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 1rbl_1_H DATA FIRST_RESID 9 DATA SEQUENCE SAAGYKAGVK DYKLTYYTPD YTPKDTDLLA AFRFSPQPGV PADEAGAAIA DATA SEQUENCE AESSTGTWTT VWTDLLTDMD RYKGKCYHIE PVAGEENSYF AFIAYPLDLF DATA SEQUENCE EEGSVTNILT SIVGNVFGFK AIRSLRLEDI RFPVALVKTF QGPPHGIQVE DATA SEQUENCE RDLLNKYGRP MLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENINS DATA SEQUENCE QPFQRWRDRF LFVADAIHKS QAETGEIKGH YLNVTAPTCE EMMKRAEFAK DATA SEQUENCE ELGMPIIMHD FLTAGFTANT TLAKWCRDNG VLLHIHRAMH AVIDRQRNHG DATA SEQUENCE IHFRVLAKCL RLSGGDHLHS GTVVGKLEGD KASTLGFVDL MREDHIEADR DATA SEQUENCE SRGVFFTQDW ASMPGVLPVA SGGIHVWHMP ALVEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAT ANRVALEACV QARNEGRDLY REGGDILREA GKWSPELAAA DATA SEQUENCE LDLWKEIKFE FETMDKL 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.611 174.600 0.018 0.000 1.055 9 S CA 0.000 58.208 58.200 0.013 0.000 1.107 9 S CB 0.000 63.209 63.200 0.016 0.000 0.593 10 A N 0.444 123.281 122.820 0.027 0.000 2.515 10 A HA 0.610 4.929 4.320 -0.001 0.000 0.263 10 A C 0.976 178.587 177.584 0.044 0.000 1.096 10 A CA 0.159 52.220 52.037 0.039 0.000 0.769 10 A CB -0.733 18.298 19.000 0.052 0.000 1.040 10 A HN 1.866 nan 8.150 nan 0.000 0.505 11 A N 3.137 125.984 122.820 0.045 0.000 2.476 11 A HA 0.530 4.849 4.320 -0.001 0.000 0.263 11 A C 1.186 178.800 177.584 0.050 0.000 1.342 11 A CA 0.577 52.636 52.037 0.037 0.000 0.926 11 A CB -1.206 17.808 19.000 0.024 0.000 1.019 11 A HN 2.746 nan 8.150 nan 0.000 0.515 12 G N -1.146 107.698 108.800 0.073 0.000 2.879 12 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.686 12 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.686 12 G C -0.620 174.375 174.900 0.158 0.000 1.115 12 G CA -0.254 44.902 45.100 0.092 0.000 0.770 12 G HN 1.206 nan 8.290 nan 0.000 0.601 13 Y N 2.995 123.317 120.300 0.037 0.000 2.425 13 Y HA 0.596 5.145 4.550 -0.001 0.000 0.347 13 Y C 0.582 176.497 175.900 0.025 0.000 0.976 13 Y CA -1.359 56.773 58.100 0.052 0.000 1.190 13 Y CB 0.752 39.270 38.460 0.097 0.000 1.136 13 Y HN 0.623 nan 8.280 nan 0.000 0.517 14 K N 5.309 125.578 120.400 -0.218 0.000 2.367 14 K HA 0.799 5.119 4.320 -0.001 0.000 0.263 14 K C -0.501 175.788 176.600 -0.520 0.000 1.000 14 K CA -0.677 55.389 56.287 -0.369 0.000 0.891 14 K CB 1.265 33.671 32.500 -0.157 0.000 1.117 14 K HN 0.586 nan 8.250 nan 0.000 0.443 15 A N 2.781 125.126 122.820 -0.792 0.000 2.406 15 A HA 0.670 4.990 4.320 -0.001 0.000 0.243 15 A C 0.710 178.158 177.584 -0.226 0.000 1.082 15 A CA 0.653 52.392 52.037 -0.497 0.000 0.786 15 A CB -0.307 18.462 19.000 -0.384 0.000 1.029 15 A HN 1.207 nan 8.150 nan 0.000 0.495 16 G N -1.364 107.346 108.800 -0.151 0.000 2.357 16 G HA2 0.330 4.290 3.960 -0.001 0.000 0.643 16 G HA3 0.330 4.290 3.960 -0.001 0.000 0.643 16 G C -0.942 173.882 174.900 -0.128 0.000 1.358 16 G CA -0.456 44.573 45.100 -0.119 0.000 0.986 16 G HN 1.437 nan 8.290 nan 0.000 0.620 17 V N 1.572 121.431 119.914 -0.091 0.000 2.488 17 V HA 0.440 4.559 4.120 -0.001 0.000 0.277 17 V C 0.705 176.755 176.094 -0.074 0.000 1.046 17 V CA 0.114 62.362 62.300 -0.086 0.000 0.986 17 V CB 1.000 32.833 31.823 0.015 0.000 0.989 17 V HN 0.685 nan 8.190 nan 0.000 0.475 18 K N 2.474 122.810 120.400 -0.106 0.000 2.238 18 K HA 0.449 4.768 4.320 -0.001 0.000 0.239 18 K C -0.950 175.576 176.600 -0.122 0.000 0.987 18 K CA -1.086 55.152 56.287 -0.082 0.000 0.857 18 K CB 1.365 33.830 32.500 -0.058 0.000 1.154 18 K HN 0.524 nan 8.250 nan 0.000 0.439 19 D N 1.049 121.415 120.400 -0.056 0.000 2.455 19 D HA -0.028 4.612 4.640 -0.001 0.000 0.241 19 D C 0.833 177.148 176.300 0.025 0.000 1.138 19 D CA 0.504 54.491 54.000 -0.022 0.000 0.877 19 D CB 0.361 41.181 40.800 0.035 0.000 1.187 19 D HN 0.417 nan 8.370 nan 0.000 0.451 20 Y N 1.438 121.791 120.300 0.089 0.000 2.224 20 Y HA -0.221 4.328 4.550 -0.001 0.000 0.289 20 Y C 2.298 178.310 175.900 0.186 0.000 1.146 20 Y CA 1.308 59.497 58.100 0.149 0.000 1.182 20 Y CB -0.271 38.209 38.460 0.034 0.000 0.983 20 Y HN 0.459 nan 8.280 nan 0.000 0.524 21 K N 0.284 120.843 120.400 0.264 0.000 2.442 21 K HA -0.075 4.244 4.320 -0.001 0.000 0.198 21 K C 1.476 178.196 176.600 0.199 0.000 1.042 21 K CA 1.224 57.646 56.287 0.224 0.000 0.958 21 K CB -0.526 32.042 32.500 0.114 0.000 0.766 21 K HN 0.327 nan 8.250 nan 0.000 0.474 22 L N 1.056 122.362 121.223 0.137 0.000 2.141 22 L HA -0.085 4.254 4.340 -0.001 0.000 0.209 22 L C 1.595 178.479 176.870 0.023 0.000 1.094 22 L CA 1.331 56.215 54.840 0.074 0.000 0.763 22 L CB -0.375 41.709 42.059 0.041 0.000 0.908 22 L HN 0.356 nan 8.230 nan 0.000 0.437 23 T N -2.952 111.605 114.554 0.006 0.000 3.018 23 T HA 0.029 4.378 4.350 -0.001 0.000 0.246 23 T C 1.078 175.567 174.700 -0.351 0.000 1.026 23 T CA 0.419 62.376 62.100 -0.239 0.000 1.081 23 T CB 0.101 68.703 68.868 -0.444 0.000 0.970 23 T HN 0.138 nan 8.240 nan 0.000 0.475 24 Y N -0.528 119.812 120.300 0.067 0.000 2.445 24 Y HA 0.412 4.961 4.550 -0.001 0.000 0.247 24 Y C 0.035 175.982 175.900 0.078 0.000 1.129 24 Y CA -1.283 56.836 58.100 0.032 0.000 1.251 24 Y CB 0.492 38.959 38.460 0.011 0.000 1.176 24 Y HN 0.157 nan 8.280 nan 0.000 0.522 25 Y N 2.308 122.662 120.300 0.091 0.000 2.404 25 Y HA 0.403 4.953 4.550 -0.001 0.000 0.344 25 Y C 0.077 176.013 175.900 0.060 0.000 0.970 25 Y CA -1.370 56.768 58.100 0.063 0.000 1.180 25 Y CB 0.638 39.129 38.460 0.051 0.000 1.138 25 Y HN 0.043 nan 8.280 nan 0.000 0.510 26 T N 5.636 120.020 114.554 -0.283 0.000 3.504 26 T HA 0.257 4.606 4.350 -0.001 0.000 0.286 26 T C -2.281 172.316 174.700 -0.173 0.000 1.530 26 T CA -1.646 60.334 62.100 -0.200 0.000 1.652 26 T CB 0.901 69.733 68.868 -0.059 0.000 0.895 26 T HN 0.464 nan 8.240 nan 0.000 0.674 27 P HA 0.031 nan 4.420 nan 0.000 0.228 27 P C 0.201 177.512 177.300 0.018 0.000 1.151 27 P CA 0.778 63.759 63.100 -0.198 0.000 0.770 27 P CB 0.196 31.720 31.700 -0.294 0.000 0.786 28 D N -2.105 118.299 120.400 0.006 0.000 2.340 28 D HA 0.030 4.669 4.640 -0.001 0.000 0.217 28 D C 0.133 176.472 176.300 0.065 0.000 1.081 28 D CA -0.223 53.797 54.000 0.034 0.000 0.842 28 D CB -0.629 40.176 40.800 0.009 0.000 0.934 28 D HN 0.144 nan 8.370 nan 0.000 0.511 29 Y N 1.250 121.542 120.300 -0.013 0.000 2.377 29 Y HA 0.258 4.808 4.550 -0.001 0.000 0.330 29 Y C -0.056 175.783 175.900 -0.101 0.000 1.108 29 Y CA -0.137 57.935 58.100 -0.045 0.000 1.308 29 Y CB 0.717 39.162 38.460 -0.025 0.000 1.216 29 Y HN -0.285 nan 8.280 nan 0.000 0.518 30 T N 9.404 123.466 114.554 -0.821 0.000 2.756 30 T HA 0.318 4.667 4.350 -0.001 0.000 0.290 30 T C -2.611 171.427 174.700 -1.103 0.000 0.985 30 T CA -1.422 60.238 62.100 -0.733 0.000 0.955 30 T CB 0.944 69.567 68.868 -0.409 0.000 0.930 30 T HN 0.458 nan 8.240 nan 0.000 0.451 31 P HA 0.157 nan 4.420 nan 0.000 0.265 31 P C 0.004 177.106 177.300 -0.329 0.000 1.193 31 P CA -0.243 62.534 63.100 -0.538 0.000 0.765 31 P CB 0.592 32.034 31.700 -0.430 0.000 0.823 32 K N 1.876 122.176 120.400 -0.167 0.000 2.107 32 K HA 0.122 4.441 4.320 -0.001 0.000 0.251 32 K C 0.686 177.247 176.600 -0.064 0.000 1.012 32 K CA -0.459 55.771 56.287 -0.095 0.000 0.920 32 K CB 0.426 32.911 32.500 -0.024 0.000 1.033 32 K HN 0.362 nan 8.250 nan 0.000 0.478 33 D N 0.597 120.966 120.400 -0.050 0.000 2.348 33 D HA -0.085 4.555 4.640 -0.001 0.000 0.216 33 D C 1.389 177.677 176.300 -0.020 0.000 0.970 33 D CA 1.163 55.140 54.000 -0.039 0.000 0.889 33 D CB 0.091 40.873 40.800 -0.030 0.000 0.912 33 D HN 0.642 nan 8.370 nan 0.000 0.524 34 T N -2.493 112.062 114.554 0.001 0.000 3.081 34 T HA 0.029 4.378 4.350 -0.001 0.000 0.250 34 T C 0.572 175.307 174.700 0.057 0.000 1.100 34 T CA -0.436 61.681 62.100 0.030 0.000 1.038 34 T CB 0.367 69.259 68.868 0.041 0.000 0.962 34 T HN -0.234 nan 8.240 nan 0.000 0.516 35 D N 2.153 122.582 120.400 0.048 0.000 2.382 35 D HA 0.209 4.848 4.640 -0.001 0.000 0.245 35 D C -0.174 176.148 176.300 0.037 0.000 1.120 35 D CA -0.499 53.556 54.000 0.092 0.000 0.890 35 D CB 0.819 41.676 40.800 0.095 0.000 1.201 35 D HN 0.122 nan 8.370 nan 0.000 0.433 36 L N 3.597 124.879 121.223 0.098 0.000 2.290 36 L HA 0.335 4.674 4.340 -0.001 0.000 0.284 36 L C -0.973 175.906 176.870 0.015 0.000 1.078 36 L CA -0.226 54.568 54.840 -0.077 0.000 0.815 36 L CB 0.004 41.938 42.059 -0.208 0.000 1.162 36 L HN 0.285 nan 8.230 nan 0.000 0.435 37 L N 5.096 126.174 121.223 -0.241 0.000 2.325 37 L HA 0.795 5.134 4.340 -0.001 0.000 0.278 37 L C -0.031 176.667 176.870 -0.287 0.000 1.023 37 L CA -0.625 54.081 54.840 -0.224 0.000 0.811 37 L CB 1.620 43.302 42.059 -0.629 0.000 1.249 37 L HN 0.762 nan 8.230 nan 0.000 0.431 38 A N 1.986 124.867 122.820 0.102 0.000 2.393 38 A HA 0.874 5.193 4.320 -0.001 0.000 0.306 38 A C -0.796 176.880 177.584 0.153 0.000 1.050 38 A CA -0.540 51.525 52.037 0.047 0.000 0.724 38 A CB 1.768 20.769 19.000 0.001 0.000 1.248 38 A HN 0.748 nan 8.150 nan 0.000 0.424 39 A N 1.810 124.580 122.820 -0.083 0.000 2.273 39 A HA 0.752 5.072 4.320 -0.001 0.000 0.315 39 A C -1.066 176.212 177.584 -0.510 0.000 1.256 39 A CA -0.274 51.477 52.037 -0.476 0.000 0.851 39 A CB -0.080 18.357 19.000 -0.940 0.000 1.172 39 A HN 0.632 nan 8.150 nan 0.000 0.508 40 F N 1.335 121.156 119.950 -0.216 0.000 2.450 40 F HA 0.579 5.105 4.527 -0.001 0.000 0.332 40 F C 0.834 176.696 175.800 0.104 0.000 1.093 40 F CA -0.452 57.512 58.000 -0.060 0.000 1.003 40 F CB 1.720 40.685 39.000 -0.060 0.000 1.151 40 F HN 0.535 nan 8.300 nan 0.000 0.474 41 R N 4.083 124.769 120.500 0.309 0.000 2.295 41 R HA 0.517 4.856 4.340 -0.001 0.000 0.324 41 R C -1.758 174.644 176.300 0.170 0.000 0.968 41 R CA -0.401 55.794 56.100 0.158 0.000 0.837 41 R CB 0.841 31.211 30.300 0.115 0.000 1.133 41 R HN 0.681 nan 8.270 nan 0.000 0.450 42 F N -0.113 119.815 119.950 -0.036 0.000 2.613 42 F HA 0.601 5.127 4.527 -0.002 0.000 0.314 42 F C -1.321 174.496 175.800 0.029 0.000 1.075 42 F CA -0.955 57.027 58.000 -0.030 0.000 0.945 42 F CB 1.924 40.867 39.000 -0.094 0.000 1.310 42 F HN 0.138 nan 8.300 nan 0.000 0.467 43 S N 3.387 119.185 115.700 0.162 0.000 2.596 43 S HA 0.534 5.003 4.470 -0.001 0.000 0.318 43 S C -2.851 171.889 174.600 0.234 0.000 1.097 43 S CA -1.240 57.030 58.200 0.118 0.000 1.080 43 S CB 1.596 64.828 63.200 0.052 0.000 0.991 43 S HN 0.506 nan 8.310 nan 0.000 0.471 44 P HA 0.133 nan 4.420 nan 0.000 0.274 44 P C -0.641 176.727 177.300 0.115 0.000 1.231 44 P CA -0.579 62.638 63.100 0.195 0.000 0.790 44 P CB 0.523 32.326 31.700 0.172 0.000 0.951 45 Q N 1.944 121.795 119.800 0.084 0.000 2.395 45 Q HA 0.121 4.460 4.340 -0.001 0.000 0.271 45 Q C -1.794 174.237 176.000 0.051 0.000 1.026 45 Q CA -1.198 54.639 55.803 0.058 0.000 0.900 45 Q CB -0.660 28.106 28.738 0.046 0.000 1.266 45 Q HN 0.381 nan 8.270 nan 0.000 0.430 46 P HA -0.101 nan 4.420 nan 0.000 0.260 46 P C 0.578 177.895 177.300 0.028 0.000 1.172 46 P CA 1.182 64.302 63.100 0.032 0.000 0.760 46 P CB 0.184 31.898 31.700 0.024 0.000 0.773 47 G N 1.769 110.585 108.800 0.027 0.000 2.213 47 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.236 47 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.236 47 G C -0.121 174.791 174.900 0.020 0.000 0.991 47 G CA -0.153 44.960 45.100 0.021 0.000 0.629 47 G HN 0.536 nan 8.290 nan 0.000 0.517 48 V N 3.956 123.885 119.914 0.025 0.000 2.348 48 V HA 0.471 4.590 4.120 -0.001 0.000 0.270 48 V C -1.273 174.819 176.094 -0.005 0.000 1.037 48 V CA -1.440 60.871 62.300 0.019 0.000 0.872 48 V CB 1.329 33.173 31.823 0.035 0.000 1.002 48 V HN 0.268 nan 8.190 nan 0.000 0.464 49 P HA 0.140 nan 4.420 nan 0.000 0.269 49 P C 0.680 177.896 177.300 -0.141 0.000 1.209 49 P CA -0.110 62.942 63.100 -0.080 0.000 0.776 49 P CB 1.259 32.914 31.700 -0.075 0.000 0.876 50 A N 3.285 125.950 122.820 -0.257 0.000 1.940 50 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 50 A C 1.681 179.110 177.584 -0.258 0.000 1.176 50 A CA 2.094 53.919 52.037 -0.353 0.000 0.631 50 A CB -1.171 17.245 19.000 -0.973 0.000 0.814 50 A HN 0.650 nan 8.150 nan 0.000 0.446 51 D N -0.296 119.889 120.400 -0.358 0.000 2.224 51 D HA -0.144 4.495 4.640 -0.001 0.000 0.205 51 D C 1.611 177.660 176.300 -0.418 0.000 0.965 51 D CA 1.425 55.072 54.000 -0.589 0.000 0.852 51 D CB -0.530 39.708 40.800 -0.937 0.000 0.947 51 D HN 0.494 nan 8.370 nan 0.000 0.494 52 E N 1.111 121.166 120.200 -0.242 0.000 2.072 52 E HA 0.029 4.379 4.350 -0.001 0.000 0.190 52 E C 2.045 178.541 176.600 -0.173 0.000 0.982 52 E CA 1.495 57.825 56.400 -0.118 0.000 0.803 52 E CB -0.488 29.193 29.700 -0.032 0.000 0.755 52 E HN 0.231 nan 8.360 nan 0.000 0.453 53 A N 0.319 122.996 122.820 -0.238 0.000 1.902 53 A HA -0.023 4.296 4.320 -0.001 0.000 0.217 53 A C 2.466 179.633 177.584 -0.695 0.000 1.181 53 A CA 1.736 53.536 52.037 -0.396 0.000 0.623 53 A CB -1.359 17.460 19.000 -0.302 0.000 0.818 53 A HN 0.412 nan 8.150 nan 0.000 0.443 54 G N -0.599 107.798 108.800 -0.672 0.000 2.422 54 G HA2 0.026 3.985 3.960 -0.001 0.000 0.218 54 G HA3 0.026 3.985 3.960 -0.001 0.000 0.218 54 G C 1.706 176.360 174.900 -0.409 0.000 1.146 54 G CA 1.370 46.100 45.100 -0.616 0.000 0.769 54 G HN 0.789 nan 8.290 nan 0.000 0.547 55 A N 1.075 123.730 122.820 -0.275 0.000 1.930 55 A HA 0.340 4.659 4.320 -0.001 0.000 0.217 55 A C 2.781 180.117 177.584 -0.414 0.000 1.175 55 A CA 2.033 53.987 52.037 -0.138 0.000 0.627 55 A CB -0.651 18.390 19.000 0.068 0.000 0.815 55 A HN 0.714 nan 8.150 nan 0.000 0.443 56 A N 0.032 122.471 122.820 -0.635 0.000 1.933 56 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 56 A C 2.090 178.994 177.584 -1.133 0.000 1.175 56 A CA 1.463 52.755 52.037 -1.243 0.000 0.628 56 A CB -0.574 17.826 19.000 -1.001 0.000 0.814 56 A HN 0.496 nan 8.150 nan 0.000 0.444 57 I N -0.244 119.791 120.570 -0.892 0.000 2.179 57 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 57 I C 2.979 178.731 176.117 -0.608 0.000 1.088 57 I CA 1.093 61.893 61.300 -0.834 0.000 1.357 57 I CB -0.363 37.069 38.000 -0.948 0.000 1.051 57 I HN 0.346 nan 8.210 nan 0.000 0.409 58 A N 0.725 123.248 122.820 -0.495 0.000 1.902 58 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 58 A C 2.527 179.833 177.584 -0.463 0.000 1.181 58 A CA 1.936 53.766 52.037 -0.345 0.000 0.623 58 A CB -0.834 18.043 19.000 -0.204 0.000 0.818 58 A HN 0.440 nan 8.150 nan 0.000 0.443 59 A N -0.429 121.895 122.820 -0.828 0.000 1.855 59 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 59 A C 1.816 179.033 177.584 -0.611 0.000 1.191 59 A CA 1.487 52.778 52.037 -1.244 0.000 0.613 59 A CB -0.391 17.833 19.000 -1.295 0.000 0.829 59 A HN 0.455 nan 8.150 nan 0.000 0.442 60 E N 0.401 120.264 120.200 -0.561 0.000 2.502 60 E HA -0.013 4.336 4.350 -0.001 0.000 0.194 60 E C 1.208 177.706 176.600 -0.169 0.000 1.062 60 E CA 0.810 57.022 56.400 -0.314 0.000 0.867 60 E CB -0.034 29.416 29.700 -0.416 0.000 0.888 60 E HN 0.706 nan 8.360 nan 0.000 0.510 61 S N -1.103 114.515 115.700 -0.136 0.000 2.578 61 S HA 0.131 4.601 4.470 -0.001 0.000 0.231 61 S C 1.409 176.102 174.600 0.155 0.000 0.994 61 S CA 0.195 58.423 58.200 0.046 0.000 0.956 61 S CB 0.357 63.643 63.200 0.142 0.000 0.870 61 S HN 0.138 nan 8.310 nan 0.000 0.494 62 S N 1.583 117.326 115.700 0.071 0.000 3.889 62 S HA 0.176 4.645 4.470 -0.001 0.000 0.185 62 S C 1.376 176.000 174.600 0.042 0.000 0.937 62 S CA 0.608 58.873 58.200 0.109 0.000 0.985 62 S CB -0.245 63.057 63.200 0.170 0.000 1.299 62 S HN 0.518 nan 8.310 nan 0.000 0.673 63 T N -1.086 113.497 114.554 0.049 0.000 2.986 63 T HA 0.480 4.830 4.350 -0.001 0.000 0.264 63 T C 0.778 175.526 174.700 0.079 0.000 0.964 63 T CA 0.355 62.502 62.100 0.078 0.000 0.895 63 T CB 0.182 69.149 68.868 0.166 0.000 1.163 63 T HN 0.700 nan 8.240 nan 0.000 0.517 64 G N 0.252 109.062 108.800 0.017 0.000 2.434 64 G HA2 0.580 4.539 3.960 -0.001 0.000 0.330 64 G HA3 0.580 4.539 3.960 -0.001 0.000 0.330 64 G C -0.902 174.057 174.900 0.099 0.000 1.155 64 G CA -0.285 44.856 45.100 0.070 0.000 0.917 64 G HN 0.276 nan 8.290 nan 0.000 0.493 65 T N -1.081 113.568 114.554 0.160 0.000 2.626 65 T HA 0.421 4.770 4.350 -0.001 0.000 0.279 65 T C 0.543 175.382 174.700 0.231 0.000 0.983 65 T CA -0.424 61.816 62.100 0.232 0.000 1.059 65 T CB 0.785 69.741 68.868 0.147 0.000 1.396 65 T HN 0.684 nan 8.240 nan 0.000 0.519 66 W N 0.683 122.070 121.300 0.145 0.000 2.678 66 W HA 0.305 4.964 4.660 -0.001 0.000 0.256 66 W C 0.307 176.791 176.519 -0.058 0.000 1.280 66 W CA 0.433 57.811 57.345 0.055 0.000 1.345 66 W CB -1.047 28.464 29.460 0.085 0.000 1.118 66 W HN 0.528 nan 8.180 nan 0.000 0.629 67 T N 0.894 114.977 114.554 -0.784 0.000 2.883 67 T HA 0.339 4.688 4.350 -0.001 