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 2wvw_1_H DATA FIRST_RESID 9 DATA SEQUENCE SAAGYKAGVK DYKLTYYTPD YTPKDTDLLA AFRFSPQPGV PADEAGAAIA DATA SEQUENCE AESSTGTWTT VWTDLLTDMD RYKGKCYHIE PVQGEENSYF 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 0.445 123.281 122.820 0.027 0.000 2.515 10 A HA 0.610 4.939 4.320 0.015 0.000 0.263 10 A C 0.976 178.587 177.584 0.044 0.000 1.096 10 A CA 0.160 52.220 52.037 0.039 0.000 0.769 10 A CB -0.733 18.299 19.000 0.052 0.000 1.040 10 A HN 1.865 nan 8.150 nan 0.000 0.505 11 A N 3.135 125.982 122.820 0.045 0.000 2.476 11 A HA 0.530 4.859 4.320 0.015 0.000 0.263 11 A C 1.185 178.799 177.584 0.050 0.000 1.342 11 A CA 0.577 52.637 52.037 0.037 0.000 0.926 11 A CB -1.205 17.809 19.000 0.024 0.000 1.019 11 A HN 2.746 nan 8.150 nan 0.000 0.515 12 G N -1.148 107.696 108.800 0.073 0.000 2.879 12 G HA2 -0.102 3.867 3.960 0.015 0.000 0.686 12 G HA3 -0.102 3.867 3.960 0.015 0.000 0.686 12 G C -0.621 174.374 174.900 0.158 0.000 1.115 12 G CA -0.255 44.901 45.100 0.093 0.000 0.770 12 G HN 1.207 nan 8.290 nan 0.000 0.601 13 Y N 2.991 123.313 120.300 0.037 0.000 2.425 13 Y HA 0.596 5.156 4.550 0.016 0.000 0.347 13 Y C 0.581 176.496 175.900 0.025 0.000 0.976 13 Y CA -1.358 56.774 58.100 0.052 0.000 1.190 13 Y CB 0.755 39.273 38.460 0.097 0.000 1.136 13 Y HN 0.623 nan 8.280 nan 0.000 0.517 14 K N 5.310 125.579 120.400 -0.218 0.000 2.367 14 K HA 0.799 5.129 4.320 0.015 0.000 0.263 14 K C -0.503 175.785 176.600 -0.520 0.000 1.000 14 K CA -0.677 55.388 56.287 -0.370 0.000 0.891 14 K CB 1.265 33.671 32.500 -0.157 0.000 1.117 14 K HN 0.587 nan 8.250 nan 0.000 0.443 15 A N 2.782 125.126 122.820 -0.793 0.000 2.406 15 A HA 0.669 4.998 4.320 0.015 0.000 0.243 15 A C 0.710 178.159 177.584 -0.226 0.000 1.082 15 A CA 0.656 52.395 52.037 -0.498 0.000 0.786 15 A CB -0.308 18.461 19.000 -0.385 0.000 1.029 15 A HN 1.206 nan 8.150 nan 0.000 0.495 16 G N -1.352 107.358 108.800 -0.151 0.000 2.357 16 G HA2 0.331 4.300 3.960 0.015 0.000 0.643 16 G HA3 0.331 4.300 3.960 0.015 0.000 0.643 16 G C -0.943 173.881 174.900 -0.128 0.000 1.358 16 G CA -0.455 44.574 45.100 -0.119 0.000 0.986 16 G HN 1.436 nan 8.290 nan 0.000 0.620 17 V N 1.569 121.429 119.914 -0.091 0.000 2.488 17 V HA 0.440 4.569 4.120 0.015 0.000 0.277 17 V C 0.704 176.754 176.094 -0.074 0.000 1.046 17 V CA 0.110 62.359 62.300 -0.086 0.000 0.986 17 V CB 1.005 32.837 31.823 0.015 0.000 0.989 17 V HN 0.686 nan 8.190 nan 0.000 0.475 18 K N 2.471 122.807 120.400 -0.106 0.000 2.238 18 K HA 0.449 4.778 4.320 0.015 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 1.359 33.824 32.500 -0.058 0.000 1.154 18 K HN 0.524 nan 8.250 nan 0.000 0.439 19 D N 1.046 121.413 120.400 -0.056 0.000 2.455 19 D HA -0.028 4.622 4.640 0.015 0.000 0.241 19 D C 0.833 177.148 176.300 0.025 0.000 1.138 19 D CA 0.503 54.490 54.000 -0.022 0.000 0.877 19 D CB 0.360 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 4.338 4.550 0.015 0.000 0.289 20 Y C 2.299 178.311 175.900 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 0.286 120.845 120.400 0.265 0.000 2.442 21 K HA -0.076 4.253 4.320 0.015 0.000 0.198 21 K C 1.479 178.198 176.600 0.199 0.000 1.042 21 K CA 1.232 57.653 56.287 0.224 0.000 0.958 21 K CB -0.528 32.040 32.500 0.114 0.000 0.766 21 K HN 0.327 nan 8.250 nan 0.000 0.474 22 L N 1.059 122.365 121.223 0.137 0.000 2.201 22 L HA -0.085 4.264 4.340 0.015 0.000 0.212 22 L C 1.596 178.480 176.870 0.023 0.000 1.105 22 L CA 1.331 56.215 54.840 0.074 0.000 0.775 22 L CB -0.376 41.708 42.059 0.041 0.000 0.913 22 L HN 0.356 nan 8.230 nan 0.000 0.440 23 T N -2.950 111.607 114.554 0.006 0.000 3.018 23 T HA 0.029 4.388 4.350 0.015 0.000 0.246 23 T C 1.078 175.568 174.700 -0.351 0.000 1.026 23 T CA 0.420 62.377 62.100 -0.238 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 -0.523 119.817 120.300 0.067 0.000 2.445 24 Y HA 0.412 4.971 4.550 0.015 0.000 0.247 24 Y C 0.035 175.981 175.900 0.078 0.000 1.129 24 Y CA -1.282 56.837 58.100 0.032 0.000 1.251 24 Y CB 0.492 38.958 38.460 0.011 0.000 1.176 24 Y HN 0.157 nan 8.280 nan 0.000 0.522 25 Y N 2.301 122.655 120.300 0.091 0.000 2.404 25 Y HA 0.404 4.963 4.550 0.015 0.000 0.344 25 Y C 0.075 176.010 175.900 0.059 0.000 0.970 25 Y CA -1.375 56.763 58.100 0.063 0.000 1.180 25 Y CB 0.644 39.135 38.460 0.051 0.000 1.138 25 Y HN 0.043 nan 8.280 nan 0.000 0.510 26 T N 5.633 120.016 114.554 -0.284 0.000 3.504 26 T HA 0.257 4.616 4.350 0.015 0.000 0.286 26 T C -2.282 172.314 174.700 -0.174 0.000 1.530 26 T CA -1.646 60.333 62.100 -0.201 0.000 1.652 26 T CB 0.899 69.732 68.868 -0.060 0.000 0.895 26 T HN 0.465 nan 8.240 nan 0.000 0.674 27 P HA 0.032 nan 4.420 nan 0.000 0.228 27 P C 0.199 177.510 177.300 0.018 0.000 1.151 27 P CA 0.775 63.757 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 -2.104 118.299 120.400 0.006 0.000 2.340 28 D HA 0.030 4.679 4.640 0.015 0.000 0.217 28 D C 0.131 176.470 176.300 0.065 0.000 1.081 28 D CA -0.224 53.796 54.000 0.034 0.000 0.842 28 D CB -0.627 40.178 40.800 0.008 0.000 0.934 28 D HN 0.144 nan 8.370 nan 0.000 0.511 29 Y N 1.251 121.543 120.300 -0.013 0.000 2.377 29 Y HA 0.259 4.818 4.550 0.015 0.000 0.330 29 Y C -0.057 175.783 175.900 -0.101 0.000 1.108 29 Y CA -0.141 57.932 58.100 -0.046 0.000 1.308 29 Y CB 0.718 39.163 38.460 -0.025 0.000 1.216 29 Y HN -0.285 nan 8.280 nan 0.000 0.518 30 T N 9.404 123.465 114.554 -0.822 0.000 2.756 30 T HA 0.318 4.677 4.350 0.015 0.000 0.290 30 T C -2.611 171.427 174.700 -1.103 0.000 0.985 30 T CA -1.421 60.238 62.100 -0.735 0.000 0.955 30 T CB 0.940 69.562 68.868 -0.409 0.000 0.930 30 T HN 0.458 nan 8.240 nan 0.000 0.451 31 P HA 0.158 nan 4.420 nan 0.000 0.265 31 P C 0.006 177.108 177.300 -0.329 0.000 1.193 31 P CA -0.244 62.532 63.100 -0.539 0.000 0.765 31 P CB 0.594 32.035 31.700 -0.431 0.000 0.823 32 K N 1.871 122.171 120.400 -0.167 0.000 2.107 32 K HA 0.123 4.452 4.320 0.015 0.000 0.251 32 K C 0.683 177.245 176.600 -0.064 0.000 1.012 32 K CA -0.460 55.770 56.287 -0.096 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 0.595 120.965 120.400 -0.051 0.000 2.348 33 D HA -0.084 4.565 4.640 0.015 0.000 0.216 33 D C 1.388 177.676 176.300 -0.020 0.000 0.970 33 D CA 1.159 55.136 54.000 -0.039 0.000 0.889 33 D CB 0.092 40.874 40.800 -0.030 0.000 0.912 33 D HN 0.641 nan 8.370 nan 0.000 0.524 34 T N -2.494 112.061 114.554 0.001 0.000 3.081 34 T HA 0.028 4.387 4.350 0.015 0.000 0.250 34 T C 0.574 175.308 174.700 0.057 0.000 1.100 34 T CA -0.435 61.682 62.100 0.030 0.000 1.038 34 T CB 0.364 69.257 68.868 0.041 0.000 0.962 34 T HN -0.234 nan 8.240 nan 0.000 0.516 35 D N 2.157 122.586 120.400 0.048 0.000 2.382 35 D HA 0.207 4.856 4.640 0.015 0.000 0.245 35 D C -0.171 176.151 176.300 0.036 0.000 1.120 35 D CA -0.496 53.559 54.000 0.092 0.000 0.890 35 D CB 0.814 41.670 40.800 0.095 0.000 1.201 35 D HN 0.123 nan 8.370 nan 0.000 0.433 36 L N 3.613 124.895 121.223 0.097 0.000 2.290 36 L HA 0.333 4.682 4.340 0.015 0.000 0.284 36 L C -0.970 175.909 176.870 0.014 0.000 1.078 36 L CA -0.221 54.573 54.840 -0.077 0.000 0.815 36 L CB -0.007 41.928 42.059 -0.207 0.000 1.162 36 L HN 0.285 nan 8.230 nan 0.000 0.435 37 L N 5.101 126.179 121.223 -0.241 0.000 2.325 37 L HA 0.794 5.143 4.340 0.015 0.000 0.278 37 L C -0.027 176.671 176.870 -0.286 0.000 1.023 37 L CA -0.624 54.081 54.840 -0.224 0.000 0.811 37 L CB 1.619 43.300 42.059 -0.630 0.000 1.249 37 L HN 0.761 nan 8.230 nan 0.000 0.431 38 A N 1.989 124.870 122.820 0.103 0.000 2.393 38 A HA 0.874 5.203 4.320 0.015 0.000 0.306 38 A C -0.792 176.884 177.584 0.154 0.000 1.050 38 A CA -0.540 51.525 52.037 0.048 0.000 0.724 38 A CB 1.767 20.768 19.000 0.002 0.000 1.248 38 A HN 0.748 nan 8.150 nan 0.000 0.424 39 A N 1.813 124.583 122.820 -0.083 0.000 2.273 39 A HA 0.752 5.081 4.320 0.015 0.000 0.315 39 A C -1.066 176.212 177.584 -0.510 0.000 1.256 39 A CA -0.274 51.478 52.037 -0.476 0.000 0.851 39 A CB -0.082 18.353 19.000 -0.941 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 -0.215 0.000 2.450 40 F HA 0.579 5.115 4.527 0.015 0.000 0.332 40 F C 0.834 176.696 175.800 0.104 0.000 1.093 40 F CA -0.451 57.513 58.000 -0.060 0.000 1.003 40 F CB 1.719 40.683 39.000 -0.059 0.000 1.151 40 F HN 0.535 nan 8.300 nan 0.000 0.474 41 R N 4.081 124.766 120.500 0.308 0.000 2.295 41 R HA 0.518 4.867 4.340 0.015 0.000 0.324 41 R C -1.758 174.644 176.300 0.170 0.000 0.968 41 R CA -0.401 55.793 56.100 0.157 0.000 0.837 41 R CB 0.843 31.211 30.300 0.114 0.000 1.133 41 R HN 0.681 nan 8.270 nan 0.000 0.450 42 F N -0.117 119.811 119.950 -0.037 0.000 2.613 42 F HA 0.600 5.136 4.527 0.015 0.000 0.314 42 F C -1.323 174.494 175.800 0.028 0.000 1.075 42 F CA -0.954 57.027 58.000 -0.030 0.000 0.945 42 F CB 1.924 40.868 39.000 -0.094 0.000 1.310 42 F HN 0.138 nan 8.300 nan 0.000 0.467 43 S N 3.389 119.187 115.700 0.162 0.000 2.596 43 S HA 0.534 5.013 4.470 0.015 0.000 0.318 43 S C -2.850 171.890 174.600 0.233 0.000 1.097 43 S CA -1.242 57.029 58.200 0.117 0.000 1.080 43 S CB 1.599 64.830 63.200 0.052 0.000 0.991 43 S HN 0.506 nan 8.310 nan 0.000 0.471 44 P HA 0.132 nan 4.420 nan 0.000 0.274 44 P C -0.641 176.727 177.300 0.114 0.000 1.231 44 P CA -0.577 62.639 63.100 0.195 0.000 0.790 44 P CB 0.522 32.325 31.700 0.172 0.000 0.951 45 Q N 1.947 121.798 119.800 0.084 0.000 2.395 45 Q HA 0.122 4.471 4.340 0.015 0.000 0.271 45 Q C -1.794 174.236 176.000 0.050 0.000 1.026 45 Q CA -1.200 54.638 55.803 0.058 0.000 0.900 45 Q CB -0.657 28.108 28.738 0.046 0.000 1.266 45 Q HN 0.381 nan 8.270 nan 0.000 0.430 46 P HA -0.100 nan 4.420 nan 0.000 0.260 46 P C 0.578 177.894 177.300 0.027 0.000 1.172 46 P CA 1.175 64.294 63.100 0.032 0.000 0.760 46 P CB 0.190 31.903 31.700 0.023 0.000 0.773 47 G N 1.763 110.578 108.800 0.026 0.000 2.213 47 G HA2 -0.197 3.772 3.960 0.015 0.000 0.236 47 G HA3 -0.197 3.772 3.960 0.015 0.000 0.236 47 G C -0.121 174.791 174.900 0.020 0.000 0.991 47 G CA -0.152 44.960 45.100 0.020 0.000 0.629 47 G HN 0.536 nan 8.290 nan 0.000 0.517 48 V N 3.948 123.877 119.914 0.025 0.000 2.348 48 V HA 0.472 4.601 4.120 0.015 0.000 0.270 48 V C -1.276 174.815 176.094 -0.005 0.000 1.037 48 V CA -1.441 60.870 62.300 0.019 0.000 0.872 48 V CB 1.334 33.178 31.823 0.035 0.000 1.002 48 V HN 0.267 nan 8.190 nan 0.000 0.464 49 P HA 0.143 nan 4.420 nan 0.000 0.269 49 P C 0.679 177.894 177.300 -0.142 0.000 1.209 49 P CA -0.116 62.936 63.100 -0.080 0.000 0.776 49 P CB 1.263 32.917 31.700 -0.075 0.000 0.876 50 A N 3.271 125.936 122.820 -0.258 0.000 1.940 50 A HA -0.220 4.109 4.320 0.015 0.000 0.219 50 A C 1.680 179.109 177.584 -0.259 0.000 1.176 50 A CA 2.094 53.919 52.037 -0.354 0.000 0.631 50 A CB -1.171 17.244 19.000 -0.975 0.000 0.814 50 A HN 0.650 nan 8.150 nan 0.000 0.446 51 D N -0.296 119.888 120.400 -0.359 0.000 2.224 51 D HA -0.144 4.505 4.640 0.015 0.000 0.205 51 D C 1.611 177.661 176.300 -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 1.109 121.164 120.200 -0.242 0.000 2.107 52 E HA 0.029 4.389 4.350 0.015 0.000 0.191 52 E C 2.044 178.540 176.600 -0.174 0.000 0.982 52 E CA 1.493 57.822 56.400 -0.118 0.000 0.809 52 E CB -0.487 29.194 29.700 -0.032 0.000 0.756 52 E HN 0.232 nan 8.360 nan 0.000 0.459 53 A N 0.320 122.997 122.820 -0.239 0.000 1.902 53 A HA -0.024 4.306 4.320 0.015 0.000 0.217 53 A C 2.466 179.634 177.584 -0.694 0.000 1.181 53 A CA 1.738 53.538 52.037 -0.396 0.000 0.623 53 A CB -1.361 17.457 19.000 -0.303 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 0.025 3.994 3.960 0.015 0.000 0.218 54 G HA3 0.025 3.994 3.960 0.015 0.000 0.218 54 G C 1.706 176.361 174.900 -0.409 0.000 1.146 54 G CA 1.373 46.103 45.100 -0.616 0.000 0.769 54 G HN 0.790 nan 8.290 nan 0.000 0.547 55 A N 1.073 123.729 122.820 -0.275 0.000 1.930 55 A HA 0.339 4.669 4.320 0.015 0.000 0.217 55 A C 2.781 180.116 177.584 -0.415 0.000 1.175 55 A CA 2.034 53.988 52.037 -0.138 0.000 0.627 55 A CB -0.650 18.391 19.000 0.068 0.000 0.815 55 A HN 0.715 nan 8.150 nan 0.000 0.443 56 A N 0.032 122.470 122.820 -0.636 0.000 1.933 56 A HA -0.059 4.270 4.320 0.015 0.000 0.218 56 A C 2.090 178.994 177.584 -1.134 0.000 1.175 56 A CA 1.462 52.752 52.037 -1.244 0.000 0.628 56 A CB -0.573 17.827 19.000 -1.000 0.000 0.814 56 A HN 0.496 nan 8.150 nan 0.000 0.444 57 I N -0.242 119.793 120.570 -0.892 0.000 2.179 57 I HA -0.274 3.905 4.170 0.015 0.000 0.242 57 I C 2.980 178.732 176.117 -0.608 0.000 1.088 57 I CA 1.095 61.895 61.300 -0.833 0.000 1.357 57 I CB -0.366 37.065 38.000 -0.948 0.000 1.051 57 I HN 0.346 nan 8.210 nan 0.000 0.409 58 A N 0.728 