 0.012 176.260 176.300 -0.088 0.000 1.266 294 D CA -1.115 52.503 54.000 -0.638 0.000 0.830 294 D CB -0.079 40.518 40.800 -0.338 0.000 1.356 294 D HN 0.048 nan 8.370 nan 0.000 0.437 295 W N -0.210 121.151 121.300 0.102 0.000 2.388 295 W HA 0.068 4.734 4.660 0.011 0.000 0.294 295 W C 2.544 179.140 176.519 0.127 0.000 1.212 295 W CA 0.686 58.165 57.345 0.223 0.000 1.271 295 W CB -0.061 29.522 29.460 0.204 0.000 1.126 295 W HN 0.412 nan 8.180 nan 0.000 0.535 296 R N 0.845 121.514 120.500 0.282 0.000 2.081 296 R HA -0.207 4.146 4.340 0.022 0.000 0.235 296 R C 2.010 178.422 176.300 0.187 0.000 1.131 296 R CA 1.906 58.117 56.100 0.185 0.000 0.960 296 R CB -0.430 29.963 30.300 0.155 0.000 0.856 296 R HN 0.256 nan 8.270 nan 0.000 0.436 297 Q N -0.265 119.652 119.800 0.196 0.000 2.119 297 Q HA -0.188 4.165 4.340 0.022 0.000 0.201 297 Q C 2.091 178.222 176.000 0.219 0.000 0.972 297 Q CA 1.658 57.589 55.803 0.214 0.000 0.847 297 Q CB -0.092 28.726 28.738 0.133 0.000 0.903 297 Q HN 0.259 nan 8.270 nan 0.000 0.433 298 M N 0.386 120.133 119.600 0.244 0.000 2.080 298 M HA -0.114 4.379 4.480 0.022 0.000 0.260 298 M C 1.914 178.346 176.300 0.220 0.000 1.068 298 M CA 2.064 57.523 55.300 0.264 0.000 1.109 298 M CB -0.837 31.974 32.600 0.352 0.000 1.342 298 M HN 0.212 nan 8.290 nan 0.000 0.405 299 G N -0.916 107.981 108.800 0.163 0.000 2.446 299 G HA2 -0.254 3.720 3.960 0.022 0.000 0.217 299 G HA3 -0.254 3.720 3.960 0.022 0.000 0.217 299 G C 1.448 176.309 174.900 -0.066 0.000 1.168 299 G CA 1.256 46.365 45.100 0.015 0.000 0.771 299 G HN 0.609 nan 8.290 nan 0.000 0.551 300 H N 0.316 119.467 119.070 0.135 0.000 2.423 300 H HA -0.019 4.541 4.556 0.006 0.000 0.297 300 H C 2.873 178.263 175.328 0.104 0.000 1.075 300 H CA 1.546 57.656 56.048 0.104 0.000 1.342 300 H CB -0.552 29.265 29.762 0.092 0.000 1.395 300 H HN 0.267 nan 8.280 nan 0.000 0.530 301 T N 1.686 116.369 114.554 0.215 0.000 2.746 301 T HA -0.081 4.282 4.350 0.022 0.000 0.267 301 T C 2.447 177.230 174.700 0.139 0.000 1.039 301 T CA 0.786 62.987 62.100 0.168 0.000 1.142 301 T CB -0.294 68.671 68.868 0.162 0.000 0.866 301 T HN 0.190 nan 8.240 nan 0.000 0.444 302 L N 0.797 122.102 121.223 0.137 0.000 2.046 302 L HA -0.089 4.264 4.340 0.022 0.000 0.208 302 L C 2.867 179.778 176.870 0.069 0.000 1.077 302 L CA 1.006 55.909 54.840 0.105 0.000 0.747 302 L CB -0.680 41.446 42.059 0.112 0.000 0.896 302 L HN 0.214 nan 8.230 nan 0.000 0.432 303 S N 0.089 115.838 115.700 0.082 0.000 2.382 303 S HA -0.084 4.399 4.470 0.022 0.000 0.228 303 S C 1.928 176.576 174.600 0.080 0.000 1.027 303 S CA 1.204 59.449 58.200 0.073 0.000 0.991 303 S CB -0.202 63.062 63.200 0.107 0.000 0.823 303 S HN 0.289 nan 8.310 nan 0.000 0.469 304 L N 0.599 121.884 121.223 0.104 0.000 2.375 304 L HA 0.137 4.490 4.340 0.022 0.000 0.215 304 L C 0.456 177.374 176.870 0.080 0.000 1.108 304 L CA 0.336 55.233 54.840 0.095 0.000 0.830 304 L CB -0.306 41.821 42.059 0.113 0.000 0.959 304 L HN 0.251 nan 8.230 nan 0.000 0.457 305 Q N -0.512 119.337 119.800 0.082 0.000 2.470 305 Q HA -0.194 4.159 4.340 0.022 0.000 0.290 305 Q C 1.066 177.118 176.000 0.087 0.000 1.353 305 Q CA 0.429 56.277 55.803 0.075 0.000 0.787 305 Q CB -1.790 26.980 28.738 0.054 0.000 1.158 305 Q HN 0.440 nan 8.270 nan 0.000 0.426 306 S N -1.192 114.568 115.700 0.100 0.000 2.414 306 S HA 0.065 4.548 4.470 0.022 0.000 0.227 306 S C 0.837 175.503 174.600 0.109 0.000 1.022 306 S CA 0.743 59.008 58.200 0.108 0.000 0.958 306 S CB 0.588 63.853 63.200 0.109 0.000 0.797 306 S HN 0.306 nan 8.310 nan 0.000 0.493 307 V N 2.398 122.371 119.914 0.098 0.000 2.588 307 V HA 0.319 4.452 4.120 0.022 0.000 0.304 307 V C -0.005 176.132 176.094 0.071 0.000 1.042 307 V CA -0.722 61.628 62.300 0.083 0.000 0.877 307 V CB 2.010 33.877 31.823 0.074 0.000 0.996 307 V HN 0.168 nan 8.190 nan 0.000 0.425 308 D N 2.989 123.423 120.400 0.056 0.000 2.277 308 D HA 0.196 4.849 4.640 0.022 0.000 0.209 308 D C 0.340 176.637 176.300 -0.005 0.000 0.970 308 D CA 1.238 55.262 54.000 0.039 0.000 0.874 308 D CB 1.035 41.858 40.800 0.038 0.000 0.982 308 D HN 0.418 nan 8.370 nan 0.000 0.504 309 I N 2.854 123.394 120.570 -0.051 0.000 2.537 309 I HA 0.188 4.371 4.170 0.022 0.000 0.276 309 I C -2.616 173.426 176.117 -0.124 0.000 1.063 309 I CA -1.946 59.272 61.300 -0.136 0.000 1.144 309 I CB 2.205 40.013 38.000 -0.321 0.000 1.252 309 I HN -0.359 nan 8.210 nan 0.000 0.480 310 P HA 0.201 nan 4.420 nan 0.000 0.281 310 P C -0.413 176.734 177.300 -0.254 0.000 1.286 310 P CA -0.140 62.891 63.100 -0.115 0.000 0.772 310 P CB 0.663 32.301 31.700 -0.102 0.000 0.862 311 L N 2.908 124.030 121.223 -0.169 0.000 2.404 311 L HA 0.308 4.661 4.340 0.022 0.000 0.277 311 L C 1.045 177.794 176.870 -0.202 0.000 1.184 311 L CA -0.472 54.232 54.840 -0.226 0.000 1.013 311 L CB -0.127 41.909 42.059 -0.039 0.000 1.318 311 L HN 0.328 nan 8.230 nan 0.000 0.435 312 A N 1.879 124.387 122.820 -0.519 0.000 3.078 312 A HA 0.100 4.433 4.320 0.022 0.000 0.279 312 A C 0.166 177.514 177.584 -0.395 0.000 1.594 312 A CA -0.537 51.145 52.037 -0.591 0.000 1.301 312 A CB -0.413 18.043 19.000 -0.907 0.000 1.162 312 A HN 0.613 nan 8.150 nan 0.000 0.585 313 D N 3.020 123.216 120.400 -0.339 0.000 2.472 313 D HA 0.049 4.702 4.640 0.022 0.000 0.248 313 D C -1.260 174.943 176.300 -0.161 