0.000 0.296 67 T C -0.508 173.958 174.700 -0.390 0.000 1.117 67 T CA -0.324 61.340 62.100 -0.725 0.000 1.006 67 T CB 1.884 69.957 68.868 -1.325 0.000 1.191 67 T HN -0.231 nan 8.240 nan 0.000 0.508 68 T N 2.577 117.001 114.554 -0.216 0.000 2.834 68 T HA 0.472 4.821 4.350 -0.001 0.000 0.298 68 T C 0.136 174.879 174.700 0.072 0.000 0.966 68 T CA -0.371 61.704 62.100 -0.040 0.000 1.141 68 T CB 0.121 68.999 68.868 0.018 0.000 0.905 68 T HN 0.641 nan 8.240 nan 0.000 0.535 69 V N 2.761 122.697 119.914 0.037 0.000 2.715 69 V HA 0.524 4.643 4.120 -0.001 0.000 0.310 69 V C 1.044 177.028 176.094 -0.184 0.000 1.054 69 V CA -1.173 61.096 62.300 -0.052 0.000 0.928 69 V CB 1.507 33.211 31.823 -0.198 0.000 1.007 69 V HN 1.030 nan 8.190 nan 0.000 0.437 70 W N 2.138 123.097 121.300 -0.569 0.000 2.519 70 W HA -0.053 4.606 4.660 -0.001 0.000 0.266 70 W C 1.374 177.692 176.519 -0.335 0.000 1.253 70 W CA 1.271 58.134 57.345 -0.804 0.000 1.274 70 W CB -1.696 27.005 29.460 -1.265 0.000 1.114 70 W HN 0.755 nan 8.180 nan 0.000 0.596 71 T N -0.766 113.101 114.554 -1.144 0.000 2.962 71 T HA -0.210 4.139 4.350 -0.001 0.000 0.270 71 T C 1.080 175.515 174.700 -0.441 0.000 1.088 71 T CA 1.595 63.066 62.100 -1.049 0.000 1.127 71 T CB -0.618 67.641 68.868 -1.016 0.000 0.883 71 T HN -0.110 nan 8.240 nan 0.000 0.493 72 D N 1.822 122.052 120.400 -0.285 0.000 2.172 72 D HA -0.058 4.581 4.640 -0.001 0.000 0.196 72 D C 1.724 177.981 176.300 -0.073 0.000 0.999 72 D CA 0.874 54.797 54.000 -0.128 0.000 0.856 72 D CB -0.377 40.387 40.800 -0.061 0.000 0.934 72 D HN 0.417 nan 8.370 nan 0.000 0.453 73 L N -0.081 121.111 121.223 -0.052 0.000 2.554 73 L HA 0.060 4.399 4.340 -0.001 0.000 0.226 73 L C 1.919 178.802 176.870 0.021 0.000 1.137 73 L CA 0.026 54.876 54.840 0.016 0.000 0.863 73 L CB -0.040 42.063 42.059 0.073 0.000 0.985 73 L HN 0.044 nan 8.230 nan 0.000 0.451 74 L N -1.219 119.989 121.223 -0.025 0.000 2.395 74 L HA 0.021 4.361 4.340 -0.001 0.000 0.218 74 L C 1.255 178.121 176.870 -0.007 0.000 1.130 74 L CA 0.565 55.398 54.840 -0.011 0.000 0.826 74 L CB -0.075 41.946 42.059 -0.064 0.000 0.941 74 L HN 0.217 nan 8.230 nan 0.000 0.451 75 T N -2.176 112.374 114.554 -0.007 0.000 2.693 75 T HA 0.194 4.543 4.350 -0.001 0.000 0.278 75 T C -1.431 173.314 174.700 0.075 0.000 0.994 75 T CA -0.589 61.537 62.100 0.043 0.000 1.033 75 T CB 1.881 70.762 68.868 0.022 0.000 1.342 75 T HN -0.146 nan 8.240 nan 0.000 0.538 76 D N 2.195 122.685 120.400 0.150 0.000 2.493 76 D HA 0.259 4.898 4.640 -0.001 0.000 0.235 76 D C 1.273 177.632 176.300 0.099 0.000 1.117 76 D CA -0.421 53.626 54.000 0.077 0.000 0.930 76 D CB 0.280 41.088 40.800 0.012 0.000 1.010 76 D HN 0.306 nan 8.370 nan 0.000 0.514 77 M N 1.510 121.149 119.600 0.064 0.000 2.213 77 M HA -0.114 4.365 4.480 -0.001 0.000 0.263 77 M C 1.063 177.353 176.300 -0.018 0.000 1.062 77 M CA 1.194 56.527 55.300 0.055 0.000 1.105 77 M CB -0.532 32.063 32.600 -0.008 0.000 1.385 77 M HN 0.347 nan 8.290 nan 0.000 0.417 78 D N -0.265 120.095 120.400 -0.066 0.000 2.178 78 D HA -0.176 4.463 4.640 -0.001 0.000 0.201 78 D C 2.100 178.313 176.300 -0.145 0.000 0.980 78 D CA 1.089 55.024 54.000 -0.108 0.000 0.842 78 D CB 0.003 40.749 40.800 -0.089 0.000 0.948 78 D HN 0.287 nan 8.370 nan 0.000 0.472 79 R N -1.048 119.325 120.500 -0.212 0.000 2.148 79 R HA -0.101 4.238 4.340 -0.001 0.000 0.223 79 R C 1.027 177.052 176.300 -0.458 0.000 1.088 79 R CA 1.199 57.060 56.100 -0.398 0.000 0.985 79 R CB -0.023 29.899 30.300 -0.631 0.000 0.880 79 R HN 0.261 nan 8.270 nan 0.000 0.451 80 Y N 0.524 120.798 120.300 -0.043 0.000 2.498 80 Y HA 0.185 4.735 4.550 -0.001 0.000 0.259 80 Y C 0.099 175.987 175.900 -0.019 0.000 1.086 80 Y CA -0.254 57.825 58.100 -0.035 0.000 1.287 80 Y CB 0.226 38.665 38.460 -0.035 0.000 1.146 80 Y HN -0.032 nan 8.280 nan 0.000 0.523 81 K N 1.068 121.526 120.400 0.097 0.000 2.326 81 K HA 0.384 4.703 4.320 -0.001 0.000 0.275 81 K C 0.602 177.232 176.600 0.050 0.000 1.018 81 K CA -0.091 56.274 56.287 0.130 0.000 0.962 81 K CB 0.741 33.255 32.500 0.023 0.000 0.953 81 K HN 0.118 nan 8.250 nan 0.000 0.475 82 G N 2.237 111.090 108.800 0.088 0.000 2.491 82 G HA2 0.144 4.103 3.960 -0.001 0.000 0.242 82 G HA3 0.144 4.103 3.960 -0.001 0.000 0.242 82 G C -0.944 173.904 174.900 -0.085 0.000 1.266 82 G CA -0.725 44.273 45.100 -0.170 0.000 0.844 82 G HN 0.609 nan 8.290 nan 0.000 0.571 83 K N 1.227 121.502 120.400 -0.208 0.000 2.604 83 K HA 0.250 4.570 4.320 -0.001 0.000 0.247 83 K C -0.860 175.774 176.600 0.057 0.000 0.956 83 K CA -0.595 55.622 56.287 -0.116 0.000 0.896 83 K CB 1.787 34.041 32.500 -0.409 0.000 1.131 83 K HN 0.443 nan 8.250 nan 0.000 0.440 84 C N 5.027 124.384 119.300 0.095 0.000 2.595 84 C HA 0.158 4.617 4.460 -0.001 0.000 0.374 84 C C 1.074 176.200 174.990 0.228 0.000 1.250 84 C CA -0.343 58.766 59.018 0.152 0.000 1.595 84 C CB -1.504 26.332 27.740 0.161 0.000 2.257 84 C HN 0.959 nan 8.230 nan 0.000 0.568 85 Y N 2.667 123.111 120.300 0.239 0.000 2.444 85 Y HA 0.459 5.008 4.550 -0.001 0.000 0.249 85 Y C 0.757 176.850 175.900 0.322 0.000 1.134 85 Y CA -0.194 58.040 58.100 0.222 0.000 1.261 85 Y CB -0.415 38.230 38.460 0.309 0.000 1.143 85 Y HN 0.768 nan 8.280 nan 0.000 0.523 86 H N 0.332 119.360 119.070 -0.069 0.000 3.086 86 H HA 0.538 5.093 4.556 -0.001 0.000 0.353 86 H C -1.972 173.543 175.328 0.311 0.000 1.134 86 H CA -0.844 55.270 56.048 0.110 0.000 1.248 86 H CB 1.943 31.677 29.762 -0.047 0.000 1.878 86 H HN 0.137 nan 8.280 nan 0.000 0.527 87 I N 4.112 124.537 120.570 -0.242 0.000 2.582 87 I HA 0.230 4.399 4.170 -0.001 0.000 0.292 87 I C -0.878 175.104 176.117 -0.226 0.000 1.066 87 I CA -0.589 60.681 61.300 -0.050 0.000 1.053 87 I CB 2.358 40.403 38.000 0.076 0.000 1.241 87 I HN 0.579 nan 8.210 nan 0.000 0.421 88 E N 6.941 127.195 120.200 0.091 0.000 2.308 88 E HA 0.520 4.869 4.350 -0.001 0.000 0.275 88 E C -2.963 173.756 176.600 0.199 0.000 0.890 88 E CA -2.151 54.354 56.400 0.175 0.000 0.754 88 E CB 2.451 32.350 29.700 0.333 0.000 1.207 88 E HN 0.117 nan 8.360 nan 0.000 0.426 89 P HA -0.015 nan 4.420 nan 0.000 0.268 89 P C 0.036 177.231 177.300 -0.176 0.000 1.205 89 P CA -0.363 62.621 63.100 -0.193 0.000 0.771 89 P CB 0.855 32.449 31.700 -0.178 0.000 0.858 90 V N 3.180 122.856 119.914 -0.396 0.000 2.446 90 V HA 0.142 4.261 4.120 -0.001 0.000 0.276 90 V C 1.189 177.186 176.094 -0.162 0.000 1.030 90 V CA -0.275 61.844 62.300 -0.301 0.000 1.033 90 V CB -0.135 31.392 31.823 -0.493 0.000 0.993 90 V HN 0.695 nan 8.190 nan 0.000 0.477 91 A N 4.755 127.555 122.820 -0.034 0.000 2.545 91 A HA 0.477 4.797 4.320 -0.001 0.000 0.253 91 A C 1.545 179.105 177.584 -0.041 0.000 1.074 91 A CA 0.641 52.664 52.037 -0.024 0.000 0.760 91 A CB -0.566 18.448 19.000 0.022 0.000 1.005 91 A HN 2.113 nan 8.150 nan 0.000 0.506 92 G N 1.896 110.663 108.800 -0.056 0.000 2.176 92 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.253 92 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.253 92 G C -0.153 174.706 174.900 -0.069 0.000 0.979 92 G CA 0.447 45.518 45.100 -0.048 0.000 0.641 92 G HN 0.880 nan 8.290 nan 0.000 0.530 93 E N 0.779 120.911 120.200 -0.114 0.000 2.224 93 E HA 0.409 4.758 4.350 -0.001 0.000 0.265 93 E C -0.087 176.402 176.600 -0.186 0.000 0.878 93 E CA -0.733 55.587 56.400 -0.134 0.000 0.759 93 E CB 1.295 30.904 29.700 -0.150 0.000 1.164 93 E HN 0.628 nan 8.360 nan 0.000 0.414 94 E N 2.491 122.606 120.200 -0.141 0.000 2.344 94 E HA 0.078 4.427 4.350 -0.001 0.000 0.270 94 E C -0.022 176.468 176.600 -0.184 0.000 1.021 94 E CA -0.547 55.767 56.400 -0.143 0.000 0.887 94 E CB 0.390 30.042 29.700 -0.079 0.000 0.997 94 E HN 0.494 nan 8.360 nan 0.000 0.429 95 N N 1.165 119.726 118.700 -0.230 0.000 2.740 95 N HA -0.214 4.525 4.740 -0.001 0.000 0.248 95 N C -1.831 173.504 175.510 -0.291 0.000 1.062 95 N CA 1.185 54.132 53.050 -0.172 0.000 0.704 95 N CB -1.013 37.460 38.487 -0.022 0.000 0.968 95 N HN 0.481 nan 8.380 nan 0.000 0.547 96 S N 0.188 115.502 115.700 -0.644 0.000 2.557 96 S HA 0.746 5.215 4.470 -0.001 0.000 0.291 96 S C -1.499 172.486 174.600 -1.024 0.000 1.116 96 S CA -0.500 57.330 58.200 -0.617 0.000 0.992 96 S CB 0.585 63.532 63.200 -0.421 0.000 1.028 96 S HN 0.262 nan 8.310 nan 0.000 0.484 97 Y N 1.954 121.770 120.300 -0.806 0.000 2.581 97 Y HA 0.631 5.180 4.550 -0.001 0.000 0.345 97 Y C -0.824 174.630 175.900 -0.744 0.000 1.036 97 Y CA -1.128 56.497 58.100 -0.792 0.000 1.042 97 Y CB 0.955 38.855 38.460 -0.934 0.000 1.289 97 Y HN 0.525 nan 8.280 nan 0.000 0.471 98 F N 1.397 121.355 119.950 0.014 0.000 2.415 98 F HA 0.704 5.230 4.527 -0.001 0.000 0.348 98 F C 0.240 176.127 175.800 0.145 0.000 1.119 98 F CA -1.088 56.934 58.000 0.037 0.000 1.069 98 F CB 1.193 40.243 39.000 0.084 0.000 1.124 98 F HN 0.503 nan 8.300 nan 0.000 0.472 99 A N 4.321 127.357 122.820 0.360 0.000 2.304 99 A HA 0.772 5.091 4.320 -0.001 0.000 0.323 99 A C -1.398 176.186 177.584 0.000 0.000 1.195 99 A CA -0.428 51.776 52.037 0.278 0.000 0.826 99 A CB 0.198 19.340 19.000 0.237 0.000 1.184 99 A HN 0.528 nan 8.150 nan 0.000 0.496 100 F N 2.075 122.078 119.950 0.089 0.000 2.427 100 F HA 0.602 5.128 4.527 -0.001 0.000 0.346 100 F C 0.100 175.763 175.800 -0.227 0.000 1.120 100 F CA -0.420 57.562 58.000 -0.031 0.000 1.033 100 F CB 1.546 40.419 39.000 -0.211 0.000 1.126 100 F HN 0.323 nan 8.300 nan 0.000 0.462 101 I N 2.896 123.624 120.570 0.263 0.000 2.498 101 I HA 0.628 4.797 4.170 -0.001 0.000 0.290 101 I C -0.527 175.786 176.117 0.327 0.000 1.032 101 I CA -0.998 60.436 61.300 0.223 0.000 1.073 101 I CB 1.965 40.025 38.000 0.100 0.000 1.251 101 I HN 0.651 nan 8.210 nan 0.000 0.426 102 A N 6.061 129.046 122.820 0.276 0.000 2.292 102 A HA 0.760 5.079 4.320 -0.001 0.000 0.319 102 A C -1.515 175.997 177.584 -0.119 0.000 1.206 102 A CA -0.230 51.912 52.037 0.175 0.000 0.835 102 A CB 0.384 19.521 19.000 0.228 0.000 1.164 102 A HN 0.584 nan 8.150 nan 0.000 0.505 103 Y N 2.253 122.660 120.300 0.178 0.000 2.341 103 Y HA 0.441 4.990 4.550 -0.001 0.000 0.338 103 Y C -2.313 173.716 175.900 0.215 0.000 0.965 103 Y CA -2.495 55.730 58.100 0.208 0.000 1.108 103 Y CB 1.627 40.327 38.460 0.400 0.000 1.180 103 Y HN 0.493 nan 8.280 nan 0.000 0.458 104 P HA -0.053 nan 4.420 nan 0.000 0.267 104 P C 0.783 178.237 177.300 0.257 0.000 1.200 104 P CA -0.144 63.061 63.100 0.175 0.000 0.772 104 P CB 0.896 32.634 31.700 0.064 0.000 0.855 105 L N 2.830 124.193 121.223 0.233 0.000 2.129 105 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 105 L C 1.295 178.302 176.870 0.230 0.000 1.087 105 L CA 2.068 57.078 54.840 0.284 0.000 0.757 105 L CB -1.039 41.122 42.059 0.170 0.000 0.896 105 L HN 0.265 nan 8.230 nan 0.000 0.434 106 D N -0.769 119.707 120.400 0.127 0.000 2.310 106 D HA -0.111 4.528 4.640 -0.001 0.000 0.212 106 D C 2.141 178.444 176.300 0.004 0.000 0.965 106 D CA 0.876 54.941 54.000 0.108 0.000 0.879 106 D CB -0.058 40.858 40.800 0.193 0.000 0.921 106 D HN 0.399 nan 8.370 nan 0.000 0.510 107 L N -0.687 120.409 121.223 -0.211 0.000 2.478 107 L HA 0.025 4.364 4.340 -0.001 0.000 0.223 107 L C 0.044 176.500 176.870 -0.689 0.000 1.140 107 L CA 0.374 54.892 54.840 -0.536 0.000 0.842 107 L CB -0.132 41.431 42.059 -0.828 0.000 0.953 107 L HN -0.113 nan 8.230 nan 0.000 0.452 108 F N -0.412 119.574 119.950 0.060 0.000 2.495 108 F HA 0.325 4.851 4.527 -0.002 0.000 0.327 108 F C 0.592 176.404 175.800 0.020 0.000 1.103 108 F CA -1.371 56.653 58.000 0.040 0.000 0.949 108 F CB 1.057 40.093 39.000 0.061 0.000 1.142 108 F HN -0.187 nan 8.300 nan 0.000 0.457 109 E N 1.865 122.163 120.200 0.163 0.000 2.344 109 E HA 0.114 4.463 4.350 -0.001 0.000 0.270 109 E C -0.734 175.880 176.600 0.022 0.000 1.021 109 E CA -0.491 55.948 56.400 0.066 0.000 0.887 109 E CB 0.563 30.282 29.700 0.032 0.000 0.997 109 E HN 0.525 nan 8.360 nan 0.000 0.429 110 E N 2.421 122.598 120.200 -0.039 0.000 2.465 110 E HA 0.162 4.511 4.350 -0.001 0.000 0.260 110 E C 0.828 177.211 176.600 -0.361 0.000 0.980 110 E CA 1.297 57.602 56.400 -0.159 0.000 0.927 110 E CB 0.569 30.202 29.700 -0.112 0.000 0.934 110 E HN 0.801 nan 8.360 nan 0.000 0.459 111 G N 2.540 110.817 108.800 -0.872 0.000 2.153 111 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.252 111 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.252 111 G C 0.263 174.744 174.900 -0.698 0.000 0.994 111 G CA 0.417 44.755 45.100 -1.270 0.000 0.698 111 G HN 0.518 nan 8.290 nan 0.000 0.521 112 S N -0.599 114.901 115.700 -0.333 0.000 2.667 112 S HA 0.531 5.001 4.470 -0.001 0.000 0.304 112 S C 1.413 176.138 174.600 0.207 0.000 1.135 112 S CA 0.081 58.301 58.200 0.032 0.000 1.125 112 S CB 1.332 64.544 63.200 0.020 0.000 0.996 112 S HN 0.541 nan 8.310 nan 0.000 0.474 113 V N 4.708 124.759 119.914 0.230 0.000 2.427 113 V HA -0.111 4.008 4.120 -0.001 0.000 0.248 113 V C 2.521 178.532 176.094 -0.138 0.000 1.051 113 V CA 2.341 64.602 62.300 -0.066 0.000 1.048 113 V CB -0.932 30.614 31.823 -0.462 0.000 0.666 113 V HN 0.831 nan 8.190 nan 0.000 0.456 114 T N 0.161 114.695 114.554 -0.034 0.000 2.665 114 T HA -0.260 4.089 4.350 -0.001 0.000 0.268 114 T C 1.915 176.643 174.700 0.046 0.000 1.035 114 T CA 1.990 64.109 62.100 0.032 0.000 1.151 114 T CB -0.472 68.453 68.868 0.094 0.000 0.862 114 T HN 0.571 nan 8.240 nan 0.000 0.438 115 N N 0.717 119.461 118.700 0.073 0.000 2.142 115 N HA -0.056 4.683 4.740 -0.001 0.000 0.186 115 N C 2.003 177.605 175.510 0.153 0.000 1.023 115 N CA 1.028 54.141 53.050 0.104 0.000 0.852 115 N CB -0.163 38.395 38.487 0.117 0.000 0.998 115 N HN 0.373 nan 8.380 nan 0.000 0.424 116 I N 1.356 122.022 120.570 0.159 0.000 2.163 116 I HA -0.292 3.877 4.170 -0.001 0.000 0.243 116 I C 2.321 178.467 176.117 0.049 0.000 1.085 116 I CA 0.985 62.361 61.300 0.128 0.000 1.347 116 I CB -0.253 37.747 38.000 0.000 0.000 1.044 116 I HN 0.170 nan 8.210 nan 0.000 0.408 117 L N -0.115 121.108 121.223 0.000 0.000 2.093 117 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 117 L C 2.620 179.511 176.870 0.035 0.000 1.085 117 L CA 1.430 56.266 54.840 -0.007 0.000 0.755 117 L CB -0.902 41.135 42.059 -0.036 0.000 0.904 117 L HN 0.278 nan 8.230 nan 0.000 0.435 118 T N -1.012 113.573 114.554 0.052 0.000 2.759 118 T HA -0.169 4.180 4.350 -0.001 0.000 0.269 118 T C 2.156 176.897 174.700 0.068 0.000 1.042 118 T CA 1.667 63.803 62.100 0.059 0.000 1.140 118 T CB -0.048 68.854 68.868 0.057 0.000 0.864 118 T HN 0.264 nan 8.240 nan 0.000 0.455 119 S N 0.812 116.560 115.700 0.080 0.000 2.335 119 S HA 0.033 4.503 4.470 -0.001 0.000 0.217 119 S C 2.061 176.705 174.600 0.073 0.000 1.032 119 S CA 0.628 58.870 58.200 0.070 0.000 0.985 119 S CB -0.223 63.026 63.200 0.081 0.000 0.896 119 S HN 0.302 nan 8.310 nan 0.000 0.445 120 I N 1.684 122.281 120.570 0.046 0.000 2.315 120 I HA -0.037 4.132 4.170 -0.001 0.000 0.248 120 I C 1.890 178.187 176.117 0.301 0.000 1.117 120 I CA 1.268 62.624 61.300 0.094 0.000 1.404 120 I CB -1.262 36.710 38.000 -0.047 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.763 117.282 119.914 0.217 0.000 3.159 121 V HA 0.544 4.663 4.120 -0.001 0.000 0.333 121 V C 1.682 177.869 176.094 0.156 0.000 1.424 121 V CA 0.346 62.811 62.300 0.275 0.000 1.125 121 V CB -0.317 31.511 31.823 0.009 0.000 1.075 121 V HN 0.186 nan 8.190 nan 0.000 0.482 122 G N 1.768 110.651 108.800 0.139 0.000 2.434 122 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.214 122 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.214 122 G C 1.177 176.155 174.900 0.130 0.000 1.202 122 G CA 1.355 46.516 45.100 0.101 0.000 0.788 122 G HN 0.547 nan 8.290 nan 0.000 0.539 123 N N -0.612 118.182 118.700 0.157 0.000 2.297 123 N HA 0.014 4.754 4.740 -0.001 0.000 0.208 123 N C 2.176 177.828 175.510 0.236 0.000 1.176 123 N CA 0.827 53.985 53.050 0.179 0.000 0.882 123 N CB 0.565 39.149 38.487 0.161 0.000 1.134 123 N HN 0.277 nan 8.380 nan 0.000 0.489 124 V N -1.474 118.541 119.914 0.169 0.000 2.809 124 V HA 0.037 4.156 4.120 -0.001 0.000 0.256 124 V C 1.616 177.730 176.094 0.033 0.000 1.080 124 V CA 1.099 63.386 62.300 -0.022 0.000 1.102 124 V CB -1.106 30.521 31.823 -0.326 0.000 0.705 124 V HN -0.090 nan 8.190 nan 0.000 0.475 125 F N 2.543 122.530 119.950 0.061 0.000 2.502 125 F HA 0.294 4.820 4.527 -0.001 0.000 0.298 125 F C 2.298 178.220 175.800 0.202 0.000 1.111 125 F CA 1.186 59.256 58.000 0.117 0.000 1.445 125 F CB -0.539 38.520 39.000 0.098 0.000 1.081 125 F HN 0.344 nan 8.300 nan 0.000 0.558 126 G N -1.834 107.161 108.800 0.326 0.000 3.159 126 G HA2 0.015 3.974 3.960 -0.001 0.000 0.232 126 G HA3 0.015 3.974 3.960 -0.001 