123.251 122.820 -0.495 0.000 1.902 58 A HA -0.169 4.161 4.320 0.015 0.000 0.217 58 A C 2.527 179.833 177.584 -0.463 0.000 1.181 58 A CA 1.944 53.774 52.037 -0.345 0.000 0.623 58 A CB -0.838 18.040 19.000 -0.204 0.000 0.818 58 A HN 0.441 nan 8.150 nan 0.000 0.443 59 A N -0.429 121.894 122.820 -0.828 0.000 1.855 59 A HA -0.116 4.213 4.320 0.015 0.000 0.215 59 A C 1.816 179.033 177.584 -0.611 0.000 1.191 59 A CA 1.490 52.780 52.037 -1.244 0.000 0.613 59 A CB -0.392 17.829 19.000 -1.297 0.000 0.829 59 A HN 0.456 nan 8.150 nan 0.000 0.442 60 E N 0.399 120.263 120.200 -0.561 0.000 2.502 60 E HA -0.013 4.346 4.350 0.015 0.000 0.194 60 E C 1.208 177.707 176.600 -0.169 0.000 1.062 60 E CA 0.809 57.021 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 -1.101 114.518 115.700 -0.136 0.000 2.578 61 S HA 0.131 4.611 4.470 0.015 0.000 0.231 61 S C 1.408 176.101 174.600 0.155 0.000 0.994 61 S CA 0.195 58.424 58.200 0.047 0.000 0.956 61 S CB 0.357 63.643 63.200 0.144 0.000 0.870 61 S HN 0.138 nan 8.310 nan 0.000 0.494 62 S N 1.578 117.321 115.700 0.071 0.000 3.889 62 S HA 0.175 4.654 4.470 0.015 0.000 0.185 62 S C 1.377 176.002 174.600 0.042 0.000 0.937 62 S CA 0.607 58.873 58.200 0.110 0.000 0.985 62 S CB -0.244 63.058 63.200 0.170 0.000 1.299 62 S HN 0.518 nan 8.310 nan 0.000 0.673 63 T N -1.086 113.498 114.554 0.050 0.000 2.986 63 T HA 0.480 4.839 4.350 0.015 0.000 0.264 63 T C 0.782 175.529 174.700 0.080 0.000 0.964 63 T CA 0.357 62.505 62.100 0.079 0.000 0.895 63 T CB 0.178 69.145 68.868 0.166 0.000 1.163 63 T HN 0.700 nan 8.240 nan 0.000 0.517 64 G N 0.254 109.064 108.800 0.017 0.000 2.461 64 G HA2 0.579 4.549 3.960 0.015 0.000 0.329 64 G HA3 0.579 4.549 3.960 0.015 0.000 0.329 64 G C -0.900 174.059 174.900 0.100 0.000 1.170 64 G CA -0.283 44.859 45.100 0.070 0.000 0.935 64 G HN 0.277 nan 8.290 nan 0.000 0.492 65 T N -1.090 113.561 114.554 0.160 0.000 2.626 65 T HA 0.420 4.780 4.350 0.015 0.000 0.279 65 T C 0.539 175.378 174.700 0.232 0.000 0.983 65 T CA -0.421 61.819 62.100 0.233 0.000 1.059 65 T CB 0.783 69.739 68.868 0.148 0.000 1.396 65 T HN 0.684 nan 8.240 nan 0.000 0.519 66 W N 0.682 122.069 121.300 0.146 0.000 2.678 66 W HA 0.306 4.975 4.660 0.015 0.000 0.256 66 W C 0.307 176.790 176.519 -0.058 0.000 1.280 66 W CA 0.431 57.809 57.345 0.055 0.000 1.345 66 W CB -1.046 28.465 29.460 0.086 0.000 1.118 66 W HN 0.528 nan 8.180 nan 0.000 0.629 67 T N 0.900 114.984 114.554 -0.783 0.000 2.883 67 T HA 0.338 4.698 4.350 0.015 0.000 0.296 67 T C -0.506 173.960 174.700 -0.390 0.000 1.117 67 T CA -0.324 61.341 62.100 -0.725 0.000 1.006 67 T CB 1.883 69.957 68.868 -1.324 0.000 1.191 67 T HN -0.230 nan 8.240 nan 0.000 0.508 68 T N 2.584 117.008 114.554 -0.216 0.000 2.834 68 T HA 0.471 4.830 4.350 0.015 0.000 0.298 68 T C 0.139 174.882 174.700 0.072 0.000 0.966 68 T CA -0.369 61.707 62.100 -0.040 0.000 1.141 68 T CB 0.116 68.995 68.868 0.018 0.000 0.905 68 T HN 0.641 nan 8.240 nan 0.000 0.535 69 V N 2.765 122.701 119.914 0.037 0.000 2.715 69 V HA 0.524 4.653 4.120 0.015 0.000 0.310 69 V C 1.045 177.029 176.094 -0.183 0.000 1.054 69 V CA -1.174 61.096 62.300 -0.051 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 2.141 123.100 121.300 -0.569 0.000 2.519 70 W HA -0.053 4.616 4.660 0.015 0.000 0.266 70 W C 1.375 177.693 176.519 -0.335 0.000 1.253 70 W CA 1.273 58.136 57.345 -0.803 0.000 1.274 70 W CB -1.698 27.005 29.460 -1.263 0.000 1.114 70 W HN 0.756 nan 8.180 nan 0.000 0.596 71 T N -0.761 113.108 114.554 -1.142 0.000 2.962 71 T HA -0.211 4.148 4.350 0.015 0.000 0.270 71 T C 1.080 175.516 174.700 -0.441 0.000 1.088 71 T CA 1.598 63.070 62.100 -1.047 0.000 1.127 71 T CB -0.620 67.639 68.868 -1.015 0.000 0.883 71 T HN -0.110 nan 8.240 nan 0.000 0.493 72 D N 1.820 122.050 120.400 -0.284 0.000 2.172 72 D HA -0.058 4.591 4.640 0.015 0.000 0.196 72 D C 1.723 177.979 176.300 -0.072 0.000 0.999 72 D CA 0.874 54.797 54.000 -0.128 0.000 0.856 72 D CB -0.376 40.388 40.800 -0.060 0.000 0.934 72 D HN 0.417 nan 8.370 nan 0.000 0.453 73 L N -0.085 121.107 121.223 -0.052 0.000 2.554 73 L HA 0.061 4.410 4.340 0.015 0.000 0.226 73 L C 1.917 178.799 176.870 0.021 0.000 1.137 73 L CA 0.025 54.875 54.840 0.016 0.000 0.863 73 L CB -0.037 42.066 42.059 0.073 0.000 0.985 73 L HN 0.044 nan 8.230 nan 0.000 0.451 74 L N -1.220 119.987 121.223 -0.025 0.000 2.395 74 L HA 0.023 4.372 4.340 0.015 0.000 0.218 74 L C 1.253 178.119 176.870 -0.007 0.000 1.130 74 L CA 0.560 55.394 54.840 -0.010 0.000 0.826 74 L CB -0.071 41.950 42.059 -0.064 0.000 0.941 74 L HN 0.216 nan 8.230 nan 0.000 0.451 75 T N -2.173 112.377 114.554 -0.006 0.000 2.693 75 T HA 0.194 4.553 4.350 0.015 0.000 0.278 75 T C -1.429 173.316 174.700 0.075 0.000 0.994 75 T CA -0.588 61.538 62.100 0.044 0.000 1.033 75 T CB 1.882 70.763 68.868 0.022 0.000 1.342 75 T HN -0.146 nan 8.240 nan 0.000 0.538 76 D N 2.196 122.685 120.400 0.150 0.000 2.493 76 D HA 0.259 4.908 4.640 0.015 0.000 0.235 76 D C 1.271 177.631 176.300 0.100 0.000 1.117 76 D CA -0.420 53.626 54.000 0.078 0.000 0.930 76 D CB 0.281 41.089 40.800 0.013 0.000 1.010 76 D HN 0.306 nan 8.370 nan 0.000 0.514 77 M N 1.509 121.148 119.600 0.064 0.000 2.213 77 M HA -0.114 4.375 4.480 0.015 0.000 0.263 77 M C 1.062 177.352 176.300 -0.017 0.000 1.062 77 M CA 1.191 56.524 55.300 0.055 0.000 1.105 77 M CB -0.531 32.065 32.600 -0.008 0.000 1.385 77 M HN 0.347 nan 8.290 nan 0.000 0.417 78 D N -0.261 120.100 120.400 -0.066 0.000 2.178 78 D HA -0.176 4.473 4.640 0.015 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 0.002 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 -1.047 119.326 120.500 -0.212 0.000 2.148 79 R HA -0.101 4.248 4.340 0.015 0.000 0.223 79 R C 1.029 177.055 176.300 -0.457 0.000 1.088 79 R CA 1.199 57.061 56.100 -0.397 0.000 0.985 79 R CB -0.023 29.898 30.300 -0.631 0.000 0.880 79 R HN 0.261 nan 8.270 nan 0.000 0.451 80 Y N 0.528 120.802 120.300 -0.043 0.000 2.498 80 Y HA 0.185 4.744 4.550 0.015 0.000 0.259 80 Y C 0.101 175.990 175.900 -0.018 0.000 1.086 80 Y CA -0.252 57.827 58.100 -0.035 0.000 1.287 80 Y CB 0.225 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 1.070 121.528 120.400 0.097 0.000 2.326 81 K HA 0.385 4.714 4.320 0.015 0.000 0.275 81 K C 0.600 177.231 176.600 0.050 0.000 1.018 81 K CA -0.094 56.271 56.287 0.130 0.000 0.962 81 K CB 0.743 33.257 32.500 0.023 0.000 0.953 81 K HN 0.118 nan 8.250 nan 0.000 0.475 82 G N 2.239 111.092 108.800 0.089 0.000 2.491 82 G HA2 0.144 4.113 3.960 0.015 0.000 0.242 82 G HA3 0.144 4.113 3.960 0.015 0.000 0.242 82 G C -0.944 173.905 174.900 -0.085 0.000 1.266 82 G CA -0.724 44.274 45.100 -0.170 0.000 0.844 82 G HN 0.609 nan 8.290 nan 0.000 0.571 83 K N 1.238 121.513 120.400 -0.208 0.000 2.604 83 K HA 0.250 4.580 4.320 0.015 0.000 0.247 83 K C -0.857 175.777 176.600 0.057 0.000 0.956 83 K CA -0.595 55.622 56.287 -0.117 0.000 0.896 83 K CB 1.786 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 5.028 124.385 119.300 0.095 0.000 2.595 84 C HA 0.158 4.627 4.460 0.015 0.000 0.374 84 C C 1.076 176.202 174.990 0.227 0.000 1.250 84 C CA -0.343 58.767 59.018 0.152 0.000 1.595 84 C CB -1.503 26.333 27.740 0.161 0.000 2.257 84 C HN 0.959 nan 8.230 nan 0.000 0.568 85 Y N 2.670 123.113 120.300 0.239 0.000 2.444 85 Y HA 0.458 5.017 4.550 0.015 0.000 0.249 85 Y C 0.759 176.852 175.900 0.322 0.000 1.134 85 Y CA -0.189 58.044 58.100 0.222 0.000 1.261 85 Y CB -0.413 38.232 38.460 0.309 0.000 1.143 85 Y HN 0.768 nan 8.280 nan 0.000 0.523 86 H N 0.331 119.359 119.070 -0.071 0.000 3.086 86 H HA 0.538 5.103 4.556 0.015 0.000 0.353 86 H C -1.971 173.543 175.328 0.310 0.000 1.134 86 H CA -0.846 55.267 56.048 0.109 0.000 1.248 86 H CB 1.946 31.680 29.762 -0.048 0.000 1.878 86 H HN 0.136 nan 8.280 nan 0.000 0.527 87 I N 4.108 124.531 120.570 -0.244 0.000 2.582 87 I HA 0.230 4.410 4.170 0.015 0.000 0.292 87 I C -0.877 175.104 176.117 -0.227 0.000 1.066 87 I CA -0.590 60.680 61.300 -0.051 0.000 1.053 87 I CB 2.357 40.403 38.000 0.075 0.000 1.241 87 I HN 0.579 nan 8.210 nan 0.000 0.421 88 E N 6.934 127.187 120.200 0.090 0.000 2.308 88 E HA 0.520 4.879 4.350 0.015 0.000 0.275 88 E C -2.964 173.755 176.600 0.198 0.000 0.890 88 E CA -2.150 54.354 56.400 0.174 0.000 0.754 88 E CB 2.452 32.352 29.700 0.332 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 0.036 177.229 177.300 -0.178 0.000 1.205 89 P CA -0.364 62.619 63.100 -0.195 0.000 0.771 89 P CB 0.856 32.448 31.700 -0.180 0.000 0.858 90 V N 2.308 121.983 119.914 -0.399 0.000 2.446 90 V HA 0.161 4.290 4.120 0.015 0.000 0.276 90 V C 1.363 177.359 176.094 -0.164 0.000 1.030 90 V CA 0.191 62.310 62.300 -0.303 0.000 1.033 90 V CB -0.504 31.022 31.823 -0.496 0.000 0.993 90 V HN 0.733 nan 8.190 nan 0.000 0.477 91 Q N 3.660 123.438 119.800 -0.036 0.000 2.247 91 Q HA 0.411 4.760 4.340 0.015 0.000 0.288 91 Q C 1.416 177.389 176.000 -0.044 0.000 1.079 91 Q CA 0.555 56.342 55.803 -0.026 0.000 0.932 91 Q CB -0.198 28.551 28.738 0.020 0.000 1.133 91 Q HN 2.072 nan 8.270 nan 0.000 0.377 92 G N 1.334 110.098 108.800 -0.059 0.000 2.176 92 G HA2 -0.182 3.788 3.960 0.015 0.000 0.253 92 G HA3 -0.182 3.788 3.960 0.015 0.000 0.253 92 G C 0.008 174.864 174.900 -0.073 0.000 0.979 92 G CA 0.279 45.348 45.100 -0.052 0.000 0.641 92 G HN 0.823 nan 8.290 nan 0.000 0.530 93 E N 0.774 120.904 120.200 -0.117 0.000 2.224 93 E HA 0.409 4.768 4.350 0.015 0.000 0.265 93 E C -0.086 176.401 176.600 -0.189 0.000 0.878 93 E CA -0.733 55.584 56.400 -0.138 0.000 0.759 93 E CB 1.294 30.902 29.700 -0.154 0.000 1.164 93 E HN 0.628 nan 8.360 nan 0.000 0.414 94 E N 2.489 122.602 120.200 -0.145 0.000 2.344 94 E HA 0.079 4.438 4.350 0.015 0.000 0.270 94 E C -0.023 176.466 176.600 -0.186 0.000 1.021 94 E CA -0.548 55.764 56.400 -0.146 0.000 0.887 94 E CB 0.391 30.042 29.700 -0.083 0.000 0.997 94 E HN 0.495 nan 8.360 nan 0.000 0.429 95 N N 1.163 119.724 118.700 -0.232 0.000 2.740 95 N HA -0.214 4.535 4.740 0.015 0.000 0.248 95 N C -1.831 173.503 175.510 -0.293 0.000 1.062 95 N CA 1.184 54.130 53.050 -0.174 0.000 0.704 95 N CB -1.014 37.459 38.487 -0.024 0.000 0.968 95 N HN 0.481 nan 8.380 nan 0.000 0.547 96 S N 0.187 115.499 115.700 -0.646 0.000 2.557 96 S HA 0.745 5.225 4.470 0.015 0.000 0.291 96 S C -1.500 172.484 174.600 -1.026 0.000 1.116 96 S CA -0.501 57.328 58.200 -0.619 0.000 0.992 96 S CB 0.585 63.531 63.200 -0.424 0.000 1.028 96 S HN 0.262 nan 8.310 nan 0.000 0.484 97 Y N 1.952 121.767 120.300 -0.808 0.000 2.581 97 Y HA 0.630 5.190 4.550 0.015 0.000 0.345 97 Y C -0.824 174.629 175.900 -0.746 0.000 1.036 97 Y CA -1.129 56.494 58.100 -0.794 0.000 1.042 97 Y CB 0.953 38.852 38.460 -0.936 0.000 1.289 97 Y HN 0.526 nan 8.280 nan 0.000 0.471 98 F N 1.399 121.356 119.950 0.012 0.000 2.415 98 F HA 0.704 5.240 4.527 0.015 0.000 0.348 98 F C 0.242 176.128 175.800 0.144 0.000 1.119 98 F CA -1.084 56.937 58.000 0.035 0.000 1.069 98 F CB 1.188 40.236 39.000 0.081 0.000 1.124 98 F HN 0.503 nan 8.300 nan 0.000 0.472 99 A N 4.328 127.364 122.820 0.360 0.000 2.304 99 A HA 0.771 5.101 4.320 0.015 0.000 0.323 99 A C -1.395 176.189 177.584 0.000 0.000 1.195 99 A CA -0.428 51.775 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 2.078 122.081 119.950 0.089 0.000 2.427 100 F HA 0.601 5.138 4.527 0.015 0.000 0.346 100 F C 0.101 175.766 175.800 -0.226 0.000 1.120 100 F CA -0.416 57.566 58.000 -0.031 0.000 1.033 100 F CB 1.541 40.415 39.000 -0.211 0.000 1.126 100 F HN 0.323 nan 8.300 nan 0.000 0.462 101 I N 2.893 123.622 120.570 0.265 0.000 2.498 101 I HA 0.629 4.808 4.170 0.015 0.000 0.290 101 I C -0.529 175.785 176.117 0.327 0.000 1.032 101 I CA -0.998 60.436 61.300 0.224 0.000 1.073 101 I CB 1.967 40.027 38.000 0.101 0.000 1.251 101 I HN 0.651 nan 8.210 nan 0.000 0.426 102 A N 6.050 129.036 122.820 0.276 0.000 2.292 102 A HA 0.761 5.090 4.320 0.015 0.000 0.319 102 A C -1.518 175.995 177.584 -0.119 0.000 1.206 102 A CA -0.232 51.910 52.037 0.175 0.000 0.835 102 A CB 0.389 19.525 19.000 0.228 0.000 1.164 102 A HN 0.583 nan 8.150 nan 0.000 0.505 103 Y N 2.245 122.652 120.300 0.178 0.000 2.341 103 Y HA 0.440 5.000 4.550 0.016 0.000 0.338 103 Y C -2.314 173.715 175.900 0.215 0.000 0.965 103 Y CA -2.497 55.727 58.100 0.208 0.000 1.108 103 Y CB 1.625 40.325 38.460 0.400 0.000 1.180 103 Y HN 0.493 nan 8.280 nan 0.000 0.458 104 P HA -0.054 nan 4.420 nan 0.000 0.267 104 P C 0.785 178.240 177.300 0.257 0.000 1.200 104 P CA -0.140 63.064 63.100 0.175 0.000 0.772 104 P CB 0.895 32.633 31.700 0.064 0.000 0.855 105 L N 2.838 124.200 121.223 0.233 0.000 2.129 105 