0.000 1.174 313 D CA -1.566 52.308 54.000 -0.210 0.000 0.883 313 D CB 1.047 41.814 40.800 -0.055 0.000 1.149 313 D HN 0.209 nan 8.370 nan 0.000 0.488 314 P HA -0.142 nan 4.420 nan 0.000 0.221 314 P C 0.658 177.971 177.300 0.022 0.000 1.145 314 P CA 1.245 64.358 63.100 0.021 0.000 0.795 314 P CB 0.068 31.749 31.700 -0.032 0.000 0.775 315 H N -0.838 118.326 119.070 0.156 0.000 2.387 315 H HA -0.081 4.488 4.556 0.021 0.000 0.299 315 H C 1.631 177.151 175.328 0.320 0.000 1.090 315 H CA 1.734 57.956 56.048 0.290 0.000 1.332 315 H CB -0.909 29.077 29.762 0.373 0.000 1.386 315 H HN 0.307 nan 8.280 nan 0.000 0.516 316 F N -4.020 116.117 119.950 0.313 0.000 2.731 316 F HA 0.221 4.759 4.527 0.019 0.000 0.298 316 F C 1.034 176.758 175.800 -0.127 0.000 1.106 316 F CA -0.491 57.492 58.000 -0.027 0.000 1.329 316 F CB -0.228 38.715 39.000 -0.095 0.000 1.100 316 F HN -0.031 nan 8.300 nan 0.000 0.592 317 W N 2.375 123.569 121.300 -0.177 0.000 3.058 317 W HA 0.284 4.953 4.660 0.016 0.000 0.306 317 W C 0.349 176.864 176.519 -0.007 0.000 1.188 317 W CA 1.313 58.587 57.345 -0.118 0.000 1.651 317 W CB 0.272 29.588 29.460 -0.239 0.000 1.051 317 W HN 0.214 nan 8.180 nan 0.000 0.592 318 T N -3.194 111.492 114.554 0.219 0.000 0.541 318 T HA -0.336 4.027 4.350 0.022 0.000 0.774 318 T C 0.462 175.257 174.700 0.158 0.000 0.992 318 T CA 0.563 62.764 62.100 0.168 0.000 4.077 318 T CB -0.810 68.164 68.868 0.175 0.000 2.303 318 T HN 0.110 nan 8.240 nan 0.000 0.398 319 M N 1.294 120.963 119.600 0.115 0.000 2.067 319 M HA -0.112 4.381 4.480 0.022 0.000 0.260 319 M C 2.800 179.163 176.300 0.106 0.000 1.069 319 M CA 2.532 57.889 55.300 0.094 0.000 1.117 319 M CB -0.518 32.123 32.600 0.068 0.000 1.334 319 M HN 0.769 nan 8.290 nan 0.000 0.407 320 Q N -0.285 119.590 119.800 0.126 0.000 2.167 320 Q HA -0.085 4.268 4.340 0.022 0.000 0.202 320 Q C 2.192 178.283 176.000 0.153 0.000 0.970 320 Q CA 1.303 57.179 55.803 0.122 0.000 0.855 320 Q CB -0.417 28.403 28.738 0.136 0.000 0.911 320 Q HN 0.695 nan 8.270 nan 0.000 0.438 321 G N 0.468 109.400 108.800 0.220 0.000 2.402 321 G HA2 -0.293 3.680 3.960 0.022 0.000 0.216 321 G HA3 -0.293 3.680 3.960 0.022 0.000 0.216 321 G C 1.462 176.476 174.900 0.189 0.000 1.162 321 G CA 0.933 46.231 45.100 0.331 0.000 0.777 321 G HN 0.356 nan 8.290 nan 0.000 0.539 322 S N -0.241 115.529 115.700 0.118 0.000 2.383 322 S HA -0.118 4.365 4.470 0.022 0.000 0.229 322 S C 2.492 177.074 174.600 -0.031 0.000 1.030 322 S CA 1.577 59.779 58.200 0.003 0.000 1.002 322 S CB -0.281 63.001 63.200 0.135 0.000 0.829 322 S HN 0.117 nan 8.310 nan 0.000 0.467 323 V N 2.171 122.047 119.914 -0.062 0.000 2.407 323 V HA -0.111 4.022 4.120 0.022 0.000 0.248 323 V C 2.722 178.718 176.094 -0.163 0.000 1.055 323 V CA 1.841 64.017 62.300 -0.207 0.000 1.049 323 V CB -0.702 31.045 31.823 -0.127 0.000 0.662 323 V HN 0.449 nan 8.190 nan 0.000 0.455 324 R N -0.420 120.080 120.500 0.000 0.000 2.120 324 R HA -0.104 4.249 4.340 0.022 0.000 0.234 324 R C 2.184 178.554 176.300 0.117 0.000 1.123 324 R CA 1.315 57.470 56.100 0.092 0.000 0.975 324 R CB -0.382 30.085 30.300 0.278 0.000 0.866 324 R HN 0.447 nan 8.270 nan 0.000 0.446 325 V N 0.626 120.540 119.914 -0.000 0.000 2.379 325 V HA -0.161 3.972 4.120 0.022 0.000 0.245 325 V C 2.454 178.510 176.094 -0.064 0.000 1.044 325 V CA 1.726 63.959 62.300 -0.112 0.000 1.036 325 V CB -0.602 30.888 31.823 -0.556 0.000 0.664 325 V HN 0.335 nan 8.190 nan 0.000 0.453 326 A N -0.481 122.171 122.820 -0.279 0.000 1.908 326 A HA -0.305 4.028 4.320 0.022 0.000 0.218 326 A C 2.195 179.622 177.584 -0.262 0.000 1.181 326 A CA 2.069 53.751 52.037 -0.592 0.000 0.627 326 A CB -0.495 17.647 19.000 -1.430 0.000 0.818 326 A HN 0.618 nan 8.150 nan 0.000 0.445 327 Q N -1.339 118.330 119.800 -0.217 0.000 2.050 327 Q HA -0.180 4.173 4.340 0.022 0.000 0.202 327 Q C 2.241 178.159 176.000 -0.137 0.000 0.980 327 Q CA 1.696 57.423 55.803 -0.127 0.000 0.840 327 Q CB -0.287 28.383 28.738 -0.113 0.000 0.898 327 Q HN 0.789 nan 8.270 nan 0.000 0.424 328 M N 0.052 119.551 119.600 -0.169 0.000 2.159 328 M HA -0.197 4.296 4.480 0.022 0.000 0.263 328 M C 1.937 178.067 176.300 -0.283 0.000 1.063 328 M CA 1.344 56.433 55.300 -0.352 0.000 1.110 328 M CB -0.153 32.332 32.600 -0.191 0.000 1.374 328 M HN 0.376 nan 8.290 nan 0.000 0.411 329 C N -0.135 119.131 119.300 -0.058 0.000 2.432 329 C HA -0.183 4.290 4.460 0.022 0.000 0.277 329 C C 2.619 177.649 174.990 0.067 0.000 1.249 329 C CA 1.481 60.532 59.018 0.054 0.000 1.725 329 C CB -1.696 26.125 27.740 0.134 0.000 2.028 329 C HN 0.675 nan 8.230 nan 0.000 0.477 330 H N 1.298 120.335 119.070 -0.054 0.000 2.319 330 H HA -0.140 4.430 4.556 0.024 0.000 0.297 330 H C 1.990 177.300 175.328 -0.029 0.000 1.097 330 H CA 2.249 58.272 56.048 -0.043 0.000 1.285 330 H CB -0.321 29.392 29.762 -0.080 0.000 1.368 330 H HN 0.566 nan 8.280 nan 0.000 0.495 331 E N -1.191 118.876 120.200 -0.220 0.000 2.150 331 E HA -0.107 4.256 4.350 0.022 0.000 0.193 331 E C 1.000 177.623 176.600 0.038 0.000 0.985 331 E CA 0.871 57.134 56.400 -0.229 0.000 0.814 331 E CB 0.050 29.565 29.700 -0.308 0.000 0.752 331 E HN 0.433 nan 8.360 nan 0.000 0.466 332 F N -0.973 118.954 119.950 -0.038 0.000 2.695 332 F HA 0.345 4.906 4.527 0.055 0.000 0.303 332 F C 1.493 177.284 175.800 -0.014 0.000 1.091 