0.000 0.232 126 G C 0.077 175.071 174.900 0.156 0.000 1.116 126 G CA -0.221 45.010 45.100 0.218 0.000 0.767 126 G HN 0.030 nan 8.290 nan 0.000 0.547 127 F N 1.791 121.747 119.950 0.011 0.000 2.602 127 F HA 0.179 4.705 4.527 -0.001 0.000 0.385 127 F C 1.794 177.583 175.800 -0.019 0.000 1.063 127 F CA 0.125 58.108 58.000 -0.029 0.000 1.233 127 F CB 0.976 39.919 39.000 -0.095 0.000 1.067 127 F HN -0.035 nan 8.300 nan 0.000 0.564 128 K N 3.165 123.473 120.400 -0.154 0.000 2.113 128 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 128 K C 1.932 178.541 176.600 0.015 0.000 1.047 128 K CA 1.465 57.708 56.287 -0.074 0.000 0.928 128 K CB -0.165 32.252 32.500 -0.139 0.000 0.716 128 K HN 0.719 nan 8.250 nan 0.000 0.446 129 A N 0.709 123.576 122.820 0.077 0.000 2.209 129 A HA -0.000 4.319 4.320 -0.001 0.000 0.212 129 A C 0.625 178.268 177.584 0.098 0.000 1.158 129 A CA 0.596 52.697 52.037 0.107 0.000 0.742 129 A CB -0.009 19.095 19.000 0.174 0.000 0.790 129 A HN 0.057 nan 8.150 nan 0.000 0.472 130 I N -0.555 120.080 120.570 0.109 0.000 2.433 130 I HA 0.316 4.485 4.170 -0.001 0.000 0.292 130 I C 0.928 177.104 176.117 0.097 0.000 1.001 130 I CA -0.385 60.967 61.300 0.088 0.000 1.119 130 I CB 1.508 39.525 38.000 0.028 0.000 1.289 130 I HN 0.246 nan 8.210 nan 0.000 0.438 131 R N 2.882 123.445 120.500 0.104 0.000 2.075 131 R HA 0.046 4.385 4.340 -0.001 0.000 0.226 131 R C 0.253 176.624 176.300 0.119 0.000 1.114 131 R CA 0.822 56.974 56.100 0.088 0.000 0.972 131 R CB 0.139 30.483 30.300 0.074 0.000 0.869 131 R HN 0.779 nan 8.270 nan 0.000 0.437 132 S N -0.374 115.429 115.700 0.172 0.000 2.550 132 S HA 0.563 5.032 4.470 -0.001 0.000 0.270 132 S C -1.396 173.340 174.600 0.227 0.000 1.145 132 S CA -1.077 57.308 58.200 0.308 0.000 0.852 132 S CB 2.222 65.567 63.200 0.242 0.000 1.119 132 S HN 0.041 nan 8.310 nan 0.000 0.465 133 L N 1.371 122.700 121.223 0.175 0.000 2.493 133 L HA 0.842 5.182 4.340 -0.001 0.000 0.265 133 L C -1.079 175.701 176.870 -0.151 0.000 0.954 133 L CA -0.373 54.364 54.840 -0.172 0.000 0.844 133 L CB 2.193 43.837 42.059 -0.692 0.000 1.302 133 L HN 1.054 nan 8.230 nan 0.000 0.405 134 R N 4.142 124.682 120.500 0.068 0.000 2.514 134 R HA 0.652 4.992 4.340 -0.001 0.000 0.296 134 R C -1.977 174.451 176.300 0.213 0.000 1.012 134 R CA -0.644 55.586 56.100 0.216 0.000 0.897 134 R CB 1.429 31.839 30.300 0.183 0.000 1.184 134 R HN 0.644 nan 8.270 nan 0.000 0.440 135 L N 4.139 125.514 121.223 0.253 0.000 2.369 135 L HA 0.308 4.647 4.340 -0.001 0.000 0.279 135 L C 0.350 177.162 176.870 -0.096 0.000 1.108 135 L CA 0.654 55.442 54.840 -0.087 0.000 0.852 135 L CB 1.039 43.050 42.059 -0.080 0.000 1.169 135 L HN 0.822 nan 8.230 nan 0.000 0.452 136 E N 2.312 122.346 120.200 -0.277 0.000 2.166 136 E HA 0.122 4.471 4.350 -0.001 0.000 0.192 136 E C -0.271 176.154 176.600 -0.292 0.000 0.967 136 E CA 0.458 56.665 56.400 -0.321 0.000 0.840 136 E CB 0.401 29.620 29.700 -0.802 0.000 0.795 136 E HN 0.686 nan 8.360 nan 0.000 0.470 137 D N -1.001 119.205 120.400 -0.324 0.000 2.663 137 D HA 0.384 5.023 4.640 -0.001 0.000 0.233 137 D C -1.431 174.870 176.300 0.003 0.000 1.240 137 D CA -0.478 53.474 54.000 -0.080 0.000 0.774 137 D CB 1.622 42.415 40.800 -0.012 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.620 122.165 120.570 -0.041 0.000 2.499 138 I HA 0.352 4.521 4.170 -0.001 0.000 0.288 138 I C 0.001 175.859 176.117 -0.432 0.000 1.048 138 I CA -0.834 60.247 61.300 -0.365 0.000 1.062 138 I CB 2.204 39.734 38.000 -0.784 0.000 1.238 138 I HN 0.097 nan 8.210 nan 0.000 0.426 139 R N 6.164 126.269 120.500 -0.658 0.000 2.210 139 R HA 0.364 4.703 4.340 -0.001 0.000 0.338 139 R C -1.420 174.537 176.300 -0.572 0.000 1.062 139 R CA -0.418 55.359 56.100 -0.539 0.000 0.902 139 R CB 0.390 30.319 30.300 -0.617 0.000 1.050 139 R HN 0.339 nan 8.270 nan 0.000 0.461 140 F N 7.093 126.834 119.950 -0.347 0.000 2.444 140 F HA 0.261 4.787 4.527 -0.001 0.000 0.360 140 F C -1.365 174.258 175.800 -0.294 0.000 1.106 140 F CA -2.075 55.718 58.000 -0.345 0.000 1.170 140 F CB 0.787 39.532 39.000 -0.424 0.000 1.113 140 F HN 0.409 nan 8.300 nan 0.000 0.521 141 P HA -0.007 nan 4.420 nan 0.000 0.269 141 P C 0.889 178.179 177.300 -0.018 0.000 1.209 141 P CA -0.022 63.051 63.100 -0.045 0.000 0.776 141 P CB 1.379 33.072 31.700 -0.012 0.000 0.876 142 V N 2.644 122.543 119.914 -0.025 0.000 2.469 142 V HA -0.275 3.844 4.120 -0.001 0.000 0.251 142 V C 2.579 178.694 176.094 0.035 0.000 1.064 142 V CA 2.741 65.038 62.300 -0.005 0.000 1.066 142 V CB -1.554 30.271 31.823 0.004 0.000 0.667 142 V HN 0.689 nan 8.190 nan 0.000 0.461 143 A N -0.703 122.141 122.820 0.040 0.000 2.015 143 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 143 A C 2.097 179.730 177.584 0.081 0.000 1.163 143 A CA 1.749 53.819 52.037 0.055 0.000 0.646 143 A CB -0.354 18.676 19.000 0.050 0.000 0.806 143 A HN 0.455 nan 8.150 nan 0.000 0.448 144 L N -0.651 120.634 121.223 0.103 0.000 2.162 144 L HA 0.040 4.380 4.340 -0.001 0.000 0.205 144 L C 2.309 179.336 176.870 0.262 0.000 1.086 144 L CA 1.309 56.251 54.840 0.170 0.000 0.778 144 L CB -0.324 41.844 42.059 0.183 0.000 0.928 144 L HN 0.117 nan 8.230 nan 0.000 0.446 145 V N -0.000 120.011 119.914 0.162 0.000 2.392 145 V HA -0.287 3.832 4.120 -0.001 0.000 0.249 145 V C 2.442 178.677 176.094 0.236 0.000 1.059 145 V CA 1.605 63.994 62.300 0.148 0.000 1.051 145 V CB -0.769 31.060 31.823 0.009 0.000 0.658 145 V HN 0.410 nan 8.190 nan 0.000 0.455 146 K N 0.337 120.831 120.400 0.157 0.000 2.504 146 K HA -0.064 4.255 4.320 -0.001 0.000 0.195 146 K C 2.017 178.674 176.600 0.095 0.000 1.036 146 K CA 1.451 57.809 56.287 0.119 0.000 0.984 146 K CB -0.291 32.255 32.500 0.076 0.000 0.788 146 K HN 0.736 nan 8.250 nan 0.000 0.488 147 T N -1.884 112.723 114.554 0.088 0.000 3.100 147 T HA 0.087 4.436 4.350 -0.001 0.000 0.253 147 T C 0.509 175.090 174.700 -0.198 0.000 1.118 147 T CA -0.104 61.950 62.100 -0.077 0.000 1.058 147 T CB -0.183 68.579 68.868 -0.177 0.000 0.953 147 T HN -0.162 nan 8.240 nan 0.000 0.515 148 F N 1.274 121.220 119.950 -0.007 0.000 2.432 148 F HA 0.483 5.010 4.527 -0.002 0.000 0.329 148 F C 1.646 177.440 175.800 -0.010 0.000 1.076 148 F CA -1.225 56.766 58.000 -0.016 0.000 1.018 148 F CB 1.796 40.774 39.000 -0.036 0.000 1.201 148 F HN -0.112 nan 8.300 nan 0.000 0.489 149 Q N 2.041 121.944 119.800 0.172 0.000 2.049 149 Q HA 0.207 4.546 4.340 -0.001 0.000 0.198 149 Q C 1.056 177.094 176.000 0.063 0.000 0.971 149 Q CA 1.223 57.074 55.803 0.080 0.000 0.833 149 Q CB -0.107 28.653 28.738 0.037 0.000 0.896 149 Q HN 1.001 nan 8.270 nan 0.000 0.434 150 G N 0.351 109.195 108.800 0.073 0.000 2.632 150 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.224 150 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.224 150 G C -2.509 172.357 174.900 -0.056 0.000 1.341 150 G CA -0.420 44.673 45.100 -0.012 0.000 0.880 150 G HN 0.335 nan 8.290 nan 0.000 0.566 151 P HA 0.182 nan 4.420 nan 0.000 0.262 151 P C -1.682 175.533 177.300 -0.142 0.000 1.182 151 P CA -0.271 62.764 63.100 -0.109 0.000 0.761 151 P CB 0.390 32.026 31.700 -0.106 0.000 0.795 152 P HA -0.191 nan 4.420 nan 0.000 0.216 152 P C 0.763 177.598 177.300 -0.776 0.000 1.150 152 P CA 1.926 64.767 63.100 -0.431 0.000 0.843 152 P CB 0.015 31.486 31.700 -0.381 0.000 0.787 153 H N -3.748 115.301 119.070 -0.035 0.000 1.955 153 H HA 0.345 4.901 4.556 -0.001 0.000 0.196 153 H C 1.220 176.538 175.328 -0.017 0.000 0.891 153 H CA 0.934 56.969 56.048 -0.022 0.000 1.001 153 H CB 0.052 29.804 29.762 -0.017 0.000 1.195 153 H HN 0.101 nan 8.280 nan 0.000 0.384 154 G N 1.239 110.094 108.800 0.092 0.000 2.756 154 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.678 154 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.678 154 G C 0.820 175.763 174.900 0.071 0.000 1.349 154 G CA -0.050 45.073 45.100 0.039 0.000 0.847 154 G HN 0.205 nan 8.290 nan 0.000 0.548 155 I N 0.516 121.112 120.570 0.044 0.000 2.091 155 I HA -0.299 3.870 4.170 -0.001 0.000 0.239 155 I C 3.041 179.203 176.117 0.076 0.000 1.061 155 I CA 2.824 64.159 61.300 0.059 0.000 1.317 155 I CB -0.409 37.613 38.000 0.037 0.000 1.031 155 I HN 0.838 nan 8.210 nan 0.000 0.401 156 Q N 0.650 120.495 119.800 0.074 0.000 2.119 156 Q HA -0.109 4.230 4.340 -0.001 0.000 0.201 156 Q C 2.033 178.095 176.000 0.103 0.000 0.972 156 Q CA 1.587 57.448 55.803 0.096 0.000 0.847 156 Q CB -0.676 28.111 28.738 0.083 0.000 0.903 156 Q HN 0.309 nan 8.270 nan 0.000 0.433 157 V N 1.386 121.356 119.914 0.094 0.000 2.427 157 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 157 V C 2.360 178.497 176.094 0.073 0.000 1.051 157 V CA 2.076 64.434 62.300 0.097 0.000 1.048 157 V CB -0.643 31.257 31.823 0.129 0.000 0.666 157 V HN 0.546 nan 8.190 nan 0.000 0.456 158 E N 0.435 120.682 120.200 0.078 0.000 2.051 158 E HA -0.230 4.119 4.350 -0.001 0.000 0.192 158 E C 2.461 179.073 176.600 0.021 0.000 0.991 158 E CA 1.243 57.673 56.400 0.050 0.000 0.799 158 E CB -0.058 29.706 29.700 0.107 0.000 0.748 158 E HN 0.525 nan 8.360 nan 0.000 0.449 159 R N 0.503 121.013 120.500 0.016 0.000 2.105 159 R HA -0.134 4.205 4.340 -0.001 0.000 0.239 159 R C 1.898 178.062 176.300 -0.226 0.000 1.135 159 R CA 1.484 57.514 56.100 -0.116 0.000 0.967 159 R CB -0.316 29.974 30.300 -0.016 0.000 0.861 159 R HN 0.289 nan 8.270 nan 0.000 0.442 160 D N 0.934 121.339 120.400 0.009 0.000 2.144 160 D HA -0.089 4.550 4.640 -0.001 0.000 0.200 160 D C 2.058 178.365 176.300 0.012 0.000 0.978 160 D CA 0.916 54.969 54.000 0.089 0.000 0.833 160 D CB -0.126 40.761 40.800 0.144 0.000 0.961 160 D HN 0.173 nan 8.370 nan 0.000 0.470 161 L N 0.015 121.230 121.223 -0.014 0.000 2.093 161 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 161 L C 2.159 179.004 176.870 -0.041 0.000 1.085 161 L CA 0.697 55.519 54.840 -0.029 0.000 0.755 161 L CB -0.094 41.927 42.059 -0.064 0.000 0.904 161 L HN 0.014 nan 8.230 nan 0.000 0.435 162 L N -1.316 119.865 121.223 -0.071 0.000 2.585 162 L HA 0.124 4.463 4.340 -0.001 0.000 0.226 162 L C 0.337 177.117 176.870 -0.150 0.000 1.113 162 L CA -0.134 54.661 54.840 -0.074 0.000 0.876 162 L CB -0.070 41.973 42.059 -0.027 0.000 1.072 162 L HN 0.302 nan 8.230 nan 0.000 0.468 163 N N 1.276 119.831 118.700 -0.243 0.000 2.735 163 N HA -0.165 4.574 4.740 -0.001 0.000 0.248 163 N C -0.243 175.004 175.510 -0.438 0.000 1.083 163 N CA 0.898 53.765 53.050 -0.305 0.000 0.703 163 N CB -0.737 37.705 38.487 -0.075 0.000 1.005 163 N HN 0.198 nan 8.380 nan 0.000 0.550 164 K N 0.988 121.004 120.400 -0.639 0.000 2.449 164 K HA 0.424 4.743 4.320 -0.001 0.000 0.257 164 K C -1.089 175.223 176.600 -0.480 0.000 0.989 164 K CA -0.174 55.873 56.287 -0.400 0.000 0.916 164 K CB 0.551 32.916 32.500 -0.226 0.000 1.136 164 K HN 0.080 nan 8.250 nan 0.000 0.439 165 Y N -0.005 120.303 120.300 0.013 0.000 2.512 165 Y HA 0.515 5.064 4.550 -0.001 0.000 0.348 165 Y C 1.233 177.143 175.900 0.017 0.000 0.990 165 Y CA -0.894 57.217 58.100 0.018 0.000 1.033 165 Y CB 2.614 41.084 38.460 0.017 0.000 1.259 165 Y HN 0.604 nan 8.280 nan 0.000 0.461 166 G N 1.293 110.208 108.800 0.192 0.000 2.176 166 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.232 166 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.232 166 G C -0.182 174.768 174.900 0.083 0.000 0.986 166 G CA 0.056 45.227 45.100 0.117 0.000 0.643 166 G HN 0.830 nan 8.290 nan 0.000 0.522 167 R N -0.843 119.703 120.500 0.077 0.000 2.741 167 R HA 0.540 4.879 4.340 -0.001 0.000 0.276 167 R C -3.494 172.840 176.300 0.056 0.000 1.028 167 R CA -1.346 54.792 56.100 0.063 0.000 0.865 167 R CB -0.269 30.064 30.300 0.054 0.000 1.268 167 R HN 0.003 nan 8.270 nan 0.000 0.475 168 P HA 0.137 nan 4.420 nan 0.000 0.267 168 P C -0.238 177.087 177.300 0.042 0.000 1.200 168 P CA 0.152 63.285 63.100 0.054 0.000 0.772 168 P CB 0.380 32.123 31.700 0.072 0.000 0.855 169 M N 1.693 121.318 119.600 0.041 0.000 2.291 169 M HA 0.344 4.824 4.480 -0.001 0.000 0.324 169 M C -0.076 176.273 176.300 0.081 0.000 1.148 169 M CA -0.302 55.023 55.300 0.042 0.000 1.104 169 M CB 0.519 33.186 32.600 0.111 0.000 1.483 169 M HN 0.131 nan 8.290 nan 0.000 0.467 170 L N 0.794 122.055 121.223 0.064 0.000 2.362 170 L HA 0.794 5.133 4.340 -0.001 0.000 0.275 170 L C 0.110 177.069 176.870 0.149 0.000 0.998 170 L CA -0.514 54.399 54.840 0.122 0.000 0.820 170 L CB 1.906 44.020 42.059 0.091 0.000 1.270 170 L HN 0.838 nan 8.230 nan 0.000 0.415 171 G N 0.557 109.456 108.800 0.165 0.000 3.105 171 G HA2 0.651 4.610 3.960 -0.001 0.000 0.277 171 G HA3 0.651 4.610 3.960 -0.001 0.000 0.277 171 G C -1.846 173.090 174.900 0.060 0.000 1.375 171 G CA -0.535 44.629 45.100 0.107 0.000 0.962 171 G HN 0.690 nan 8.290 nan 0.000 0.541 172 C N -0.058 119.223 119.300 -0.033 0.000 3.135 172 C HA 0.600 5.059 4.460 -0.001 0.000 0.428 172 C C -0.358 174.595 174.990 -0.061 0.000 0.972 172 C CA -0.502 58.513 59.018 -0.005 0.000 1.218 172 C CB 0.340 28.098 27.740 0.030 0.000 1.595 172 C HN 0.868 nan 8.230 nan 0.000 0.576 173 T N 7.176 121.719 114.554 -0.018 0.000 2.780 173 T HA 0.406 4.755 4.350 -0.001 0.000 0.294 173 T C 0.540 175.243 174.700 0.004 0.000 0.949 173 T CA -0.312 61.789 62.100 0.001 0.000 1.074 173 T CB 0.401 69.304 68.868 0.057 0.000 0.910 173 T HN 0.581 nan 8.240 nan 0.000 0.501 174 I N 3.844 124.402 120.570 -0.020 0.000 2.648 174 I HA 0.209 4.379 4.170 -0.001 0.000 0.284 174 I C 0.691 176.809 176.117 0.002 0.000 1.153 174 I CA 0.080 61.322 61.300 -0.097 0.000 1.426 174 I CB -0.086 37.651 38.000 -0.438 0.000 1.381 174 I HN 0.466 nan 8.210 nan 0.000 0.571 175 K N 6.333 126.734 120.400 0.001 0.000 2.443 175 K HA 0.564 4.883 4.320 -0.001 0.000 0.251 175 K C -2.430 174.193 176.600 0.038 0.000 0.972 175 K CA -1.638 54.677 56.287 0.046 0.000 0.833 175 K CB 1.498 34.030 32.500 0.053 0.000 1.317 175 K HN 0.301 nan 8.250 nan 0.000 0.441 176 P HA 0.109 nan 4.420 nan 0.000 0.269 176 P C 0.257 177.599 177.300 0.069 0.000 1.217 176 P CA -0.095 63.029 63.100 0.040 0.000 0.783 176 P CB 0.830 32.532 31.700 0.003 0.000 0.898 177 K N 0.239 120.673 120.400 0.057 0.000 2.044 177 K HA -0.081 4.238 4.320 -0.001 0.000 0.210 177 K C 0.729 177.385 176.600 0.093 0.000 1.049 177 K CA 1.284 57.621 56.287 0.083 0.000 0.927 177 K CB -0.280 32.251 32.500 0.051 0.000 0.713 177 K HN 0.410 nan 8.250 nan 0.000 0.443 178 L N -2.138 119.070 121.223 -0.024 0.000 2.371 178 L HA 0.431 4.770 4.340 -0.001 0.000 0.262 178 L C 0.606 177.167 176.870 -0.515 0.000 1.006 178 L CA -0.394 54.311 54.840 -0.224 0.000 0.818 178 L CB 2.374 44.332 42.059 -0.168 0.000 1.354 178 L HN 0.406 nan 8.230 nan 0.000 0.415 179 G N 1.297 109.403 108.800 -1.157 0.000 2.380 179 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.197 179 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.197 179 G C -0.186 174.524 174.900 -0.316 0.000 1.001 179 G CA -0.658 43.968 45.100 -0.791 0.000 0.668 179 G HN 0.305 nan 8.290 nan 0.000 0.483 180 L N 2.829 124.009 121.223 -0.072 0.000 2.371 180 L HA 0.543 4.882 4.340 -0.001 0.000 0.272 180 L C 1.535 178.554 176.870 0.247 0.000 1.124 180 L CA -0.036 54.887 54.840 0.138 0.000 0.816 180 L CB 1.429 43.653 42.059 0.276 0.000 1.129 180 L HN 0.476 nan 8.230 nan 0.000 0.448 181 S N 1.987 117.784 115.700 0.161 0.000 2.608 181 S HA 0.246 4.715 4.470 -0.001 0.000 0.261 181 S C 1.150 175.793 174.600 0.071 0.000 1.314 181 S CA -0.094 58.173 58.200 0.112 0.000 0.992 181 S CB 1.397 64.609 63.200 0.020 0.000 0.935 181 S HN 0.700 nan 8.310 nan 0.000 0.564 182 A N 1.332 124.138 122.820 -0.023 0.000 1.908 182 A HA -0.105 4.215 4.320 -0.001 0.000 0.218 182 A C 2.121 179.552 177.584 -0.256 0.000 1.181 182 A CA 2.091 54.102 52.037 -0.043 0.000 0.627 182 A CB -1.101 17.925 19.000 0.044 0.000 0.818 182 A HN 0.940 nan 8.150 nan 0.000 0.445 183 K N 0.162 120.167 120.400 -0.659 0.000 2.057 183 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 183 K C 1.596 178.059 176.600 -0.228 0.000 1.050 183 K CA 1.857 57.672 56.287 -0.787 0.000 0.935 183 K CB -0.290 31.769 32.500 -0.734 0.000 0.715 183 K HN 0.395 nan 8.250 nan 0.000 0.439 184 N N -0.530 118.113 118.700 -0.095 0.000 2.331 184 N HA -0.123 4.616 4.740 -0.001 0.000 0.180 184 N C 1.379 176.933 175.510 0.073 0.000 1.019 184 N CA 0.824 53.878 53.050 0.007 0.000 0.881 184 N CB -0.263 38.242 38.487 0.031 0.000 0.972 184 N HN 0.245 nan 8.380 nan 0.000 0.435 185 Y N 1.149 121.441 120.300 -0.014 0.000 2.133 185 Y HA -0.061 4.488 4.550 -0.001 0.000 0.287 185 Y C 2.418 178.336 175.900 0.030 0.000 1.134 185 Y CA 1.790 59.910 58.100 0.035 0.000 1.133 185 Y CB -0.665 37.836 38.460 