L HA -0.204 4.145 4.340 0.015 0.000 0.212 105 L C 1.295 178.303 176.870 0.230 0.000 1.087 105 L CA 2.068 57.078 54.840 0.284 0.000 0.757 105 L CB -1.035 41.126 42.059 0.170 0.000 0.896 105 L HN 0.265 nan 8.230 nan 0.000 0.434 106 D N -0.774 119.703 120.400 0.127 0.000 2.310 106 D HA -0.110 4.539 4.640 0.015 0.000 0.212 106 D C 2.142 178.445 176.300 0.005 0.000 0.965 106 D CA 0.873 54.938 54.000 0.108 0.000 0.879 106 D CB -0.056 40.859 40.800 0.193 0.000 0.921 106 D HN 0.399 nan 8.370 nan 0.000 0.510 107 L N -0.685 120.412 121.223 -0.210 0.000 2.478 107 L HA 0.024 4.373 4.340 0.015 0.000 0.223 107 L C 0.046 176.504 176.870 -0.687 0.000 1.140 107 L CA 0.377 54.896 54.840 -0.535 0.000 0.842 107 L CB -0.133 41.430 42.059 -0.826 0.000 0.953 107 L HN -0.112 nan 8.230 nan 0.000 0.452 108 F N -0.411 119.575 119.950 0.060 0.000 2.495 108 F HA 0.325 4.861 4.527 0.015 0.000 0.327 108 F C 0.592 176.405 175.800 0.021 0.000 1.103 108 F CA -1.371 56.654 58.000 0.041 0.000 0.949 108 F CB 1.055 40.091 39.000 0.061 0.000 1.142 108 F HN -0.187 nan 8.300 nan 0.000 0.457 109 E N 1.858 122.157 120.200 0.164 0.000 2.344 109 E HA 0.115 4.474 4.350 0.015 0.000 0.270 109 E C -0.736 175.878 176.600 0.023 0.000 1.021 109 E CA -0.492 55.948 56.400 0.066 0.000 0.887 109 E CB 0.565 30.284 29.700 0.032 0.000 0.997 109 E HN 0.525 nan 8.360 nan 0.000 0.429 110 E N 2.412 122.589 120.200 -0.039 0.000 2.465 110 E HA 0.163 4.522 4.350 0.015 0.000 0.260 110 E C 0.825 177.209 176.600 -0.360 0.000 0.980 110 E CA 1.294 57.599 56.400 -0.159 0.000 0.927 110 E CB 0.575 30.208 29.700 -0.112 0.000 0.934 110 E HN 0.801 nan 8.360 nan 0.000 0.459 111 G N 2.541 110.818 108.800 -0.872 0.000 2.153 111 G HA2 -0.316 3.653 3.960 0.015 0.000 0.252 111 G HA3 -0.316 3.653 3.960 0.015 0.000 0.252 111 G C 0.262 174.743 174.900 -0.697 0.000 0.994 111 G CA 0.418 44.756 45.100 -1.270 0.000 0.698 111 G HN 0.517 nan 8.290 nan 0.000 0.521 112 S N -0.603 114.898 115.700 -0.333 0.000 2.667 112 S HA 0.531 5.010 4.470 0.015 0.000 0.304 112 S C 1.412 176.138 174.600 0.209 0.000 1.135 112 S CA 0.082 58.302 58.200 0.034 0.000 1.125 112 S CB 1.332 64.544 63.200 0.021 0.000 0.996 112 S HN 0.542 nan 8.310 nan 0.000 0.474 113 V N 4.706 124.758 119.914 0.231 0.000 2.427 113 V HA -0.111 4.018 4.120 0.015 0.000 0.248 113 V C 2.522 178.534 176.094 -0.137 0.000 1.051 113 V CA 2.342 64.603 62.300 -0.064 0.000 1.048 113 V CB -0.933 30.614 31.823 -0.461 0.000 0.666 113 V HN 0.831 nan 8.190 nan 0.000 0.456 114 T N 0.162 114.697 114.554 -0.032 0.000 2.665 114 T HA -0.260 4.099 4.350 0.015 0.000 0.268 114 T C 1.915 176.643 174.700 0.048 0.000 1.035 114 T CA 1.991 64.111 62.100 0.034 0.000 1.151 114 T CB -0.472 68.454 68.868 0.096 0.000 0.862 114 T HN 0.572 nan 8.240 nan 0.000 0.438 115 N N 0.714 119.459 118.700 0.075 0.000 2.142 115 N HA -0.056 4.694 4.740 0.015 0.000 0.186 115 N C 2.003 177.605 175.510 0.155 0.000 1.023 115 N CA 1.025 54.138 53.050 0.105 0.000 0.852 115 N CB -0.162 38.396 38.487 0.118 0.000 0.998 115 N HN 0.373 nan 8.380 nan 0.000 0.424 116 I N 1.359 122.025 120.570 0.160 0.000 2.163 116 I HA -0.293 3.886 4.170 0.015 0.000 0.243 116 I C 2.322 178.469 176.117 0.050 0.000 1.085 116 I CA 0.987 62.364 61.300 0.129 0.000 1.347 116 I CB -0.256 37.745 38.000 0.002 0.000 1.044 116 I HN 0.170 nan 8.210 nan 0.000 0.408 117 L N -0.110 121.114 121.223 0.002 0.000 2.093 117 L HA -0.186 4.163 4.340 0.015 0.000 0.208 117 L C 2.622 179.514 176.870 0.037 0.000 1.085 117 L CA 1.436 56.273 54.840 -0.005 0.000 0.755 117 L CB -0.906 41.133 42.059 -0.033 0.000 0.904 117 L HN 0.279 nan 8.230 nan 0.000 0.435 118 T N -1.012 113.574 114.554 0.054 0.000 2.759 118 T HA -0.170 4.190 4.350 0.015 0.000 0.269 118 T C 2.156 176.898 174.700 0.070 0.000 1.042 118 T CA 1.670 63.806 62.100 0.061 0.000 1.140 118 T CB -0.050 68.853 68.868 0.059 0.000 0.864 118 T HN 0.265 nan 8.240 nan 0.000 0.455 119 S N 0.812 116.560 115.700 0.081 0.000 2.335 119 S HA 0.033 4.512 4.470 0.015 0.000 0.217 119 S C 2.062 176.706 174.600 0.074 0.000 1.032 119 S CA 0.631 58.874 58.200 0.071 0.000 0.985 119 S CB -0.224 63.025 63.200 0.082 0.000 0.896 119 S HN 0.301 nan 8.310 nan 0.000 0.445 120 I N 1.680 122.278 120.570 0.047 0.000 2.315 120 I HA -0.037 4.142 4.170 0.015 0.000 0.248 120 I C 1.889 178.188 176.117 0.302 0.000 1.117 120 I CA 1.267 62.624 61.300 0.095 0.000 1.404 120 I CB -1.260 36.713 38.000 -0.045 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.765 117.280 119.914 0.219 0.000 3.159 121 V HA 0.544 4.673 4.120 0.015 0.000 0.333 121 V C 1.682 177.870 176.094 0.158 0.000 1.424 121 V CA 0.345 62.812 62.300 0.277 0.000 1.125 121 V CB -0.318 31.512 31.823 0.011 0.000 1.075 121 V HN 0.186 nan 8.190 nan 0.000 0.482 122 G N 1.772 110.657 108.800 0.141 0.000 2.434 122 G HA2 -0.149 3.820 3.960 0.015 0.000 0.214 122 G HA3 -0.149 3.820 3.960 0.015 0.000 0.214 122 G C 1.177 176.156 174.900 0.131 0.000 1.202 122 G CA 1.356 46.519 45.100 0.103 0.000 0.788 122 G HN 0.547 nan 8.290 nan 0.000 0.539 123 N N -0.607 118.188 118.700 0.158 0.000 2.297 123 N HA 0.015 4.764 4.740 0.015 0.000 0.208 123 N C 2.177 177.829 175.510 0.237 0.000 1.176 123 N CA 0.828 53.987 53.050 0.181 0.000 0.882 123 N CB 0.564 39.148 38.487 0.163 0.000 1.134 123 N HN 0.278 nan 8.380 nan 0.000 0.489 124 V N -1.477 118.539 119.914 0.170 0.000 2.809 124 V HA 0.038 4.167 4.120 0.015 0.000 0.256 124 V C 1.617 177.732 176.094 0.035 0.000 1.080 124 V CA 1.097 63.385 62.300 -0.021 0.000 1.102 124 V CB -1.106 30.523 31.823 -0.325 0.000 0.705 124 V HN -0.091 nan 8.190 nan 0.000 0.475 125 F N 2.546 122.534 119.950 0.063 0.000 2.502 125 F HA 0.293 4.830 4.527 0.016 0.000 0.298 125 F C 2.299 178.222 175.800 0.204 0.000 1.111 125 F CA 1.185 59.257 58.000 0.119 0.000 1.445 125 F CB -0.544 38.516 39.000 0.100 0.000 1.081 125 F HN 0.344 nan 8.300 nan 0.000 0.558 126 G N -1.834 107.163 108.800 0.328 0.000 3.159 126 G HA2 0.014 3.983 3.960 0.015 0.000 0.232 126 G HA3 0.014 3.983 3.960 0.015 0.000 0.232 126 G C 0.080 175.074 174.900 0.157 0.000 1.116 126 G CA -0.221 45.011 45.100 0.220 0.000 0.767 126 G HN 0.031 nan 8.290 nan 0.000 0.547 127 F N 1.791 121.748 119.950 0.012 0.000 2.602 127 F HA 0.179 4.715 4.527 0.015 0.000 0.385 127 F C 1.794 177.584 175.800 -0.018 0.000 1.063 127 F CA 0.125 58.108 58.000 -0.028 0.000 1.233 127 F CB 0.974 39.918 39.000 -0.094 0.000 1.067 127 F HN -0.035 nan 8.300 nan 0.000 0.564 128 K N 3.164 123.472 120.400 -0.153 0.000 2.113 128 K HA -0.209 4.120 4.320 0.015 0.000 0.208 128 K C 1.933 178.542 176.600 0.015 0.000 1.047 128 K CA 1.470 57.713 56.287 -0.073 0.000 0.928 128 K CB -0.166 32.251 32.500 -0.138 0.000 0.716 128 K HN 0.720 nan 8.250 nan 0.000 0.446 129 A N 0.708 123.574 122.820 0.077 0.000 2.209 129 A HA -0.000 4.329 4.320 0.015 0.000 0.212 129 A C 0.627 178.269 177.584 0.098 0.000 1.158 129 A CA 0.596 52.697 52.037 0.107 0.000 0.742 129 A CB -0.008 19.096 19.000 0.174 0.000 0.790 129 A HN 0.057 nan 8.150 nan 0.000 0.472 130 I N -0.551 120.084 120.570 0.109 0.000 2.433 130 I HA 0.316 4.495 4.170 0.015 0.000 0.292 130 I C 0.929 177.104 176.117 0.098 0.000 1.001 130 I CA -0.384 60.968 61.300 0.088 0.000 1.119 130 I CB 1.504 39.521 38.000 0.028 0.000 1.289 130 I HN 0.246 nan 8.210 nan 0.000 0.438 131 R N 2.886 123.449 120.500 0.104 0.000 2.075 131 R HA 0.046 4.395 4.340 0.015 0.000 0.226 131 R C 0.253 176.624 176.300 0.120 0.000 1.114 131 R CA 0.823 56.976 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 -0.372 115.431 115.700 0.172 0.000 2.550 132 S HA 0.562 5.042 4.470 0.015 0.000 0.270 132 S C -1.395 173.342 174.600 0.228 0.000 1.145 132 S CA -1.078 57.308 58.200 0.309 0.000 0.852 132 S CB 2.221 65.567 63.200 0.243 0.000 1.119 132 S HN 0.042 nan 8.310 nan 0.000 0.465 133 L N 1.378 122.707 121.223 0.176 0.000 2.493 133 L HA 0.843 5.193 4.340 0.015 0.000 0.265 133 L C -1.076 175.704 176.870 -0.150 0.000 0.954 133 L CA -0.375 54.362 54.840 -0.172 0.000 0.844 133 L CB 2.193 43.837 42.059 -0.691 0.000 1.302 133 L HN 1.054 nan 8.230 nan 0.000 0.405 134 R N 4.140 124.681 120.500 0.069 0.000 2.514 134 R HA 0.652 5.001 4.340 0.015 0.000 0.296 134 R C -1.978 174.450 176.300 0.214 0.000 1.012 134 R CA -0.644 55.587 56.100 0.217 0.000 0.897 134 R CB 1.430 31.840 30.300 0.183 0.000 1.184 134 R HN 0.644 nan 8.270 nan 0.000 0.440 135 L N 4.138 125.514 121.223 0.255 0.000 2.369 135 L HA 0.308 4.657 4.340 0.015 0.000 0.279 135 L C 0.350 177.163 176.870 -0.095 0.000 1.108 135 L CA 0.653 55.442 54.840 -0.085 0.000 0.852 135 L CB 1.040 43.052 42.059 -0.077 0.000 1.169 135 L HN 0.822 nan 8.230 nan 0.000 0.452 136 E N 2.310 122.345 120.200 -0.276 0.000 2.166 136 E HA 0.122 4.481 4.350 0.015 0.000 0.192 136 E C -0.271 176.154 176.600 -0.291 0.000 0.967 136 E CA 0.458 56.666 56.400 -0.320 0.000 0.840 136 E CB 0.401 29.621 29.700 -0.801 0.000 0.795 136 E HN 0.686 nan 8.360 nan 0.000 0.470 137 D N -1.001 119.204 120.400 -0.324 0.000 2.663 137 D HA 0.384 5.033 4.640 0.015 0.000 0.233 137 D C -1.431 174.871 176.300 0.003 0.000 1.240 137 D CA -0.478 53.474 54.000 -0.079 0.000 0.774 137 D CB 1.623 42.416 40.800 -0.012 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.617 122.163 120.570 -0.040 0.000 2.499 138 I HA 0.353 4.532 4.170 0.015 0.000 0.288 138 I C -0.004 175.854 176.117 -0.431 0.000 1.048 138 I CA -0.834 60.247 61.300 -0.364 0.000 1.062 138 I CB 2.205 39.736 38.000 -0.783 0.000 1.238 138 I HN 0.097 nan 8.210 nan 0.000 0.426 139 R N 6.162 126.267 120.500 -0.658 0.000 2.210 139 R HA 0.366 4.715 4.340 0.015 0.000 0.338 139 R C -1.420 174.536 176.300 -0.572 0.000 1.062 139 R CA -0.420 55.357 56.100 -0.539 0.000 0.902 139 R CB 0.394 30.323 30.300 -0.618 0.000 1.050 139 R HN 0.339 nan 8.270 nan 0.000 0.461 140 F N 7.092 126.833 119.950 -0.347 0.000 2.444 140 F HA 0.260 4.797 4.527 0.016 0.000 0.360 140 F C -1.365 174.259 175.800 -0.294 0.000 1.106 140 F CA -2.072 55.721 58.000 -0.345 0.000 1.170 140 F CB 0.785 39.531 39.000 -0.424 0.000 1.113 140 F HN 0.408 nan 8.300 nan 0.000 0.521 141 P HA -0.008 nan 4.420 nan 0.000 0.269 141 P C 0.889 178.178 177.300 -0.018 0.000 1.209 141 P CA -0.022 63.051 63.100 -0.045 0.000 0.776 141 P CB 1.378 33.071 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 3.855 4.120 0.015 0.000 0.251 142 V C 2.580 178.695 176.094 0.035 0.000 1.064 142 V CA 2.740 65.037 62.300 -0.005 0.000 1.066 142 V CB -1.555 30.270 31.823 0.003 0.000 0.667 142 V HN 0.689 nan 8.190 nan 0.000 0.461 143 A N -0.698 122.145 122.820 0.039 0.000 2.015 143 A HA -0.140 4.189 4.320 0.015 0.000 0.219 143 A C 2.098 179.730 177.584 0.081 0.000 1.163 143 A CA 1.755 53.825 52.037 0.055 0.000 0.646 143 A CB -0.355 18.674 19.000 0.050 0.000 0.806 143 A HN 0.455 nan 8.150 nan 0.000 0.448 144 L N -0.650 120.635 121.223 0.103 0.000 2.162 144 L HA 0.040 4.389 4.340 0.015 0.000 0.205 144 L C 2.310 179.337 176.870 0.262 0.000 1.086 144 L CA 1.309 56.251 54.840 0.170 0.000 0.778 144 L CB -0.325 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 0.001 120.012 119.914 0.163 0.000 2.392 145 V HA -0.287 3.842 4.120 0.015 0.000 0.249 145 V C 2.443 178.679 176.094 0.236 0.000 1.059 145 V CA 1.607 63.996 62.300 0.149 0.000 1.051 145 V CB -0.769 31.060 31.823 0.010 0.000 0.658 145 V HN 0.411 nan 8.190 nan 0.000 0.455 146 K N 0.335 120.830 120.400 0.157 0.000 2.504 146 K HA -0.065 4.265 4.320 0.015 0.000 0.195 146 K C 2.018 178.675 176.600 0.095 0.000 1.036 146 K CA 1.453 57.812 56.287 0.119 0.000 0.984 146 K CB -0.292 32.253 32.500 0.076 0.000 0.788 146 K HN 0.737 nan 8.250 nan 0.000 0.488 147 T N -1.889 112.719 114.554 0.089 0.000 3.100 147 T HA 0.087 4.446 4.350 0.015 0.000 0.253 147 T C 0.511 175.093 174.700 -0.197 0.000 1.118 147 T CA -0.103 61.950 62.100 -0.077 0.000 1.058 147 T CB -0.182 68.580 68.868 -0.176 0.000 0.953 147 T HN -0.162 nan 8.240 nan 0.000 0.515 148 F N 1.272 121.218 119.950 -0.006 0.000 2.432 148 F HA 0.483 5.020 4.527 0.016 0.000 0.329 148 F C 1.648 177.442 175.800 -0.010 0.000 1.076 148 F CA -1.222 56.769 58.000 -0.015 0.000 1.018 148 F CB 1.794 40.772 39.000 -0.036 0.000 1.201 148 F HN -0.112 nan 8.300 nan 0.000 0.489 149 Q N 2.032 121.936 119.800 0.173 0.000 2.049 149 Q HA 0.208 4.557 4.340 0.015 0.000 0.198 149 Q C 1.054 177.092 176.000 0.064 0.000 0.971 149 Q CA 1.223 57.074 55.803 0.081 0.000 0.833 149 Q CB -0.107 28.653 28.738 0.038 0.000 0.896 149 Q HN 1.000 nan 8.270 nan 0.000 0.434 150 G N 0.350 109.194 108.800 0.074 0.000 2.632 150 G HA2 -0.240 3.729 3.960 0.015 0.000 0.224 150 G HA3 -0.240 3.729 