332 F CA 0.295 58.285 58.000 -0.016 0.000 1.300 332 F CB 0.709 39.722 39.000 0.021 0.000 1.071 332 F HN 0.057 nan 8.300 nan 0.000 0.578 333 G N 0.521 109.404 108.800 0.139 0.000 2.157 333 G HA2 -0.244 3.729 3.960 0.022 0.000 0.239 333 G HA3 -0.244 3.729 3.960 0.022 0.000 0.239 333 G C 0.365 175.327 174.900 0.104 0.000 0.982 333 G CA 0.152 45.308 45.100 0.093 0.000 0.650 333 G HN 0.261 nan 8.290 nan 0.000 0.527 334 L N -0.188 121.111 121.223 0.128 0.000 2.642 334 L HA 0.746 5.099 4.340 0.022 0.000 0.229 334 L C 0.625 177.551 176.870 0.094 0.000 1.179 334 L CA -0.421 54.483 54.840 0.106 0.000 0.834 334 L CB 0.840 42.972 42.059 0.122 0.000 1.515 334 L HN 0.105 nan 8.230 nan 0.000 0.512 335 T N -1.000 113.593 114.554 0.065 0.000 2.890 335 T HA 0.204 4.567 4.350 0.022 0.000 0.295 335 T C -1.178 173.556 174.700 0.057 0.000 0.993 335 T CA -0.363 61.774 62.100 0.061 0.000 0.979 335 T CB 0.918 69.789 68.868 0.004 0.000 0.967 335 T HN 0.425 nan 8.240 nan 0.000 0.441 336 W N 3.246 124.494 121.300 -0.086 0.000 2.261 336 W HA 0.603 5.273 4.660 0.017 0.000 0.323 336 W C 0.339 176.780 176.519 -0.130 0.000 1.243 336 W CA 0.437 57.709 57.345 -0.121 0.000 1.210 336 W CB 0.648 30.037 29.460 -0.119 0.000 1.149 336 W HN 0.865 nan 8.180 nan 0.000 0.562 337 G N 1.972 110.226 108.800 -0.910 0.000 2.788 337 G HA2 0.561 4.534 3.960 0.022 0.000 0.293 337 G HA3 0.561 4.534 3.960 0.022 0.000 0.293 337 G C -1.716 172.324 174.900 -1.433 0.000 1.392 337 G CA -0.791 43.732 45.100 -0.962 0.000 0.810 337 G HN 0.521 nan 8.290 nan 0.000 0.508 338 S N -1.288 113.884 115.700 -0.880 0.000 2.546 338 S HA 0.510 4.993 4.470 0.022 0.000 0.272 338 S C -1.284 173.129 174.600 -0.312 0.000 1.140 338 S CA -0.758 57.060 58.200 -0.637 0.000 0.920 338 S CB 1.261 64.090 63.200 -0.618 0.000 1.083 338 S HN 0.941 nan 8.310 nan 0.000 0.476 339 H N 2.445 121.381 119.070 -0.224 0.000 2.472 339 H HA 0.727 5.296 4.556 0.023 0.000 0.335 339 H C -0.702 174.649 175.328 0.038 0.000 1.136 339 H CA -0.122 55.914 56.048 -0.020 0.000 1.264 339 H CB 1.674 31.540 29.762 0.174 0.000 1.486 339 H HN 0.531 nan 8.280 nan 0.000 0.517 340 S N 3.183 118.537 115.700 -0.577 0.000 2.638 340 S HA 0.488 4.971 4.470 0.022 0.000 0.302 340 S C -0.950 173.502 174.600 -0.246 0.000 1.096 340 S CA -0.819 57.255 58.200 -0.210 0.000 0.953 340 S CB 1.118 64.467 63.200 0.249 0.000 1.107 340 S HN 0.824 nan 8.310 nan 0.000 0.503 341 N N 1.436 120.034 118.700 -0.170 0.000 2.357 341 N HA 0.359 5.112 4.740 0.022 0.000 0.284 341 N C -1.657 173.441 175.510 -0.686 0.000 1.236 341 N CA -0.649 52.115 53.050 -0.476 0.000 0.774 341 N CB 1.234 39.611 38.487 -0.183 0.000 1.534 341 N HN 0.682 nan 8.380 nan 0.000 0.478 342 N N 0.690 118.752 118.700 -1.062 0.000 2.294 342 N HA -0.022 4.731 4.740 0.022 0.000 0.263 342 N C -0.527 174.619 175.510 -0.606 0.000 1.281 342 N CA 0.900 53.409 53.050 -0.901 0.000 0.846 342 N CB -0.013 37.786 38.487 -1.146 0.000 1.061 342 N HN 0.536 nan 8.380 nan 0.000 0.478 343 H N -0.478 118.372 119.070 -0.368 0.000 2.966 343 H HA 0.582 5.151 4.556 0.022 0.000 0.330 343 H C -1.163 174.264 175.328 0.165 0.000 1.292 343 H CA -1.014 55.022 56.048 -0.020 0.000 1.127 343 H CB 0.504 30.343 29.762 0.127 0.000 1.863 343 H HN 0.273 nan 8.280 nan 0.000 0.543 344 F N -0.078 120.183 119.950 0.519 0.000 2.355 344 F HA 0.157 4.697 4.527 0.022 0.000 0.340 344 F C 1.470 177.301 175.800 0.053 0.000 1.067 344 F CA -0.344 57.934 58.000 0.462 0.000 1.116 344 F CB 0.625 39.835 39.000 0.350 0.000 1.582 344 F HN 0.797 nan 8.300 nan 0.000 0.512 345 D N -0.175 120.237 120.400 0.021 0.000 2.269 345 D HA -0.111 4.542 4.640 0.022 0.000 0.208 345 D C 1.854 177.942 176.300 -0.352 0.000 0.963 345 D CA 1.278 55.017 54.000 -0.435 0.000 0.864 345 D CB -0.494 40.120 40.800 -0.311 0.000 0.936 345 D HN 0.415 nan 8.370 nan 0.000 0.505 346 I N 0.698 121.193 120.570 -0.125 0.000 2.163 346 I HA -0.222 3.961 4.170 0.022 0.000 0.240 346 I C 2.322 178.342 176.117 -0.161 0.000 1.081 346 I CA 0.901 62.122 61.300 -0.132 0.000 1.353 346 I CB -0.291 37.698 38.000 -0.019 0.000 1.054 346 I HN -0.067 nan 8.210 nan 0.000 0.407 347 S N 0.981 116.670 115.700 -0.018 0.000 2.370 347 S HA -0.180 4.303 4.470 0.022 0.000 0.226 347 S C 1.913 176.228 174.600 -0.475 0.000 1.033 347 S CA 1.242 59.458 58.200 0.027 0.000 1.011 347 S CB -0.434 62.935 63.200 0.281 0.000 0.852 347 S HN 0.276 nan 8.310 nan 0.000 0.457 348 L N 2.100 122.919 121.223 -0.673 0.000 1.990 348 L HA -0.130 4.223 4.340 0.022 0.000 0.213 348 L C 2.375 178.542 176.870 -1.171 0.000 1.072 348 L CA 2.178 56.292 54.840 -1.208 0.000 0.755 348 L CB -1.261 40.264 42.059 -0.890 0.000 0.889 348 L HN 0.252 nan 8.230 nan 0.000 0.432 349 A N -0.812 121.432 122.820 -0.960 0.000 1.883 349 A HA -0.278 4.055 4.320 0.022 0.000 0.217 349 A C 2.302 179.684 177.584 -0.337 0.000 1.186 349 A CA 2.319 53.839 52.037 -0.862 0.000 0.624 349 A CB -0.630 17.860 19.000 -0.850 0.000 0.822 349 A HN 0.556 nan 8.150 nan 0.000 0.444 350 M N -0.878 118.545 119.600 -0.294 0.000 2.110 350 M HA -0.221 4.272 4.480 0.022 0.000 0.257 350 M C 2.151 178.431 176.300 -0.034 0.000 1.071 350 M CA 2.570 57.800 55.300 -0.116 0.000 1.096 350 M CB -0.751 31.781 32.600 -0.115 0.000 1.300 350 M HN 0.720 nan 8.290 nan 0.000 0.411 351 F N -1.555 118.370 119.950 -0.042 0.000 2.456 