0.068 0.000 0.987 185 Y HN 0.058 nan 8.280 nan 0.000 0.502 186 G N -0.563 108.338 108.800 0.169 0.000 2.432 186 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.219 186 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.219 186 G C 1.797 176.762 174.900 0.109 0.000 1.135 186 G CA 0.768 45.946 45.100 0.129 0.000 0.767 186 G HN 0.311 nan 8.290 nan 0.000 0.550 187 R N 0.493 121.045 120.500 0.087 0.000 2.080 187 R HA -0.046 4.293 4.340 -0.001 0.000 0.236 187 R C 2.880 179.233 176.300 0.088 0.000 1.137 187 R CA 1.602 57.770 56.100 0.113 0.000 0.943 187 R CB -0.434 29.907 30.300 0.068 0.000 0.846 187 R HN 0.277 nan 8.270 nan 0.000 0.431 188 A N 0.180 123.004 122.820 0.006 0.000 1.933 188 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 188 A C 2.283 179.836 177.584 -0.051 0.000 1.175 188 A CA 1.584 53.595 52.037 -0.044 0.000 0.628 188 A CB -0.494 18.436 19.000 -0.116 0.000 0.814 188 A HN 0.252 nan 8.150 nan 0.000 0.444 189 V N -1.202 118.684 119.914 -0.045 0.000 2.295 189 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 189 V C 2.370 178.488 176.094 0.040 0.000 1.049 189 V CA 2.123 64.419 62.300 -0.006 0.000 1.024 189 V CB -1.044 30.764 31.823 -0.025 0.000 0.648 189 V HN 0.742 nan 8.190 nan 0.000 0.447 190 Y N 1.553 121.846 120.300 -0.011 0.000 2.128 190 Y HA -0.232 4.317 4.550 -0.001 0.000 0.284 190 Y C 2.550 178.452 175.900 0.003 0.000 1.154 190 Y CA 1.975 60.077 58.100 0.003 0.000 1.149 190 Y CB -0.396 38.073 38.460 0.015 0.000 0.976 190 Y HN 0.278 nan 8.280 nan 0.000 0.505 191 E N -0.529 119.455 120.200 -0.361 0.000 2.106 191 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 191 E C 2.495 178.941 176.600 -0.256 0.000 0.984 191 E CA 1.306 57.460 56.400 -0.410 0.000 0.806 191 E CB -0.866 28.731 29.700 -0.172 0.000 0.750 191 E HN 0.550 nan 8.360 nan 0.000 0.458 192 C N 0.669 119.880 119.300 -0.147 0.000 2.462 192 C HA -0.066 4.393 4.460 -0.001 0.000 0.278 192 C C 2.863 177.792 174.990 -0.102 0.000 1.253 192 C CA 0.375 59.336 59.018 -0.095 0.000 1.713 192 C CB -1.110 26.601 27.740 -0.047 0.000 2.049 192 C HN 0.361 nan 8.230 nan 0.000 0.477 193 L N 1.190 122.359 121.223 -0.091 0.000 2.093 193 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 193 L C 2.904 179.719 176.870 -0.092 0.000 1.085 193 L CA 1.689 56.492 54.840 -0.063 0.000 0.755 193 L CB -0.738 41.319 42.059 -0.003 0.000 0.904 193 L HN 0.483 nan 8.230 nan 0.000 0.435 194 R N 0.469 120.862 120.500 -0.178 0.000 2.193 194 R HA -0.078 4.261 4.340 -0.001 0.000 0.229 194 R C 1.877 178.103 176.300 -0.124 0.000 1.110 194 R CA 1.353 57.352 56.100 -0.168 0.000 0.988 194 R CB -0.700 29.380 30.300 -0.367 0.000 0.871 194 R HN 0.255 nan 8.270 nan 0.000 0.458 195 G N -0.706 108.015 108.800 -0.132 0.000 2.880 195 G HA2 0.260 4.219 3.960 -0.001 0.000 0.209 195 G HA3 0.260 4.219 3.960 -0.001 0.000 0.209 195 G C 0.898 175.751 174.900 -0.078 0.000 1.157 195 G CA 0.256 45.294 45.100 -0.102 0.000 0.779 195 G HN 0.590 nan 8.290 nan 0.000 0.539 196 G N -0.764 107.993 108.800 -0.072 0.000 2.273 196 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.162 196 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.162 196 G C 0.274 175.134 174.900 -0.067 0.000 1.006 196 G CA -0.332 44.731 45.100 -0.061 0.000 0.704 196 G HN 0.321 nan 8.290 nan 0.000 0.487 197 L N 1.398 122.581 121.223 -0.068 0.000 2.417 197 L HA 0.338 4.678 4.340 -0.001 0.000 0.268 197 L C 1.126 177.925 176.870 -0.119 0.000 1.158 197 L CA -0.602 54.201 54.840 -0.063 0.000 0.819 197 L CB 0.591 42.634 42.059 -0.028 0.000 1.112 197 L HN 0.017 nan 8.230 nan 0.000 0.458 198 D N 1.537 121.815 120.400 -0.203 0.000 2.162 198 D HA 0.015 4.654 4.640 -0.001 0.000 0.203 198 D C -0.113 175.866 176.300 -0.536 0.000 0.967 198 D CA 1.571 55.288 54.000 -0.472 0.000 0.840 198 D CB 0.269 40.615 40.800 -0.757 0.000 0.972 198 D HN 0.147 nan 8.370 nan 0.000 0.482 199 F N -0.078 119.837 119.950 -0.057 0.000 2.588 199 F HA 0.306 4.832 4.527 -0.001 0.000 0.314 199 F C 0.620 176.275 175.800 -0.242 0.000 1.069 199 F CA -1.054 56.846 58.000 -0.167 0.000 0.931 199 F CB 1.780 40.628 39.000 -0.253 0.000 1.260 199 F HN -0.345 nan 8.300 nan 0.000 0.465 200 T N -1.111 113.390 114.554 -0.088 0.000 2.927 200 T HA 0.847 5.196 4.350 -0.001 0.000 0.286 200 T C -1.088 173.162 174.700 -0.751 0.000 1.040 200 T CA -1.026 60.943 62.100 -0.219 0.000 1.010 200 T CB 2.530 71.442 68.868 0.073 0.000 1.177 200 T HN 0.761 nan 8.240 nan 0.000 0.546 201 K N -0.202 119.797 120.400 -0.668 0.000 2.551 201 K HA 0.463 4.783 4.320 -0.001 0.000 0.269 201 K C -1.842 174.630 176.600 -0.213 0.000 0.949 201 K CA -0.897 54.924 56.287 -0.776 0.000 0.849 201 K CB 1.503 33.682 32.500 -0.535 0.000 1.411 201 K HN 0.385 nan 8.250 nan 0.000 0.432 202 D N 1.767 122.162 120.400 -0.008 0.000 2.423 202 D HA 0.023 4.662 4.640 -0.001 0.000 0.238 202 D C -0.278 176.135 176.300 0.189 0.000 1.142 202 D CA 0.489 54.675 54.000 0.310 0.000 0.884 202 D CB 0.594 41.563 40.800 0.282 0.000 1.199 202 D HN 0.392 nan 8.370 nan 0.000 0.438 203 D N 1.061 121.594 120.400 0.222 0.000 2.382 203 D HA -0.075 4.564 4.640 -0.001 0.000 0.240 203 D C 1.537 177.835 176.300 -0.004 0.000 1.146 203 D CA -0.136 53.926 54.000 0.103 0.000 0.897 203 D CB 0.817 41.691 40.800 0.123 0.000 1.197 203 D HN 0.412 nan 8.370 nan 0.000 0.432 204 E N 2.288 122.366 120.200 -0.204 0.000 2.160 204 E HA -0.251 4.098 4.350 -0.001 0.000 0.195 204 E C 0.670 177.171 176.600 -0.166 0.000 0.991 204 E CA 1.175 57.340 56.400 -0.390 0.000 0.810 204 E CB -0.311 28.782 29.700 -1.012 0.000 0.742 204 E HN 0.474 nan 8.360 nan 0.000 0.466 205 N N 0.948 119.602 118.700 -0.077 0.000 2.280 205 N HA 0.021 4.760 4.740 -0.001 0.000 0.192 205 N C 0.271 175.814 175.510 0.054 0.000 1.109 205 N CA -0.168 52.875 53.050 -0.012 0.000 0.855 205 N CB 0.064 38.554 38.487 0.005 0.000 0.974 205 N HN 0.074 nan 8.380 nan 0.000 0.482 206 I N 1.936 122.552 120.570 0.076 0.000 2.347 206 I HA 0.134 4.303 4.170 -0.001 0.000 0.294 206 I C 0.254 176.420 176.117 0.082 0.000 1.090 206 I CA 0.147 61.510 61.300 0.106 0.000 1.314 206 I CB -0.334 37.736 38.000 0.118 0.000 1.423 206 I HN 0.198 nan 8.210 nan 0.000 0.503 207 N N 3.364 122.097 118.700 0.055 0.000 3.189 207 N HA 0.142 4.882 4.740 -0.001 0.000 0.204 207 N C -0.207 175.339 175.510 0.060 0.000 1.231 207 N CA -0.267 52.812 53.050 0.049 0.000 1.130 207 N CB 0.615 39.103 38.487 0.002 0.000 1.393 207 N HN 0.397 nan 8.380 nan 0.000 0.540 208 S N 0.222 115.924 115.700 0.005 0.000 2.649 208 S HA 0.434 4.903 4.470 -0.001 0.000 0.274 208 S C -1.894 172.631 174.600 -0.125 0.000 1.176 208 S CA -0.411 57.791 58.200 0.002 0.000 0.988 208 S CB 1.248 64.552 63.200 0.173 0.000 1.071 208 S HN 0.253 nan 8.310 nan 0.000 0.478 209 Q N 3.243 122.853 119.800 -0.317 0.000 2.553 209 Q HA 0.489 4.828 4.340 -0.001 0.000 0.293 209 Q C -2.116 173.589 176.000 -0.491 0.000 1.038 209 Q CA -1.786 53.755 55.803 -0.437 0.000 0.777 209 Q CB 1.739 30.051 28.738 -0.709 0.000 1.487 209 Q HN 0.274 nan 8.270 nan 0.000 0.426 210 P HA -0.172 nan 4.420 nan 0.000 0.216 210 P C 0.576 177.785 177.300 -0.152 0.000 1.150 210 P CA 1.385 64.390 63.100 -0.157 0.000 0.843 210 P CB 0.054 31.740 31.700 -0.022 0.000 0.787 211 F N -1.581 118.367 119.950 -0.003 0.000 2.558 211 F HA 0.172 4.699 4.527 -0.001 0.000 0.298 211 F C 0.790 176.581 175.800 -0.014 0.000 1.119 211 F CA 0.158 58.155 58.000 -0.005 0.000 1.451 211 F CB -0.639 38.363 39.000 0.004 0.000 1.091 211 F HN -0.121 nan 8.300 nan 0.000 0.563 212 Q N 1.176 120.671 119.800 -0.507 0.000 2.605 212 Q HA 0.258 4.597 4.340 -0.001 0.000 0.228 212 Q C -1.284 174.533 176.000 -0.305 0.000 0.805 212 Q CA -0.629 55.013 55.803 -0.267 0.000 0.894 212 Q CB 0.995 29.685 28.738 -0.080 0.000 1.469 212 Q HN 0.095 nan 8.270 nan 0.000 0.445 213 R N 2.402 122.785 120.500 -0.195 0.000 2.539 213 R HA 0.174 4.513 4.340 -0.001 0.000 0.275 213 R C 1.181 177.384 176.300 -0.162 0.000 1.077 213 R CA -0.089 55.903 56.100 -0.180 0.000 1.097 213 R CB 0.192 30.361 30.300 -0.218 0.000 1.018 213 R HN 0.730 nan 8.270 nan 0.000 0.483 214 W N 4.245 125.444 121.300 -0.167 0.000 2.388 214 W HA -0.136 4.523 4.660 -0.001 0.000 0.294 214 W C 1.108 177.480 176.519 -0.245 0.000 1.212 214 W CA 0.982 58.215 57.345 -0.186 0.000 1.271 214 W CB -0.371 28.910 29.460 -0.298 0.000 1.126 214 W HN 0.594 nan 8.180 nan 0.000 0.535 215 R N 1.340 120.980 120.500 -1.432 0.000 2.115 215 R HA -0.129 4.210 4.340 -0.001 0.000 0.226 215 R C 1.766 177.831 176.300 -0.391 0.000 1.100 215 R CA 2.156 57.429 56.100 -1.378 0.000 0.980 215 R CB -0.521 28.672 30.300 -1.845 0.000 0.875 215 R HN -0.112 nan 8.270 nan 0.000 0.445 216 D N 0.349 120.597 120.400 -0.254 0.000 2.097 216 D HA -0.193 4.446 4.640 -0.001 0.000 0.197 216 D C 1.794 178.273 176.300 0.298 0.000 0.984 216 D CA 1.064 55.100 54.000 0.061 0.000 0.826 216 D CB -0.313 40.544 40.800 0.096 0.000 0.973 216 D HN 0.278 nan 8.370 nan 0.000 0.460 217 R N 0.030 120.678 120.500 0.246 0.000 2.083 217 R HA -0.160 4.179 4.340 -0.001 0.000 0.237 217 R C 2.233 178.799 176.300 0.444 0.000 1.137 217 R CA 1.047 57.346 56.100 0.331 0.000 0.951 217 R CB -0.396 30.048 30.300 0.241 0.000 0.851 217 R HN 0.063 nan 8.270 nan 0.000 0.434 218 F N 1.201 121.274 119.950 0.205 0.000 2.126 218 F HA -0.199 4.327 4.527 -0.001 0.000 0.299 218 F C 2.365 178.229 175.800 0.107 0.000 1.096 218 F CA 0.848 58.977 58.000 0.214 0.000 1.255 218 F CB -0.758 38.493 39.000 0.419 0.000 0.997 218 F HN 0.068 nan 8.300 nan 0.000 0.479 219 L N -1.526 119.893 121.223 0.325 0.000 1.994 219 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 219 L C 2.468 179.296 176.870 -0.071 0.000 1.071 219 L CA 1.884 56.764 54.840 0.067 0.000 0.745 219 L CB -0.661 41.347 42.059 -0.084 0.000 0.892 219 L HN 0.068 nan 8.230 nan 0.000 0.431 220 F N -0.987 119.010 119.950 0.078 0.000 2.186 220 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 220 F C 2.410 178.210 175.800 0.001 0.000 1.090 220 F CA 0.875 58.899 58.000 0.041 0.000 1.307 220 F CB -0.676 38.361 39.000 0.063 0.000 1.019 220 F HN -0.174 nan 8.300 nan 0.000 0.489 221 V N -0.204 119.805 119.914 0.159 0.000 2.427 221 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 221 V C 2.542 178.572 176.094 -0.106 0.000 1.051 221 V CA 1.677 63.961 62.300 -0.028 0.000 1.048 221 V CB -1.189 30.517 31.823 -0.194 0.000 0.666 221 V HN 0.348 nan 8.190 nan 0.000 0.456 222 A N -0.134 122.607 122.820 -0.131 0.000 1.933 222 A HA -0.307 4.013 4.320 -0.001 0.000 0.218 222 A C 2.020 179.320 177.584 -0.473 0.000 1.175 222 A CA 2.223 54.074 52.037 -0.310 0.000 0.628 222 A CB -0.668 18.185 19.000 -0.245 0.000 0.814 222 A HN 0.600 nan 8.150 nan 0.000 0.444 223 D N -0.460 119.818 120.400 -0.204 0.000 2.117 223 D HA -0.018 4.621 4.640 -0.001 0.000 0.197 223 D C 2.068 178.327 176.300 -0.069 0.000 0.987 223 D CA 1.465 55.406 54.000 -0.097 0.000 0.829 223 D CB -0.147 40.641 40.800 -0.021 0.000 0.961 223 D HN 0.358 nan 8.370 nan 0.000 0.460 224 A N -0.024 122.779 122.820 -0.028 0.000 1.933 224 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 224 A C 2.307 179.936 177.584 0.075 0.000 1.175 224 A CA 0.952 53.024 52.037 0.057 0.000 0.628 224 A CB -0.705 18.360 19.000 0.108 0.000 0.814 224 A HN 0.358 nan 8.150 nan 0.000 0.444 225 I N -1.232 119.315 120.570 -0.039 0.000 2.252 225 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 225 I C 2.368 178.521 176.117 0.061 0.000 1.102 225 I CA 1.504 62.798 61.300 -0.010 0.000 1.385 225 I CB -0.497 37.455 38.000 -0.080 0.000 1.064 225 I HN 0.479 nan 8.210 nan 0.000 0.414 226 H N 0.131 119.226 119.070 0.042 0.000 2.357 226 H HA -0.175 4.380 4.556 -0.001 0.000 0.301 226 H C 2.277 177.623 175.328 0.031 0.000 1.082 226 H CA 1.168 57.231 56.048 0.025 0.000 1.342 226 H CB 0.084 29.848 29.762 0.004 0.000 1.389 226 H HN 0.187 nan 8.280 nan 0.000 0.511 227 K N 0.930 121.413 120.400 0.139 0.000 2.057 227 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 227 K C 2.454 179.163 176.600 0.182 0.000 1.050 227 K CA 1.524 57.853 56.287 0.070 0.000 0.935 227 K CB 0.075 32.486 32.500 -0.148 0.000 0.715 227 K HN 0.293 nan 8.250 nan 0.000 0.439 228 S N 0.181 116.044 115.700 0.271 0.000 2.406 228 S HA -0.194 4.275 4.470 -0.001 0.000 0.228 228 S C 2.079 176.758 174.600 0.131 0.000 1.020 228 S CA 1.002 59.356 58.200 0.257 0.000 0.965 228 S CB -0.231 63.094 63.200 0.208 0.000 0.798 228 S HN 0.436 nan 8.310 nan 0.000 0.488 229 Q N 1.337 121.206 119.800 0.115 0.000 2.119 229 Q HA 0.051 4.390 4.340 -0.001 0.000 0.201 229 Q C 2.219 178.260 176.000 0.068 0.000 0.972 229 Q CA 1.211 57.060 55.803 0.078 0.000 0.847 229 Q CB -0.537 28.255 28.738 0.090 0.000 0.903 229 Q HN 0.705 nan 8.270 nan 0.000 0.433 230 A N 0.646 123.514 122.820 0.080 0.000 1.930 230 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 230 A C 1.730 179.348 177.584 0.056 0.000 1.175 230 A CA 1.516 53.588 52.037 0.057 0.000 0.627 230 A CB -0.369 18.662 19.000 0.052 0.000 0.815 230 A HN 0.506 nan 8.150 nan 0.000 0.443 231 E N -0.894 119.354 120.200 0.080 0.000 2.158 231 E HA -0.096 4.253 4.350 -0.001 0.000 0.191 231 E C 2.058 178.688 176.600 0.049 0.000 0.982 231 E CA 1.481 57.926 56.400 0.075 0.000 0.823 231 E CB -0.070 29.702 29.700 0.120 0.000 0.766 231 E HN 0.833 nan 8.360 nan 0.000 0.468 232 T N -3.706 110.873 114.554 0.042 0.000 3.015 232 T HA 0.220 4.569 4.350 -0.001 0.000 0.250 232 T C 1.602 176.310 174.700 0.014 0.000 1.057 232 T CA 0.411 62.524 62.100 0.021 0.000 1.066 232 T CB 0.627 69.500 68.868 0.008 0.000 0.959 232 T HN 0.213 nan 8.240 nan 0.000 0.488 233 G N 1.381 110.192 108.800 0.018 0.000 2.160 233 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.251 233 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.251 233 G C -0.323 174.578 174.900 0.002 0.000 1.008 233 G CA 0.276 45.383 45.100 0.012 0.000 0.724 233 G HN 0.685 nan 8.290 nan 0.000 0.514 234 E N -0.524 119.673 120.200 -0.005 0.000 2.288 234 E HA 0.512 4.861 4.350 -0.001 0.000 0.268 234 E C 0.307 176.890 176.600 -0.028 0.000 0.885 234 E CA -1.294 55.091 56.400 -0.025 0.000 0.767 234 E CB 1.508 31.182 29.700 -0.043 0.000 1.220 234 E HN 0.050 nan 8.360 nan 0.000 0.427 235 I N 2.895 123.439 120.570 -0.043 0.000 2.668 235 I HA -0.012 4.157 4.170 -0.001 0.000 0.285 235 I C 0.266 176.340 176.117 -0.070 0.000 1.168 235 I CA 0.501 61.779 61.300 -0.036 0.000 1.424 235 I CB -0.423 37.552 38.000 -0.042 0.000 1.377 235 I HN 0.302 nan 8.210 nan 0.000 0.560 236 K N 4.689 125.079 120.400 -0.017 0.000 2.267 236 K HA 0.795 5.114 4.320 -0.001 0.000 0.246 236 K C -0.016 176.635 176.600 0.084 0.000 0.954 236 K CA -0.659 55.618 56.287 -0.016 0.000 0.824 236 K CB 2.476 34.990 32.500 0.024 0.000 1.167 236 K HN 0.804 nan 8.250 nan 0.000 0.431 237 G N 0.349 109.259 108.800 0.183 0.000 2.690 237 G HA2 0.405 4.364 3.960 -0.001 0.000 0.291 237 G HA3 0.405 4.364 3.960 -0.001 0.000 0.291 237 G C -1.848 173.261 174.900 0.348 0.000 1.403 237 G CA -0.264 45.054 45.100 0.364 0.000 0.864 237 G HN 0.556 nan 8.290 nan 0.000 0.480 238 H N 0.561 119.708 119.070 0.129 0.000 2.934 238 H HA 0.305 4.860 4.556 -0.001 0.000 0.340 238 H C -1.162 174.187 175.328 0.036 0.000 1.008 238 H CA -0.579 55.464 56.048 -0.009 0.000 1.317 238 H CB 1.339 31.097 29.762 -0.007 0.000 1.670 238 H HN 0.371 nan 8.280 nan 0.000 0.516 239 Y N 5.641 125.713 120.300 -0.380 0.000 2.680 239 Y HA 0.113 4.662 4.550 -0.001 0.000 0.356 239 Y C 0.676 176.487 175.900 -0.148 0.000 1.122 239 Y CA -0.603 57.341 58.100 -0.260 0.000 1.509 239 Y CB -0.573 37.686 38.460 -0.334 0.000 1.245 239 Y HN 0.337 nan 8.280 nan 0.000 0.513 240 L N 3.824 125.103 121.223 0.094 0.000 2.361 240 L HA 0.149 4.488 4.340 -0.001 0.000 0.278 240 L C 0.720 177.639 176.870 0.083 0.000 1.113 240 L CA 0.055 54.882 54.840 -0.021 0.000 0.849 240 L CB 0.306 42.003 42.059 -0.603 0.000 1.155 240 L HN 0.618 nan 8.230 nan 0.000 0.452 241 N N 2.135 120.958 118.700 0.204 0.000 2.416 241 N HA 0.102 4.841 4.740 -0.001 0.000 0.265 241 N C 0.811 176.483 175.510 0.269 0.000 1.195 241 N CA -0.412 52.769 53.050 0.218 0.000 0.943 241 N CB 0.938 39.536 38.487 0.185 0.000 1.115 241 N HN 0.527 nan 8.380 nan 0.000 0.481 242 V N 0.464 120.497 119.914 0.198 0.000 3.621 242 V HA 0.150 4.269 4.120 -0.001 0.000 0.285 242 V C 0.633 176.757 176.094 0.049 0.000 1.346 242 V CA -0.204 62.153 62.300 0.096 0.000 1.104 242 V CB -0.241 31.584 31.823 0.004 0.000 0.913 242 V HN 0.419 nan 8.190 nan 0.000 0.432 243 T N 3.254 117.896 114.554 0.147 0.000 2.866 243 T HA 0.502 4.852 4.350 -0.001 0.000 0.293 243 T C 0.192 174.888 174.700 -0.007 0.000 