3.960 0.015 0.000 0.224 150 G C -2.511 172.356 174.900 -0.056 0.000 1.341 150 G CA -0.421 44.673 45.100 -0.011 0.000 0.880 150 G HN 0.335 nan 8.290 nan 0.000 0.566 151 P HA 0.183 nan 4.420 nan 0.000 0.262 151 P C -1.684 175.531 177.300 -0.142 0.000 1.182 151 P CA -0.274 62.761 63.100 -0.108 0.000 0.761 151 P CB 0.391 32.028 31.700 -0.106 0.000 0.795 152 P HA -0.190 nan 4.420 nan 0.000 0.216 152 P C 0.763 177.597 177.300 -0.777 0.000 1.150 152 P CA 1.924 64.765 63.100 -0.431 0.000 0.843 152 P CB 0.016 31.488 31.700 -0.381 0.000 0.787 153 H N -3.745 115.305 119.070 -0.035 0.000 1.955 153 H HA 0.346 4.910 4.556 0.015 0.000 0.196 153 H C 1.220 176.537 175.328 -0.017 0.000 0.891 153 H CA 0.936 56.971 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 0.100 nan 8.280 nan 0.000 0.384 154 G N 1.236 110.091 108.800 0.092 0.000 2.756 154 G HA2 -0.210 3.760 3.960 0.015 0.000 0.678 154 G HA3 -0.210 3.760 3.960 0.015 0.000 0.678 154 G C 0.819 175.762 174.900 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 0.518 121.114 120.570 0.044 0.000 2.091 155 I HA -0.299 3.880 4.170 0.015 0.000 0.239 155 I C 3.041 179.203 176.117 0.075 0.000 1.061 155 I CA 2.822 64.157 61.300 0.058 0.000 1.317 155 I CB -0.409 37.612 38.000 0.036 0.000 1.031 155 I HN 0.838 nan 8.210 nan 0.000 0.401 156 Q N 0.649 120.493 119.800 0.073 0.000 2.119 156 Q HA -0.109 4.240 4.340 0.015 0.000 0.201 156 Q C 2.033 178.094 176.000 0.102 0.000 0.972 156 Q CA 1.587 57.447 55.803 0.094 0.000 0.847 156 Q CB -0.679 28.108 28.738 0.082 0.000 0.903 156 Q HN 0.308 nan 8.270 nan 0.000 0.433 157 V N 1.386 121.356 119.914 0.093 0.000 2.427 157 V HA -0.241 3.888 4.120 0.015 0.000 0.248 157 V C 2.360 178.497 176.094 0.072 0.000 1.051 157 V CA 2.077 64.435 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 0.547 nan 8.190 nan 0.000 0.456 158 E N 0.432 120.678 120.200 0.077 0.000 2.051 158 E HA -0.229 4.130 4.350 0.015 0.000 0.192 158 E C 2.461 179.072 176.600 0.020 0.000 0.991 158 E CA 1.233 57.662 56.400 0.049 0.000 0.799 158 E CB -0.058 29.706 29.700 0.106 0.000 0.748 158 E HN 0.525 nan 8.360 nan 0.000 0.449 159 R N 0.508 121.017 120.500 0.015 0.000 2.091 159 R HA -0.135 4.215 4.340 0.015 0.000 0.238 159 R C 1.898 178.061 176.300 -0.227 0.000 1.136 159 R CA 1.487 57.517 56.100 -0.117 0.000 0.959 159 R CB -0.319 29.971 30.300 -0.017 0.000 0.856 159 R HN 0.289 nan 8.270 nan 0.000 0.437 160 D N 0.933 121.338 120.400 0.008 0.000 2.144 160 D HA -0.089 4.560 4.640 0.015 0.000 0.200 160 D C 2.059 178.365 176.300 0.011 0.000 0.978 160 D CA 0.917 54.970 54.000 0.088 0.000 0.833 160 D CB -0.126 40.760 40.800 0.143 0.000 0.961 160 D HN 0.173 nan 8.370 nan 0.000 0.470 161 L N 0.016 121.230 121.223 -0.015 0.000 2.093 161 L HA -0.063 4.287 4.340 0.015 0.000 0.208 161 L C 2.159 179.004 176.870 -0.042 0.000 1.085 161 L CA 0.695 55.517 54.840 -0.030 0.000 0.755 161 L CB -0.093 41.927 42.059 -0.065 0.000 0.904 161 L HN 0.013 nan 8.230 nan 0.000 0.435 162 L N -1.312 119.867 121.223 -0.072 0.000 2.585 162 L HA 0.124 4.473 4.340 0.015 0.000 0.226 162 L C 0.337 177.116 176.870 -0.152 0.000 1.113 162 L CA -0.134 54.661 54.840 -0.076 0.000 0.876 162 L CB -0.071 41.971 42.059 -0.029 0.000 1.072 162 L HN 0.303 nan 8.230 nan 0.000 0.468 163 N N 1.278 119.831 118.700 -0.244 0.000 2.735 163 N HA -0.165 4.584 4.740 0.015 0.000 0.248 163 N C -0.243 175.003 175.510 -0.439 0.000 1.083 163 N CA 0.899 53.765 53.050 -0.306 0.000 0.703 163 N CB -0.737 37.704 38.487 -0.077 0.000 1.005 163 N HN 0.198 nan 8.380 nan 0.000 0.550 164 K N 0.989 121.004 120.400 -0.641 0.000 2.449 164 K HA 0.424 4.753 4.320 0.015 0.000 0.257 164 K C -1.091 175.220 176.600 -0.481 0.000 0.989 164 K CA -0.174 55.872 56.287 -0.401 0.000 0.916 164 K CB 0.552 32.916 32.500 -0.228 0.000 1.136 164 K HN 0.080 nan 8.250 nan 0.000 0.439 165 Y N -0.007 120.300 120.300 0.011 0.000 2.512 165 Y HA 0.515 5.074 4.550 0.015 0.000 0.348 165 Y C 1.233 177.142 175.900 0.015 0.000 0.990 165 Y CA -0.895 57.215 58.100 0.017 0.000 1.033 165 Y CB 2.613 41.083 38.460 0.015 0.000 1.259 165 Y HN 0.603 nan 8.280 nan 0.000 0.461 166 G N 1.290 110.204 108.800 0.190 0.000 2.176 166 G HA2 -0.116 3.853 3.960 0.015 0.000 0.232 166 G HA3 -0.116 3.853 3.960 0.015 0.000 0.232 166 G C -0.183 174.767 174.900 0.082 0.000 0.986 166 G CA 0.058 45.228 45.100 0.116 0.000 0.643 166 G HN 0.831 nan 8.290 nan 0.000 0.522 167 R N -0.865 119.680 120.500 0.075 0.000 2.741 167 R HA 0.538 4.887 4.340 0.015 0.000 0.276 167 R C -3.504 172.829 176.300 0.055 0.000 1.028 167 R CA -1.363 54.774 56.100 0.061 0.000 0.865 167 R CB -0.252 30.079 30.300 0.051 0.000 1.268 167 R HN 0.003 nan 8.270 nan 0.000 0.475 168 P HA 0.135 nan 4.420 nan 0.000 0.267 168 P C -0.238 177.086 177.300 0.039 0.000 1.200 168 P CA 0.158 63.289 63.100 0.053 0.000 0.772 168 P CB 0.380 32.123 31.700 0.071 0.000 0.855 169 M N 1.708 121.331 119.600 0.039 0.000 2.291 169 M HA 0.345 4.834 4.480 0.015 0.000 0.324 169 M C -0.074 176.272 176.300 0.077 0.000 1.148 169 M CA -0.304 55.019 55.300 0.039 0.000 1.104 169 M CB 0.520 33.186 32.600 0.109 0.000 1.483 169 M HN 0.131 nan 8.290 nan 0.000 0.467 170 L N 0.787 122.044 121.223 0.058 0.000 2.362 170 L HA 0.795 5.144 4.340 0.015 0.000 0.275 170 L C 0.111 177.065 176.870 0.141 0.000 0.998 170 L CA -0.514 54.395 54.840 0.115 0.000 0.820 170 L CB 1.910 44.018 42.059 0.082 0.000 1.270 170 L HN 0.838 nan 8.230 nan 0.000 0.415 171 G N 0.549 109.443 108.800 0.157 0.000 3.105 171 G HA2 0.651 4.620 3.960 0.015 0.000 0.277 171 G HA3 0.651 4.620 3.960 0.015 0.000 0.277 171 G C -1.847 173.081 174.900 0.048 0.000 1.375 171 G CA -0.535 44.624 45.100 0.099 0.000 0.962 171 G HN 0.691 nan 8.290 nan 0.000 0.541 172 C N -0.055 119.218 119.300 -0.045 0.000 3.135 172 C HA 0.600 5.069 4.460 0.015 0.000 0.428 172 C C -0.360 174.586 174.990 -0.073 0.000 0.972 172 C CA -0.502 58.504 59.018 -0.020 0.000 1.218 172 C CB 0.339 28.085 27.740 0.010 0.000 1.595 172 C HN 0.868 nan 8.230 nan 0.000 0.576 173 T N 7.177 121.713 114.554 -0.030 0.000 2.780 173 T HA 0.406 4.765 4.350 0.015 0.000 0.294 173 T C 0.541 175.236 174.700 -0.008 0.000 0.949 173 T CA -0.312 61.784 62.100 -0.008 0.000 1.074 173 T CB 0.402 69.301 68.868 0.053 0.000 0.910 173 T HN 0.581 nan 8.240 nan 0.000 0.501 174 I N 3.846 124.398 120.570 -0.030 0.000 2.648 174 I HA 0.209 4.388 4.170 0.015 0.000 0.284 174 I C 0.692 176.804 176.117 -0.008 0.000 1.153 174 I CA 0.080 61.316 61.300 -0.108 0.000 1.426 174 I CB -0.085 37.648 38.000 -0.446 0.000 1.381 174 I HN 0.466 nan 8.210 nan 0.000 0.571 175 K N 6.338 126.732 120.400 -0.011 0.000 2.443 175 K HA 0.564 4.893 4.320 0.015 0.000 0.251 175 K C -2.430 174.187 176.600 0.029 0.000 0.972 175 K CA -1.638 54.670 56.287 0.035 0.000 0.833 175 K CB 1.497 34.019 32.500 0.037 0.000 1.317 175 K HN 0.301 nan 8.250 nan 0.000 0.441 176 P HA 0.108 nan 4.420 nan 0.000 0.269 176 P C 0.257 177.596 177.300 0.065 0.000 1.217 176 P CA -0.093 63.028 63.100 0.034 0.000 0.783 176 P CB 0.829 32.528 31.700 -0.001 0.000 0.898 177 K N 0.238 120.671 120.400 0.055 0.000 2.044 177 K HA -0.081 4.249 4.320 0.015 0.000 0.210 177 K C 0.730 177.386 176.600 0.094 0.000 1.049 177 K CA 1.284 57.621 56.287 0.084 0.000 0.927 177 K CB -0.279 32.254 32.500 0.054 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 0.430 4.780 4.340 0.015 0.000 0.262 178 L C 0.605 177.166 176.870 -0.515 0.000 1.006 178 L CA -0.395 54.311 54.840 -0.223 0.000 0.818 178 L CB 2.374 44.333 42.059 -0.166 0.000 1.354 178 L HN 0.405 nan 8.230 nan 0.000 0.415 179 G N 1.295 109.401 108.800 -1.157 0.000 2.380 179 G HA2 -0.148 3.821 3.960 0.015 0.000 0.197 179 G HA3 -0.148 3.821 3.960 0.015 0.000 0.197 179 G C -0.186 174.524 174.900 -0.317 0.000 1.001 179 G CA -0.657 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 2.827 124.006 121.223 -0.073 0.000 2.371 180 L HA 0.543 4.892 4.340 0.015 0.000 0.272 180 L C 1.534 178.552 176.870 0.247 0.000 1.124 180 L CA -0.034 54.889 54.840 0.137 0.000 0.816 180 L CB 1.427 43.650 42.059 0.274 0.000 1.129 180 L HN 0.476 nan 8.230 nan 0.000 0.448 181 S N 1.982 117.779 115.700 0.161 0.000 2.608 181 S HA 0.248 4.727 4.470 0.015 0.000 0.261 181 S C 1.149 175.791 174.600 0.070 0.000 1.314 181 S CA -0.096 58.171 58.200 0.111 0.000 0.992 181 S CB 1.402 64.614 63.200 0.020 0.000 0.935 181 S HN 0.700 nan 8.310 nan 0.000 0.564 182 A N 1.331 124.137 122.820 -0.023 0.000 1.908 182 A HA -0.105 4.224 4.320 0.015 0.000 0.218 182 A C 2.121 179.551 177.584 -0.257 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 0.164 120.168 120.400 -0.660 0.000 2.057 183 K HA -0.113 4.216 4.320 0.015 0.000 0.206 183 K C 1.595 178.057 176.600 -0.229 0.000 1.050 183 K CA 1.857 57.671 56.287 -0.788 0.000 0.935 183 K CB -0.290 31.769 32.500 -0.735 0.000 0.715 183 K HN 0.396 nan 8.250 nan 0.000 0.439 184 N N -0.530 118.112 118.700 -0.096 0.000 2.331 184 N HA -0.123 4.626 4.740 0.015 0.000 0.180 184 N C 1.379 176.931 175.510 0.071 0.000 1.019 184 N CA 0.823 53.877 53.050 0.005 0.000 0.881 184 N CB -0.262 38.242 38.487 0.029 0.000 0.972 184 N HN 0.245 nan 8.380 nan 0.000 0.435 185 Y N 1.146 121.437 120.300 -0.016 0.000 2.133 185 Y HA -0.060 4.499 4.550 0.016 0.000 0.287 185 Y C 2.417 178.333 175.900 0.026 0.000 1.134 185 Y CA 1.789 59.908 58.100 0.032 0.000 1.133 185 Y CB -0.662 37.838 38.460 0.066 0.000 0.987 185 Y HN 0.058 nan 8.280 nan 0.000 0.502 186 G N -0.567 108.333 108.800 0.166 0.000 2.432 186 G HA2 -0.271 3.698 3.960 0.015 0.000 0.219 186 G HA3 -0.271 3.698 3.960 0.015 0.000 0.219 186 G C 1.796 176.760 174.900 0.106 0.000 1.135 186 G CA 0.763 45.939 45.100 0.127 0.000 0.767 186 G HN 0.310 nan 8.290 nan 0.000 0.550 187 R N 0.494 121.044 120.500 0.084 0.000 2.080 187 R HA -0.046 4.304 4.340 0.015 0.000 0.236 187 R C 2.879 179.229 176.300 0.084 0.000 1.137 187 R CA 1.600 57.767 56.100 0.111 0.000 0.943 187 R CB -0.433 29.907 30.300 0.066 0.000 0.846 187 R HN 0.276 nan 8.270 nan 0.000 0.431 188 A N 0.183 123.003 122.820 0.001 0.000 1.933 188 A HA -0.106 4.224 4.320 0.015 0.000 0.218 188 A C 2.283 179.831 177.584 -0.059 0.000 1.175 188 A CA 1.585 53.591 52.037 -0.051 0.000 0.628 188 A CB -0.496 18.430 19.000 -0.124 0.000 0.814 188 A HN 0.252 nan 8.150 nan 0.000 0.444 189 V N -1.200 118.682 119.914 -0.052 0.000 2.295 189 V HA -0.273 3.856 4.120 0.015 0.000 0.246 189 V C 2.370 178.484 176.094 0.033 0.000 1.049 189 V CA 2.126 64.419 62.300 -0.012 0.000 1.024 189 V CB -1.046 30.760 31.823 -0.030 0.000 0.648 189 V HN 0.742 nan 8.190 nan 0.000 0.447 190 Y N 1.553 121.843 120.300 -0.017 0.000 2.128 190 Y HA -0.233 4.326 4.550 0.015 0.000 0.284 190 Y C 2.550 178.448 175.900 -0.003 0.000 1.154 190 Y CA 1.978 60.077 58.100 -0.002 0.000 1.149 190 Y CB -0.396 38.071 38.460 0.011 0.000 0.976 190 Y HN 0.278 nan 8.280 nan 0.000 0.505 191 E N -0.533 119.447 120.200 -0.367 0.000 2.106 191 E HA -0.190 4.169 4.350 0.015 0.000 0.192 191 E C 2.494 178.934 176.600 -0.268 0.000 0.984 191 E CA 1.305 57.453 56.400 -0.419 0.000 0.806 191 E CB -0.865 28.727 29.700 -0.181 0.000 0.750 191 E HN 0.550 nan 8.360 nan 0.000 0.458 192 C N 0.668 119.872 119.300 -0.160 0.000 2.462 192 C HA -0.066 4.404 4.460 0.015 0.000 0.278 192 C C 2.862 177.784 174.990 -0.114 0.000 1.253 192 C CA 0.372 59.324 59.018 -0.110 0.000 1.713 192 C CB -1.109 26.593 27.740 -0.062 0.000 2.049 192 C HN 0.360 nan 8.230 nan 0.000 0.477 193 L N 1.192 122.354 121.223 -0.101 0.000 2.093 193 L HA -0.142 4.207 4.340 0.015 0.000 0.208 193 L C 2.904 179.714 176.870 -0.099 0.000 1.085 193 L CA 1.692 56.489 54.840 -0.071 0.000 0.755 193 L CB -0.738 41.315 42.059 -0.009 0.000 0.904 193 L HN 0.482 nan 8.230 nan 0.000 0.435 194 R N 0.469 120.858 120.500 -0.185 0.000 2.193 194 R HA -0.078 4.271 4.340 0.015 0.000 0.229 194 R C 1.876 178.097 176.300 -0.131 0.000 1.110 194 R CA 1.351 57.347 56.100 -0.174 0.000 0.988 194 R CB -0.699 29.378 30.300 -0.372 0.000 0.871 194 R HN 0.255 nan 8.270 nan 0.000 0.458 195 G N -0.704 108.010 108.800 -0.143 0.000 2.880 195 G HA2 0.261 4.230 3.960 0.015 0.000 0.209 195 G HA3 0.261 4.230 3.960 0.015 0.000 0.209 195 G C 0.897 175.744 174.900 -0.088 0.000 1.157 195 G CA 0.255 45.286 45.100 -0.114 0.000 0.779 195 G HN 0.590 nan 8.290 nan 0.000 0.539 196 G N -0.762 107.990 108.800 -0.081 0.000 2.273 196 G HA2 -0.172 3.797 3.960 0.015 0.000 0.162 196 G HA3 -0.172 3.797 3.960 0.015 0.000 0.162 196 G C 0.274 175.128 174.900 -0.076 0.000 1.006 196 G CA -0.334 44.725 45.100 -0.068 0.000 0.704 196 G HN 0.321 nan 8.290 nan 0.000 0.487 197 L N 1.399 122.575 121.223 -0.078 0.000 2.417 197 L HA 0.339 4.688 4.340 0.015 0.000 0.268 197 L C 1.125 177.919 176.870 -0.127 0.000 1.158 197 L CA -0.602 54.194 54.840 -0.073 0.000 0.819 197 L CB 0.592 42.626 42.059 -0.041 0.000 1.112 197 L HN 0.017 nan 8.230 nan 0.000 0.458 198 D N 1.537 121.811 120.400 -0.210 0.000 2.162 198 D HA 0.015 4.664 4.640 0.015 0.000 0.203 198 D C -0.111 175.865 176.300 -0.541 0.000 0.967 198 D CA 1.571 55.284 54.000 -0.477 0.000 0.840 198 D CB 0.269 40.612 40.800 -0.762 0.000 0.972 198 D HN 0.147 nan 8.370 nan 0.000 0.482 199 F N -0.077 119.835 119.950 -0.063 0.000 2.588 199 F HA 0.307 4.843 4.527 0.015 0.000 0.314 199 F C 0.620 176.271 175.800 -0.249 0.000 1.069 199 F CA -1.052 56.844 58.000 -0.172 0.000 0.931 199 F CB 1.781 40.626 39.000 -0.257 0.000 1.260 199 F HN -0.345 nan 8.300 nan 0.000 0.465 200 T N -1.114 113.384 114.554 -0.094 0.000 2.927 200 T HA 0.846 5.205 4.350 0.015 0.000 0.286 200 T C -1.090 173.157 174.700 -0.755 0.000 1.040 200 T CA -1.027 60.938 62.100 -0.225 0.000 1.010 200 T CB 2.530 71.437 68.868 0.066 0.000 1.177 200 T HN 0.760 nan 8.240 nan 0.000 0.546 201 K N -0.199 119.797 120.400 -0.673 0.000 2.546 201 K HA 0.463 4.792 4.320 0.015 0.000 0.264 201 K C -1.841 174.629 176.600 -0.216 0.000 0.937 201 K CA -0.897 54.924 56.287 -0.778 0.000 0.833 201 K CB 1.506 33.684 32.500 -0.537 0.000 1.378 201 K HN 0.385 nan 8.250 nan 0.000 0.432 202 D N 1.773 122.167 120.400 -0.009 0.000 2.423 202 D HA 0.022 4.672 4.640 0.015 0.000 0.238 202 D C -0.276 176.138 176.300 0.190 0.000 1.142 202 D CA 0.490 54.676 54.000 0.310 0.000 0.884 202 D CB 0.594 41.564 40.800 0.283 0.000 1.199 202 D HN 0.393 nan 8.370 nan 0.000 0.438 203 D N 1.063 121.597 120.400 0.223 0.000 2.382 203 D HA -0.075 4.574 4.640 0.015 0.000 0.240 203 D C 1.538 177.839 176.300 0.001 0.000 1.146 203 D CA -0.136 53.928 54.000 0.107 0.000 0.897 203 D CB 0.817 41.693 40.800 0.126 0.000 1.197 203 D HN 0.412 nan 8.370 nan 0.000 0.432 204 E N 2.289 122.372 120.200 -0.196 0.000 2.160 204 E HA -0.251 4.108 4.350 0.015 0.000 0.195 204 E C 0.671 177.176 176.600 -0.159 0.000 0.991 204 E CA 1.176 57.347 56.400 -0.383 0.000 0.810 204 E CB -0.312 28.787 29.700 -1.001 0.000 0.742 204 E HN 0.474 nan 8.360 nan 0.000 0.466 205 N N 0.948 119.607 118.700 -0.070 0.000 2.270 205 N HA 0.021 4.770 4.740 0.015 0.000 0.198 205 N C 0.268 175.813 175.510 0.059 0.000 1.117 205 N CA -0.167 52.879 53.050 -0.005 0.000 0.845 205 N CB 0.065 38.560 38.487 0.013 0.000 0.980 205 N HN 0.075 nan 8.380 nan 0.000 0.486 206 I N 1.929 122.547 120.570 0.080 0.000 2.347 206 I HA 0.135 4.315 4.170 0.015 0.000 0.294 206 I C 0.252 176.420 176.117 0.085 0.000 1.090 206 I CA 0.143 61.508 61.300 0.109 0.000 1.314 206 I CB -0.324 37.748 38.000 0.120 0.000 1.423 206 I HN 0.198 nan 8.210 nan 0.000 0.503 207 N N 3.363 122.098 118.700 0.058 0.000 3.189 207 N HA 0.143 4.892 4.740 0.015 0.000 0.204 207 N C -0.210 175.338 175.510 0.062 0.000 1.231 207 N CA -0.268 52.813 53.050 0.052 0.000 1.130 207 N CB 0.618 39.108 38.487 0.005 0.000 1.393 207 N HN 0.397 nan 8.380 nan 0.000 0.540 208 S N 0.225 115.929 115.700 0.007 0.000 2.649 208 S HA 0.433 4.912 4.470 0.015 0.000 0.274 208 S C -1.895 172.632 174.600 -0.123 0.000 1.176 208 S CA -0.411 57.792 58.200 0.004 0.000 0.988 208 S CB 1.246 64.551 63.200 0.175 0.000 1.071 208 S HN 0.253 nan 8.310 nan 0.000 0.478 209 Q N 3.248 122.859 119.800 -0.316 0.000 2.553 209 Q HA 0.489 4.839 4.340 0.015 0.000 0.293 209 Q C -2.115 173.591 176.000 -0.490 0.000 1.038 209 Q CA -1.790 53.751 55.803 -0.437 0.000 0.777 209 Q CB 1.738 30.051 28.738 -0.708 0.000 1.487 209 Q HN 0.273 nan 8.270 nan 0.000 0.426 210 P HA -0.172 nan 4.420 nan 0.000 0.216 210 P C 0.574 177.783 177.300 -0.152 0.000 1.150 210 P CA 1.385 64.392 63.100 -0.156 0.000 0.843 210 P CB 0.054 31.741 31.700 -0.021 0.000 0.787 211 F N -1.586 118.363 119.950 -0.002 0.000 2.558 211 F HA 0.174 4.711 4.527 0.017 0.000 0.298 211 F C 0.790 176.581 175.800 -0.014 0.000 1.119 211 F CA 0.153 58.151 58.000 -0.004 0.000 1.451 211 F CB -0.638 38.365 39.000 0.004 0.000 1.091 211 F HN -0.122 nan 8.300 nan 0.000 0.563 212 Q N 1.179 120.674 119.800 -0.508 0.000 2.605 212 Q HA 0.258 4.607 4.340 0.015 0.000 0.228 212 Q C -1.282 174.535 176.000 -0.304 0.000 0.805 212 Q CA -0.630 55.013 55.803 -0.267 0.000 0.894 212 Q CB 0.996 29.687 28.738 -0.079 0.000 1.469 212 Q HN 0.095 nan 8.270 nan 0.000 0.445 213 R N 2.397 122.780 120.500 -0.195 0.000 2.539 213 R HA 0.173 4.522 4.340 0.015 0.000 0.275 213 R C 1.181 177.384 176.300 -0.161 0.000 1.077 213 R CA -0.086 55.907 56.100 -0.179 0.000 1.097 213 R CB 0.192 30.361 30.300 -0.217 0.000 1.018 213 R HN 0.729 nan 8.270 nan 0.000 0.483 214 W N 4.231 125.431 121.300 -0.167 0.000 2.388 214 W HA -0.134 4.533 4.660 0.012 0.000 0.294 214 W C 1.108 177.481 176.519 -0.244 0.000 1.212 214 W CA 0.976 58.210 57.345 -0.185 0.000 1.271 214 W CB -0.371 28.911 29.460 -0.297 0.000 1.126 214 W HN 0.593 nan 8.180 nan 0.000 0.535 215 R N 1.338 120.979 120.500 -1.431 0.000 2.115 215 R HA -0.129 4.221 4.340 0.015 0.000 0.226 215 R C 1.765 177.830 176.300 -0.391 0.000 1.100 215 R CA 2.154 57.428 56.100 -1.376 0.000 0.980 215 R CB -0.519 28.676 30.300 -1.841 0.000 0.875 215 R HN -0.113 nan 8.270 nan 0.000 0.445 216 D N 0.348 120.596 120.400 -0.253 0.000 2.097 216 D HA -0.192 4.457 4.640 0.015 0.000 0.197 216 D C 1.793 178.271 176.300 0.297 0.000 0.984 216 D CA 1.063 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 0.277 nan 8.370 nan 0.000 0.460 217 R N 0.030 120.677 120.500 0.246 0.000 2.083 217 R HA -0.161 4.188 4.340 0.015 0.000 0.237 217 R C 2.233 178.799 176.300 0.443 0.000 1.137 217 R CA 1.050 57.349 56.100 0.331 0.000 0.951 217 R CB -0.396 30.048 30.300 0.240 0.000 0.851 217 R HN 0.064 nan 8.270 nan 0.000 0.434 218 F N 1.197 121.269 119.950 0.205 0.000 2.126 218 F HA -0.198 4.338 4.527 0.015 0.000 0.299 218 F C 2.365 178.229 175.800 0.107 0.000 1.096 218 F CA 0.846 58.974 58.000 0.213 0.000 1.255 218 F CB -0.760 38.492 39.000 0.419 0.000 0.997 218 F HN 0.068 nan 8.300 nan 0.000 0.479 219 L N -1.524 119.893 121.223 0.325 0.000 1.994 219 L HA -0.259 4.090 4.340 0.015 0.000 0.208 219 L C 2.469 179.295 176.870 -0.072 0.000 1.071 219 L CA 1.884 56.764 54.840 0.066 0.000 0.745 219 L CB -0.662 41.346 42.059 -0.084 0.000 0.892 219 L HN 0.068 nan 8.230 nan 0.000 0.431 220 F N -0.984 119.013 119.950 0.077 0.000 2.186 220 F HA -0.155 4.381 4.527 0.016 0.000 0.299 220 F C 2.410 178.210 175.800 -0.000 0.000 1.090 220 F CA 0.875 58.899 58.000 0.040 0.000 1.307 220 F CB -0.676 38.361 39.000 0.062 0.000 1.019 220 F HN -0.174 nan 8.300 nan 0.000 0.489 221 V N -0.205 119.803 119.914 0.157 0.000 2.427 221 V HA -0.285 3.844 4.120 0.015 0.000 0.248 221 V C 2.541 178.570 176.094 -0.108 0.000 1.051 221 V CA 1.676 63.958 62.300 -0.030 0.000 1.048 221 V CB -1.189 30.517 31.823 -0.195 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 -0.132 0.000 1.933 222 A HA -0.306 4.023 4.320 0.015 0.000 0.218 222 A C 2.020 179.320 177.584 -0.474 0.000 1.175 222 A CA 2.220 54.071 52.037 -0.311 0.000 0.628 222 A CB -0.667 18.186 19.000 -0.246 0.000 0.814 222 A HN 0.600 nan 8.150 nan 0.000 0.444 223 D N -0.459 119.818 120.400 -0.205 0.000 2.117 223 D HA -0.018 4.632 4.640 0.015 0.000 0.197 223 D C 2.068 178.325 176.300 -0.070 0.000 0.987 223 D CA 1.461 55.402 54.000 -0.098 0.000 0.829 223 D CB -0.147 40.640 40.800 -0.022 0.000 0.961 223 D HN 0.358 nan 8.370 nan 0.000 0.460 224 A N -0.023 122.779 122.820 -0.030 0.000 1.933 224 A HA -0.110 4.219 4.320 0.015 0.000 0.218 224 A C 2.306 179.933 177.584 0.072 0.000 1.175 224 A CA 0.952 53.022 52.037 0.055 0.000 0.628 224 A CB -0.704 18.359 19.000 0.106 0.000 0.814 224 A HN 0.358 nan 8.150 nan 0.000 0.444 225 I N -1.239 119.307 120.570 -0.041 0.000 2.252 225 I HA -0.258 3.921 4.170 0.015 0.000 0.245 225 I C 2.367 178.519 176.117 0.059 0.000 1.102 225 I CA 1.499 62.792 61.300 -0.013 0.000 1.385 225 I CB -0.495 37.455 38.000 -0.082 0.000 1.064 225 I HN 0.479 nan 8.210 nan 0.000 0.414 226 H N 0.132 119.226 119.070 0.040 0.000 2.357 226 H HA -0.175 4.390 4.556 0.014 0.000 0.301 226 H C 2.277 177.622 175.328 0.029 0.000 1.082 226 H CA 1.166 57.228 56.048 0.024 0.000 1.342 226 H CB 0.084 29.848 29.762 0.002 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 0.137 0.000 2.057 227 K HA -0.137 4.192 4.320 0.015 0.000 0.206 227 K C 2.454 179.162 176.600 0.180 0.000 1.050 227 K CA 1.528 57.857 56.287 0.069 0.000 0.935 227 K CB 0.074 32.484 32.500 -0.150 0.000 0.715 227 K HN 0.293 nan 8.250 nan 0.000 0.439 228 S N 0.181 116.042 115.700 0.269 0.000 2.406 228 S HA -0.195 4.285 4.470 0.015 0.000 0.228 228 S C 2.079 176.756 174.600 0.128 0.000 1.020 228 S CA 1.004 59.356 58.200 0.253 0.000 0.965 228 S CB -0.232 63.091 63.200 0.204 0.000 0.798 228 S HN 0.436 nan 8.310 nan 0.000 0.488 229 Q N 1.339 121.207 119.800 0.112 0.000 2.119 229 Q HA 0.050 4.400 4.340 0.015 0.000 0.201 229 Q C 2.219 178.258 176.000 0.065 0.000 0.972 229 Q CA 1.212 57.061 55.803 0.075 0.000 0.847 229 Q CB -0.537 28.253 28.738 0.087 0.000 0.903 229 Q HN 0.705 nan 8.270 nan 0.000 0.433 230 A N 0.643 123.510 122.820 0.078 0.000 1.930 230 A HA -0.187 4.142 4.320 0.015 0.000 0.217 230 A C 1.730 179.347 177.584 0.054 0.000 1.175 230 A CA 1.517 53.587 52.037 0.055 0.000 0.627 230 A CB -0.369 18.662 19.000 0.051 0.000 0.815 230 A HN 0.506 nan 8.150 nan 0.000 0.443 231 E N -0.895 119.352 120.200 0.077 0.000 2.158 231 E HA -0.096 4.263 4.350 0.015 0.000 0.191 231 E C 2.061 178.688 176.600 0.047 0.000 0.982 231 E CA 1.480 57.924 56.400 0.073 0.000 0.823 231 E CB -0.070 29.701 29.700 0.118 0.000 0.766 231 E HN 0.833 nan 8.360 nan 0.000 0.468 232 T N -3.695 110.882 114.554 0.039 0.000 3.015 232 T HA 0.218 4.577 4.350 0.015 0.000 0.250 232 T C 1.603 176.308 174.700 0.010 0.000 1.057 232 T CA 0.413 62.523 62.100 0.017 0.000 1.066 232 T CB 0.622 69.492 68.868 0.003 0.000 0.959 232 T HN 0.214 nan 8.240 nan 0.000 0.488 233 G N 1.382 110.191 108.800 0.014 0.000 2.160 233 G HA2 -0.213 3.756 3.960 0.015 0.000 0.251 233 G HA3 -0.213 3.756 3.960 0.015 0.000 0.251 233 G C -0.323 174.576 174.900 -0.001 0.000 1.008 233 G CA 0.277 45.382 45.100 0.008 0.000 0.724 233 G HN 0.685 nan 8.290 nan 0.000 0.514 234 E N -0.526 119.669 120.200 -0.008 0.000 2.288 234 E HA 0.513 4.872 4.350 0.015 0.000 0.268 234 E C 0.308 176.889 176.600 -0.031 0.000 0.885 234 E CA -1.294 55.089 56.400 -0.028 0.000 0.767 234 E CB 1.508 31.180 29.700 -0.047 0.000 1.220 234 E HN 0.050 nan 8.360 nan 0.000 0.427 235 I N 2.892 123.434 120.570 -0.046 0.000 2.668 235 I HA -0.011 4.168 4.170 0.015 0.000 0.285 235 I C 0.265 176.338 176.117 -0.074 0.000 1.168 235 I CA 0.499 61.775 61.300 -0.039 0.000 1.424 235 I CB -0.422 37.551 38.000 -0.045 0.000 1.377 235 I HN 0.302 nan 8.210 nan 0.000 0.560 236 K N 4.684 125.072 120.400 -0.020 0.000 2.267 236 K HA 0.795 5.124 4.320 0.015 0.000 0.246 236 K C -0.017 176.631 176.600 0.080 0.000 0.954 236 K CA -0.659 55.616 56.287 -0.020 0.000 0.824 236 K CB 2.476 34.987 32.500 0.020 0.000 1.167 236 K HN 0.804 nan 8.250 nan 0.000 0.431 237 G N 0.352 109.260 108.800 0.179 0.000 2.690 237 G HA2 0.404 4.373 3.960 0.015 0.000 0.291 237 G HA3 0.404 4.373 3.960 0.015 0.000 0.291 237 G C -1.849 173.258 174.900 0.345 0.000 1.403 237 G CA -0.264 45.053 45.100 0.361 0.000 0.864 237 G HN 0.555 nan 8.290 nan 0.000 0.480 238 H N 0.576 119.722 119.070 0.127 0.000 2.934 238 H HA 0.305 4.870 4.556 0.015 0.000 0.340 238 H C -1.158 174.191 175.328 0.036 0.000 1.008 238 H CA -0.580 55.461 56.048 -0.011 0.000 1.317 238 H CB 1.337 31.093 29.762 -0.010 0.000 1.670 238 H HN 0.372 nan 8.280 nan 0.000 0.516 239 Y N 5.644 125.715 120.300 -0.381 0.000 2.680 239 Y HA 0.113 4.672 4.550 0.015 0.000 0.356 239 Y C 0.676 176.488 175.900 -0.148 0.000 1.122 239 Y CA -0.602 57.342 58.100 -0.260 0.000 1.509 239 Y CB -0.579 37.681 38.460 -0.333 0.000 1.245 239 Y HN 0.338 nan 8.280 nan 0.000 0.513 240 L N 3.823 125.103 121.223 0.095 0.000 2.361 240 L HA 0.149 4.498 4.340 0.015 0.000 0.278 240 L C 0.719 177.640 176.870 0.084 0.000 1.113 240 L CA 0.056 54.883 54.840 -0.021 0.000 0.849 240 L CB 0.305 42.003 42.059 -0.602 0.000 1.155 240 L HN 0.618 nan 8.230 nan 0.000 0.452 241 N N 2.134 120.958 118.700 0.206 0.000 2.416 241 N HA 0.102 4.852 4.740 0.015 0.000 0.265 241 N C 0.809 176.482 175.510 0.271 0.000 1.195 241 N CA -0.412 52.770 53.050 0.220 0.000 0.943 241 N CB 0.938 39.538 38.487 0.188 0.000 1.115 241 N HN 0.527 nan 8.380 nan 0.000 0.481 242 V N 0.463 