351 F HA 0.047 4.587 4.527 0.023 0.000 0.298 351 F C 2.082 177.922 175.800 0.066 0.000 1.104 351 F CA 0.813 58.821 58.000 0.014 0.000 1.435 351 F CB -1.388 37.614 39.000 0.003 0.000 1.078 351 F HN -0.073 nan 8.300 nan 0.000 0.546 352 T N -0.073 114.418 114.554 -0.106 0.000 2.708 352 T HA -0.184 4.179 4.350 0.022 0.000 0.266 352 T C 1.492 176.188 174.700 -0.008 0.000 1.037 352 T CA 2.274 64.373 62.100 -0.003 0.000 1.146 352 T CB -0.532 68.317 68.868 -0.031 0.000 0.865 352 T HN 0.468 nan 8.240 nan 0.000 0.435 353 H N -0.066 119.040 119.070 0.061 0.000 2.387 353 H HA 0.026 4.594 4.556 0.021 0.000 0.299 353 H C 2.274 177.623 175.328 0.035 0.000 1.090 353 H CA 1.111 57.187 56.048 0.046 0.000 1.332 353 H CB -0.278 29.498 29.762 0.023 0.000 1.386 353 H HN 0.094 nan 8.280 nan 0.000 0.516 354 V N 0.544 120.567 119.914 0.180 0.000 2.295 354 V HA -0.277 3.856 4.120 0.022 0.000 0.246 354 V C 2.545 178.664 176.094 0.041 0.000 1.049 354 V CA 1.747 64.119 62.300 0.119 0.000 1.024 354 V CB -0.920 31.023 31.823 0.200 0.000 0.648 354 V HN 0.590 nan 8.190 nan 0.000 0.447 355 A N -0.169 122.776 122.820 0.207 0.000 2.019 355 A HA -0.072 4.261 4.320 0.022 0.000 0.219 355 A C 2.351 179.919 177.584 -0.026 0.000 1.164 355 A CA 1.811 53.950 52.037 0.169 0.000 0.644 355 A CB -0.637 18.602 19.000 0.398 0.000 0.805 355 A HN 0.587 nan 8.150 nan 0.000 0.449 356 A N -0.593 122.225 122.820 -0.003 0.000 2.067 356 A HA 0.279 4.612 4.320 0.022 0.000 0.219 356 A C 2.036 179.576 177.584 -0.074 0.000 1.158 356 A CA 1.589 53.604 52.037 -0.036 0.000 0.661 356 A CB -0.498 18.480 19.000 -0.036 0.000 0.801 356 A HN 1.078 nan 8.150 nan 0.000 0.452 357 A N -1.111 121.643 122.820 -0.110 0.000 2.423 357 A HA 0.655 4.988 4.320 0.022 0.000 0.246 357 A C 0.942 178.361 177.584 -0.275 0.000 1.278 357 A CA 0.505 52.453 52.037 -0.148 0.000 0.903 357 A CB -0.534 18.406 19.000 -0.100 0.000 0.997 357 A HN 0.815 nan 8.150 nan 0.000 0.510 358 A N 1.718 124.304 122.820 -0.390 0.000 2.276 358 A HA 0.660 4.994 4.320 0.022 0.000 0.300 358 A C -2.724 174.637 177.584 -0.371 0.000 1.235 358 A CA -1.555 50.138 52.037 -0.574 0.000 0.867 358 A CB 0.269 18.661 19.000 -1.014 0.000 1.137 358 A HN 0.218 nan 8.150 nan 0.000 0.527 359 P HA 0.532 nan 4.420 nan 0.000 0.279 359 P C 0.798 177.772 177.300 -0.543 0.000 1.252 359 P CA 1.099 63.944 63.100 -0.424 0.000 0.811 359 P CB 1.106 32.523 31.700 -0.472 0.000 1.035 360 G N 0.457 108.886 108.800 -0.618 0.000 2.553 360 G HA2 -0.181 3.792 3.960 0.022 0.000 0.242 360 G HA3 -0.181 3.792 3.960 0.022 0.000 0.242 360 G C -0.743 174.076 174.900 -0.135 0.000 1.277 360 G CA -0.395 44.437 45.100 -0.448 0.000 0.910 360 G HN 0.797 nan 8.290 nan 0.000 0.576 361 K N 1.108 121.503 120.400 -0.009 0.000 2.234 361 K HA 0.556 4.889 4.320 0.022 0.000 0.277 361 K C 0.556 177.191 176.600 0.058 0.000 1.038 361 K CA -0.399 55.903 56.287 0.025 0.000 0.888 361 K CB 0.237 32.764 32.500 0.045 0.000 1.091 361 K HN 0.816 nan 8.250 nan 0.000 0.467 362 I N -0.399 120.214 120.570 0.072 0.000 2.863 362 I HA 0.442 4.625 4.170 0.022 0.000 0.311 362 I C 0.278 176.437 176.117 0.070 0.000 1.026 362 I CA -0.875 60.507 61.300 0.137 0.000 1.077 362 I CB 1.830 40.000 38.000 0.283 0.000 1.262 362 I HN 0.301 nan 8.210 nan 0.000 0.461 363 T N 1.830 116.396 114.554 0.020 0.000 2.902 363 T HA 0.621 4.984 4.350 0.022 0.000 0.280 363 T C 0.127 174.805 174.700 -0.037 0.000 0.992 363 T CA -0.248 61.825 62.100 -0.046 0.000 1.015 363 T CB 0.972 69.741 68.868 -0.165 0.000 1.044 363 T HN 0.859 nan 8.240 nan 0.000 0.520 364 A N 3.606 126.407 122.820 -0.031 0.000 2.540 364 A HA 0.367 4.700 4.320 0.022 0.000 0.239 364 A C 0.281 177.811 177.584 -0.089 0.000 1.061 364 A CA -0.269 51.749 52.037 -0.033 0.000 0.758 364 A CB -0.329 18.645 19.000 -0.044 0.000 0.991 364 A HN 0.659 nan 8.150 nan 0.000 0.502 365 I N 2.344 122.873 120.570 -0.069 0.000 2.529 365 I HA 0.116 4.299 4.170 0.022 0.000 0.284 365 I C 0.220 176.232 176.117 -0.176 0.000 1.082 365 I CA -0.543 60.674 61.300 -0.139 0.000 1.406 365 I CB 0.508 38.493 38.000 -0.024 0.000 1.405 365 I HN 0.554 nan 8.210 nan 0.000 0.548 366 D N 3.503 123.739 120.400 -0.274 0.000 2.382 366 D HA 0.396 5.049 4.640 0.022 0.000 0.245 366 D C 0.319 176.503 176.300 -0.194 0.000 1.120 366 D CA 0.378 54.209 54.000 -0.281 0.000 0.890 366 D CB 0.910 41.530 40.800 -0.300 0.000 1.201 366 D HN 0.539 nan 8.370 nan 0.000 0.433 367 T N 0.533 115.129 114.554 0.070 0.000 3.012 367 T HA 0.224 4.587 4.350 0.022 0.000 0.330 367 T C -0.474 174.571 174.700 0.575 0.000 1.321 367 T CA -0.563 61.774 62.100 0.395 0.000 1.067 367 T CB 0.677 69.894 68.868 0.582 0.000 1.235 367 T HN 0.342 nan 8.240 nan 0.000 0.479 368 H N 2.396 121.801 119.070 0.557 0.000 2.551 368 H HA 0.285 4.854 4.556 0.021 0.000 0.271 368 H C 1.486 176.991 175.328 0.296 0.000 0.984 368 H CA 0.116 56.405 56.048 0.401 0.000 1.164 368 H CB 0.205 30.026 29.762 0.098 0.000 1.437 368 H HN 0.612 nan 8.280 nan 0.000 0.550 369 W N 1.984 123.372 121.300 0.146 0.000 2.290 369 W HA -0.323 4.349 4.660 0.021 0.000 0.318 369 W C 1.720 178.255 176.519 0.028 0.000 1.248 369 W CA 2.037 59.399 57.345 0.028 0.000 1.263 369 W CB -0.214 29.368 29.460 0.204 0.000 1.147 369 W HN 0.380 nan 8.180 nan 0.000 0.494 370 I N -1.903 118.565 120.570 -0.170 0.000 2.399 370 I HA -0.284 