1.005 243 T CA 1.175 63.340 62.100 0.110 0.000 1.162 243 T CB 0.366 69.235 68.868 0.002 0.000 0.968 243 T HN 1.034 nan 8.240 nan 0.000 0.530 244 A N 5.278 128.085 122.820 -0.022 0.000 2.569 244 A HA 0.788 5.107 4.320 -0.001 0.000 0.290 244 A C -1.680 175.866 177.584 -0.063 0.000 1.136 244 A CA -1.347 50.636 52.037 -0.090 0.000 0.710 244 A CB 0.811 19.712 19.000 -0.165 0.000 1.303 244 A HN 0.529 nan 8.150 nan 0.000 0.413 245 P HA 0.023 nan 4.420 nan 0.000 0.219 245 P C 0.573 177.845 177.300 -0.046 0.000 1.150 245 P CA 1.882 64.951 63.100 -0.053 0.000 0.814 245 P CB -0.050 31.619 31.700 -0.051 0.000 0.787 246 T N -4.787 109.732 114.554 -0.059 0.000 2.883 246 T HA 0.316 4.665 4.350 -0.001 0.000 0.296 246 T C 1.030 175.690 174.700 -0.065 0.000 1.117 246 T CA -0.656 61.413 62.100 -0.051 0.000 1.006 246 T CB 1.046 69.883 68.868 -0.052 0.000 1.191 246 T HN -0.097 nan 8.240 nan 0.000 0.508 247 C N 0.603 119.871 119.300 -0.053 0.000 2.413 247 C HA -0.037 4.422 4.460 -0.001 0.000 0.277 247 C C 2.640 177.568 174.990 -0.104 0.000 1.265 247 C CA 1.014 59.990 59.018 -0.070 0.000 1.752 247 C CB -1.368 26.345 27.740 -0.045 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.813 120.960 120.200 -0.089 0.000 2.051 248 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 248 E C 2.268 178.782 176.600 -0.143 0.000 0.991 248 E CA 0.965 57.306 56.400 -0.098 0.000 0.799 248 E CB -0.286 29.374 29.700 -0.067 0.000 0.748 248 E HN 0.515 nan 8.360 nan 0.000 0.449 249 E N 0.167 120.274 120.200 -0.155 0.000 2.072 249 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 249 E C 2.022 178.429 176.600 -0.322 0.000 0.985 249 E CA 0.752 57.013 56.400 -0.231 0.000 0.801 249 E CB -0.277 29.299 29.700 -0.207 0.000 0.750 249 E HN 0.315 nan 8.360 nan 0.000 0.452 250 M N -0.226 119.223 119.600 -0.252 0.000 2.082 250 M HA -0.218 4.262 4.480 -0.001 0.000 0.258 250 M C 1.971 178.057 176.300 -0.357 0.000 1.069 250 M CA 1.513 56.650 55.300 -0.272 0.000 1.102 250 M CB -0.012 32.469 32.600 -0.198 0.000 1.336 250 M HN 0.037 nan 8.290 nan 0.000 0.404 251 M N -0.124 119.274 119.600 -0.335 0.000 2.200 251 M HA -0.164 4.315 4.480 -0.001 0.000 0.265 251 M C 2.099 178.180 176.300 -0.364 0.000 1.066 251 M CA 1.464 56.512 55.300 -0.419 0.000 1.127 251 M CB -1.182 31.237 32.600 -0.301 0.000 1.379 251 M HN 0.368 nan 8.290 nan 0.000 0.420 252 K N 0.454 120.685 120.400 -0.282 0.000 2.097 252 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 252 K C 2.040 178.476 176.600 -0.274 0.000 1.049 252 K CA 1.309 57.472 56.287 -0.206 0.000 0.933 252 K CB 0.116 32.507 32.500 -0.182 0.000 0.717 252 K HN 0.269 nan 8.250 nan 0.000 0.442 253 R N -0.232 119.933 120.500 -0.558 0.000 2.073 253 R HA -0.000 4.339 4.340 -0.001 0.000 0.229 253 R C 2.408 178.672 176.300 -0.060 0.000 1.120 253 R CA 0.988 56.684 56.100 -0.673 0.000 0.967 253 R CB -0.268 29.477 30.300 -0.925 0.000 0.862 253 R HN 0.185 nan 8.270 nan 0.000 0.436 254 A N 1.157 123.826 122.820 -0.251 0.000 1.940 254 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 254 A C 1.974 179.448 177.584 -0.182 0.000 1.176 254 A CA 1.616 53.430 52.037 -0.371 0.000 0.631 254 A CB -0.319 18.034 19.000 -1.078 0.000 0.814 254 A HN 0.213 nan 8.150 nan 0.000 0.446 255 E N -1.206 118.917 120.200 -0.128 0.000 2.077 255 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 255 E C 1.598 178.418 176.600 0.366 0.000 0.989 255 E CA 1.191 57.710 56.400 0.198 0.000 0.800 255 E CB -0.335 29.448 29.700 0.138 0.000 0.746 255 E HN 0.575 nan 8.360 nan 0.000 0.452 256 F N 0.465 120.561 119.950 0.243 0.000 2.186 256 F HA 0.016 4.542 4.527 -0.001 0.000 0.299 256 F C 1.953 177.993 175.800 0.399 0.000 1.090 256 F CA 1.193 59.393 58.000 0.334 0.000 1.307 256 F CB -0.710 38.557 39.000 0.445 0.000 1.019 256 F HN 0.067 nan 8.300 nan 0.000 0.489 257 A N 0.227 123.293 122.820 0.410 0.000 1.908 257 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 257 A C 2.402 180.065 177.584 0.131 0.000 1.181 257 A CA 1.901 54.057 52.037 0.198 0.000 0.627 257 A CB -0.837 18.288 19.000 0.208 0.000 0.818 257 A HN 0.406 nan 8.150 nan 0.000 0.445 258 K N -0.428 120.130 120.400 0.264 0.000 2.057 258 K HA -0.183 4.137 4.320 -0.001 0.000 0.206 258 K C 2.072 178.750 176.600 0.130 0.000 1.050 258 K CA 1.580 58.008 56.287 0.235 0.000 0.935 258 K CB -0.177 32.548 32.500 0.376 0.000 0.715 258 K HN 0.649 nan 8.250 nan 0.000 0.439 259 E N 0.556 120.834 120.200 0.130 0.000 2.118 259 E HA -0.170 4.180 4.350 -0.001 0.000 0.195 259 E C 1.783 178.372 176.600 -0.019 0.000 0.992 259 E CA 0.860 57.311 56.400 0.085 0.000 0.804 259 E CB 0.036 29.843 29.700 0.179 0.000 0.741 259 E HN 0.321 nan 8.360 nan 0.000 0.458 260 L N -0.534 120.603 121.223 -0.145 0.000 2.554 260 L HA 0.110 4.449 4.340 -0.001 0.000 0.226 260 L C 1.313 178.181 176.870 -0.004 0.000 1.137 260 L CA 0.424 55.177 54.840 -0.144 0.000 0.863 260 L CB 0.039 41.917 42.059 -0.302 0.000 0.985 260 L HN 0.375 nan 8.230 nan 0.000 0.451 261 G N 0.108 108.921 108.800 0.022 0.000 2.176 261 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.252 261 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.252 261 G C 0.253 175.190 174.900 0.061 0.000 1.024 261 G CA -0.207 44.925 45.100 0.054 0.000 0.755 261 G HN 0.102 nan 8.290 nan 0.000 0.507 262 M N 0.382 120.005 119.600 0.039 0.000 2.200 262 M HA 0.208 4.687 4.480 -0.001 0.000 0.355 262 M C -0.501 175.833 176.300 0.058 0.000 1.283 262 M CA -2.030 53.292 55.300 0.036 0.000 1.124 262 M CB 0.746 33.340 32.600 -0.009 0.000 1.625 262 M HN 0.044 nan 8.290 nan 0.000 0.463 263 P HA 0.177 nan 4.420 nan 0.000 0.231 263 P C 0.060 177.385 177.300 0.041 0.000 1.168 263 P CA 0.794 63.927 63.100 0.055 0.000 0.779 263 P CB 0.975 32.726 31.700 0.085 0.000 0.844 264 I N -0.167 120.440 120.570 0.063 0.000 2.722 264 I HA 0.353 4.522 4.170 -0.001 0.000 0.292 264 I C -1.268 174.877 176.117 0.047 0.000 1.267 264 I CA -1.463 59.851 61.300 0.023 0.000 1.036 264 I CB 2.254 40.250 38.000 -0.006 0.000 1.281 264 I HN -0.256 nan 8.210 nan 0.000 0.423 265 I N 4.393 124.978 120.570 0.025 0.000 3.206 265 I HA 0.689 4.858 4.170 -0.001 0.000 0.313 265 I C -0.955 175.184 176.117 0.036 0.000 1.103 265 I CA -0.990 60.340 61.300 0.052 0.000 0.985 265 I CB 2.202 40.253 38.000 0.084 0.000 1.240 265 I HN 0.710 nan 8.210 nan 0.000 0.464 266 M N 1.625 121.289 119.600 0.108 0.000 2.690 266 M HA 0.652 5.131 4.480 -0.001 0.000 0.302 266 M C -1.619 174.809 176.300 0.213 0.000 1.234 266 M CA -0.514 54.882 55.300 0.160 0.000 0.853 266 M CB 2.345 35.112 32.600 0.279 0.000 1.748 266 M HN 0.781 nan 8.290 nan 0.000 0.469 267 H N -0.123 118.984 119.070 0.062 0.000 2.947 267 H HA 0.424 4.979 4.556 -0.001 0.000 0.354 267 H C -1.993 173.381 175.328 0.076 0.000 1.085 267 H CA -0.527 55.547 56.048 0.043 0.000 1.253 267 H CB 1.684 31.456 29.762 0.016 0.000 1.757 267 H HN 0.769 nan 8.280 nan 0.000 0.523 268 D N 6.066 126.263 120.400 -0.339 0.000 2.453 268 D HA 0.022 4.661 4.640 -0.001 0.000 0.223 268 D C 1.128 177.191 176.300 -0.395 0.000 1.183 268 D CA -0.214 53.649 54.000 -0.229 0.000 0.933 268 D CB -0.267 40.413 40.800 -0.199 0.000 1.038 268 D HN 0.521 nan 8.370 nan 0.000 0.513 269 F N 0.881 120.590 119.950 -0.402 0.000 2.293 269 F HA -0.042 4.484 4.527 -0.001 0.000 0.300 269 F C 1.241 176.763 175.800 -0.464 0.000 1.086 269 F CA 0.726 58.478 58.000 -0.413 0.000 1.375 269 F CB -0.428 38.375 39.000 -0.328 0.000 1.045 269 F HN 0.171 nan 8.300 nan 0.000 0.516 270 L N 0.518 121.132 121.223 -1.015 0.000 2.202 270 L HA -0.041 4.298 4.340 -0.001 0.000 0.205 270 L C 2.660 179.266 176.870 -0.440 0.000 1.083 270 L CA 1.417 55.728 54.840 -0.883 0.000 0.790 270 L CB -0.894 40.639 42.059 -0.876 0.000 0.942 270 L HN 0.365 nan 8.230 nan 0.000 0.452 271 T N -3.047 111.306 114.554 -0.335 0.000 2.985 271 T HA 0.070 4.419 4.350 -0.001 0.000 0.266 271 T C 1.791 176.381 174.700 -0.185 0.000 1.076 271 T CA 0.725 62.696 62.100 -0.214 0.000 1.135 271 T CB 0.026 68.795 68.868 -0.165 0.000 0.890 271 T HN 0.241 nan 8.240 nan 0.000 0.480 272 A N 1.559 124.239 122.820 -0.234 0.000 1.903 272 A HA 0.621 4.940 4.320 -0.001 0.000 0.213 272 A C 1.486 179.020 177.584 -0.085 0.000 1.185 272 A CA 0.720 52.670 52.037 -0.145 0.000 0.628 272 A CB -0.799 18.084 19.000 -0.195 0.000 0.830 272 A HN 1.435 nan 8.150 nan 0.000 0.446 273 G N -3.152 105.557 108.800 -0.152 0.000 2.539 273 G HA2 0.046 4.005 3.960 -0.001 0.000 0.686 273 G HA3 0.046 4.005 3.960 -0.001 0.000 0.686 273 G C -0.061 174.827 174.900 -0.019 0.000 1.258 273 G CA -0.226 44.812 45.100 -0.103 0.000 0.846 273 G HN 0.218 nan 8.290 nan 0.000 0.647 274 F N 0.480 120.485 119.950 0.091 0.000 2.234 274 F HA 0.044 4.570 4.527 -0.001 0.000 0.299 274 F C 3.048 178.920 175.800 0.119 0.000 1.087 274 F CA 2.207 60.291 58.000 0.140 0.000 1.340 274 F CB -0.222 38.853 39.000 0.124 0.000 1.031 274 F HN 0.536 nan 8.300 nan 0.000 0.500 275 T N -0.439 114.272 114.554 0.262 0.000 2.777 275 T HA -0.137 4.212 4.350 -0.001 0.000 0.266 275 T C 2.316 177.093 174.700 0.129 0.000 1.040 275 T CA 1.301 63.502 62.100 0.168 0.000 1.141 275 T CB -0.556 68.382 68.868 0.116 0.000 0.868 275 T HN 0.262 nan 8.240 nan 0.000 0.444 276 A N 1.963 124.856 122.820 0.122 0.000 1.898 276 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 276 A C 2.257 179.893 177.584 0.086 0.000 1.181 276 A CA 1.459 53.550 52.037 0.091 0.000 0.620 276 A CB -0.762 18.311 19.000 0.120 0.000 0.819 276 A HN 0.521 nan 8.150 nan 0.000 0.442 277 N N -0.404 118.419 118.700 0.204 0.000 2.120 277 N HA -0.148 4.591 4.740 -0.001 0.000 0.188 277 N C 1.589 177.175 175.510 0.126 0.000 1.024 277 N CA 2.052 55.221 53.050 0.197 0.000 0.852 277 N CB -0.161 38.500 38.487 0.290 0.000 1.003 277 N HN 0.422 nan 8.380 nan 0.000 0.424 278 T N -0.162 114.495 114.554 0.172 0.000 2.788 278 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 278 T C 1.824 176.579 174.700 0.092 0.000 1.044 278 T CA 1.464 63.652 62.100 0.147 0.000 1.139 278 T CB -0.517 68.454 68.868 0.172 0.000 0.867 278 T HN 0.308 nan 8.240 nan 0.000 0.454 279 T N 2.189 116.785 114.554 0.070 0.000 2.684 279 T HA -0.059 4.290 4.350 -0.001 0.000 0.267 279 T C 1.857 176.591 174.700 0.058 0.000 1.036 279 T CA 0.928 63.058 62.100 0.050 0.000 1.148 279 T CB -0.425 68.453 68.868 0.016 0.000 0.863 279 T HN 0.114 nan 8.240 nan 0.000 0.436 280 L N 1.138 122.355 121.223 -0.010 0.000 2.056 280 L HA 0.162 4.501 4.340 -0.001 0.000 0.207 280 L C 2.582 179.516 176.870 0.108 0.000 1.078 280 L CA 1.738 56.566 54.840 -0.020 0.000 0.749 280 L CB -0.986 40.915 42.059 -0.264 0.000 0.901 280 L HN 0.215 nan 8.230 nan 0.000 0.433 281 A N -0.640 122.218 122.820 0.064 0.000 1.933 281 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 281 A C 2.211 179.829 177.584 0.056 0.000 1.175 281 A CA 1.602 53.672 52.037 0.055 0.000 0.628 281 A CB -0.436 18.586 19.000 0.037 0.000 0.814 281 A HN 0.412 nan 8.150 nan 0.000 0.444 282 K N -1.480 118.968 120.400 0.079 0.000 2.057 282 K HA -0.176 4.143 4.320 -0.001 0.000 0.206 282 K C 1.781 178.427 176.600 0.076 0.000 1.050 282 K CA 1.316 57.638 56.287 0.058 0.000 0.935 282 K CB -0.557 31.982 32.500 0.065 0.000 0.715 282 K HN 0.756 nan 8.250 nan 0.000 0.439 283 W N 1.823 123.108 121.300 -0.025 0.000 2.358 283 W HA -0.253 4.406 4.660 -0.001 0.000 0.303 283 W C 2.103 178.619 176.519 -0.004 0.000 1.208 283 W CA 1.333 58.669 57.345 -0.015 0.000 1.274 283 W CB -0.400 29.048 29.460 -0.021 0.000 1.138 283 W HN 0.022 nan 8.180 nan 0.000 0.515 284 C N 0.110 119.510 119.300 0.167 0.000 2.413 284 C HA -0.170 4.289 4.460 -0.001 0.000 0.276 284 C C 2.717 177.638 174.990 -0.116 0.000 1.248 284 C CA 1.497 60.533 59.018 0.029 0.000 1.742 284 C CB -1.534 26.307 27.740 0.168 0.000 2.017 284 C HN 0.437 nan 8.230 nan 0.000 0.481 285 R N 1.340 121.750 120.500 -0.151 0.000 2.081 285 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 285 R C 1.550 177.742 176.300 -0.180 0.000 1.131 285 R CA 1.822 57.792 56.100 -0.216 0.000 0.960 285 R CB -0.553 29.639 30.300 -0.181 0.000 0.856 285 R HN 0.428 nan 8.270 nan 0.000 0.436 286 D N -0.472 119.795 120.400 -0.222 0.000 2.317 286 D HA -0.028 4.612 4.640 -0.001 0.000 0.211 286 D C 0.447 176.558 176.300 -0.316 0.000 0.966 286 D CA 0.764 54.627 54.000 -0.229 0.000 0.876 286 D CB 0.091 40.767 40.800 -0.208 0.000 0.927 286 D HN 0.312 nan 8.370 nan 0.000 0.519 287 N N -0.707 117.705 118.700 -0.480 0.000 2.159 287 N HA 0.096 4.835 4.740 -0.001 0.000 0.217 287 N C 0.832 176.161 175.510 -0.301 0.000 1.223 287 N CA 0.348 53.075 53.050 -0.537 0.000 0.896 287 N CB 1.827 39.600 38.487 -1.191 0.000 1.064 287 N HN 0.047 nan 8.380 nan 0.000 0.518 288 G N 1.312 110.034 108.800 -0.131 0.000 2.221 288 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.265 288 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.265 288 G C -0.173 174.701 174.900 -0.043 0.000 1.041 288 G CA 0.262 45.377 45.100 0.024 0.000 0.807 288 G HN 0.155 nan 8.290 nan 0.000 0.502 289 V N 0.899 120.818 119.914 0.008 0.000 2.435 289 V HA 0.580 4.699 4.120 -0.001 0.000 0.290 289 V C 1.010 177.163 176.094 0.099 0.000 1.030 289 V CA -0.903 61.419 62.300 0.036 0.000 0.881 289 V CB 1.732 33.643 31.823 0.147 0.000 0.983 289 V HN 0.340 nan 8.190 nan 0.000 0.445 290 L N 4.553 125.747 121.223 -0.047 0.000 2.436 290 L HA 0.380 4.719 4.340 -0.001 0.000 0.265 290 L C -0.397 176.437 176.870 -0.061 0.000 1.168 290 L CA -0.249 54.554 54.840 -0.061 0.000 0.815 290 L CB 0.763 42.714 42.059 -0.179 0.000 1.109 290 L HN 0.437 nan 8.230 nan 0.000 0.462 291 L N 2.472 123.633 121.223 -0.105 0.000 2.342 291 L HA 0.346 4.685 4.340 -0.001 0.000 0.276 291 L C -0.616 176.080 176.870 -0.290 0.000 0.997 291 L CA -0.251 54.515 54.840 -0.123 0.000 0.838 291 L CB 0.984 43.025 42.059 -0.030 0.000 1.224 291 L HN 0.475 nan 8.230 nan 0.000 0.416 292 H N 5.437 124.223 119.070 -0.473 0.000 2.527 292 H HA 0.565 5.120 4.556 -0.001 0.000 0.321 292 H C -0.873 174.334 175.328 -0.202 0.000 1.087 292 H CA -0.480 55.240 56.048 -0.547 0.000 1.337 292 H CB 0.778 29.932 29.762 -1.014 0.000 1.440 292 H HN 0.500 nan 8.280 nan 0.000 0.490 293 I N 5.864 126.061 120.570 -0.621 0.000 2.339 293 I HA 0.107 4.276 4.170 -0.001 0.000 0.290 293 I C 0.129 176.029 176.117 -0.362 0.000 0.994 293 I CA -0.423 60.662 61.300 -0.359 0.000 1.191 293 I CB 0.832 38.615 38.000 -0.362 0.000 1.343 293 I HN 0.723 nan 8.210 nan 0.000 0.458 294 H N 7.293 126.237 119.070 -0.210 0.000 2.502 294 H HA 0.290 4.845 4.556 -0.001 0.000 0.327 294 H C 0.220 175.517 175.328 -0.051 0.000 1.099 294 H CA -0.401 55.491 56.048 -0.261 0.000 1.323 294 H CB 1.261 30.925 29.762 -0.162 0.000 1.450 294 H HN 0.505 nan 8.280 nan 0.000 0.502 295 R N 2.956 123.261 120.500 -0.324 0.000 2.555 295 R HA 0.375 4.714 4.340 -0.001 0.000 0.272 295 R C 0.510 176.828 176.300 0.029 0.000 1.089 295 R CA -0.254 55.862 56.100 0.025 0.000 1.126 295 R CB -0.092 30.143 30.300 -0.109 0.000 1.250 295 R HN 0.375 nan 8.270 nan 0.000 0.551 296 A N 1.457 124.387 122.820 0.183 0.000 2.580 296 A HA 0.103 4.422 4.320 -0.001 0.000 0.244 296 A C 0.930 178.517 177.584 0.004 0.000 1.045 296 A CA 0.928 53.068 52.037 0.172 0.000 0.761 296 A CB -0.276 18.807 19.000 0.138 0.000 0.962 296 A HN 0.842 nan 8.150 nan 0.000 0.512 297 M N 0.570 120.171 119.600 0.001 0.000 3.035 297 M HA -0.280 4.200 4.480 -0.001 0.000 0.218 297 M C 0.976 177.218 176.300 -0.097 0.000 0.567 297 M CA 1.790 57.044 55.300 -0.078 0.000 0.833 297 M CB -2.039 30.490 32.600 -0.117 0.000 2.966 297 M HN 1.253 nan 8.290 nan 0.000 0.300 298 H N -0.761 118.247 119.070 -0.104 0.000 2.422 298 H HA 0.264 4.819 4.556 -0.001 0.000 0.298 298 H C 1.697 177.002 175.328 -0.038 0.000 1.098 298 H CA 1.887 57.904 56.048 -0.052 0.000 1.315 298 H CB -0.422 29.366 29.762 0.043 0.000 1.382 298 H HN 0.491 nan 8.280 nan 0.000 0.523 299 A N 1.120 123.410 122.820 -0.883 0.000 2.119 299 A HA 0.026 4.346 4.320 -0.001 0.000 0.217 299 A C 2.435 179.864 177.584 -0.259 0.000 1.153 299 A CA 0.912 52.579 52.037 -0.615 0.000 0.692 299 A CB -0.631 18.016 19.000 -0.589 0.000 0.799 299 A HN 0.352 nan 8.150 nan 0.000 0.458 300 V N -0.182 119.615 119.914 -0.195 0.000 2.594 300 V HA -0.244 3.876 4.120 -0.001 0.000 0.253 300 V C 2.163 178.218 176.094 -0.065 0.000 1.069 300 V CA 2.096 64.334 62.300 -0.105 0.000 1.082 300 V CB -0.528 31.242 31.823 -0.088 0.000 0.680 300 V HN 0.618 nan 8.190 nan 0.000 0.469 301 I N 0.343 120.869 120.570 -0.073 0.000 3.172 301 I HA 0.014 4.183 4.170 -0.001 0.000 0.278 301 I C 1.669 177.783 176.117 -0.004 0.000 1.174 301 I CA 0.969 62.250 61.300 -0.032 0.000 1.445 