120.497 119.914 0.200 0.000 3.621 242 V HA 0.150 4.279 4.120 0.015 0.000 0.285 242 V C 0.631 176.756 176.094 0.052 0.000 1.346 242 V CA -0.206 62.152 62.300 0.098 0.000 1.104 242 V CB -0.241 31.586 31.823 0.006 0.000 0.913 242 V HN 0.419 nan 8.190 nan 0.000 0.432 243 T N 3.256 117.900 114.554 0.150 0.000 2.866 243 T HA 0.503 4.862 4.350 0.015 0.000 0.293 243 T C 0.193 174.891 174.700 -0.004 0.000 1.005 243 T CA 1.174 63.342 62.100 0.113 0.000 1.162 243 T CB 0.366 69.237 68.868 0.006 0.000 0.968 243 T HN 1.034 nan 8.240 nan 0.000 0.530 244 A N 5.280 128.089 122.820 -0.019 0.000 2.569 244 A HA 0.788 5.117 4.320 0.015 0.000 0.290 244 A C -1.678 175.870 177.584 -0.060 0.000 1.136 244 A CA -1.349 50.636 52.037 -0.087 0.000 0.710 244 A CB 0.813 19.715 19.000 -0.163 0.000 1.303 244 A HN 0.529 nan 8.150 nan 0.000 0.413 245 P HA 0.022 nan 4.420 nan 0.000 0.219 245 P C 0.573 177.847 177.300 -0.043 0.000 1.150 245 P CA 1.883 64.953 63.100 -0.050 0.000 0.814 245 P CB -0.050 31.620 31.700 -0.048 0.000 0.787 246 T N -4.789 109.731 114.554 -0.057 0.000 2.883 246 T HA 0.316 4.675 4.350 0.015 0.000 0.296 246 T C 1.030 175.692 174.700 -0.063 0.000 1.117 246 T CA -0.656 61.414 62.100 -0.049 0.000 1.006 246 T CB 1.046 69.884 68.868 -0.050 0.000 1.191 246 T HN -0.097 nan 8.240 nan 0.000 0.508 247 C N 0.600 119.870 119.300 -0.052 0.000 2.413 247 C HA -0.037 4.432 4.460 0.015 0.000 0.277 247 C C 2.640 177.568 174.990 -0.103 0.000 1.265 247 C CA 1.013 59.990 59.018 -0.068 0.000 1.752 247 C CB -1.369 26.345 27.740 -0.043 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.807 120.954 120.200 -0.088 0.000 2.077 248 E HA -0.143 4.216 4.350 0.015 0.000 0.193 248 E C 2.268 178.783 176.600 -0.141 0.000 0.989 248 E CA 0.957 57.300 56.400 -0.096 0.000 0.800 248 E CB -0.285 29.376 29.700 -0.066 0.000 0.746 248 E HN 0.515 nan 8.360 nan 0.000 0.452 249 E N 0.167 120.275 120.200 -0.153 0.000 2.072 249 E HA -0.162 4.197 4.350 0.015 0.000 0.191 249 E C 2.022 178.430 176.600 -0.320 0.000 0.985 249 E CA 0.752 57.014 56.400 -0.230 0.000 0.801 249 E CB -0.276 29.300 29.700 -0.206 0.000 0.750 249 E HN 0.315 nan 8.360 nan 0.000 0.452 250 M N -0.226 119.224 119.600 -0.250 0.000 2.082 250 M HA -0.217 4.272 4.480 0.015 0.000 0.258 250 M C 1.972 178.059 176.300 -0.355 0.000 1.069 250 M CA 1.511 56.650 55.300 -0.270 0.000 1.102 250 M CB -0.012 32.470 32.600 -0.196 0.000 1.336 250 M HN 0.037 nan 8.290 nan 0.000 0.404 251 M N -0.119 119.280 119.600 -0.334 0.000 2.200 251 M HA -0.165 4.324 4.480 0.015 0.000 0.265 251 M C 2.100 178.182 176.300 -0.363 0.000 1.066 251 M CA 1.467 56.517 55.300 -0.418 0.000 1.127 251 M CB -1.186 31.234 32.600 -0.300 0.000 1.379 251 M HN 0.368 nan 8.290 nan 0.000 0.420 252 K N 0.452 120.683 120.400 -0.281 0.000 2.097 252 K HA -0.157 4.172 4.320 0.015 0.000 0.206 252 K C 2.041 178.478 176.600 -0.272 0.000 1.049 252 K CA 1.315 57.479 56.287 -0.205 0.000 0.933 252 K CB 0.115 32.507 32.500 -0.181 0.000 0.717 252 K HN 0.269 nan 8.250 nan 0.000 0.442 253 R N -0.239 119.927 120.500 -0.558 0.000 2.075 253 R HA 0.001 4.350 4.340 0.015 0.000 0.226 253 R C 2.408 178.672 176.300 -0.060 0.000 1.114 253 R CA 0.982 56.679 56.100 -0.672 0.000 0.972 253 R CB -0.266 29.480 30.300 -0.924 0.000 0.869 253 R HN 0.185 nan 8.270 nan 0.000 0.437 254 A N 1.158 123.828 122.820 -0.250 0.000 1.940 254 A HA -0.227 4.102 4.320 0.015 0.000 0.219 254 A C 1.973 179.448 177.584 -0.182 0.000 1.176 254 A CA 1.619 53.434 52.037 -0.370 0.000 0.631 254 A CB -0.319 18.035 19.000 -1.077 0.000 0.814 254 A HN 0.213 nan 8.150 nan 0.000 0.446 255 E N -1.213 118.912 120.200 -0.126 0.000 2.077 255 E HA -0.132 4.227 4.350 0.015 0.000 0.193 255 E C 1.598 178.417 176.600 0.366 0.000 0.989 255 E CA 1.187 57.706 56.400 0.198 0.000 0.800 255 E CB -0.333 29.450 29.700 0.139 0.000 0.746 255 E HN 0.576 nan 8.360 nan 0.000 0.452 256 F N 0.463 120.559 119.950 0.243 0.000 2.186 256 F HA 0.019 4.553 4.527 0.013 0.000 0.299 256 F C 1.953 177.992 175.800 0.399 0.000 1.090 256 F CA 1.191 59.391 58.000 0.334 0.000 1.307 256 F CB -0.709 38.557 39.000 0.445 0.000 1.019 256 F HN 0.066 nan 8.300 nan 0.000 0.489 257 A N 0.230 123.296 122.820 0.411 0.000 1.908 257 A HA -0.249 4.080 4.320 0.015 0.000 0.218 257 A C 2.402 180.064 177.584 0.131 0.000 1.181 257 A CA 1.902 54.058 52.037 0.199 0.000 0.627 257 A CB -0.837 18.288 19.000 0.209 0.000 0.818 257 A HN 0.406 nan 8.150 nan 0.000 0.445 258 K N -0.429 120.130 120.400 0.264 0.000 2.057 258 K HA -0.182 4.148 4.320 0.015 0.000 0.206 258 K C 2.071 178.749 176.600 0.130 0.000 1.050 258 K CA 1.575 58.004 56.287 0.235 0.000 0.935 258 K CB -0.176 32.550 32.500 0.376 0.000 0.715 258 K HN 0.649 nan 8.250 nan 0.000 0.439 259 E N 0.559 120.837 120.200 0.130 0.000 2.118 259 E HA -0.169 4.190 4.350 0.015 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 0.178 0.000 0.741 259 E HN 0.321 nan 8.360 nan 0.000 0.458 260 L N -0.529 120.607 121.223 -0.145 0.000 2.554 260 L HA 0.109 4.458 4.340 0.015 0.000 0.226 260 L C 1.314 178.181 176.870 -0.004 0.000 1.137 260 L CA 0.425 55.178 54.840 -0.145 0.000 0.863 260 L CB 0.034 41.912 42.059 -0.302 0.000 0.985 260 L HN 0.376 nan 8.230 nan 0.000 0.451 261 G N 0.106 108.919 108.800 0.022 0.000 2.176 261 G HA2 -0.258 3.712 3.960 0.015 0.000 0.252 261 G HA3 -0.258 3.712 3.960 0.015 0.000 0.252 261 G C 0.253 175.189 174.900 0.060 0.000 1.024 261 G CA -0.206 44.926 45.100 0.053 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 0.038 0.000 2.200 262 M HA 0.209 4.698 4.480 0.015 0.000 0.355 262 M C -0.503 175.831 176.300 0.057 0.000 1.283 262 M CA -2.034 53.288 55.300 0.035 0.000 1.124 262 M CB 0.750 33.344 32.600 -0.009 0.000 1.625 262 M HN 0.043 nan 8.290 nan 0.000 0.463 263 P HA 0.176 nan 4.420 nan 0.000 0.231 263 P C 0.059 177.383 177.300 0.040 0.000 1.168 263 P CA 0.793 63.926 63.100 0.054 0.000 0.779 263 P CB 0.973 32.724 31.700 0.084 0.000 0.844 264 I N -0.167 120.441 120.570 0.062 0.000 2.722 264 I HA 0.352 4.531 4.170 0.015 0.000 0.292 264 I C -1.267 174.879 176.117 0.047 0.000 1.267 264 I CA -1.461 59.853 61.300 0.024 0.000 1.036 264 I CB 2.251 40.247 38.000 -0.006 0.000 1.281 264 I HN -0.256 nan 8.210 nan 0.000 0.423 265 I N 4.398 124.984 120.570 0.026 0.000 3.206 265 I HA 0.690 4.869 4.170 0.015 0.000 0.313 265 I C -0.953 175.187 176.117 0.038 0.000 1.103 265 I CA -0.990 60.342 61.300 0.053 0.000 0.985 265 I CB 2.202 40.254 38.000 0.085 0.000 1.240 265 I HN 0.710 nan 8.210 nan 0.000 0.464 266 M N 1.625 121.291 119.600 0.110 0.000 2.690 266 M HA 0.652 5.141 4.480 0.015 0.000 0.302 266 M C -1.617 174.813 176.300 0.217 0.000 1.234 266 M CA -0.514 54.883 55.300 0.162 0.000 0.853 266 M CB 2.343 35.112 32.600 0.282 0.000 1.748 266 M HN 0.782 nan 8.290 nan 0.000 0.469 267 H N -0.128 118.981 119.070 0.065 0.000 3.026 267 H HA 0.423 4.990 4.556 0.017 0.000 0.352 267 H C -1.993 173.383 175.328 0.081 0.000 1.090 267 H CA -0.528 55.548 56.048 0.047 0.000 1.268 267 H CB 1.684 31.458 29.762 0.020 0.000 1.816 267 H HN 0.769 nan 8.280 nan 0.000 0.518 268 D N 6.068 126.267 120.400 -0.334 0.000 2.453 268 D HA 0.022 4.671 4.640 0.015 0.000 0.223 268 D C 1.129 177.195 176.300 -0.389 0.000 1.183 268 D CA -0.213 53.653 54.000 -0.224 0.000 0.933 268 D CB -0.268 40.417 40.800 -0.192 0.000 1.038 268 D HN 0.521 nan 8.370 nan 0.000 0.513 269 F N 0.880 120.592 119.950 -0.396 0.000 2.293 269 F HA -0.042 4.493 4.527 0.014 0.000 0.300 269 F C 1.242 176.767 175.800 -0.458 0.000 1.086 269 F CA 0.727 58.483 58.000 -0.407 0.000 1.375 269 F CB -0.427 38.380 39.000 -0.323 0.000 1.045 269 F HN 0.171 nan 8.300 nan 0.000 0.516 270 L N 0.517 121.135 121.223 -1.008 0.000 2.202 270 L HA -0.040 4.309 4.340 0.015 0.000 0.205 270 L C 2.656 179.266 176.870 -0.433 0.000 1.083 270 L CA 1.415 55.730 54.840 -0.876 0.000 0.790 270 L CB -0.890 40.648 42.059 -0.868 0.000 0.942 270 L HN 0.366 nan 8.230 nan 0.000 0.452 271 T N -3.062 111.295 114.554 -0.328 0.000 3.014 271 T HA 0.073 4.432 4.350 0.015 0.000 0.263 271 T C 1.792 176.384 174.700 -0.179 0.000 1.078 271 T CA 0.720 62.696 62.100 -0.207 0.000 1.135 271 T CB 0.031 68.804 68.868 -0.157 0.000 0.895 271 T HN 0.240 nan 8.240 nan 0.000 0.480 272 A N 1.561 124.244 122.820 -0.229 0.000 1.903 272 A HA 0.621 4.950 4.320 0.015 0.000 0.213 272 A C 1.486 179.022 177.584 -0.080 0.000 1.185 272 A CA 0.720 52.673 52.037 -0.140 0.000 0.628 272 A CB -0.799 18.087 19.000 -0.190 0.000 0.830 272 A HN 1.434 nan 8.150 nan 0.000 0.446 273 G N -3.153 105.559 108.800 -0.147 0.000 2.539 273 G HA2 0.047 4.016 3.960 0.015 0.000 0.686 273 G HA3 0.047 4.016 3.960 0.015 0.000 0.686 273 G C -0.061 174.830 174.900 -0.015 0.000 1.258 273 G CA -0.226 44.814 45.100 -0.099 0.000 0.846 273 G HN 0.217 nan 8.290 nan 0.000 0.647 274 F N 0.482 120.489 119.950 0.095 0.000 2.234 274 F HA 0.042 4.578 4.527 0.014 0.000 0.299 274 F C 3.050 178.923 175.800 0.122 0.000 1.087 274 F CA 2.210 60.296 58.000 0.143 0.000 1.340 274 F CB -0.225 38.851 39.000 0.127 0.000 1.031 274 F HN 0.537 nan 8.300 nan 0.000 0.500 275 T N -0.439 114.274 114.554 0.264 0.000 2.777 275 T HA -0.137 4.222 4.350 0.015 0.000 0.266 275 T C 2.314 177.093 174.700 0.131 0.000 1.040 275 T CA 1.301 63.503 62.100 0.170 0.000 1.141 275 T CB -0.555 68.383 68.868 0.118 0.000 0.868 275 T HN 0.262 nan 8.240 nan 0.000 0.444 276 A N 1.959 124.853 122.820 0.124 0.000 1.898 276 A HA -0.109 4.220 4.320 0.015 0.000 0.216 276 A C 2.257 179.894 177.584 0.088 0.000 1.181 276 A CA 1.454 53.547 52.037 0.093 0.000 0.620 276 A CB -0.760 18.314 19.000 0.123 0.000 0.819 276 A HN 0.520 nan 8.150 nan 0.000 0.442 277 N N -0.402 118.422 118.700 0.207 0.000 2.120 277 N HA -0.148 4.601 4.740 0.015 0.000 0.188 277 N C 1.587 177.174 175.510 0.128 0.000 1.024 277 N CA 2.051 55.221 53.050 0.200 0.000 0.852 277 N CB -0.159 38.504 38.487 0.294 0.000 1.003 277 N HN 0.421 nan 8.380 nan 0.000 0.424 278 T N -0.168 114.490 114.554 0.174 0.000 2.788 278 T HA -0.073 4.287 4.350 0.015 0.000 0.268 278 T C 1.823 176.579 174.700 0.094 0.000 1.044 278 T CA 1.455 63.644 62.100 0.148 0.000 1.139 278 T CB -0.511 68.461 68.868 0.174 0.000 0.867 278 T HN 0.308 nan 8.240 nan 0.000 0.454 279 T N 2.194 116.791 114.554 0.071 0.000 2.684 279 T HA -0.058 4.301 4.350 0.015 0.000 0.267 279 T C 1.856 176.592 174.700 0.059 0.000 1.036 279 T CA 0.925 63.056 62.100 0.052 0.000 1.148 279 T CB -0.423 68.456 68.868 0.018 0.000 0.863 279 T HN 0.114 nan 8.240 nan 0.000 0.436 280 L N 1.140 122.358 121.223 -0.008 0.000 2.056 280 L HA 0.164 4.513 4.340 0.015 0.000 0.207 280 L C 2.582 179.518 176.870 0.109 0.000 1.078 280 L CA 1.737 56.566 54.840 -0.018 0.000 0.749 280 L CB -0.988 40.914 42.059 -0.261 0.000 0.901 280 L HN 0.215 nan 8.230 nan 0.000 0.433 281 A N -0.638 122.221 122.820 0.065 0.000 1.933 281 A HA -0.177 4.152 4.320 0.015 0.000 0.218 281 A C 2.211 179.830 177.584 0.057 0.000 1.175 281 A CA 1.603 53.674 52.037 0.056 0.000 0.628 281 A CB -0.437 18.586 19.000 0.038 0.000 0.814 281 A HN 0.412 nan 8.150 nan 0.000 0.444 282 K N -1.481 118.967 120.400 0.080 0.000 2.062 282 K HA -0.176 4.153 4.320 0.015 0.000 0.205 282 K C 1.781 178.428 176.600 0.077 0.000 1.051 282 K CA 1.316 57.638 56.287 0.059 0.000 0.941 282 K CB -0.558 31.982 32.500 0.066 0.000 0.719 282 K HN 0.755 nan 8.250 nan 0.000 0.440 283 W N 1.823 123.108 121.300 -0.025 0.000 2.358 283 W HA -0.254 4.410 4.660 0.006 0.000 0.303 283 W C 2.102 178.620 176.519 -0.003 0.000 1.208 283 W CA 1.335 58.672 57.345 -0.014 0.000 1.274 283 W CB -0.400 29.049 29.460 -0.020 0.000 1.138 283 W HN 0.022 nan 8.180 nan 0.000 0.515 284 C N 0.108 119.509 119.300 0.168 0.000 2.425 284 C HA -0.168 4.301 4.460 0.015 0.000 0.277 284 C C 2.717 177.637 174.990 -0.115 0.000 1.280 284 C CA 1.494 60.530 59.018 0.030 0.000 1.744 284 C CB -1.532 26.310 27.740 0.169 0.000 1.989 284 C HN 0.437 nan 8.230 nan 0.000 0.491 285 R N 1.340 121.749 120.500 -0.151 0.000 2.081 285 R HA -0.093 4.256 4.340 0.015 0.000 0.235 285 R C 1.546 177.739 176.300 -0.179 0.000 1.131 285 R CA 1.815 57.785 56.100 -0.216 0.000 0.960 285 R CB -0.552 29.640 30.300 -0.180 0.000 0.856 285 R HN 0.427 nan 8.270 nan 0.000 0.436 286 D N -0.470 119.797 120.400 -0.222 0.000 2.317 286 D HA -0.026 4.623 4.640 0.015 0.000 0.211 286 D C 0.443 176.554 176.300 -0.315 0.000 0.966 286 D CA 0.759 54.622 54.000 -0.229 0.000 0.876 286 D CB 0.093 40.769 40.800 -0.208 0.000 0.927 286 D HN 0.311 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 4.845 4.740 0.015 0.000 0.217 287 N C 0.838 176.168 175.510 -0.300 0.000 1.223 287 N CA 