3.899 4.170 0.022 0.000 0.254 370 I C 1.893 177.998 176.117 -0.019 0.000 1.146 370 I CA 1.966 63.016 61.300 -0.417 0.000 1.412 370 I CB -1.363 36.133 38.000 -0.840 0.000 1.076 370 I HN -0.026 nan 8.210 nan 0.000 0.432 371 W N 1.020 122.403 121.300 0.139 0.000 2.436 371 W HA -0.052 4.621 4.660 0.021 0.000 0.284 371 W C 2.431 178.886 176.519 -0.108 0.000 1.225 371 W CA 0.530 57.910 57.345 0.059 0.000 1.271 371 W CB -0.317 29.101 29.460 -0.070 0.000 1.114 371 W HN 0.175 nan 8.180 nan 0.000 0.559 372 Q N -0.229 119.509 119.800 -0.104 0.000 2.392 372 Q HA 0.035 4.388 4.340 0.022 0.000 0.219 372 Q C 0.975 176.656 176.000 -0.531 0.000 0.895 372 Q CA 0.414 56.062 55.803 -0.258 0.000 0.929 372 Q CB -0.238 28.351 28.738 -0.249 0.000 1.077 372 Q HN 0.004 nan 8.270 nan 0.000 0.532 373 E N -0.172 119.506 120.200 -0.870 0.000 2.437 373 E HA 0.114 4.477 4.350 0.022 0.000 0.263 373 E C 0.778 177.242 176.600 -0.227 0.000 1.030 373 E CA 1.240 57.155 56.400 -0.808 0.000 0.934 373 E CB 0.359 29.642 29.700 -0.696 0.000 0.943 373 E HN 0.356 nan 8.360 nan 0.000 0.444 374 G N 4.377 113.131 108.800 -0.076 0.000 2.729 374 G HA2 -0.339 3.634 3.960 0.022 0.000 0.216 374 G HA3 -0.339 3.634 3.960 0.022 0.000 0.216 374 G C 0.619 175.457 174.900 -0.102 0.000 1.252 374 G CA 0.549 45.602 45.100 -0.080 0.000 0.751 374 G HN 0.636 nan 8.290 nan 0.000 0.527 375 N N 0.867 119.481 118.700 -0.143 0.000 2.177 375 N HA 0.257 5.010 4.740 0.022 0.000 0.218 375 N C 0.372 175.924 175.510 0.070 0.000 1.182 375 N CA 0.297 53.316 53.050 -0.050 0.000 0.882 375 N CB 0.398 38.818 38.487 -0.111 0.000 1.052 375 N HN 0.636 nan 8.380 nan 0.000 0.519 376 Q N 0.595 120.473 119.800 0.129 0.000 2.375 376 Q HA 0.537 4.890 4.340 0.022 0.000 0.271 376 Q C -0.944 175.321 176.000 0.442 0.000 1.074 376 Q CA -0.820 55.166 55.803 0.306 0.000 0.808 376 Q CB 3.050 32.021 28.738 0.389 0.000 1.327 376 Q HN 0.388 nan 8.270 nan 0.000 0.441 377 R N 1.671 122.427 120.500 0.425 0.000 2.728 377 R HA 0.255 4.609 4.340 0.022 0.000 0.259 377 R C -1.368 175.021 176.300 0.150 0.000 1.057 377 R CA -0.594 55.746 56.100 0.400 0.000 0.908 377 R CB 0.253 30.770 30.300 0.360 0.000 1.259 377 R HN 0.694 nan 8.270 nan 0.000 0.472 378 L N 0.770 122.033 121.223 0.067 0.000 2.672 378 L HA 0.208 4.561 4.340 0.022 0.000 0.236 378 L C 0.713 177.567 176.870 -0.026 0.000 1.092 378 L CA 0.632 55.417 54.840 -0.092 0.000 0.887 378 L CB 1.022 42.935 42.059 -0.243 0.000 1.168 378 L HN 0.895 nan 8.230 nan 0.000 0.502 379 T N -4.126 110.445 114.554 0.030 0.000 2.950 379 T HA 0.294 4.657 4.350 0.022 0.000 0.288 379 T C 0.801 175.541 174.700 0.067 0.000 1.035 379 T CA -0.769 61.349 62.100 0.029 0.000 1.028 379 T CB 2.145 71.019 68.868 0.010 0.000 1.109 379 T HN -0.070 nan 8.240 nan 0.000 0.514 380 K N 0.388 120.823 120.400 0.059 0.000 2.057 380 K HA -0.019 4.314 4.320 0.022 0.000 0.207 380 K C 0.383 177.042 176.600 0.098 0.000 1.049 380 K CA 1.309 57.637 56.287 0.069 0.000 0.931 380 K CB -0.003 32.527 32.500 0.050 0.000 0.714 380 K HN 0.676 nan 8.250 nan 0.000 0.440 381 E N 0.973 121.242 120.200 0.116 0.000 3.108 381 E HA 0.181 4.544 4.350 0.022 0.000 0.228 381 E C -2.644 174.085 176.600 0.215 0.000 1.176 381 E CA -1.841 54.648 56.400 0.149 0.000 0.881 381 E CB 1.282 31.054 29.700 0.120 0.000 1.354 381 E HN 0.039 nan 8.360 nan 0.000 0.400 382 P HA -0.107 nan 4.420 nan 0.000 0.264 382 P C -0.252 177.264 177.300 0.360 0.000 1.183 382 P CA 0.520 63.765 63.100 0.241 0.000 0.763 382 P CB 0.335 32.244 31.700 0.348 0.000 0.807 383 F N 1.099 121.035 119.950 -0.023 0.000 2.589 383 F HA -0.005 4.535 4.527 0.021 0.000 0.352 383 F C 1.546 177.398 175.800 0.087 0.000 1.168 383 F CA 0.142 58.132 58.000 -0.016 0.000 1.353 383 F CB 0.438 39.371 39.000 -0.113 0.000 1.116 383 F HN 0.265 nan 8.300 nan 0.000 0.608 384 E N 2.323 122.675 120.200 0.254 0.000 2.212 384 E HA 0.422 4.786 4.350 0.022 0.000 0.268 384 E C -0.948 175.777 176.600 0.208 0.000 0.902 384 E CA -0.843 55.714 56.400 0.262 0.000 0.779 384 E CB 2.556 32.369 29.700 0.188 0.000 1.172 384 E HN 0.388 nan 8.360 nan 0.000 0.409 385 I N 2.838 123.566 120.570 0.263 0.000 2.315 385 I HA 0.242 4.425 4.170 0.022 0.000 0.291 385 I C -0.225 175.933 176.117 0.067 0.000 1.006 385 I CA -0.213 61.182 61.300 0.157 0.000 1.265 385 I CB 0.473 38.556 38.000 0.138 0.000 1.387 385 I HN 0.194 nan 8.210 nan 0.000 0.475 386 K N 4.639 125.030 120.400 -0.015 0.000 2.578 386 K HA 0.421 4.754 4.320 0.022 0.000 0.250 386 K C 0.277 176.816 176.600 -0.102 0.000 0.955 386 K CA -0.679 55.567 56.287 -0.069 0.000 0.825 386 K CB 2.036 34.512 32.500 -0.040 0.000 1.151 386 K HN 0.851 nan 8.250 nan 0.000 0.432 387 G N 1.741 110.443 108.800 -0.163 0.000 2.273 387 G HA2 -0.256 3.717 3.960 0.022 0.000 0.280 387 G HA3 -0.256 3.717 3.960 0.022 0.000 0.280 387 G C 0.788 175.610 174.900 -0.131 0.000 1.047 387 G CA 0.831 45.844 45.100 -0.145 0.000 0.869 387 G HN 1.173 nan 8.290 nan 0.000 0.502 388 G N -2.347 106.310 108.800 -0.238 0.000 2.184 388 G HA2 -0.198 3.775 3.960 0.022 0.000 0.264 388 G HA3 -0.198 3.775 3.960 0.022 0.000 0.264 388 G C 0.321 175.214 174.900 -0.012 0.000 0.975 388 G CA 0.883 45.892 45.100 -0.153 0.000 0.642 388 G HN 1.477 nan 8.290 nan 0.000 0.536 389 L N 0.106 121.316 121.223 -0.022 0.000 2.334 389 L HA 0.782 5.135 4.340 0.022 0.000 