301 I CB -0.020 37.959 38.000 -0.035 0.000 1.175 301 I HN 0.443 nan 8.210 nan 0.000 0.447 302 D N -0.240 120.147 120.400 -0.023 0.000 2.433 302 D HA -0.030 4.609 4.640 -0.001 0.000 0.211 302 D C 1.785 178.074 176.300 -0.019 0.000 1.114 302 D CA -0.063 53.937 54.000 -0.000 0.000 0.837 302 D CB 0.004 40.837 40.800 0.055 0.000 0.984 302 D HN 0.006 nan 8.370 nan 0.000 0.505 303 R N 0.156 120.638 120.500 -0.029 0.000 2.062 303 R HA 0.039 4.378 4.340 -0.001 0.000 0.226 303 R C 0.411 176.735 176.300 0.041 0.000 1.125 303 R CA 0.977 57.067 56.100 -0.016 0.000 0.966 303 R CB -0.004 30.266 30.300 -0.051 0.000 0.861 303 R HN 0.018 nan 8.270 nan 0.000 0.433 304 Q N 0.901 120.739 119.800 0.062 0.000 2.261 304 Q HA 0.080 4.419 4.340 -0.001 0.000 0.252 304 Q C 0.268 176.348 176.000 0.132 0.000 0.915 304 Q CA -0.014 55.844 55.803 0.092 0.000 0.915 304 Q CB 1.472 30.266 28.738 0.093 0.000 1.204 304 Q HN 0.456 nan 8.270 nan 0.000 0.421 305 R N 0.823 121.406 120.500 0.138 0.000 2.310 305 R HA 0.012 4.351 4.340 -0.001 0.000 0.202 305 R C 0.798 177.191 176.300 0.154 0.000 0.933 305 R CA 0.610 56.810 56.100 0.167 0.000 1.054 305 R CB -0.000 30.402 30.300 0.170 0.000 0.985 305 R HN 0.468 nan 8.270 nan 0.000 0.489 306 N N 0.238 119.026 118.700 0.148 0.000 2.405 306 N HA -0.097 4.642 4.740 -0.001 0.000 0.175 306 N C -0.396 175.254 175.510 0.234 0.000 1.051 306 N CA 0.463 53.602 53.050 0.149 0.000 0.899 306 N CB 0.086 38.643 38.487 0.117 0.000 1.000 306 N HN 0.385 nan 8.380 nan 0.000 0.451 307 H N -1.229 117.929 119.070 0.145 0.000 3.026 307 H HA 0.560 5.115 4.556 -0.001 0.000 0.352 307 H C -0.008 175.451 175.328 0.219 0.000 1.090 307 H CA 0.404 56.574 56.048 0.204 0.000 1.268 307 H CB 1.454 31.318 29.762 0.170 0.000 1.816 307 H HN 0.359 nan 8.280 nan 0.000 0.518 308 G N 2.565 111.392 108.800 0.045 0.000 2.250 308 G HA2 0.016 3.976 3.960 -0.001 0.000 0.252 308 G HA3 0.016 3.976 3.960 -0.001 0.000 0.252 308 G C -1.609 173.352 174.900 0.102 0.000 1.325 308 G CA -0.348 44.785 45.100 0.055 0.000 1.091 308 G HN 0.627 nan 8.290 nan 0.000 0.476 309 I N 1.006 121.602 120.570 0.043 0.000 2.466 309 I HA 0.340 4.509 4.170 -0.001 0.000 0.289 309 I C 0.189 176.367 176.117 0.101 0.000 1.026 309 I CA -0.904 60.437 61.300 0.068 0.000 1.078 309 I CB 1.985 39.982 38.000 -0.005 0.000 1.249 309 I HN 0.654 nan 8.210 nan 0.000 0.429 310 H N 4.817 123.929 119.070 0.071 0.000 2.790 310 H HA 0.006 4.561 4.556 -0.001 0.000 0.358 310 H C 0.436 175.823 175.328 0.099 0.000 1.103 310 H CA 0.579 56.697 56.048 0.118 0.000 1.426 310 H CB 1.074 30.910 29.762 0.122 0.000 1.424 310 H HN 0.648 nan 8.280 nan 0.000 0.599 311 F N 5.172 124.903 119.950 -0.366 0.000 2.202 311 F HA -0.203 4.324 4.527 -0.001 0.000 0.301 311 F C 2.653 178.375 175.800 -0.129 0.000 1.082 311 F CA 1.747 59.611 58.000 -0.228 0.000 1.313 311 F CB -0.123 38.628 39.000 -0.414 0.000 1.024 311 F HN 0.661 nan 8.300 nan 0.000 0.495 312 R N -0.165 120.382 120.500 0.079 0.000 2.189 312 R HA -0.087 4.252 4.340 -0.001 0.000 0.223 312 R C 1.658 177.943 176.300 -0.024 0.000 1.092 312 R CA 1.711 57.822 56.100 0.019 0.000 0.989 312 R CB -1.051 29.482 30.300 0.388 0.000 0.876 312 R HN 0.315 nan 8.270 nan 0.000 0.457 313 V N 1.738 121.657 119.914 0.009 0.000 2.379 313 V HA -0.154 3.965 4.120 -0.001 0.000 0.245 313 V C 2.462 178.536 176.094 -0.033 0.000 1.044 313 V CA 1.338 63.653 62.300 0.024 0.000 1.036 313 V CB -0.337 31.498 31.823 0.020 0.000 0.664 313 V HN 0.264 nan 8.190 nan 0.000 0.453 314 L N 0.238 121.367 121.223 -0.155 0.000 2.093 314 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 314 L C 2.738 179.461 176.870 -0.246 0.000 1.085 314 L CA 1.457 56.240 54.840 -0.095 0.000 0.755 314 L CB -0.829 41.182 42.059 -0.081 0.000 0.904 314 L HN 0.359 nan 8.230 nan 0.000 0.435 315 A N 0.304 122.729 122.820 -0.659 0.000 1.877 315 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 315 A C 2.355 179.813 177.584 -0.210 0.000 1.186 315 A CA 1.601 53.318 52.037 -0.533 0.000 0.620 315 A CB -0.323 18.313 19.000 -0.606 0.000 0.822 315 A HN 0.293 nan 8.150 nan 0.000 0.443 316 K N -0.774 119.594 120.400 -0.053 0.000 2.026 316 K HA -0.160 4.159 4.320 -0.001 0.000 0.208 316 K C 2.096 178.646 176.600 -0.084 0.000 1.048 316 K CA 1.518 57.884 56.287 0.132 0.000 0.929 316 K CB -0.494 32.206 32.500 0.334 0.000 0.713 316 K HN 0.566 nan 8.250 nan 0.000 0.439 317 C N 1.108 120.346 119.300 -0.102 0.000 2.425 317 C HA -0.084 4.375 4.460 -0.001 0.000 0.277 317 C C 2.496 177.422 174.990 -0.106 0.000 1.280 317 C CA 0.309 59.199 59.018 -0.214 0.000 1.744 317 C CB -0.768 26.894 27.740 -0.130 0.000 1.989 317 C HN 0.487 nan 8.230 nan 0.000 0.491 318 L N 1.575 122.777 121.223 -0.034 0.000 2.056 318 L HA -0.096 4.243 4.340 -0.001 0.000 0.207 318 L C 2.727 179.466 176.870 -0.218 0.000 1.078 318 L CA 1.898 56.640 54.840 -0.165 0.000 0.749 318 L CB -0.995 40.718 42.059 -0.577 0.000 0.901 318 L HN 0.362 nan 8.230 nan 0.000 0.433 319 R N -0.181 120.163 120.500 -0.259 0.000 2.120 319 R HA -0.158 4.182 4.340 -0.001 0.000 0.234 319 R C 2.293 178.439 176.300 -0.258 0.000 1.123 319 R CA 1.413 57.324 56.100 -0.315 0.000 0.975 319 R CB -0.260 29.715 30.300 -0.542 0.000 0.866 319 R HN 0.424 nan 8.270 nan 0.000 0.446 320 L N -0.496 120.546 121.223 -0.301 0.000 2.023 320 L HA -0.084 4.256 4.340 -0.001 0.000 0.205 320 L C 2.617 179.373 176.870 -0.190 0.000 1.073 320 L CA 1.491 56.053 54.840 -0.463 0.000 0.745 320 L CB -0.648 40.718 42.059 -1.154 0.000 0.900 320 L HN 0.286 nan 8.230 nan 0.000 0.435 321 S N -0.816 114.830 115.700 -0.090 0.000 2.356 321 S HA 0.005 4.474 4.470 -0.001 0.000 0.223 321 S C 0.836 175.485 174.600 0.082 0.000 1.032 321 S CA 1.128 59.404 58.200 0.126 0.000 1.005 321 S CB -0.237 63.147 63.200 0.307 0.000 0.867 321 S HN 0.607 nan 8.310 nan 0.000 0.449 322 G N -1.573 107.220 108.800 -0.012 0.000 2.873 322 G HA2 0.427 4.386 3.960 -0.001 0.000 0.507 322 G HA3 0.427 4.386 3.960 -0.001 0.000 0.507 322 G C -0.386 174.462 174.900 -0.087 0.000 1.440 322 G CA -0.429 44.644 45.100 -0.045 0.000 1.016 322 G HN 0.956 nan 8.290 nan 0.000 0.615 323 G N 0.615 109.339 108.800 -0.127 0.000 2.733 323 G HA2 0.594 4.553 3.960 -0.001 0.000 0.297 323 G HA3 0.594 4.553 3.960 -0.001 0.000 0.297 323 G C -0.148 174.676 174.900 -0.127 0.000 1.452 323 G CA 0.135 45.146 45.100 -0.148 0.000 0.940 323 G HN 0.327 nan 8.290 nan 0.000 0.547 324 D N -0.227 120.104 120.400 -0.114 0.000 2.216 324 D HA 0.070 4.710 4.640 -0.001 0.000 0.208 324 D C 0.452 176.794 176.300 0.069 0.000 0.960 324 D CA 1.078 55.051 54.000 -0.044 0.000 0.861 324 D CB 0.284 41.052 40.800 -0.053 0.000 0.985 324 D HN 0.587 nan 8.370 nan 0.000 0.493 325 H N -0.771 118.189 119.070 -0.183 0.000 2.670 325 H HA 0.566 5.121 4.556 -0.001 0.000 0.361 325 H C -0.970 174.180 175.328 -0.298 0.000 1.169 325 H CA -1.087 54.832 56.048 -0.215 0.000 1.198 325 H CB 2.596 32.239 29.762 -0.198 0.000 1.700 325 H HN -0.119 nan 8.280 nan 0.000 0.542 326 L N 1.582 122.741 121.223 -0.106 0.000 2.505 326 L HA 0.199 4.538 4.340 -0.001 0.000 0.266 326 L C -0.883 175.959 176.870 -0.047 0.000 0.954 326 L CA -0.370 54.388 54.840 -0.137 0.000 0.852 326 L CB 1.488 43.463 42.059 -0.141 0.000 1.282 326 L HN 0.718 nan 8.230 nan 0.000 0.403 327 H N 2.694 121.625 119.070 -0.231 0.000 3.001 327 H HA 0.159 4.715 4.556 -0.001 0.000 0.334 327 H C 0.291 175.499 175.328 -0.200 0.000 1.034 327 H CA 0.851 56.762 56.048 -0.229 0.000 1.420 327 H CB 0.941 30.504 29.762 -0.332 0.000 1.405 327 H HN 0.773 nan 8.280 nan 0.000 0.593 328 S N 1.717 117.375 115.700 -0.069 0.000 2.666 328 S HA 0.305 4.774 4.470 -0.001 0.000 0.239 328 S C 0.977 175.639 174.600 0.103 0.000 1.031 328 S CA 0.036 58.308 58.200 0.121 0.000 1.015 328 S CB 1.133 64.497 63.200 0.273 0.000 0.981 328 S HN 1.093 nan 8.310 nan 0.000 0.547 329 G N 1.361 110.119 108.800 -0.070 0.000 2.756 329 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.678 329 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.678 329 G C 0.304 175.224 174.900 0.032 0.000 1.349 329 G CA 0.197 45.286 45.100 -0.019 0.000 0.847 329 G HN 0.987 nan 8.290 nan 0.000 0.548 330 T N -3.469 111.107 114.554 0.037 0.000 2.955 330 T HA 0.441 4.790 4.350 -0.001 0.000 0.251 330 T C 1.855 176.633 174.700 0.130 0.000 1.002 330 T CA 1.382 63.525 62.100 0.071 0.000 0.970 330 T CB 0.435 69.240 68.868 -0.106 0.000 1.091 330 T HN 2.267 nan 8.240 nan 0.000 0.495 331 V N 0.837 120.797 119.914 0.077 0.000 0.449 331 V HA -0.330 3.789 4.120 -0.001 0.000 0.092 331 V C 2.075 178.186 176.094 0.028 0.000 2.531 331 V CA 2.000 64.329 62.300 0.047 0.000 3.708 331 V CB -1.937 29.901 31.823 0.024 0.000 0.981 331 V HN 0.721 nan 8.190 nan 0.000 1.031 332 V N -1.513 118.390 119.914 -0.018 0.000 3.650 332 V HA 0.669 4.788 4.120 -0.001 0.000 0.271 332 V C 1.296 177.317 176.094 -0.122 0.000 1.281 332 V CA 1.343 63.614 62.300 -0.049 0.000 1.120 332 V CB 0.044 31.815 31.823 -0.086 0.000 0.856 332 V HN 0.868 nan 8.190 nan 0.000 0.443 333 G N 1.410 110.094 108.800 -0.193 0.000 2.531 333 G HA2 0.266 4.225 3.960 -0.001 0.000 0.253 333 G HA3 0.266 4.225 3.960 -0.001 0.000 0.253 333 G C 0.748 175.372 174.900 -0.461 0.000 1.439 333 G CA 0.066 44.983 45.100 -0.305 0.000 1.056 333 G HN 0.495 nan 8.290 nan 0.000 0.555 334 K N -1.195 118.711 120.400 -0.823 0.000 2.366 334 K HA 0.181 4.500 4.320 -0.001 0.000 0.198 334 K C 0.257 176.645 176.600 -0.353 0.000 1.044 334 K CA 0.379 56.096 56.287 -0.951 0.000 0.973 334 K CB -0.209 31.742 32.500 -0.915 0.000 0.767 334 K HN 0.210 nan 8.250 nan 0.000 0.475 335 L N 1.545 122.631 121.223 -0.230 0.000 2.330 335 L HA 0.335 4.674 4.340 -0.001 0.000 0.271 335 L C -0.160 176.679 176.870 -0.053 0.000 1.013 335 L CA -1.108 53.661 54.840 -0.118 0.000 0.816 335 L CB 1.842 43.847 42.059 -0.089 0.000 1.287 335 L HN 0.083 nan 8.230 nan 0.000 0.435 336 E N 0.579 120.766 120.200 -0.022 0.000 2.360 336 E HA 0.468 4.817 4.350 -0.001 0.000 0.269 336 E C -0.472 176.158 176.600 0.049 0.000 1.022 336 E CA -0.153 56.262 56.400 0.024 0.000 0.887 336 E CB 0.905 30.619 29.700 0.023 0.000 0.990 336 E HN 0.738 nan 8.360 nan 0.000 0.426 337 G N 3.717 112.562 108.800 0.075 0.000 2.552 337 G HA2 0.112 4.071 3.960 -0.001 0.000 0.288 337 G HA3 0.112 4.071 3.960 -0.001 0.000 0.288 337 G C -1.551 173.408 174.900 0.098 0.000 1.358 337 G CA -0.846 44.319 45.100 0.107 0.000 1.305 337 G HN 0.610 nan 8.290 nan 0.000 0.602 338 D N 1.569 122.044 120.400 0.125 0.000 2.351 338 D HA 0.217 4.856 4.640 -0.001 0.000 0.251 338 D C 1.477 177.798 176.300 0.034 0.000 1.137 338 D CA -0.324 53.734 54.000 0.095 0.000 0.879 338 D CB 1.540 42.424 40.800 0.140 0.000 1.181 338 D HN 0.352 nan 8.370 nan 0.000 0.448 339 K N 3.470 123.868 120.400 -0.003 0.000 2.026 339 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 339 K C 1.757 178.296 176.600 -0.102 0.000 1.048 339 K CA 1.587 57.833 56.287 -0.068 0.000 0.929 339 K CB -0.223 32.241 32.500 -0.061 0.000 0.713 339 K HN 0.457 nan 8.250 nan 0.000 0.439 340 A N 0.190 122.975 122.820 -0.059 0.000 1.877 340 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 340 A C 2.338 179.878 177.584 -0.073 0.000 1.186 340 A CA 2.125 54.123 52.037 -0.064 0.000 0.620 340 A CB -1.085 17.896 19.000 -0.033 0.000 0.822 340 A HN 0.402 nan 8.150 nan 0.000 0.443 341 S N -0.862 114.828 115.700 -0.017 0.000 2.359 341 S HA -0.145 4.324 4.470 -0.001 0.000 0.224 341 S C 2.123 176.572 174.600 -0.252 0.000 1.035 341 S CA 2.001 60.227 58.200 0.042 0.000 1.018 341 S CB -0.486 62.877 63.200 0.271 0.000 0.876 341 S HN 0.711 nan 8.310 nan 0.000 0.448 342 T N 2.615 116.906 114.554 -0.438 0.000 2.746 342 T HA 0.014 4.364 4.350 -0.001 0.000 0.267 342 T C 1.732 175.999 174.700 -0.721 0.000 1.039 342 T CA 1.053 62.565 62.100 -0.980 0.000 1.142 342 T CB -0.370 68.246 68.868 -0.420 0.000 0.866 342 T HN 0.276 nan 8.240 nan 0.000 0.444 343 L N 0.624 121.618 121.223 -0.381 0.000 2.131 343 L HA -0.031 4.308 4.340 -0.001 0.000 0.210 343 L C 2.942 179.710 176.870 -0.169 0.000 1.092 343 L CA 1.257 55.947 54.840 -0.250 0.000 0.759 343 L CB -0.970 40.978 42.059 -0.184 0.000 0.903 343 L HN 0.352 nan 8.230 nan 0.000 0.435 344 G N 1.026 109.732 108.800 -0.157 0.000 2.433 344 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.216 344 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.216 344 G C 1.274 176.230 174.900 0.094 0.000 1.186 344 G CA 0.966 46.053 45.100 -0.022 0.000 0.779 344 G HN 0.480 nan 8.290 nan 0.000 0.543 345 F N 0.459 120.500 119.950 0.152 0.000 2.615 345 F HA 0.311 4.837 4.527 -0.001 0.000 0.297 345 F C 2.091 177.984 175.800 0.155 0.000 1.124 345 F CA -0.238 57.868 58.000 0.177 0.000 1.451 345 F CB -0.756 38.396 39.000 0.253 0.000 1.103 345 F HN -0.016 nan 8.300 nan 0.000 0.569 346 V N 1.194 121.232 119.914 0.206 0.000 2.358 346 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 346 V C 2.072 178.247 176.094 0.134 0.000 1.047 346 V CA 2.268 64.689 62.300 0.202 0.000 1.035 346 V CB -0.638 31.249 31.823 0.107 0.000 0.658 346 V HN 0.227 nan 8.190 nan 0.000 0.452 347 D N 0.020 120.478 120.400 0.097 0.000 2.144 347 D HA -0.103 4.536 4.640 -0.001 0.000 0.199 347 D C 2.109 178.486 176.300 0.128 0.000 0.984 347 D CA 1.097 55.151 54.000 0.091 0.000 0.834 347 D CB -0.220 40.624 40.800 0.073 0.000 0.955 347 D HN 0.327 nan 8.370 nan 0.000 0.465 348 L N 0.470 121.809 121.223 0.194 0.000 2.131 348 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 348 L C 2.399 179.329 176.870 0.099 0.000 1.092 348 L CA 0.893 55.898 54.840 0.274 0.000 0.759 348 L CB -0.398 41.862 42.059 0.336 0.000 0.903 348 L HN 0.159 nan 8.230 nan 0.000 0.435 349 M N -2.628 116.988 119.600 0.027 0.000 2.502 349 M HA 0.053 4.532 4.480 -0.001 0.000 0.243 349 M C 1.908 178.083 176.300 -0.209 0.000 1.130 349 M CA 1.046 56.252 55.300 -0.155 0.000 1.055 349 M CB 0.157 32.731 32.600 -0.043 0.000 1.457 349 M HN -0.002 nan 8.290 nan 0.000 0.488 350 R N 0.420 120.855 120.500 -0.109 0.000 2.164 350 R HA 0.266 4.606 4.340 -0.001 0.000 0.198 350 R C 0.369 176.617 176.300 -0.087 0.000 1.028 350 R CA 0.204 56.254 56.100 -0.084 0.000 1.083 350 R CB 0.497 30.796 30.300 -0.001 0.000 1.026 350 R HN 0.335 nan 8.270 nan 0.000 0.514 351 E N 0.506 120.687 120.200 -0.032 0.000 2.322 351 E HA 0.001 4.350 4.350 -0.001 0.000 0.257 351 E C -0.076 176.580 176.600 0.093 0.000 1.155 351 E CA 0.156 56.584 56.400 0.047 0.000 0.936 351 E CB 1.058 30.820 29.700 0.104 0.000 1.130 351 E HN 0.012 nan 8.360 nan 0.000 0.465 352 D N -1.123 119.388 120.400 0.184 0.000 2.355 352 D HA -0.074 4.566 4.640 -0.001 0.000 0.206 352 D C -0.327 176.219 176.300 0.411 0.000 1.010 352 D CA 0.577 54.752 54.000 0.291 0.000 0.875 352 D CB 0.462 41.382 40.800 0.200 0.000 0.966 352 D HN 0.278 nan 8.370 nan 0.000 0.512 353 H N -0.252 118.952 119.070 0.223 0.000 3.017 353 H HA 0.367 4.922 4.556 -0.001 0.000 0.340 353 H C -1.682 173.735 175.328 0.148 0.000 1.014 353 H CA -0.636 55.510 56.048 0.164 0.000 1.341 353 H CB 0.544 30.366 29.762 0.099 0.000 1.739 353 H HN -0.135 nan 8.280 nan 0.000 0.506 354 I N 4.794 125.190 120.570 -0.289 0.000 2.439 354 I HA 0.123 4.293 4.170 -0.001 0.000 0.285 354 I C 0.185 176.151 176.117 -0.253 0.000 1.021 354 I CA -0.546 60.677 61.300 -0.128 0.000 1.091 354 I CB 1.608 39.642 38.000 0.056 0.000 1.242 354 I HN 0.390 nan 8.210 nan 0.000 0.439 355 E N 3.980 124.097 120.200 -0.139 0.000 2.392 355 E HA 0.333 4.682 4.350 -0.001 0.000 0.264 355 E C 0.148 176.728 176.600 -0.033 0.000 1.024 355 E CA -0.212 56.153 56.400 -0.058 0.000 0.903 355 E CB 1.141 30.869 29.700 0.047 0.000 0.963 355 E HN 0.665 nan 8.360 nan 0.000 0.432 356 A N 2.954 125.762 122.820 -0.021 0.000 2.565 356 A HA 0.025 4.344 4.320 -0.001 0.000 0.237 356 A C 0.116 177.660 177.584 -0.067 0.000 1.053 356 A CA 0.399 52.414 52.037 -0.036 0.000 0.755 356 A CB 0.113 19.095 19.000 -0.031 0.000 0.980 356 A HN 0.498 nan 8.150 nan 0.000 0.506 357 D N 1.032 121.367 120.400 -0.108 0.000 2.312 357 D HA 0.185 4.824 4.640 -0.001 0.000 0.229 357 D C 0.800 176.984 176.300 -0.194 0.000 1.337 357 D CA -0.528 53.400 54.000 -0.121 0.000 0.964 357 D CB 0.476 41.233 40.800 -0.072 0.000 1.456 357 D HN 0.389 nan 8.370 nan 0.000 0.547 358 R N 1.022 121.361 120.500 -0.268 0.000 2.189 358 R HA -0.046 4.293 4.340 -0.001 0.000 0.223 358 R C 1.726 177.872 176.300 -0.256 0.000 1.092 358 R CA 1.042 56.900 56.100 -0.404 0.000 0.989 358 R CB -0.383 29.653 30.300 -0.440 0.000 0.876 358 R HN 0.490 nan 8.270 nan 0.000 0.457 359 S N 0.180 115.785 115.700 -0.158 0.000 2.481 359 S HA -0.011 4.458 4.470 -0.001 0.000 0.231 359 S C 