0.350 53.077 53.050 -0.537 0.000 0.896 287 N CB 1.828 39.601 38.487 -1.190 0.000 1.064 287 N HN 0.047 nan 8.380 nan 0.000 0.518 288 G N 1.310 110.032 108.800 -0.130 0.000 2.221 288 G HA2 -0.246 3.723 3.960 0.015 0.000 0.265 288 G HA3 -0.246 3.723 3.960 0.015 0.000 0.265 288 G C -0.170 174.705 174.900 -0.042 0.000 1.041 288 G CA 0.263 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 0.911 120.830 119.914 0.008 0.000 2.435 289 V HA 0.579 4.708 4.120 0.015 0.000 0.290 289 V C 1.013 177.166 176.094 0.099 0.000 1.030 289 V CA -0.901 61.421 62.300 0.037 0.000 0.881 289 V CB 1.728 33.640 31.823 0.148 0.000 0.983 289 V HN 0.340 nan 8.190 nan 0.000 0.445 290 L N 4.559 125.753 121.223 -0.047 0.000 2.436 290 L HA 0.379 4.729 4.340 0.015 0.000 0.265 290 L C -0.395 176.439 176.870 -0.060 0.000 1.168 290 L CA -0.249 54.554 54.840 -0.061 0.000 0.815 290 L CB 0.762 42.713 42.059 -0.179 0.000 1.109 290 L HN 0.437 nan 8.230 nan 0.000 0.462 291 L N 2.468 123.629 121.223 -0.103 0.000 2.342 291 L HA 0.346 4.695 4.340 0.015 0.000 0.276 291 L C -0.616 176.081 176.870 -0.289 0.000 0.997 291 L CA -0.251 54.516 54.840 -0.122 0.000 0.838 291 L CB 0.988 43.029 42.059 -0.029 0.000 1.224 291 L HN 0.475 nan 8.230 nan 0.000 0.416 292 H N 5.442 124.229 119.070 -0.471 0.000 2.527 292 H HA 0.564 5.129 4.556 0.015 0.000 0.321 292 H C -0.874 174.335 175.328 -0.199 0.000 1.087 292 H CA -0.480 55.241 56.048 -0.545 0.000 1.337 292 H CB 0.777 29.932 29.762 -1.011 0.000 1.440 292 H HN 0.501 nan 8.280 nan 0.000 0.490 293 I N 5.867 126.066 120.570 -0.618 0.000 2.339 293 I HA 0.107 4.286 4.170 0.015 0.000 0.290 293 I C 0.131 176.034 176.117 -0.356 0.000 0.994 293 I CA -0.423 60.665 61.300 -0.355 0.000 1.191 293 I CB 0.831 38.616 38.000 -0.358 0.000 1.343 293 I HN 0.723 nan 8.210 nan 0.000 0.458 294 H N 7.292 126.240 119.070 -0.203 0.000 2.502 294 H HA 0.290 4.855 4.556 0.015 0.000 0.327 294 H C 0.223 175.527 175.328 -0.041 0.000 1.099 294 H CA -0.400 55.496 56.048 -0.252 0.000 1.323 294 H CB 1.262 30.932 29.762 -0.153 0.000 1.450 294 H HN 0.505 nan 8.280 nan 0.000 0.502 295 R N 2.953 123.267 120.500 -0.311 0.000 2.555 295 R HA 0.374 4.723 4.340 0.015 0.000 0.272 295 R C 0.516 176.843 176.300 0.045 0.000 1.089 295 R CA -0.246 55.877 56.100 0.038 0.000 1.126 295 R CB -0.094 30.148 30.300 -0.096 0.000 1.250 295 R HN 0.376 nan 8.270 nan 0.000 0.551 296 A N 1.460 124.399 122.820 0.198 0.000 2.580 296 A HA 0.101 4.430 4.320 0.015 0.000 0.244 296 A C 0.931 178.526 177.584 0.018 0.000 1.045 296 A CA 0.938 53.087 52.037 0.188 0.000 0.761 296 A CB -0.278 18.813 19.000 0.152 0.000 0.962 296 A HN 0.841 nan 8.150 nan 0.000 0.512 297 M N 0.566 120.176 119.600 0.017 0.000 3.035 297 M HA -0.280 4.209 4.480 0.015 0.000 0.218 297 M C 0.977 177.228 176.300 -0.082 0.000 0.567 297 M CA 1.792 57.054 55.300 -0.062 0.000 0.833 297 M CB -2.039 30.498 32.600 -0.105 0.000 2.966 297 M HN 1.254 nan 8.290 nan 0.000 0.300 298 H N -0.757 118.260 119.070 -0.089 0.000 2.422 298 H HA 0.263 4.828 4.556 0.015 0.000 0.298 298 H C 1.696 177.011 175.328 -0.022 0.000 1.098 298 H CA 1.891 57.916 56.048 -0.038 0.000 1.315 298 H CB -0.423 29.373 29.762 0.057 0.000 1.382 298 H HN 0.491 nan 8.280 nan 0.000 0.523 299 A N 1.120 123.422 122.820 -0.864 0.000 2.119 299 A HA 0.026 4.355 4.320 0.015 0.000 0.217 299 A C 2.436 179.876 177.584 -0.240 0.000 1.153 299 A CA 0.913 52.593 52.037 -0.594 0.000 0.692 299 A CB -0.632 18.032 19.000 -0.561 0.000 0.799 299 A HN 0.352 nan 8.150 nan 0.000 0.458 300 V N -0.181 119.627 119.914 -0.177 0.000 2.594 300 V HA -0.244 3.885 4.120 0.015 0.000 0.253 300 V C 2.163 178.226 176.094 -0.052 0.000 1.069 300 V CA 2.098 64.345 62.300 -0.089 0.000 1.082 300 V CB -0.529 31.250 31.823 -0.074 0.000 0.680 300 V HN 0.618 nan 8.190 nan 0.000 0.469 301 I N 0.342 120.876 120.570 -0.061 0.000 3.172 301 I HA 0.014 4.193 4.170 0.015 0.000 0.278 301 I C 1.668 177.789 176.117 0.005 0.000 1.174 301 I CA 0.969 62.256 61.300 -0.023 0.000 1.445 301 I CB -0.021 37.964 38.000 -0.026 0.000 1.175 301 I HN 0.443 nan 8.210 nan 0.000 0.447 302 D N -0.240 120.153 120.400 -0.013 0.000 2.433 302 D HA -0.030 4.619 4.640 0.015 0.000 0.211 302 D C 1.785 178.079 176.300 -0.009 0.000 1.114 302 D CA -0.063 53.942 54.000 0.009 0.000 0.837 302 D CB 0.003 40.841 40.800 0.063 0.000 0.984 302 D HN 0.006 nan 8.370 nan 0.000 0.505 303 R N 0.154 120.643 120.500 -0.018 0.000 2.062 303 R HA 0.039 4.388 4.340 0.015 0.000 0.226 303 R C 0.410 176.740 176.300 0.050 0.000 1.125 303 R CA 0.975 57.072 56.100 -0.004 0.000 0.966 303 R CB -0.003 30.277 30.300 -0.033 0.000 0.861 303 R HN 0.018 nan 8.270 nan 0.000 0.433 304 Q N 0.899 120.741 119.800 0.070 0.000 2.261 304 Q HA 0.080 4.429 4.340 0.015 0.000 0.252 304 Q C 0.267 176.347 176.000 0.134 0.000 0.915 304 Q CA -0.015 55.846 55.803 0.096 0.000 0.915 304 Q CB 1.473 30.271 28.738 0.099 0.000 1.204 304 Q HN 0.456 nan 8.270 nan 0.000 0.421 305 R N 0.824 121.406 120.500 0.138 0.000 2.310 305 R HA 0.012 4.361 4.340 0.015 0.000 0.202 305 R C 0.799 177.191 176.300 0.154 0.000 0.933 305 R CA 0.608 56.809 56.100 0.167 0.000 1.054 305 R CB 0.000 30.401 30.300 0.168 0.000 0.985 305 R HN 0.467 nan 8.270 nan 0.000 0.489 306 N N 0.237 119.026 118.700 0.147 0.000 2.405 306 N HA -0.097 4.652 4.740 0.015 0.000 0.175 306 N C -0.397 175.253 175.510 0.234 0.000 1.051 306 N CA 0.463 53.602 53.050 0.148 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 0.147 0.000 3.026 307 H HA 0.560 5.126 4.556 0.015 0.000 0.352 307 H C -0.007 175.455 175.328 0.222 0.000 1.090 307 H CA 0.405 56.577 56.048 0.207 0.000 1.268 307 H CB 1.456 31.322 29.762 0.173 0.000 1.816 307 H HN 0.359 nan 8.280 nan 0.000 0.518 308 G N 2.565 111.394 108.800 0.049 0.000 2.250 308 G HA2 0.016 3.985 3.960 0.015 0.000 0.252 308 G HA3 0.016 3.985 3.960 0.015 0.000 0.252 308 G C -1.609 173.355 174.900 0.106 0.000 1.325 308 G CA -0.348 44.788 45.100 0.060 0.000 1.091 308 G HN 0.627 nan 8.290 nan 0.000 0.476 309 I N 1.003 121.602 120.570 0.048 0.000 2.498 309 I HA 0.340 4.519 4.170 0.015 0.000 0.290 309 I C 0.185 176.366 176.117 0.106 0.000 1.032 309 I CA -0.904 60.439 61.300 0.071 0.000 1.073 309 I CB 1.988 39.987 38.000 -0.001 0.000 1.251 309 I HN 0.654 nan 8.210 nan 0.000 0.426 310 H N 4.817 123.932 119.070 0.074 0.000 2.790 310 H HA 0.007 4.572 4.556 0.015 0.000 0.358 310 H C 0.437 175.827 175.328 0.103 0.000 1.103 310 H CA 0.576 56.696 56.048 0.121 0.000 1.426 310 H CB 1.075 30.912 29.762 0.124 0.000 1.424 310 H HN 0.648 nan 8.280 nan 0.000 0.599 311 F N 5.182 124.914 119.950 -0.362 0.000 2.202 311 F HA -0.204 4.332 4.527 0.015 0.000 0.301 311 F C 2.652 178.377 175.800 -0.126 0.000 1.082 311 F CA 1.753 59.619 58.000 -0.223 0.000 1.313 311 F CB -0.123 38.633 39.000 -0.407 0.000 1.024 311 F HN 0.662 nan 8.300 nan 0.000 0.495 312 R N -0.162 120.385 120.500 0.080 0.000 2.189 312 R HA -0.087 4.262 4.340 0.015 0.000 0.223 312 R C 1.661 177.947 176.300 -0.023 0.000 1.092 312 R CA 1.714 57.826 56.100 0.020 0.000 0.989 312 R CB -1.055 29.477 30.300 0.388 0.000 0.876 312 R HN 0.315 nan 8.270 nan 0.000 0.457 313 V N 1.745 121.666 119.914 0.011 0.000 2.379 313 V HA -0.155 3.974 4.120 0.015 0.000 0.245 313 V C 2.465 178.541 176.094 -0.031 0.000 1.044 313 V CA 1.343 63.659 62.300 0.026 0.000 1.036 313 V CB -0.340 31.496 31.823 0.022 0.000 0.664 313 V HN 0.264 nan 8.190 nan 0.000 0.453 314 L N 0.238 121.369 121.223 -0.152 0.000 2.093 314 L HA -0.126 4.223 4.340 0.015 0.000 0.208 314 L C 2.739 179.464 176.870 -0.241 0.000 1.085 314 L CA 1.460 56.246 54.840 -0.091 0.000 0.755 314 L CB -0.830 41.184 42.059 -0.076 0.000 0.904 314 L HN 0.359 nan 8.230 nan 0.000 0.435 315 A N 0.300 122.727 122.820 -0.656 0.000 1.877 315 A HA -0.207 4.122 4.320 0.015 0.000 0.216 315 A C 2.355 179.814 177.584 -0.208 0.000 1.186 315 A CA 1.602 53.321 52.037 -0.530 0.000 0.620 315 A CB -0.324 18.314 19.000 -0.603 0.000 0.822 315 A HN 0.294 nan 8.150 nan 0.000 0.443 316 K N -0.773 119.596 120.400 -0.051 0.000 2.026 316 K HA -0.160 4.169 4.320 0.015 0.000 0.208 316 K C 2.097 178.647 176.600 -0.083 0.000 1.048 316 K CA 1.518 57.885 56.287 0.133 0.000 0.929 316 K CB -0.494 32.207 32.500 0.335 0.000 0.713 316 K HN 0.566 nan 8.250 nan 0.000 0.439 317 C N 1.110 120.350 119.300 -0.100 0.000 2.425 317 C HA -0.084 4.385 4.460 0.015 0.000 0.277 317 C C 2.496 177.424 174.990 -0.104 0.000 1.280 317 C CA 0.309 59.200 59.018 -0.212 0.000 1.744 317 C CB -0.770 26.894 27.740 -0.127 0.000 1.989 317 C HN 0.487 nan 8.230 nan 0.000 0.491 318 L N 1.574 122.778 121.223 -0.031 0.000 2.056 318 L HA -0.097 4.252 4.340 0.015 0.000 0.207 318 L C 2.727 179.468 176.870 -0.216 0.000 1.078 318 L CA 1.901 56.644 54.840 -0.162 0.000 0.749 318 L CB -0.993 40.723 42.059 -0.573 0.000 0.901 318 L HN 0.363 nan 8.230 nan 0.000 0.433 319 R N -0.184 120.162 120.500 -0.258 0.000 2.120 319 R HA -0.157 4.192 4.340 0.015 0.000 0.234 319 R C 2.293 178.439 176.300 -0.257 0.000 1.123 319 R CA 1.406 57.318 56.100 -0.314 0.000 0.975 319 R CB -0.259 29.717 30.300 -0.541 0.000 0.866 319 R HN 0.424 nan 8.270 nan 0.000 0.446 320 L N -0.494 120.549 121.223 -0.300 0.000 2.023 320 L HA -0.083 4.266 4.340 0.015 0.000 0.205 320 L C 2.617 179.373 176.870 -0.190 0.000 1.073 320 L CA 1.490 56.053 54.840 -0.462 0.000 0.745 320 L CB -0.648 40.718 42.059 -1.153 0.000 0.900 320 L HN 0.286 nan 8.230 nan 0.000 0.435 321 S N -0.817 114.830 115.700 -0.089 0.000 2.356 321 S HA 0.005 4.484 4.470 0.015 0.000 0.223 321 S C 0.836 175.486 174.600 0.084 0.000 1.032 321 S CA 1.129 59.405 58.200 0.127 0.000 1.005 321 S CB -0.237 63.148 63.200 0.309 0.000 0.867 321 S HN 0.607 nan 8.310 nan 0.000 0.449 322 G N -1.576 107.218 108.800 -0.010 0.000 2.873 322 G HA2 0.427 4.396 3.960 0.015 0.000 0.507 322 G HA3 0.427 4.396 3.960 0.015 0.000 0.507 322 G C -0.386 174.462 174.900 -0.086 0.000 1.440 322 G CA -0.429 44.645 45.100 -0.043 0.000 1.016 322 G HN 0.956 nan 8.290 nan 0.000 0.615 323 G N 0.611 109.336 108.800 -0.125 0.000 2.733 323 G HA2 0.594 4.563 3.960 0.015 0.000 0.297 323 G HA3 0.594 4.563 3.960 0.015 0.000 0.297 323 G C -0.149 174.675 174.900 -0.126 0.000 1.452 323 G CA 0.136 45.148 45.100 -0.147 0.000 0.940 323 G HN 0.328 nan 8.290 nan 0.000 0.547 324 D N -0.230 120.102 120.400 -0.113 0.000 2.216 324 D HA 0.071 4.720 4.640 0.015 0.000 0.208 324 D C 0.452 176.794 176.300 0.070 0.000 0.960 324 D CA 1.076 55.050 54.000 -0.043 0.000 0.861 324 D CB 0.285 41.054 40.800 -0.052 0.000 0.985 324 D HN 0.586 nan 8.370 nan 0.000 0.493 325 H N -0.769 118.191 119.070 -0.182 0.000 2.670 325 H HA 0.566 5.131 4.556 0.016 0.000 0.361 325 H C -0.972 174.180 175.328 -0.295 0.000 1.169 325 H CA -1.087 54.834 56.048 -0.213 0.000 1.198 325 H CB 2.596 32.240 29.762 -0.196 0.000 1.700 325 H HN -0.120 nan 8.280 nan 0.000 0.542 326 L N 1.587 122.749 121.223 -0.102 0.000 2.505 326 L HA 0.199 4.548 4.340 0.015 0.000 0.266 326 L C -0.882 175.964 176.870 -0.041 0.000 0.954 326 L CA -0.369 54.392 54.840 -0.132 0.000 0.852 326 L CB 1.486 43.463 42.059 -0.136 0.000 1.282 326 L HN 0.719 nan 8.230 nan 0.000 0.403 327 H N 2.693 121.629 119.070 -0.223 0.000 3.001 327 H HA 0.159 4.724 4.556 0.015 0.000 0.334 327 H C 0.292 175.506 175.328 -0.190 0.000 1.034 327 H CA 0.851 56.768 56.048 -0.218 0.000 1.420 327 H CB 0.941 30.512 29.762 -0.318 0.000 1.405 327 H HN 0.773 nan 8.280 nan 0.000 0.593 328 S N 1.719 117.384 115.700 -0.059 0.000 2.666 328 S HA 0.305 4.784 4.470 0.015 0.000 0.239 328 S C 0.977 175.645 174.600 0.113 0.000 1.031 328 S CA 0.036 58.314 58.200 0.130 0.000 1.015 328 S CB 1.132 64.498 63.200 0.278 0.000 0.981 328 S HN 1.093 nan 8.310 nan 0.000 0.547 329 G N 1.359 110.126 108.800 -0.055 0.000 2.756 329 G HA2 -0.109 3.861 3.960 0.015 0.000 0.678 329 G HA3 -0.109 3.861 3.960 0.015 0.000 0.678 329 G C 0.303 175.231 174.900 0.047 0.000 1.349 329 G CA 0.195 45.295 45.100 -0.001 0.000 0.847 329 G HN 0.987 nan 8.290 nan 0.000 0.548 330 T N -3.462 111.124 114.554 0.053 0.000 2.955 330 T HA 0.441 4.800 4.350 0.015 0.000 0.251 330 T C 1.854 176.630 174.700 0.127 0.000 1.002 330 T CA 1.377 63.526 62.100 0.080 0.000 0.970 330 T CB 0.437 69.251 68.868 -0.090 0.000 1.091 330 T HN 2.267 nan 8.240 nan 0.000 0.495 331 V N 0.839 120.796 119.914 0.072 0.000 0.449 331 V HA -0.330 3.799 4.120 0.015 0.000 0.092 331 V C 2.072 178.159 176.094 -0.012 0.000 2.531 331 V CA 2.000 64.317 62.300 0.028 0.000 3.708 331 V CB -1.936 29.893 31.823 0.009 0.000 0.981 331 V HN 0.721 nan 8.190 nan 0.000 1.031 332 V N -1.521 118.355 119.914 -0.064 0.000 