0.276 389 L C 0.094 176.981 176.870 0.028 0.000 1.014 389 L CA -1.335 53.515 54.840 0.016 0.000 0.815 389 L CB 2.321 44.380 42.059 -0.000 0.000 1.268 389 L HN -0.081 nan 8.230 nan 0.000 0.428 390 V N 1.954 121.897 119.914 0.048 0.000 2.448 390 V HA 0.355 4.488 4.120 0.022 0.000 0.295 390 V C -0.304 175.771 176.094 -0.032 0.000 1.025 390 V CA -0.793 61.531 62.300 0.041 0.000 0.859 390 V CB 1.665 33.559 31.823 0.120 0.000 0.988 390 V HN 0.622 nan 8.190 nan 0.000 0.431 391 Q N 2.814 122.547 119.800 -0.112 0.000 2.261 391 Q HA 0.398 4.751 4.340 0.022 0.000 0.252 391 Q C -0.480 175.359 176.000 -0.268 0.000 0.915 391 Q CA -0.367 55.339 55.803 -0.163 0.000 0.915 391 Q CB 1.922 30.558 28.738 -0.170 0.000 1.204 391 Q HN 0.559 nan 8.270 nan 0.000 0.421 392 V N 5.519 125.306 119.914 -0.211 0.000 2.405 392 V HA 0.169 4.302 4.120 0.022 0.000 0.264 392 V C -1.929 174.023 176.094 -0.236 0.000 1.048 392 V CA -1.455 60.683 62.300 -0.270 0.000 0.966 392 V CB 0.386 32.089 31.823 -0.200 0.000 1.015 392 V HN 0.610 nan 8.190 nan 0.000 0.477 393 P HA 0.095 nan 4.420 nan 0.000 0.269 393 P C 0.743 178.043 177.300 0.000 0.000 1.209 393 P CA -0.181 62.834 63.100 -0.142 0.000 0.776 393 P CB 0.724 32.361 31.700 -0.105 0.000 0.876 394 E N 3.453 123.643 120.200 -0.017 0.000 2.170 394 E HA -0.090 4.273 4.350 0.022 0.000 0.191 394 E C 0.123 176.733 176.600 0.017 0.000 0.981 394 E CA 0.776 57.176 56.400 0.001 0.000 0.830 394 E CB -0.571 29.116 29.700 -0.021 0.000 0.775 394 E HN 0.556 nan 8.360 nan 0.000 0.470 395 K N 2.127 122.535 120.400 0.013 0.000 2.344 395 K HA 0.172 4.505 4.320 0.022 0.000 0.260 395 K C -2.311 174.295 176.600 0.012 0.000 0.988 395 K CA -1.470 54.822 56.287 0.008 0.000 0.909 395 K CB -0.597 31.905 32.500 0.003 0.000 0.968 395 K HN -0.133 nan 8.250 nan 0.000 0.505 396 P HA 0.030 nan 4.420 nan 0.000 0.269 396 P C 0.579 177.842 177.300 -0.062 0.000 1.209 396 P CA 0.835 63.912 63.100 -0.038 0.000 0.776 396 P CB 0.706 32.380 31.700 -0.042 0.000 0.876 397 G N 1.585 110.325 108.800 -0.100 0.000 2.539 397 G HA2 -0.297 3.676 3.960 0.022 0.000 0.256 397 G HA3 -0.297 3.676 3.960 0.022 0.000 0.256 397 G C 0.675 175.433 174.900 -0.237 0.000 1.233 397 G CA 0.063 45.077 45.100 -0.144 0.000 0.936 397 G HN 0.463 nan 8.290 nan 0.000 0.571 398 L N 1.936 123.054 121.223 -0.175 0.000 2.376 398 L HA 0.322 4.675 4.340 0.022 0.000 0.219 398 L C 2.417 179.393 176.870 0.177 0.000 1.133 398 L CA 1.246 56.004 54.840 -0.137 0.000 0.816 398 L CB -0.511 41.500 42.059 -0.080 0.000 0.933 398 L HN 2.149 nan 8.230 nan 0.000 0.449 399 G N 0.807 109.681 108.800 0.124 0.000 2.176 399 G HA2 -0.228 3.745 3.960 0.022 0.000 0.252 399 G HA3 -0.228 3.745 3.960 0.022 0.000 0.252 399 G C 0.095 175.146 174.900 0.251 0.000 1.024 399 G CA 0.311 45.534 45.100 0.205 0.000 0.755 399 G HN 0.323 nan 8.290 nan 0.000 0.507 400 V N -3.816 116.177 119.914 0.132 0.000 3.001 400 V HA 0.924 5.057 4.120 0.022 0.000 0.314 400 V C -0.312 175.802 176.094 0.034 0.000 1.099 400 V CA -1.225 61.131 62.300 0.092 0.000 0.989 400 V CB 2.352 34.169 31.823 -0.011 0.000 1.040 400 V HN 0.316 nan 8.190 nan 0.000 0.434 401 E N 2.215 122.434 120.200 0.031 0.000 2.220 401 E HA 0.463 4.826 4.350 0.022 0.000 0.256 401 E C -0.834 175.768 176.600 0.002 0.000 0.881 401 E CA -0.824 55.582 56.400 0.010 0.000 0.766 401 E CB 1.904 31.614 29.700 0.017 0.000 1.187 401 E HN 0.874 nan 8.360 nan 0.000 0.419 402 I N 3.335 123.896 120.570 -0.015 0.000 2.710 402 I HA -0.037 4.146 4.170 0.022 0.000 0.286 402 I C -0.252 175.854 176.117 -0.018 0.000 1.181 402 I CA 0.604 61.889 61.300 -0.025 0.000 1.430 402 I CB 0.449 38.427 38.000 -0.037 0.000 1.367 402 I HN 0.462 nan 8.210 nan 0.000 0.577 403 D N 8.248 128.636 120.400 -0.020 0.000 2.473 403 D HA 0.132 4.785 4.640 0.022 0.000 0.226 403 D C 0.800 177.084 176.300 -0.028 0.000 1.089 403 D CA -0.434 53.559 54.000 -0.012 0.000 0.883 403 D CB 1.133 41.935 40.800 0.005 0.000 1.029 403 D HN 0.512 nan 8.370 nan 0.000 0.517 404 M N 1.632 121.217 119.600 -0.026 0.000 2.279 404 M HA -0.109 4.384 4.480 0.022 0.000 0.264 404 M C 1.141 177.425 176.300 -0.027 0.000 1.062 404 M CA 0.932 56.211 55.300 -0.034 0.000 1.099 404 M CB -0.341 32.240 32.600 -0.030 0.000 1.394 404 M HN 0.386 nan 8.290 nan 0.000 0.426 405 D N -0.113 120.278 120.400 -0.014 0.000 2.097 405 D HA -0.140 4.513 4.640 0.022 0.000 0.197 405 D C 2.083 178.379 176.300 -0.007 0.000 0.984 405 D CA 1.026 55.023 54.000 -0.005 0.000 0.826 405 D CB 0.024 40.827 40.800 0.005 0.000 0.973 405 D HN 0.329 nan 8.370 nan 0.000 0.460 406 Q N 0.629 120.421 119.800 -0.012 0.000 2.084 406 Q HA -0.092 4.261 4.340 0.022 0.000 0.202 406 Q C 2.543 178.505 176.000 -0.063 0.000 0.978 406 Q CA 0.526 56.316 55.803 -0.021 0.000 0.844 406 Q CB -0.598 28.129 28.738 -0.019 0.000 0.898 406 Q HN 0.206 nan 8.270 nan 0.000 0.426 407 V N 1.058 120.923 119.914 -0.081 0.000 2.261 407 V HA -0.277 3.856 4.120 0.022 0.000 0.246 407 V C 2.338 178.404 176.094 -0.047 0.000 1.047 407 V CA 1.630 63.864 62.300 -0.109 0.000 1.015 407 V CB -0.479 31.278 31.823 -0.110 0.000 0.642 407 V HN 0.333 nan 8.190 nan 0.000 0.446 408 M N -0.446 119.144 119.600 -0.016 0.000 2.213 408 M HA -0.148 4.345 4.480 0.022 0.000 0.263 408 M C 2.069 178.405 176.300 0.059 0.000 1.062 408 M CA 1.582 56.909 55.300 0.044 0.000 1.105 