1.551 176.101 174.600 -0.083 0.000 0.996 359 S CA 0.475 58.614 58.200 -0.101 0.000 0.942 359 S CB 0.054 63.209 63.200 -0.075 0.000 0.768 359 S HN 0.251 nan 8.310 nan 0.000 0.520 360 R N 0.110 120.554 120.500 -0.093 0.000 2.543 360 R HA 0.317 4.657 4.340 -0.001 0.000 0.323 360 R C 1.143 177.412 176.300 -0.052 0.000 1.002 360 R CA 0.335 56.397 56.100 -0.063 0.000 1.106 360 R CB 0.504 30.771 30.300 -0.056 0.000 1.280 360 R HN 0.522 nan 8.270 nan 0.000 0.549 361 G N 1.062 109.796 108.800 -0.110 0.000 2.143 361 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.249 361 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.249 361 G C 0.121 175.004 174.900 -0.029 0.000 0.981 361 G CA 0.095 45.139 45.100 -0.093 0.000 0.665 361 G HN 0.143 nan 8.290 nan 0.000 0.528 362 V N 1.614 121.477 119.914 -0.084 0.000 2.339 362 V HA 0.455 4.575 4.120 -0.001 0.000 0.261 362 V C 1.372 177.398 176.094 -0.114 0.000 1.058 362 V CA -0.300 62.001 62.300 0.001 0.000 0.897 362 V CB 0.283 32.115 31.823 0.014 0.000 1.052 362 V HN 0.215 nan 8.190 nan 0.000 0.480 363 F N 3.398 123.197 119.950 -0.251 0.000 2.293 363 F HA 0.216 4.742 4.527 -0.001 0.000 0.297 363 F C 0.738 176.216 175.800 -0.537 0.000 1.089 363 F CA 0.852 58.562 58.000 -0.484 0.000 1.377 363 F CB -0.021 38.508 39.000 -0.785 0.000 1.051 363 F HN 0.311 nan 8.300 nan 0.000 0.511 364 F N -1.202 118.853 119.950 0.176 0.000 2.546 364 F HA 0.383 4.909 4.527 -0.002 0.000 0.320 364 F C 0.446 176.250 175.800 0.006 0.000 1.076 364 F CA -1.724 56.326 58.000 0.084 0.000 0.928 364 F CB 0.690 39.730 39.000 0.067 0.000 1.189 364 F HN -0.526 nan 8.300 nan 0.000 0.465 365 T N 1.916 116.568 114.554 0.165 0.000 2.853 365 T HA 0.221 4.570 4.350 -0.001 0.000 0.298 365 T C -0.376 174.300 174.700 -0.040 0.000 0.978 365 T CA -0.005 62.098 62.100 0.005 0.000 1.152 365 T CB 0.473 69.333 68.868 -0.013 0.000 0.914 365 T HN 0.419 nan 8.240 nan 0.000 0.539 366 Q N 2.843 122.564 119.800 -0.132 0.000 2.331 366 Q HA 0.329 4.668 4.340 -0.001 0.000 0.267 366 Q C -1.218 174.615 176.000 -0.278 0.000 1.006 366 Q CA -0.508 55.168 55.803 -0.211 0.000 0.818 366 Q CB 1.097 29.735 28.738 -0.168 0.000 1.276 366 Q HN 0.525 nan 8.270 nan 0.000 0.450 367 D N 2.692 122.918 120.400 -0.290 0.000 2.252 367 D HA 0.248 4.887 4.640 -0.001 0.000 0.245 367 D C -0.355 175.749 176.300 -0.327 0.000 1.009 367 D CA -0.168 53.751 54.000 -0.135 0.000 0.870 367 D CB 0.936 41.749 40.800 0.022 0.000 1.251 367 D HN 0.751 nan 8.370 nan 0.000 0.460 368 W N 0.309 121.639 121.300 0.050 0.000 2.714 368 W HA 0.300 4.959 4.660 -0.001 0.000 0.353 368 W C 0.960 177.494 176.519 0.025 0.000 0.999 368 W CA -0.322 57.034 57.345 0.020 0.000 1.629 368 W CB 0.398 29.861 29.460 0.005 0.000 1.106 368 W HN 0.579 nan 8.180 nan 0.000 0.545 369 A N 0.780 123.724 122.820 0.205 0.000 2.704 369 A HA -0.237 4.082 4.320 -0.001 0.000 0.299 369 A C 1.244 178.910 177.584 0.138 0.000 1.507 369 A CA 1.269 53.390 52.037 0.139 0.000 0.776 369 A CB -1.874 17.186 19.000 0.100 0.000 1.027 369 A HN 0.701 nan 8.150 nan 0.000 0.475 370 S N -3.384 112.407 115.700 0.153 0.000 3.361 370 S HA -0.256 4.213 4.470 -0.001 0.000 0.288 370 S C 0.325 174.978 174.600 0.089 0.000 1.269 370 S CA 1.358 59.622 58.200 0.107 0.000 0.976 370 S CB -1.961 61.284 63.200 0.075 0.000 1.162 370 S HN 1.816 nan 8.310 nan 0.000 0.643 371 M N 2.475 122.151 119.600 0.127 0.000 2.246 371 M HA 0.187 4.666 4.480 -0.001 0.000 0.350 371 M C -2.237 174.046 176.300 -0.029 0.000 1.406 371 M CA -1.239 54.102 55.300 0.069 0.000 1.089 371 M CB 0.396 33.080 32.600 0.140 0.000 1.782 371 M HN -0.135 nan 8.290 nan 0.000 0.457 372 P HA 0.062 nan 4.420 nan 0.000 0.267 372 P C -0.353 176.851 177.300 -0.161 0.000 1.201 372 P CA -0.013 63.043 63.100 -0.073 0.000 0.775 372 P CB 0.326 31.997 31.700 -0.049 0.000 0.854 373 G N 0.639 109.356 108.800 -0.138 0.000 2.562 373 G HA2 0.454 4.413 3.960 -0.001 0.000 0.275 373 G HA3 0.454 4.413 3.960 -0.001 0.000 0.275 373 G C -0.933 173.883 174.900 -0.141 0.000 1.196 373 G CA -0.424 44.563 45.100 -0.187 0.000 0.908 373 G HN 0.374 nan 8.290 nan 0.000 0.524 374 V N 0.911 120.732 119.914 -0.155 0.000 2.459 374 V HA 0.288 4.408 4.120 -0.001 0.000 0.295 374 V C 0.345 176.407 176.094 -0.054 0.000 1.029 374 V CA -0.669 61.569 62.300 -0.104 0.000 0.874 374 V CB 1.639 33.369 31.823 -0.155 0.000 0.985 374 V HN 0.567 nan 8.190 nan 0.000 0.438 375 L N 7.852 129.065 121.223 -0.017 0.000 2.418 375 L HA 0.258 4.598 4.340 -0.001 0.000 0.274 375 L C -1.915 174.900 176.870 -0.092 0.000 1.135 375 L CA -1.306 53.499 54.840 -0.059 0.000 0.870 375 L CB 1.230 43.209 42.059 -0.134 0.000 1.154 375 L HN 0.439 nan 8.230 nan 0.000 0.462 376 P HA 0.071 nan 4.420 nan 0.000 0.276 376 P C -0.883 176.260 177.300 -0.262 0.000 1.230 376 P CA -0.158 62.886 63.100 -0.094 0.000 0.776 376 P CB 1.351 33.066 31.700 0.025 0.000 0.888 377 V N 3.152 122.876 119.914 -0.316 0.000 2.350 377 V HA 0.485 4.604 4.120 -0.001 0.000 0.285 377 V C 0.461 176.225 176.094 -0.551 0.000 1.014 377 V CA -0.839 61.195 62.300 -0.443 0.000 0.831 377 V CB 1.232 32.775 31.823 -0.466 0.000 1.000 377 V HN 0.677 nan 8.190 nan 0.000 0.433 378 A N 3.878 126.322 122.820 -0.626 0.000 2.269 378 A HA 0.800 5.119 4.320 -0.001 0.000 0.302 378 A C 0.090 177.394 177.584 -0.467 0.000 1.266 378 A CA -0.174 51.504 52.037 -0.599 0.000 0.894 378 A CB 0.892 19.422 19.000 -0.783 0.000 1.147 378 A HN 0.823 nan 8.150 nan 0.000 0.537 379 S N 1.611 117.096 115.700 -0.358 0.000 2.533 379 S HA 0.751 5.220 4.470 -0.001 0.000 0.271 379 S C -0.516 173.969 174.600 -0.192 0.000 1.143 379 S CA 0.372 58.400 58.200 -0.288 0.000 0.891 379 S CB 1.332 64.413 63.200 -0.198 0.000 1.105 379 S HN 2.562 nan 8.310 nan 0.000 0.468 380 G N 1.722 110.400 108.800 -0.203 0.000 3.152 380 G HA2 0.449 4.408 3.960 -0.001 0.000 0.666 380 G HA3 0.449 4.408 3.960 -0.001 0.000 0.666 380 G C 0.817 175.565 174.900 -0.252 0.000 1.205 380 G CA 0.294 45.291 45.100 -0.172 0.000 1.178 380 G HN 2.121 nan 8.290 nan 0.000 0.510 381 G N 0.291 108.962 108.800 -0.215 0.000 2.160 381 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.251 381 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.251 381 G C 0.604 175.466 174.900 -0.063 0.000 1.008 381 G CA 0.982 45.938 45.100 -0.240 0.000 0.724 381 G HN 2.289 nan 8.290 nan 0.000 0.514 382 I N -1.965 118.553 120.570 -0.087 0.000 2.525 382 I HA 0.943 5.112 4.170 -0.001 0.000 0.301 382 I C 0.226 176.528 176.117 0.310 0.000 0.992 382 I CA -1.376 59.950 61.300 0.044 0.000 1.162 382 I CB 1.577 39.468 38.000 -0.181 0.000 1.332 382 I HN 0.303 nan 8.210 nan 0.000 0.458 383 H N 1.803 121.215 119.070 0.570 0.000 3.038 383 H HA 0.501 5.056 4.556 -0.001 0.000 0.289 383 H C 0.714 176.160 175.328 0.196 0.000 1.510 383 H CA -0.424 55.740 56.048 0.193 0.000 1.227 383 H CB 0.439 30.045 29.762 -0.261 0.000 1.880 383 H HN 0.325 nan 8.280 nan 0.000 0.594 384 V N -2.981 117.065 119.914 0.220 0.000 2.380 384 V HA -0.244 3.876 4.120 -0.001 0.000 0.251 384 V C 1.431 177.524 176.094 -0.002 0.000 1.063 384 V CA 1.807 64.086 62.300 -0.036 0.000 1.055 384 V CB -1.291 30.411 31.823 -0.201 0.000 0.657 384 V HN 0.780 nan 8.190 nan 0.000 0.455 385 W N -0.242 121.168 121.300 0.184 0.000 2.468 385 W HA -0.014 4.645 4.660 -0.001 0.000 0.262 385 W C 2.601 179.073 176.519 -0.078 0.000 1.241 385 W CA 1.181 58.542 57.345 0.028 0.000 1.232 385 W CB -0.454 29.043 29.460 0.062 0.000 1.124 385 W HN 0.355 nan 8.180 nan 0.000 0.597 386 H N -0.985 118.227 119.070 0.235 0.000 2.548 386 H HA 0.003 4.559 4.556 -0.001 0.000 0.268 386 H C 1.903 177.333 175.328 0.171 0.000 0.975 386 H CA 1.005 57.141 56.048 0.147 0.000 1.195 386 H CB -0.398 29.397 29.762 0.056 0.000 1.397 386 H HN 0.177 nan 8.280 nan 0.000 0.572 387 M N 1.696 121.449 119.600 0.255 0.000 2.082 387 M HA -0.082 4.397 4.480 -0.001 0.000 0.258 387 M C -0.915 175.488 176.300 0.172 0.000 1.069 387 M CA 1.606 57.029 55.300 0.205 0.000 1.102 387 M CB -0.866 31.787 32.600 0.089 0.000 1.336 387 M HN 0.065 nan 8.290 nan 0.000 0.404 388 P HA -0.016 nan 4.420 nan 0.000 0.217 388 P C 1.055 178.446 177.300 0.152 0.000 1.151 388 P CA 2.018 65.196 63.100 0.130 0.000 0.828 388 P CB -0.358 31.407 31.700 0.109 0.000 0.788 389 A N 0.157 123.086 122.820 0.181 0.000 1.898 389 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 389 A C 2.386 180.064 177.584 0.157 0.000 1.181 389 A CA 1.281 53.425 52.037 0.177 0.000 0.620 389 A CB -1.599 17.523 19.000 0.204 0.000 0.819 389 A HN 0.099 nan 8.150 nan 0.000 0.442 390 L N -0.504 120.846 121.223 0.212 0.000 2.046 390 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 390 L C 2.507 179.544 176.870 0.278 0.000 1.077 390 L CA 1.141 56.156 54.840 0.291 0.000 0.747 390 L CB -0.600 41.628 42.059 0.281 0.000 0.896 390 L HN 0.242 nan 8.230 nan 0.000 0.432 391 V N -0.105 119.927 119.914 0.197 0.000 2.427 391 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 391 V C 2.477 178.638 176.094 0.112 0.000 1.051 391 V CA 1.940 64.334 62.300 0.156 0.000 1.048 391 V CB -0.435 31.462 31.823 0.123 0.000 0.666 391 V HN 0.470 nan 8.190 nan 0.000 0.456 392 E N 0.615 120.870 120.200 0.091 0.000 2.051 392 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 392 E C 2.026 178.608 176.600 -0.029 0.000 0.991 392 E CA 1.867 58.295 56.400 0.047 0.000 0.799 392 E CB -0.274 29.468 29.700 0.070 0.000 0.748 392 E HN 0.591 nan 8.360 nan 0.000 0.449 393 I N -0.704 119.805 120.570 -0.101 0.000 2.233 393 I HA -0.178 3.992 4.170 -0.001 0.000 0.243 393 I C 1.568 177.415 176.117 -0.450 0.000 1.093 393 I CA 0.968 62.054 61.300 -0.357 0.000 1.380 393 I CB -0.130 37.501 38.000 -0.614 0.000 1.067 393 I HN 0.132 nan 8.210 nan 0.000 0.413 394 F N 0.404 120.356 119.950 0.003 0.000 2.656 394 F HA 0.334 4.861 4.527 -0.001 0.000 0.291 394 F C 1.598 177.402 175.800 0.007 0.000 1.122 394 F CA 0.549 58.547 58.000 -0.003 0.000 1.427 394 F CB -0.601 38.393 39.000 -0.010 0.000 1.125 394 F HN 0.146 nan 8.300 nan 0.000 0.583 395 G N 0.710 109.603 108.800 0.154 0.000 2.645 395 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.239 395 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.239 395 G C 0.308 175.279 174.900 0.119 0.000 1.331 395 G CA 0.111 45.276 45.100 0.109 0.000 0.890 395 G HN 0.146 nan 8.290 nan 0.000 0.572 396 D N 0.456 120.910 120.400 0.090 0.000 2.183 396 D HA 0.043 4.682 4.640 -0.001 0.000 0.203 396 D C 0.910 177.255 176.300 0.074 0.000 0.969 396 D CA 1.251 55.299 54.000 0.081 0.000 0.842 396 D CB -0.091 40.754 40.800 0.075 0.000 0.957 396 D HN 0.370 nan 8.370 nan 0.000 0.484 397 D N 0.759 121.203 120.400 0.074 0.000 2.619 397 D HA 0.172 4.811 4.640 -0.001 0.000 0.224 397 D C -0.090 176.233 176.300 0.039 0.000 1.133 397 D CA 0.069 54.102 54.000 0.054 0.000 1.017 397 D CB 0.015 40.848 40.800 0.054 0.000 1.077 397 D HN 0.011 nan 8.370 nan 0.000 0.503 398 S N -1.286 114.418 115.700 0.008 0.000 2.588 398 S HA 0.602 5.071 4.470 -0.001 0.000 0.269 398 S C -0.965 173.577 174.600 -0.098 0.000 1.157 398 S CA -0.901 57.259 58.200 -0.067 0.000 0.824 398 S CB 1.740 64.915 63.200 -0.041 0.000 1.126 398 S HN -0.087 nan 8.310 nan 0.000 0.464 399 V N 1.761 121.563 119.914 -0.187 0.000 2.448 399 V HA 0.523 4.642 4.120 -0.001 0.000 0.295 399 V C -0.764 175.217 176.094 -0.189 0.000 1.025 399 V CA -0.639 61.584 62.300 -0.127 0.000 0.859 399 V CB 1.197 32.926 31.823 -0.156 0.000 0.988 399 V HN 0.821 nan 8.190 nan 0.000 0.431 400 L N 5.047 126.211 121.223 -0.099 0.000 2.296 400 L HA 0.617 4.956 4.340 -0.001 0.000 0.286 400 L C -0.241 176.496 176.870 -0.222 0.000 1.023 400 L CA -0.402 54.323 54.840 -0.191 0.000 0.812 400 L CB 1.443 43.507 42.059 0.008 0.000 1.223 400 L HN 0.601 nan 8.230 nan 0.000 0.421 401 Q N 3.420 122.923 119.800 -0.496 0.000 2.333 401 Q HA 0.556 4.895 4.340 -0.001 0.000 0.267 401 Q C -1.580 174.034 176.000 -0.643 0.000 1.012 401 Q CA -0.527 55.059 55.803 -0.362 0.000 0.824 401 Q CB 2.769 31.381 28.738 -0.210 0.000 1.290 401 Q HN 0.410 nan 8.270 nan 0.000 0.449 402 F N 0.670 120.597 119.950 -0.038 0.000 2.513 402 F HA 0.359 4.886 4.527 -0.001 0.000 0.358 402 F C 0.830 176.613 175.800 -0.029 0.000 1.118 402 F CA -0.653 57.323 58.000 -0.041 0.000 1.037 402 F CB 1.399 40.377 39.000 -0.036 0.000 1.276 402 F HN 0.746 nan 8.300 nan 0.000 0.446 403 G N 1.569 110.411 108.800 0.070 0.000 2.655 403 G HA2 0.069 4.028 3.960 -0.001 0.000 0.217 403 G HA3 0.069 4.028 3.960 -0.001 0.000 0.217 403 G C 1.752 176.702 174.900 0.083 0.000 1.279 403 G CA 0.599 45.737 45.100 0.062 0.000 0.870 403 G HN 0.759 nan 8.290 nan 0.000 0.560 404 G N 0.599 109.439 108.800 0.067 0.000 2.462 404 G HA2 0.092 4.051 3.960 -0.001 0.000 0.220 404 G HA3 0.092 4.051 3.960 -0.001 0.000 0.220 404 G C 1.622 176.564 174.900 0.071 0.000 1.121 404 G CA 1.305 46.459 45.100 0.090 0.000 0.758 404 G HN 0.682 nan 8.290 nan 0.000 0.559 405 G N -0.782 108.009 108.800 -0.014 0.000 2.776 405 G HA2 0.169 4.129 3.960 -0.001 0.000 0.209 405 G HA3 0.169 4.129 3.960 -0.001 0.000 0.209 405 G C 1.387 176.356 174.900 0.115 0.000 1.145 405 G CA 1.444 46.441 45.100 -0.172 0.000 0.791 405 G HN 0.396 nan 8.290 nan 0.000 0.530 406 T N 0.175 114.840 114.554 0.186 0.000 3.114 406 T HA 0.097 4.446 4.350 -0.001 0.000 0.240 406 T C 1.993 176.814 174.700 0.203 0.000 0.983 406 T CA -0.078 62.127 62.100 0.174 0.000 1.151 406 T CB -0.022 68.909 68.868 0.105 0.000 0.974 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.523 122.845 121.223 0.166 0.000 2.465 407 L HA 0.260 4.600 4.340 -0.001 0.000 0.224 407 L C 2.260 179.252 176.870 0.203 0.000 1.145 407 L CA 0.915 55.842 54.840 0.145 0.000 0.834 407 L CB -0.315 41.798 42.059 0.091 0.000 0.944 407 L HN 0.367 nan 8.230 nan 0.000 0.451 408 G N -2.912 106.075 108.800 0.313 0.000 3.189 408 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.225 408 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.225 408 G C 0.543 175.642 174.900 0.331 0.000 1.159 408 G CA -0.301 45.025 45.100 0.377 0.000 0.763 408 G HN 0.277 nan 8.290 nan 0.000 0.549 409 H N 1.745 120.944 119.070 0.215 0.000 2.897 409 H HA 0.065 4.620 4.556 -0.001 0.000 0.347 409 H C -1.159 174.113 175.328 -0.093 0.000 1.068 409 H CA -0.972 55.050 56.048 -0.043 0.000 1.426 409 H CB 1.988 31.734 29.762 -0.026 0.000 1.410 409 H HN -0.003 nan 8.280 nan 0.000 0.597 410 P HA -0.130 nan 4.420 nan 0.000 0.222 410 P C 0.658 178.141 177.300 0.306 0.000 1.147 410 P CA 1.124 64.148 63.100 -0.126 0.000 0.790 410 P CB 0.102 31.623 31.700 -0.297 0.000 0.780 411 W N -0.041 121.417 121.300 0.263 0.000 3.127 411 W HA 0.504 5.163 4.660 -0.001 0.000 0.344 411 W C 1.144 177.729 176.519 0.110 0.000 1.151 411 W CA 0.438 57.889 57.345 0.177 0.000 1.765 411 W CB -0.577 28.986 29.460 0.173 0.000 1.085 411 W HN 0.043 nan 8.180 nan 0.000 0.596 412 G N 0.945 109.937 108.800 0.320 0.000 2.447 412 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.220 412 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.220 412 G C 0.620 175.570 174.900 0.083 0.000 1.261 412 G CA -0.066 45.133 45.100 0.165 0.000 1.000 412 G HN -0.025 nan 8.290 nan 0.000 0.515 413 N N 0.086 118.805 118.700 0.031 0.000 2.109 413 N HA 0.143 4.882 4.740 -0.001 0.000 0.188 413 N C 2.708 178.174 175.510 -0.074 0.000 1.034 413 N CA 2.578 55.620 53.050 -0.013 0.000 0.846 413 N CB -0.702 37.767 38.487 -0.029 0.000 1.010 413 N HN 1.058 nan 8.380 nan 0.000 0.425 414 A N 1.526 124.292 122.820 -0.090 0.000 1.902 414 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 414 A C -0.376 177.129 177.584 -0.132 0.000 1.181 414 A CA 1.327 53.294 52.037 -0.118 0.000 0.623 414 A CB -1.481 17.447 19.000 -0.119 0.000 0.818 414 A HN 0.248 nan 8.150 nan 0.000 0.443 415 P HA -0.061 nan 4.420 nan 0.000 0.219 415 P C 1.746 178.682 177.300 -0.607 0.000 1.150 415 P CA 1.689 64.616 63.100 -0.289 0.000 0.814 415 P CB -0.508 31.100 31.700 -0.154 0.000 0.787 416 G N 0.661 109.119 108.800 -0.570 0.000 2.440 416 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 416 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 416 G C 1.748 176.544 174.900 -0.173 0.000 1.154 416 G CA 1.095 45.997 45.100 -0.330 0.000 0.767 416 G HN 0.341 nan 8.290 nan 0.000 0.552 417 A N 0.083 122.815 122.820 -0.146 0.000 1.898 417 A HA 0.012 4.332 4.320 -0.001 0.000 0.216 417 A C 2.516 180.022 177.584 -0.131 0.000 1.181 417 A CA 2.375 54.344 52.037 -0.112 0.000 0.620 417 A CB -0.938 18.006 19.000 -0.093 0.000 0.819 417 A HN 0.278 nan 8.150 nan 0.000 0.442 418 T N 0.239 114.708 114.554 -0.143 0.000 2.746 418 T HA -0.028 4.321 4.350 -0.001 0.000 0.267 418 T C 2.205 176.814 