408 M CB -1.241 31.377 32.600 0.029 0.000 1.385 408 M HN 0.354 nan 8.290 nan 0.000 0.417 409 K N 0.248 120.659 120.400 0.018 0.000 2.057 409 K HA -0.067 4.266 4.320 0.022 0.000 0.207 409 K C 2.154 178.756 176.600 0.003 0.000 1.049 409 K CA 1.567 57.863 56.287 0.014 0.000 0.931 409 K CB -0.324 32.188 32.500 0.020 0.000 0.714 409 K HN 0.304 nan 8.250 nan 0.000 0.440 410 A N 1.090 123.900 122.820 -0.017 0.000 1.898 410 A HA -0.213 4.120 4.320 0.022 0.000 0.216 410 A C 2.017 179.597 177.584 -0.007 0.000 1.181 410 A CA 1.802 53.815 52.037 -0.041 0.000 0.620 410 A CB -0.740 18.168 19.000 -0.153 0.000 0.819 410 A HN 0.401 nan 8.150 nan 0.000 0.442 411 H N -0.000 119.015 119.070 -0.092 0.000 2.293 411 H HA -0.058 4.511 4.556 0.022 0.000 0.300 411 H C 2.195 177.525 175.328 0.004 0.000 1.082 411 H CA 3.182 59.183 56.048 -0.077 0.000 1.308 411 H CB -0.519 29.188 29.762 -0.091 0.000 1.375 411 H HN 0.458 nan 8.280 nan 0.000 0.495 412 E N 1.019 121.121 120.200 -0.164 0.000 2.097 412 E HA -0.177 4.186 4.350 0.022 0.000 0.196 412 E C 2.323 178.828 176.600 -0.158 0.000 1.000 412 E CA 1.437 57.717 56.400 -0.200 0.000 0.804 412 E CB -1.197 28.463 29.700 -0.067 0.000 0.740 412 E HN 0.496 nan 8.360 nan 0.000 0.454 413 L N -0.923 120.239 121.223 -0.101 0.000 2.079 413 L HA -0.087 4.266 4.340 0.022 0.000 0.210 413 L C 2.507 179.322 176.870 -0.092 0.000 1.081 413 L CA 2.397 57.172 54.840 -0.108 0.000 0.752 413 L CB -0.548 41.392 42.059 -0.199 0.000 0.896 413 L HN 0.551 nan 8.230 nan 0.000 0.433 414 Y N -0.718 119.436 120.300 -0.244 0.000 2.200 414 Y HA -0.255 4.308 4.550 0.021 0.000 0.290 414 Y C 2.563 178.346 175.900 -0.194 0.000 1.137 414 Y CA 1.784 59.757 58.100 -0.211 0.000 1.163 414 Y CB -0.051 38.309 38.460 -0.167 0.000 0.988 414 Y HN 0.248 nan 8.280 nan 0.000 0.518 415 Q N 0.914 120.677 119.800 -0.061 0.000 2.020 415 Q HA -0.212 4.142 4.340 0.022 0.000 0.202 415 Q C 2.298 178.186 176.000 -0.187 0.000 0.982 415 Q CA 1.735 57.457 55.803 -0.134 0.000 0.838 415 Q CB -0.555 28.041 28.738 -0.235 0.000 0.899 415 Q HN 0.487 nan 8.270 nan 0.000 0.423 416 K N 0.122 120.397 120.400 -0.209 0.000 2.015 416 K HA -0.183 4.150 4.320 0.022 0.000 0.216 416 K C 1.627 177.975 176.600 -0.420 0.000 1.052 416 K CA 1.506 57.606 56.287 -0.312 0.000 0.937 416 K CB -0.166 32.114 32.500 -0.367 0.000 0.719 416 K HN 0.426 nan 8.250 nan 0.000 0.446 417 H N -0.909 117.988 119.070 -0.288 0.000 2.547 417 H HA 0.063 4.632 4.556 0.022 0.000 0.266 417 H C 0.714 175.891 175.328 -0.252 0.000 0.988 417 H CA 0.553 56.443 56.048 -0.263 0.000 1.147 417 H CB 0.105 29.664 29.762 -0.339 0.000 1.365 417 H HN 0.563 nan 8.280 nan 0.000 0.589 418 G N 1.909 110.573 108.800 -0.226 0.000 2.371 418 G HA2 -0.288 3.685 3.960 0.022 0.000 0.299 418 G HA3 -0.288 3.685 3.960 0.022 0.000 0.299 418 G C 0.233 174.924 174.900 -0.347 0.000 1.014 418 G CA 0.147 45.094 45.100 -0.255 0.000 1.097 418 G HN 0.279 nan 8.290 nan 0.000 0.512 419 L N -0.822 120.010 121.223 -0.650 0.000 2.482 419 L HA 0.751 5.104 4.340 0.022 0.000 0.242 419 L C 1.456 177.917 176.870 -0.682 0.000 1.210 419 L CA 0.270 54.710 54.840 -0.665 0.000 0.819 419 L CB 0.866 42.541 42.059 -0.640 0.000 1.203 419 L HN 0.526 nan 8.230 nan 0.000 0.495 420 G N -1.139 107.507 108.800 -0.257 0.000 2.637 420 G HA2 0.457 4.430 3.960 0.022 0.000 0.112 420 G HA3 0.457 4.430 3.960 0.022 0.000 0.112 420 G C -1.544 173.395 174.900 0.065 0.000 1.181 420 G CA 0.064 45.175 45.100 0.019 0.000 1.150 420 G HN 0.768 nan 8.290 nan 0.000 0.561 421 A N 0.187 123.035 122.820 0.048 0.000 2.425 421 A HA 0.640 4.973 4.320 0.022 0.000 0.249 421 A C 0.833 178.408 177.584 -0.016 0.000 1.084 421 A CA 0.132 52.189 52.037 0.034 0.000 0.781 421 A CB 0.165 19.205 19.000 0.068 0.000 1.019 421 A HN 0.897 nan 8.150 nan 0.000 0.490 422 R N 0.974 121.414 120.500 -0.102 0.000 2.523 422 R HA 0.014 4.367 4.340 0.022 0.000 0.281 422 R C -1.176 175.056 176.300 -0.113 0.000 0.969 422 R CA 0.838 56.783 56.100 -0.259 0.000 1.093 422 R CB 0.159 30.017 30.300 -0.737 0.000 0.917 422 R HN 0.678 nan 8.270 nan 0.000 0.408 423 D N 2.981 123.324 120.400 -0.095 0.000 2.336 423 D HA 0.153 4.806 4.640 0.022 0.000 0.248 423 D C -0.895 175.403 176.300 -0.002 0.000 1.326 423 D CA -0.550 53.455 54.000 0.008 0.000 0.973 423 D CB 1.152 41.973 40.800 0.036 0.000 1.255 423 D HN 0.494 nan 8.370 nan 0.000 0.558 424 D N 1.700 122.116 120.400 0.027 0.000 2.349 424 D HA 0.133 4.786 4.640 0.022 0.000 0.224 424 D C 1.629 177.951 176.300 0.037 0.000 1.029 424 D CA 0.340 54.352 54.000 0.020 0.000 0.879 424 D CB 0.528 41.361 40.800 0.056 0.000 0.906 424 D HN 0.451 nan 8.370 nan 0.000 0.528 425 A N 0.304 123.216 122.820 0.153 0.000 2.030 425 A HA 0.013 4.346 4.320 0.022 0.000 0.215 425 A C 1.968 179.629 177.584 0.127 0.000 1.164 425 A CA 0.213 52.411 52.037 0.269 0.000 0.697 425 A CB -0.238 19.063 19.000 0.501 0.000 0.827 425 A HN 0.102 nan 8.150 nan 0.000 0.457 426 M N 0.653 120.303 119.600 0.082 0.000 2.163 426 M HA -0.195 4.298 4.480 0.022 0.000 0.258 426 M C 2.096 178.435 176.300 0.065 0.000 1.071 426 M CA 2.453 57.788 55.300 0.058 0.000 1.093 426 M CB -1.517 31.121 32.600 0.063 0.000 1.285 426 M HN 0.374 nan 8.290 nan 0.000 0.420 427 G N 0.599 109.458 108.800 0.099 0.000 2.476 427 G HA2 -0.264 3.709 3.960 0.022 0.000 0.218 427 G HA3 -0.264 