174.700 -0.151 0.000 1.039 418 T CA 1.520 63.549 62.100 -0.119 0.000 1.142 418 T CB -0.443 68.370 68.868 -0.093 0.000 0.866 418 T HN 0.597 nan 8.240 nan 0.000 0.444 419 A N 2.002 124.701 122.820 -0.203 0.000 1.883 419 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 419 A C 2.126 179.580 177.584 -0.218 0.000 1.186 419 A CA 2.209 54.122 52.037 -0.205 0.000 0.624 419 A CB -0.930 17.981 19.000 -0.148 0.000 0.822 419 A HN 0.626 nan 8.150 nan 0.000 0.444 420 N N -1.338 117.217 118.700 -0.241 0.000 2.142 420 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 420 N C 1.962 177.341 175.510 -0.218 0.000 1.023 420 N CA 1.307 54.148 53.050 -0.348 0.000 0.852 420 N CB -0.140 38.050 38.487 -0.496 0.000 0.998 420 N HN 0.432 nan 8.380 nan 0.000 0.424 421 R N 1.118 121.534 120.500 -0.141 0.000 2.081 421 R HA -0.003 4.336 4.340 -0.001 0.000 0.235 421 R C 1.686 177.958 176.300 -0.047 0.000 1.131 421 R CA 1.056 57.112 56.100 -0.074 0.000 0.960 421 R CB -0.718 29.549 30.300 -0.054 0.000 0.856 421 R HN 0.029 nan 8.270 nan 0.000 0.436 422 V N 0.755 120.630 119.914 -0.066 0.000 2.307 422 V HA -0.168 3.951 4.120 -0.001 0.000 0.245 422 V C 2.347 178.399 176.094 -0.069 0.000 1.045 422 V CA 1.889 64.168 62.300 -0.035 0.000 1.024 422 V CB -0.932 30.810 31.823 -0.135 0.000 0.651 422 V HN 0.536 nan 8.190 nan 0.000 0.449 423 A N -0.190 122.543 122.820 -0.145 0.000 1.908 423 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 423 A C 2.175 179.720 177.584 -0.065 0.000 1.181 423 A CA 2.277 54.227 52.037 -0.146 0.000 0.627 423 A CB -0.580 18.295 19.000 -0.208 0.000 0.818 423 A HN 0.478 nan 8.150 nan 0.000 0.445 424 L N -0.067 121.127 121.223 -0.048 0.000 2.005 424 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 424 L C 2.225 179.114 176.870 0.031 0.000 1.072 424 L CA 2.445 57.290 54.840 0.009 0.000 0.744 424 L CB -0.607 41.464 42.059 0.020 0.000 0.895 424 L HN 0.494 nan 8.230 nan 0.000 0.433 425 E N -0.284 119.936 120.200 0.034 0.000 2.153 425 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 425 E C 2.131 178.774 176.600 0.072 0.000 0.988 425 E CA 0.999 57.433 56.400 0.056 0.000 0.811 425 E CB -0.275 29.465 29.700 0.067 0.000 0.746 425 E HN 0.678 nan 8.360 nan 0.000 0.466 426 A N 0.843 123.712 122.820 0.080 0.000 1.902 426 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 426 A C 2.424 180.046 177.584 0.063 0.000 1.181 426 A CA 1.151 53.244 52.037 0.094 0.000 0.623 426 A CB -0.756 18.293 19.000 0.081 0.000 0.818 426 A HN 0.335 nan 8.150 nan 0.000 0.443 427 C N -1.445 117.883 119.300 0.046 0.000 2.466 427 C HA -0.012 4.447 4.460 -0.001 0.000 0.278 427 C C 2.741 177.766 174.990 0.058 0.000 1.288 427 C CA 0.903 59.951 59.018 0.051 0.000 1.722 427 C CB -1.116 26.657 27.740 0.054 0.000 2.017 427 C HN 0.453 nan 8.230 nan 0.000 0.488 428 V N 0.650 120.598 119.914 0.058 0.000 2.358 428 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 428 V C 2.525 178.650 176.094 0.052 0.000 1.047 428 V CA 2.136 64.470 62.300 0.057 0.000 1.035 428 V CB -0.879 30.977 31.823 0.056 0.000 0.658 428 V HN 0.622 nan 8.190 nan 0.000 0.452 429 Q N -0.004 119.827 119.800 0.052 0.000 2.061 429 Q HA -0.240 4.099 4.340 -0.001 0.000 0.204 429 Q C 2.268 178.295 176.000 0.045 0.000 0.984 429 Q CA 2.202 58.032 55.803 0.046 0.000 0.846 429 Q CB -0.288 28.480 28.738 0.050 0.000 0.902 429 Q HN 0.620 nan 8.270 nan 0.000 0.421 430 A N 1.368 124.219 122.820 0.051 0.000 1.877 430 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 430 A C 2.157 179.769 177.584 0.046 0.000 1.186 430 A CA 1.569 53.635 52.037 0.048 0.000 0.620 430 A CB -0.773 18.258 19.000 0.052 0.000 0.822 430 A HN 0.455 nan 8.150 nan 0.000 0.443 431 R N -0.246 120.283 120.500 0.049 0.000 2.083 431 R HA -0.203 4.136 4.340 -0.001 0.000 0.237 431 R C 1.652 177.976 176.300 0.041 0.000 1.137 431 R CA 2.028 58.157 56.100 0.048 0.000 0.951 431 R CB -0.427 29.905 30.300 0.053 0.000 0.851 431 R HN 0.507 nan 8.270 nan 0.000 0.434 432 N N 0.840 119.563 118.700 0.039 0.000 2.289 432 N HA -0.137 4.603 4.740 -0.001 0.000 0.184 432 N C 1.099 176.626 175.510 0.028 0.000 1.016 432 N CA 1.231 54.300 53.050 0.033 0.000 0.872 432 N CB -0.065 38.441 38.487 0.032 0.000 0.973 432 N HN 0.449 nan 8.380 nan 0.000 0.433 433 E N -0.929 119.289 120.200 0.030 0.000 2.435 433 E HA 0.121 4.470 4.350 -0.001 0.000 0.195 433 E C 0.738 177.354 176.600 0.026 0.000 1.029 433 E CA 0.368 56.783 56.400 0.026 0.000 0.865 433 E CB 0.168 29.883 29.700 0.027 0.000 0.833 433 E HN 0.417 nan 8.360 nan 0.000 0.510 434 G N 1.537 110.355 108.800 0.030 0.000 2.168 434 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.197 434 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.197 434 G C 0.109 175.029 174.900 0.035 0.000 0.997 434 G CA -0.523 44.595 45.100 0.030 0.000 0.658 434 G HN 0.025 nan 8.290 nan 0.000 0.513 435 R N 0.691 121.214 120.500 0.039 0.000 2.543 435 R HA 0.324 4.663 4.340 -0.001 0.000 0.277 435 R C -0.616 175.715 176.300 0.053 0.000 1.074 435 R CA -0.348 55.778 56.100 0.043 0.000 1.076 435 R CB 0.681 31.007 30.300 0.044 0.000 0.993 435 R HN 0.247 nan 8.270 nan 0.000 0.459 436 D N 2.943 123.378 120.400 0.059 0.000 2.336 436 D HA 0.045 4.684 4.640 -0.001 0.000 0.249 436 D C 1.125 177.480 176.300 0.092 0.000 1.213 436 D CA -0.089 53.959 54.000 0.081 0.000 0.870 436 D CB 0.701 41.557 40.800 0.092 0.000 1.076 436 D HN 0.409 nan 8.370 nan 0.000 0.483 437 L N 3.594 124.879 121.223 0.102 0.000 2.131 437 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 437 L C 1.707 178.652 176.870 0.124 0.000 1.092 437 L CA 0.848 55.750 54.840 0.104 0.000 0.759 437 L CB -0.444 41.679 42.059 0.106 0.000 0.903 437 L HN 0.570 nan 8.230 nan 0.000 0.435 438 Y N 0.810 121.136 120.300 0.043 0.000 2.133 438 Y HA -0.239 4.310 4.550 -0.001 0.000 0.287 438 Y C 2.894 178.821 175.900 0.046 0.000 1.134 438 Y CA 1.715 59.841 58.100 0.044 0.000 1.133 438 Y CB -0.167 38.311 38.460 0.029 0.000 0.987 438 Y HN -0.020 nan 8.280 nan 0.000 0.502 439 R N 0.338 120.848 120.500 0.016 0.000 2.119 439 R HA -0.058 4.282 4.340 -0.001 0.000 0.222 439 R C 1.124 177.393 176.300 -0.051 0.000 1.088 439 R CA 1.749 57.815 56.100 -0.057 0.000 0.984 439 R CB -0.103 30.239 30.300 0.071 0.000 0.884 439 R HN 0.470 nan 8.270 nan 0.000 0.447 440 E N -1.034 119.166 120.200 -0.000 0.000 2.498 440 E HA 0.107 4.456 4.350 -0.001 0.000 0.203 440 E C 1.387 178.002 176.600 0.026 0.000 1.013 440 E CA 0.177 56.587 56.400 0.016 0.000 0.927 440 E CB 0.956 30.676 29.700 0.033 0.000 1.012 440 E HN 0.485 nan 8.360 nan 0.000 0.482 441 G N 1.627 110.441 108.800 0.023 0.000 2.446 441 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 441 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 441 G C 1.517 176.464 174.900 0.078 0.000 1.168 441 G CA 0.936 46.067 45.100 0.052 0.000 0.771 441 G HN 0.381 nan 8.290 nan 0.000 0.551 442 G N 0.662 109.531 108.800 0.115 0.000 2.440 442 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.218 442 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.218 442 G C 1.490 176.470 174.900 0.133 0.000 1.154 442 G CA 1.361 46.599 45.100 0.229 0.000 0.767 442 G HN 0.361 nan 8.290 nan 0.000 0.552 443 D N 0.684 121.128 120.400 0.074 0.000 2.097 443 D HA -0.058 4.581 4.640 -0.001 0.000 0.197 443 D C 2.589 178.905 176.300 0.026 0.000 0.984 443 D CA 0.482 54.511 54.000 0.048 0.000 0.826 443 D CB -0.203 40.620 40.800 0.038 0.000 0.973 443 D HN 0.364 nan 8.370 nan 0.000 0.460 444 I N 0.855 121.440 120.570 0.025 0.000 2.248 444 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 444 I C 2.458 178.556 176.117 -0.030 0.000 1.107 444 I CA 0.803 62.113 61.300 0.017 0.000 1.373 444 I CB -0.148 37.868 38.000 0.027 0.000 1.055 444 I HN -0.023 nan 8.210 nan 0.000 0.418 445 L N -0.285 120.892 121.223 -0.076 0.000 2.072 445 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 445 L C 2.761 179.493 176.870 -0.229 0.000 1.079 445 L CA 1.095 55.810 54.840 -0.208 0.000 0.752 445 L CB -0.437 41.409 42.059 -0.355 0.000 0.906 445 L HN 0.093 nan 8.230 nan 0.000 0.436 446 R N 0.356 120.778 120.500 -0.129 0.000 2.083 446 R HA -0.172 4.167 4.340 -0.001 0.000 0.237 446 R C 2.144 178.393 176.300 -0.084 0.000 1.137 446 R CA 1.398 57.447 56.100 -0.085 0.000 0.951 446 R CB -0.371 29.934 30.300 0.009 0.000 0.851 446 R HN 0.378 nan 8.270 nan 0.000 0.434 447 E N -0.345 119.833 120.200 -0.036 0.000 2.033 447 E HA -0.253 4.096 4.350 -0.001 0.000 0.199 447 E C 1.993 178.569 176.600 -0.040 0.000 1.011 447 E CA 1.537 57.950 56.400 0.020 0.000 0.815 447 E CB -0.269 29.477 29.700 0.077 0.000 0.755 447 E HN 0.430 nan 8.360 nan 0.000 0.451 448 A N 1.008 123.738 122.820 -0.150 0.000 1.972 448 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 448 A C 2.404 179.441 177.584 -0.911 0.000 1.169 448 A CA 1.539 53.256 52.037 -0.534 0.000 0.635 448 A CB -0.963 17.821 19.000 -0.361 0.000 0.810 448 A HN 0.368 nan 8.150 nan 0.000 0.446 449 G N -0.560 107.940 108.800 -0.500 0.000 2.470 449 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.220 449 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.220 449 G C 1.567 176.278 174.900 -0.315 0.000 1.121 449 G CA 1.252 46.103 45.100 -0.415 0.000 0.766 449 G HN 0.489 nan 8.290 nan 0.000 0.553 450 K N 0.157 120.416 120.400 -0.235 0.000 2.097 450 K HA -0.041 4.279 4.320 -0.001 0.000 0.206 450 K C 2.025 178.636 176.600 0.019 0.000 1.049 450 K CA 1.537 57.790 56.287 -0.057 0.000 0.933 450 K CB -0.193 32.341 32.500 0.057 0.000 0.717 450 K HN 0.758 nan 8.250 nan 0.000 0.442 451 W N -2.117 119.176 121.300 -0.012 0.000 3.103 451 W HA 0.426 5.085 4.660 -0.001 0.000 0.325 451 W C -0.097 176.421 176.519 -0.002 0.000 1.170 451 W CA -0.437 56.906 57.345 -0.004 0.000 1.712 451 W CB -0.103 29.353 29.460 -0.007 0.000 1.068 451 W HN -0.144 nan 8.180 nan 0.000 0.592 452 S N 2.923 118.327 115.700 -0.492 0.000 2.532 452 S HA 0.365 4.835 4.470 -0.001 0.000 0.318 452 S C -1.469 173.002 174.600 -0.215 0.000 1.083 452 S CA -1.326 56.651 58.200 -0.371 0.000 1.131 452 S CB 1.253 64.014 63.200 -0.732 0.000 0.973 452 S HN -0.303 nan 8.310 nan 0.000 0.468 453 P HA -0.151 nan 4.420 nan 0.000 0.216 453 P C 1.377 178.607 177.300 -0.117 0.000 1.150 453 P CA 1.022 64.153 63.100 0.051 0.000 0.837 453 P CB 0.136 32.005 31.700 0.283 0.000 0.786 454 E N -0.329 119.793 120.200 -0.131 0.000 2.152 454 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 454 E C 1.979 178.434 176.600 -0.242 0.000 0.983 454 E CA 0.838 57.035 56.400 -0.338 0.000 0.818 454 E CB -1.346 28.219 29.700 -0.225 0.000 0.758 454 E HN 0.214 nan 8.360 nan 0.000 0.467 455 L N 1.601 122.665 121.223 -0.265 0.000 2.056 455 L HA 0.053 4.392 4.340 -0.001 0.000 0.207 455 L C 2.439 179.121 176.870 -0.313 0.000 1.078 455 L CA 1.936 56.600 54.840 -0.294 0.000 0.749 455 L CB -0.828 41.001 42.059 -0.383 0.000 0.901 455 L HN 0.111 nan 8.230 nan 0.000 0.433 456 A N -0.246 122.395 122.820 -0.299 0.000 1.908 456 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 456 A C 2.468 179.882 177.584 -0.284 0.000 1.181 456 A CA 1.924 53.810 52.037 -0.253 0.000 0.627 456 A CB -1.221 17.675 19.000 -0.174 0.000 0.818 456 A HN 0.584 nan 8.150 nan 0.000 0.445 457 A N -0.312 122.269 122.820 -0.399 0.000 1.933 457 A HA 0.152 4.472 4.320 -0.001 0.000 0.218 457 A C 2.473 179.675 177.584 -0.636 0.000 1.175 457 A CA 2.132 53.823 52.037 -0.576 0.000 0.628 457 A CB -0.892 17.472 19.000 -1.061 0.000 0.814 457 A HN 1.033 nan 8.150 nan 0.000 0.444 458 A N -0.345 122.157 122.820 -0.530 0.000 1.897 458 A HA 0.067 4.386 4.320 -0.001 0.000 0.215 458 A C 2.144 179.574 177.584 -0.257 0.000 1.181 458 A CA 1.259 53.032 52.037 -0.440 0.000 0.620 458 A CB -0.568 18.397 19.000 -0.058 0.000 0.821 458 A HN 0.446 nan 8.150 nan 0.000 0.443 459 L N -0.334 120.735 121.223 -0.256 0.000 2.042 459 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 459 L C 2.166 179.141 176.870 0.175 0.000 1.076 459 L CA 1.567 56.298 54.840 -0.182 0.000 0.749 459 L CB -0.686 41.136 42.059 -0.396 0.000 0.893 459 L HN 0.334 nan 8.230 nan 0.000 0.432 460 D N -0.081 120.287 120.400 -0.053 0.000 2.097 460 D HA -0.188 4.451 4.640 -0.001 0.000 0.195 460 D C 2.092 178.300 176.300 -0.154 0.000 0.989 460 D CA 1.152 55.111 54.000 -0.069 0.000 0.827 460 D CB -0.116 40.598 40.800 -0.144 0.000 0.966 460 D HN 0.129 nan 8.370 nan 0.000 0.456 461 L N -0.349 120.649 121.223 -0.375 0.000 2.046 461 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 461 L C 1.289 177.871 176.870 -0.481 0.000 1.077 461 L CA 1.435 55.909 54.840 -0.610 0.000 0.747 461 L CB -0.301 41.041 42.059 -1.195 0.000 0.896 461 L HN 0.155 nan 8.230 nan 0.000 0.432 462 W N -0.461 120.771 121.300 -0.114 0.000 2.966 462 W HA 0.229 4.888 4.660 -0.001 0.000 0.406 462 W C 1.878 178.263 176.519 -0.223 0.000 1.027 462 W CA -0.458 56.725 57.345 -0.270 0.000 1.930 462 W CB -0.388 28.690 29.460 -0.638 0.000 1.144 462 W HN 0.255 nan 8.180 nan 0.000 0.626 463 K N 1.149 121.590 120.400 0.068 0.000 2.074 463 K HA -0.210 4.110 4.320 -0.001 0.000 0.209 463 K C 1.303 177.675 176.600 -0.380 0.000 1.048 463 K CA 1.577 57.694 56.287 -0.283 0.000 0.926 463 K CB 0.303 32.716 32.500 -0.145 0.000 0.713 463 K HN -0.110 nan 8.250 nan 0.000 0.444 464 E N 0.294 120.380 120.200 -0.190 0.000 2.478 464 E HA 0.014 4.363 4.350 -0.001 0.000 0.194 464 E C 0.085 176.606 176.600 -0.131 0.000 1.045 464 E CA 0.156 56.456 56.400 -0.166 0.000 0.868 464 E CB 0.324 29.955 29.700 -0.114 0.000 0.885 464 E HN 0.251 nan 8.360 nan 0.000 0.505 465 I N 2.150 122.675 120.570 -0.076 0.000 2.322 465 I HA 0.171 4.340 4.170 -0.001 0.000 0.292 465 I C 0.411 176.503 176.117 -0.042 0.000 1.060 465 I CA 0.020 61.289 61.300 -0.052 0.000 1.309 465 I CB 0.074 38.118 38.000 0.073 0.000 1.415 465 I HN -0.293 nan 8.210 nan 0.000 0.492 466 K N 5.562 125.795 120.400 -0.278 0.000 2.443 466 K HA 0.641 4.960 4.320 -0.001 0.000 0.251 466 K C -1.437 174.832 176.600 -0.550 0.000 0.972 466 K CA -0.629 55.522 56.287 -0.227 0.000 0.833 466 K CB 2.564 34.997 32.500 -0.112 0.000 1.317 466 K HN 0.158 nan 8.250 nan 0.000 0.441 467 F N 1.542 121.564 119.950 0.121 0.000 2.532 467 F HA 0.286 4.812 4.527 -0.001 0.000 0.365 467 F C -0.476 175.358 175.800 0.057 0.000 1.112 467 F CA -0.567 57.517 58.000 0.138 0.000 1.082 467 F CB 1.475 40.603 39.000 0.215 0.000 1.319 467 F HN 0.279 nan 8.300 nan 0.000 0.457 468 E N 4.041 124.171 120.200 -0.116 0.000 2.267 468 E HA 0.502 4.851 4.350 -0.001 0.000 0.248 468 E C -1.286 175.071 176.600 -0.405 0.000 0.899 468 E CA -0.403 55.914 56.400 -0.138 0.000 0.764 468 E CB 1.698 31.317 29.700 -0.135 0.000 1.227 468 E HN 0.317 nan 8.360 nan 0.000 0.421 469 F N 0.279 120.282 119.950 0.088 0.000 2.650 469 F HA 0.262 4.789 4.527 -0.001 0.000 0.320 469 F C 0.478 176.313 175.800 0.058 0.000 1.091 469 F CA -1.117 56.925 58.000 0.070 0.000 0.962 469 F CB 1.322 40.368 39.000 0.077 0.000 1.363 469 F HN 0.202 nan 8.300 nan 0.000 0.482 470 E N 0.794 121.153 120.200 0.265 0.000 2.376 470 E HA 0.130 4.479 4.350 -0.001 0.000 0.266 470 E C -0.846 175.839 176.600 0.143 0.000 1.009 470 E CA -0.087 56.408 56.400 0.158 0.000 0.902 470 E CB 0.713 30.487 29.700 0.123 0.000 0.972 470 E HN 0.534 nan 8.360 nan 0.000 0.439 471 T N 6.539 121.162 114.554 0.116 0.000 2.779 471 T HA 0.051 4.400 4.350 -0.001 0.000 0.296 471 T C 1.257 176.010 174.700 0.089 0.000 0.938 471 T CA -0.538 61.623 62.100 0.102 0.000 1.119 471 T CB 0.628 69.555 68.868 0.100 0.000 0.891 471 T HN 0.469 nan 8.240 nan 0.000 0.526 472 M N 1.673 121.320 119.600 0.078 0.000 2.236 472 M HA 0.047 4.527 4.480 -0.001 0.000 0.266 472 M C 1.195 177.550 176.300 0.091 0.000 1.070 472 M CA 0.877 56.220 55.300 0.071 0.000 1.137 472 M CB -0.884 31.746 32.600 0.050 0.000 1.378 472 M HN 0.468 nan 8.290 nan 0.000 0.426 473 D N 2.483 122.946 120.400 0.106 0.000 2.713 473 D HA 0.128 4.767 4.640 -0.001 0.000 0.229 473 D C -0.425 175.980 176.300 0.175 0.000 1.136 473 D CA 0.090 54.180 54.000 0.149 0.000 1.010 473 D CB -0.017 40.873 40.800 0.150 0.000 1.084 473 D HN 0.093 nan 8.370 nan 0.000 0.495 474 K N 1.191 121.678 120.400 0.145 0.000 2.185 474 K HA 0.276 4.595 4.320 -0.001 0.000 0.271 474 K C 0.708 177.402 176.600 0.157 0.000 1.013 474 K CA -0.736 55.631 56.287 0.133 0.000 0.943 474 K CB 1.586 34.145 32.500 0.098 0.000 0.998 474 K HN 0.241 nan 8.250 nan 0.000 0.468 475 L N 0.000 121.306 121.223 0.138 0.000 2.949 475 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 475 L CA 0.000 54.924 54.840 0.140 0.000 0.813 475 L CB 0.000 42.107 42.059 0.081 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502