3.709 3.960 0.022 0.000 0.218 427 G C 1.425 176.375 174.900 0.082 0.000 1.164 427 G CA 1.200 46.409 45.100 0.181 0.000 0.768 427 G HN 0.476 nan 8.290 nan 0.000 0.560 428 M N 0.553 120.075 119.600 -0.129 0.000 2.346 428 M HA -0.078 4.415 4.480 0.022 0.000 0.263 428 M C 2.578 178.814 176.300 -0.107 0.000 1.064 428 M CA 0.869 55.986 55.300 -0.306 0.000 1.083 428 M CB -0.946 31.116 32.600 -0.897 0.000 1.399 428 M HN 0.244 nan 8.290 nan 0.000 0.435 429 Q N -0.320 119.430 119.800 -0.084 0.000 2.096 429 Q HA -0.157 4.196 4.340 0.022 0.000 0.204 429 Q C 1.896 177.775 176.000 -0.200 0.000 0.982 429 Q CA 1.782 57.492 55.803 -0.155 0.000 0.850 429 Q CB -0.962 27.592 28.738 -0.306 0.000 0.901 429 Q HN 0.621 nan 8.270 nan 0.000 0.422 430 Y N -0.150 120.162 120.300 0.019 0.000 2.574 430 Y HA -0.115 4.448 4.550 0.022 0.000 0.294 430 Y C 1.854 177.755 175.900 0.002 0.000 1.142 430 Y CA 0.276 58.385 58.100 0.014 0.000 1.314 430 Y CB 0.033 38.503 38.460 0.017 0.000 0.991 430 Y HN 0.019 nan 8.280 nan 0.000 0.555 431 L N -1.228 120.045 121.223 0.084 0.000 2.349 431 L HA 0.196 4.549 4.340 0.022 0.000 0.200 431 L C 0.203 177.096 176.870 0.038 0.000 1.064 431 L CA 0.780 55.640 54.840 0.034 0.000 0.821 431 L CB 0.306 42.338 42.059 -0.044 0.000 1.027 431 L HN -0.050 nan 8.230 nan 0.000 0.476 432 I N 1.111 121.711 120.570 0.050 0.000 2.503 432 I HA 0.267 4.450 4.170 0.022 0.000 0.282 432 I C -2.415 173.780 176.117 0.130 0.000 1.059 432 I CA -1.896 59.475 61.300 0.118 0.000 1.081 432 I CB 1.910 40.047 38.000 0.227 0.000 1.210 432 I HN -0.138 nan 8.210 nan 0.000 0.450 433 P HA 0.019 nan 4.420 nan 0.000 0.260 433 P C 0.960 178.303 177.300 0.072 0.000 1.185 433 P CA 0.764 63.892 63.100 0.047 0.000 0.763 433 P CB 0.432 32.150 31.700 0.029 0.000 0.776 434 G N 2.103 110.941 108.800 0.063 0.000 2.168 434 G HA2 -0.271 3.702 3.960 0.022 0.000 0.257 434 G HA3 -0.271 3.702 3.960 0.022 0.000 0.257 434 G C -0.024 174.939 174.900 0.106 0.000 0.997 434 G CA -0.219 44.919 45.100 0.063 0.000 0.708 434 G HN 0.593 nan 8.290 nan 0.000 0.520 435 W N 1.992 123.287 121.300 -0.008 0.000 2.391 435 W HA 0.391 5.063 4.660 0.021 0.000 0.339 435 W C 0.984 177.525 176.519 0.036 0.000 1.252 435 W CA 1.185 58.540 57.345 0.016 0.000 1.304 435 W CB 0.489 29.964 29.460 0.026 0.000 1.179 435 W HN 0.683 nan 8.180 nan 0.000 0.567 436 T N 4.377 118.443 114.554 -0.814 0.000 2.900 436 T HA 0.433 4.796 4.350 0.022 0.000 0.295 436 T C -0.865 172.918 174.700 -1.527 0.000 1.044 436 T CA -1.040 60.566 62.100 -0.822 0.000 0.995 436 T CB 1.193 69.850 68.868 -0.350 0.000 1.072 436 T HN 0.408 nan 8.240 nan 0.000 0.473 437 F N 2.454 121.743 119.950 -1.101 0.000 2.529 437 F HA 0.469 5.008 4.527 0.021 0.000 0.365 437 F C 0.074 175.652 175.800 -0.370 0.000 1.102 437 F CA -0.273 57.336 58.000 -0.652 0.000 1.271 437 F CB 0.475 39.406 39.000 -0.114 0.000 1.120 437 F HN 0.705 nan 8.300 nan 0.000 0.579 438 D N 5.724 125.510 120.400 -1.022 0.000 2.476 438 D HA 0.076 4.729 4.640 0.022 0.000 0.251 438 D C 0.496 176.171 176.300 -1.042 0.000 1.291 438 D CA -0.402 53.084 54.000 -0.857 0.000 0.939 438 D CB 0.518 41.056 40.800 -0.436 0.000 1.221 438 D HN 0.681 nan 8.370 nan 0.000 0.567 439 N N 3.034 121.035 118.700 -1.165 0.000 2.585 439 N HA -0.164 4.589 4.740 0.022 0.000 0.188 439 N C 0.281 175.646 175.510 -0.242 0.000 1.102 439 N CA 0.761 53.464 53.050 -0.580 0.000 0.920 439 N CB 0.178 38.559 38.487 -0.176 0.000 0.963 439 N HN 0.257 nan 8.380 nan 0.000 0.447 440 K N -0.061 120.196 120.400 -0.238 0.000 2.537 440 K HA 0.210 4.543 4.320 0.022 0.000 0.206 440 K C -0.296 176.269 176.600 -0.057 0.000 1.041 440 K CA -0.164 56.060 56.287 -0.104 0.000 1.090 440 K CB 1.183 33.642 32.500 -0.068 0.000 0.833 440 K HN 0.185 nan 8.250 nan 0.000 0.493 441 R N 1.737 122.189 120.500 -0.080 0.000 2.518 441 R HA 0.230 4.583 4.340 0.022 0.000 0.287 441 R C -2.981 173.350 176.300 0.052 0.000 1.135 441 R CA -1.602 54.494 56.100 -0.006 0.000 0.967 441 R CB 1.798 32.070 30.300 -0.047 0.000 1.212 441 R HN -0.174 nan 8.270 nan 0.000 0.422 442 P HA -0.085 nan 4.420 nan 0.000 0.261 442 P C 1.297 178.715 177.300 0.197 0.000 1.173 442 P CA -0.069 63.122 63.100 0.152 0.000 0.760 442 P CB 0.295 32.090 31.700 0.159 0.000 0.783 443 C N 3.320 122.786 119.300 0.277 0.000 2.385 443 C HA -0.216 4.257 4.460 0.022 0.000 0.275 443 C C 2.046 177.251 174.990 0.358 0.000 1.199 443 C CA 1.156 60.437 59.018 0.439 0.000 1.782 443 C CB -1.765 26.163 27.740 0.313 0.000 2.068 443 C HN 0.409 nan 8.230 nan 0.000 0.471 444 M N 0.974 120.668 119.600 0.156 0.000 2.595 444 M HA 0.240 4.733 4.480 0.022 0.000 0.248 444 M C 0.662 177.024 176.300 0.104 0.000 1.119 444 M CA 0.327 55.681 55.300 0.090 0.000 1.079 444 M CB -0.705 31.890 32.600 -0.008 0.000 1.472 444 M HN 0.291 nan 8.290 nan 0.000 0.501 445 V N 2.882 122.869 119.914 0.123 0.000 2.299 445 V HA 0.273 4.406 4.120 0.022 0.000 0.255 445 V C 0.386 176.534 176.094 0.091 0.000 1.100 445 V CA -0.305 62.047 62.300 0.087 0.000 0.938 445 V CB -0.210 31.655 31.823 0.070 0.000 1.139 445 V HN 0.226 nan 8.190 nan 0.000 0.490 446 R N 0.000 120.552 120.500 0.087 0.000 2.786 446 R HA 0.000 4.353 4.340 0.022 0.000 0.208 446 R CA 0.000 56.143 56.100 0.072 0.000 0.921 446 R CB 0.000 30.382 30.300 0.137 0.000 0.687 446 R HN 0.000 nan 8.270 nan 0.000 0.535