3.650 332 V HA 0.671 4.800 4.120 0.015 0.000 0.271 332 V C 1.295 177.231 176.094 -0.264 0.000 1.281 332 V CA 1.334 63.553 62.300 -0.136 0.000 1.120 332 V CB 0.046 31.774 31.823 -0.157 0.000 0.856 332 V HN 0.866 nan 8.190 nan 0.000 0.443 333 G N 1.415 110.071 108.800 -0.240 0.000 2.531 333 G HA2 0.266 4.235 3.960 0.015 0.000 0.253 333 G HA3 0.266 4.235 3.960 0.015 0.000 0.253 333 G C 0.747 175.597 174.900 -0.084 0.000 1.439 333 G CA 0.066 45.030 45.100 -0.228 0.000 1.056 333 G HN 0.495 nan 8.290 nan 0.000 0.555 334 K N -1.194 119.176 120.400 -0.049 0.000 2.366 334 K HA 0.182 4.511 4.320 0.015 0.000 0.198 334 K C 0.255 176.855 176.600 0.002 0.000 1.044 334 K CA 0.373 56.658 56.287 -0.004 0.000 0.973 334 K CB -0.208 32.299 32.500 0.011 0.000 0.767 334 K HN 0.210 nan 8.250 nan 0.000 0.475 335 L N 1.546 122.765 121.223 -0.007 0.000 2.330 335 L HA 0.335 4.685 4.340 0.015 0.000 0.271 335 L C -0.160 176.717 176.870 0.012 0.000 1.013 335 L CA -1.108 53.736 54.840 0.007 0.000 0.816 335 L CB 1.841 43.910 42.059 0.017 0.000 1.287 335 L HN 0.083 nan 8.230 nan 0.000 0.435 336 E N 0.579 120.792 120.200 0.022 0.000 2.360 336 E HA 0.468 4.827 4.350 0.015 0.000 0.269 336 E C -0.473 176.161 176.600 0.057 0.000 1.022 336 E CA -0.155 56.266 56.400 0.035 0.000 0.887 336 E CB 0.906 30.627 29.700 0.034 0.000 0.990 336 E HN 0.738 nan 8.360 nan 0.000 0.426 337 G N 3.720 112.560 108.800 0.067 0.000 2.552 337 G HA2 0.112 4.082 3.960 0.015 0.000 0.288 337 G HA3 0.112 4.082 3.960 0.015 0.000 0.288 337 G C -1.550 173.400 174.900 0.084 0.000 1.358 337 G CA -0.845 44.316 45.100 0.102 0.000 1.305 337 G HN 0.610 nan 8.290 nan 0.000 0.602 338 D N 1.567 122.035 120.400 0.113 0.000 2.351 338 D HA 0.218 4.867 4.640 0.015 0.000 0.251 338 D C 1.477 177.791 176.300 0.023 0.000 1.137 338 D CA -0.326 53.723 54.000 0.081 0.000 0.879 338 D CB 1.543 42.420 40.800 0.128 0.000 1.181 338 D HN 0.351 nan 8.370 nan 0.000 0.448 339 K N 3.466 123.857 120.400 -0.013 0.000 2.026 339 K HA -0.141 4.188 4.320 0.015 0.000 0.208 339 K C 1.757 178.290 176.600 -0.110 0.000 1.048 339 K CA 1.586 57.827 56.287 -0.076 0.000 0.929 339 K CB -0.224 32.237 32.500 -0.065 0.000 0.713 339 K HN 0.457 nan 8.250 nan 0.000 0.439 340 A N 0.191 122.972 122.820 -0.065 0.000 1.877 340 A HA -0.152 4.177 4.320 0.015 0.000 0.216 340 A C 2.338 179.874 177.584 -0.080 0.000 1.186 340 A CA 2.125 54.120 52.037 -0.071 0.000 0.620 340 A CB -1.086 17.892 19.000 -0.037 0.000 0.822 340 A HN 0.402 nan 8.150 nan 0.000 0.443 341 S N -0.863 114.823 115.700 -0.023 0.000 2.359 341 S HA -0.145 4.334 4.470 0.015 0.000 0.224 341 S C 2.123 176.569 174.600 -0.257 0.000 1.035 341 S CA 1.999 60.222 58.200 0.037 0.000 1.018 341 S CB -0.485 62.874 63.200 0.267 0.000 0.876 341 S HN 0.711 nan 8.310 nan 0.000 0.448 342 T N 2.619 116.907 114.554 -0.445 0.000 2.746 342 T HA 0.014 4.373 4.350 0.015 0.000 0.267 342 T C 1.732 175.995 174.700 -0.728 0.000 1.039 342 T CA 1.058 62.566 62.100 -0.985 0.000 1.142 342 T CB -0.373 68.240 68.868 -0.426 0.000 0.866 342 T HN 0.276 nan 8.240 nan 0.000 0.444 343 L N 0.626 121.615 121.223 -0.391 0.000 2.131 343 L HA -0.033 4.317 4.340 0.015 0.000 0.210 343 L C 2.942 179.705 176.870 -0.179 0.000 1.092 343 L CA 1.259 55.941 54.840 -0.263 0.000 0.759 343 L CB -0.973 40.965 42.059 -0.202 0.000 0.903 343 L HN 0.353 nan 8.230 nan 0.000 0.435 344 G N 1.026 109.728 108.800 -0.164 0.000 2.433 344 G HA2 -0.305 3.664 3.960 0.015 0.000 0.216 344 G HA3 -0.305 3.664 3.960 0.015 0.000 0.216 344 G C 1.274 176.228 174.900 0.090 0.000 1.186 344 G CA 0.967 46.050 45.100 -0.028 0.000 0.779 344 G HN 0.480 nan 8.290 nan 0.000 0.543 345 F N 0.459 120.497 119.950 0.148 0.000 2.615 345 F HA 0.310 4.847 4.527 0.016 0.000 0.297 345 F C 2.093 177.984 175.800 0.152 0.000 1.124 345 F CA -0.234 57.870 58.000 0.174 0.000 1.451 345 F CB -0.757 38.394 39.000 0.252 0.000 1.103 345 F HN -0.016 nan 8.300 nan 0.000 0.569 346 V N 1.196 121.232 119.914 0.203 0.000 2.358 346 V HA -0.241 3.888 4.120 0.015 0.000 0.246 346 V C 2.071 178.243 176.094 0.130 0.000 1.047 346 V CA 2.270 64.689 62.300 0.198 0.000 1.035 346 V CB -0.640 31.244 31.823 0.102 0.000 0.658 346 V HN 0.227 nan 8.190 nan 0.000 0.452 347 D N 0.014 120.469 120.400 0.091 0.000 2.144 347 D HA -0.102 4.547 4.640 0.015 0.000 0.199 347 D C 2.108 178.482 176.300 0.124 0.000 0.984 347 D CA 1.094 55.145 54.000 0.085 0.000 0.834 347 D CB -0.218 40.622 40.800 0.066 0.000 0.955 347 D HN 0.328 nan 8.370 nan 0.000 0.465 348 L N 0.467 121.804 121.223 0.191 0.000 2.131 348 L HA -0.099 4.250 4.340 0.015 0.000 0.210 348 L C 2.396 179.324 176.870 0.097 0.000 1.092 348 L CA 0.886 55.889 54.840 0.272 0.000 0.759 348 L CB -0.396 41.864 42.059 0.334 0.000 0.903 348 L HN 0.159 nan 8.230 nan 0.000 0.435 349 M N -2.633 116.983 119.600 0.025 0.000 2.502 349 M HA 0.054 4.543 4.480 0.015 0.000 0.243 349 M C 1.905 178.079 176.300 -0.210 0.000 1.130 349 M CA 1.042 56.248 55.300 -0.156 0.000 1.055 349 M CB 0.160 32.734 32.600 -0.044 0.000 1.457 349 M HN -0.002 nan 8.290 nan 0.000 0.488 350 R N 0.418 120.851 120.500 -0.111 0.000 2.164 350 R HA 0.267 4.616 4.340 0.015 0.000 0.198 350 R C 0.367 176.613 176.300 -0.090 0.000 1.028 350 R CA 0.203 56.252 56.100 -0.086 0.000 1.083 350 R CB 0.499 30.796 30.300 -0.004 0.000 1.026 350 R HN 0.335 nan 8.270 nan 0.000 0.514 351 E N 0.503 120.683 120.200 -0.035 0.000 2.322 351 E HA 0.002 4.361 4.350 0.015 0.000 0.257 351 E C -0.078 176.577 176.600 0.091 0.000 1.155 351 E CA 0.154 56.580 56.400 0.043 0.000 0.936 351 E CB 1.061 30.821 29.700 0.100 0.000 1.130 351 E HN 0.012 nan 8.360 nan 0.000 0.465 352 D N -1.124 119.385 120.400 0.182 0.000 2.355 352 D HA -0.073 4.576 4.640 0.015 0.000 0.206 352 D C -0.329 176.217 176.300 0.409 0.000 1.010 352 D CA 0.574 54.747 54.000 0.289 0.000 0.875 352 D CB 0.462 41.381 40.800 0.198 0.000 0.966 352 D HN 0.279 nan 8.370 nan 0.000 0.512 353 H N -0.251 118.951 119.070 0.220 0.000 3.017 353 H HA 0.367 4.932 4.556 0.015 0.000 0.340 353 H C -1.682 173.733 175.328 0.145 0.000 1.014 353 H CA -0.636 55.509 56.048 0.161 0.000 1.341 353 H CB 0.548 30.368 29.762 0.097 0.000 1.739 353 H HN -0.135 nan 8.280 nan 0.000 0.506 354 I N 4.796 125.190 120.570 -0.292 0.000 2.439 354 I HA 0.123 4.302 4.170 0.015 0.000 0.285 354 I C 0.185 176.149 176.117 -0.256 0.000 1.021 354 I CA -0.546 60.676 61.300 -0.131 0.000 1.091 354 I CB 1.608 39.640 38.000 0.053 0.000 1.242 354 I HN 0.390 nan 8.210 nan 0.000 0.439 355 E N 3.978 124.093 120.200 -0.142 0.000 2.392 355 E HA 0.333 4.692 4.350 0.015 0.000 0.264 355 E C 0.148 176.726 176.600 -0.036 0.000 1.024 355 E CA -0.213 56.150 56.400 -0.061 0.000 0.903 355 E CB 1.139 30.866 29.700 0.043 0.000 0.963 355 E HN 0.664 nan 8.360 nan 0.000 0.432 356 A N 2.950 125.756 122.820 -0.023 0.000 2.565 356 A HA 0.025 4.354 4.320 0.015 0.000 0.237 356 A C 0.115 177.658 177.584 -0.069 0.000 1.053 356 A CA 0.398 52.413 52.037 -0.038 0.000 0.755 356 A CB 0.113 19.093 19.000 -0.033 0.000 0.980 356 A HN 0.498 nan 8.150 nan 0.000 0.506 357 D N 1.035 121.369 120.400 -0.111 0.000 2.312 357 D HA 0.185 4.834 4.640 0.015 0.000 0.229 357 D C 0.800 176.982 176.300 -0.197 0.000 1.337 357 D CA -0.528 53.397 54.000 -0.124 0.000 0.964 357 D CB 0.477 41.231 40.800 -0.076 0.000 1.456 357 D HN 0.388 nan 8.370 nan 0.000 0.547 358 R N 1.024 121.362 120.500 -0.271 0.000 2.189 358 R HA -0.046 4.303 4.340 0.015 0.000 0.223 358 R C 1.727 177.872 176.300 -0.259 0.000 1.092 358 R CA 1.044 56.900 56.100 -0.406 0.000 0.989 358 R CB -0.385 29.649 30.300 -0.442 0.000 0.876 358 R HN 0.491 nan 8.270 nan 0.000 0.457 359 S N 0.183 115.787 115.700 -0.161 0.000 2.481 359 S HA -0.013 4.467 4.470 0.015 0.000 0.231 359 S C 1.552 176.100 174.600 -0.086 0.000 0.996 359 S CA 0.480 58.618 58.200 -0.104 0.000 0.942 359 S CB 0.052 63.206 63.200 -0.077 0.000 0.768 359 S HN 0.252 nan 8.310 nan 0.000 0.520 360 R N 0.110 120.552 120.500 -0.097 0.000 2.543 360 R HA 0.318 4.667 4.340 0.015 0.000 0.323 360 R C 1.146 177.412 176.300 -0.056 0.000 1.002 360 R CA 0.335 56.394 56.100 -0.068 0.000 1.106 360 R CB 0.503 30.766 30.300 -0.062 0.000 1.280 360 R HN 0.523 nan 8.270 nan 0.000 0.549 361 G N 1.061 109.793 108.800 -0.114 0.000 2.143 361 G HA2 -0.249 3.720 3.960 0.015 0.000 0.249 361 G HA3 -0.249 3.720 3.960 0.015 0.000 0.249 361 G C 0.123 175.003 174.900 -0.032 0.000 0.981 361 G CA 0.094 45.136 45.100 -0.097 0.000 0.665 361 G HN 0.143 nan 8.290 nan 0.000 0.528 362 V N 1.615 121.477 119.914 -0.087 0.000 2.339 362 V HA 0.455 4.584 4.120 0.015 0.000 0.261 362 V C 1.372 177.396 176.094 -0.117 0.000 1.058 362 V CA -0.295 62.004 62.300 -0.002 0.000 0.897 362 V CB 0.281 32.110 31.823 0.011 0.000 1.052 362 V HN 0.216 nan 8.190 nan 0.000 0.480 363 F N 3.397 123.195 119.950 -0.253 0.000 2.293 363 F HA 0.217 4.753 4.527 0.015 0.000 0.297 363 F C 0.738 176.214 175.800 -0.539 0.000 1.089 363 F CA 0.851 58.560 58.000 -0.486 0.000 1.377 363 F CB -0.018 38.510 39.000 -0.787 0.000 1.051 363 F HN 0.311 nan 8.300 nan 0.000 0.511 364 F N -1.200 118.854 119.950 0.174 0.000 2.546 364 F HA 0.383 4.919 4.527 0.015 0.000 0.320 364 F C 0.445 176.248 175.800 0.004 0.000 1.076 364 F CA -1.725 56.324 58.000 0.083 0.000 0.928 364 F CB 0.691 39.731 39.000 0.066 0.000 1.189 364 F HN -0.526 nan 8.300 nan 0.000 0.465 365 T N 1.920 116.572 114.554 0.163 0.000 2.853 365 T HA 0.220 4.580 4.350 0.015 0.000 0.298 365 T C -0.375 174.301 174.700 -0.041 0.000 0.978 365 T CA -0.003 62.098 62.100 0.003 0.000 1.152 365 T CB 0.472 69.332 68.868 -0.015 0.000 0.914 365 T HN 0.419 nan 8.240 nan 0.000 0.539 366 Q N 2.839 122.559 119.800 -0.133 0.000 2.331 366 Q HA 0.330 4.679 4.340 0.015 0.000 0.267 366 Q C -1.220 174.612 176.000 -0.280 0.000 1.006 366 Q CA -0.509 55.167 55.803 -0.212 0.000 0.818 366 Q CB 1.100 29.736 28.738 -0.169 0.000 1.276 366 Q HN 0.525 nan 8.270 nan 0.000 0.450 367 D N 2.690 122.916 120.400 -0.291 0.000 2.252 367 D HA 0.249 4.898 4.640 0.015 0.000 0.245 367 D C -0.358 175.745 176.300 -0.329 0.000 1.009 367 D CA -0.169 53.749 54.000 -0.136 0.000 0.870 367 D CB 0.937 41.750 40.800 0.020 0.000 1.251 367 D HN 0.751 nan 8.370 nan 0.000 0.460 368 W N 0.312 121.641 121.300 0.049 0.000 2.714 368 W HA 0.300 4.969 4.660 0.015 0.000 0.353 368 W C 0.958 177.491 176.519 0.024 0.000 0.999 368 W CA -0.322 57.035 57.345 0.019 0.000 1.629 368 W CB 0.401 29.864 29.460 0.004 0.000 1.106 368 W HN 0.580 nan 8.180 nan 0.000 0.545 369 A N 0.779 123.722 122.820 0.204 0.000 2.704 369 A HA -0.237 4.092 4.320 0.015 0.000 0.299 369 A C 1.244 178.910 177.584 0.137 0.000 1.507 369 A CA 1.269 53.389 52.037 0.138 0.000 0.776 369 A CB -1.874 17.186 19.000 0.099 0.000 1.027 369 A HN 0.701 nan 8.150 nan 0.000 0.475 370 S N -3.382 112.409 115.700 0.152 0.000 3.361 370 S HA -0.257 4.222 4.470 0.015 0.000 0.288 370 S C 0.325 174.978 174.600 0.089 0.000 1.269 370 S CA 1.360 59.623 58.200 0.106 0.000 0.976 370 S CB -1.961 61.283 63.200 0.074 0.000 1.162 370 S HN 1.817 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 0.186 4.676 4.480 0.015 0.000 0.350 371 M C -2.236 174.046 176.300 -0.029 0.000 1.406 371 M CA -1.239 54.102 55.300 0.068 0.000 1.089 371 M CB 0.395 33.079 32.600 0.140 0.000 1.782 371 M HN -0.135 nan 8.290 nan 0.000 0.457 372 P HA 0.061 nan 4.420 nan 0.000 0.267 372 P C -0.351 176.852 177.300 -0.162 0.000 1.201 372 P CA -0.011 63.045 63.100 -0.073 0.000 0.775 372 P CB 0.325 31.995 31.700 -0.049 0.000 0.854 373 G N 0.648 109.365 108.800 -0.138 0.000 2.562 373 G HA2 0.453 4.422 3.960 0.015 0.000 0.275 373 G HA3 0.453 4.422 3.960 0.015 0.000 0.275 373 G C -0.932 173.883 174.900 -0.142 0.000 1.196 373 G CA -0.424 44.563 45.100 -0.188 0.000 0.908 373 G HN 0.375 nan 8.290 nan 0.000 0.524 374 V N 0.904 120.725 119.914 -0.155 0.000 2.459 374 V HA 0.289 4.418 4.120 0.015 0.000 0.295 374 V C 0.343 176.405 176.094 -0.053 0.000 1.029 374 V CA -0.668 61.570 62.300 -0.104 0.000 0.874 374 V CB 1.639 33.370 31.823 -0.154 0.000 0.985 374 V HN 0.567 nan 8.190 nan 0.000 0.438 375 L N 7.850 129.063 121.223 -0.017 0.000 2.418 375 L HA 0.259 4.609 4.340 0.015 0.000 0.274 375 L C -1.917 174.899 176.870 -0.090 0.000 1.135 375 L CA -1.307 53.498 54.840 -0.058 0.000 0.870 375 L CB 1.235 43.213 42.059 -0.134 0.000 1.154 375 L HN 0.438 nan 8.230 nan 0.000 0.462 376 P HA 0.071 nan 4.420 nan 0.000 0.276 376 P C -0.884 176.261 177.300 -0.259 0.000 1.230 376 P CA -0.159 62.886 63.100 -0.092 0.000 0.776 376 P CB 1.352 33.067 31.700 0.026 0.000 0.888 377 V N 3.152 122.880 119.914 -0.311 0.000 2.350 377 V HA 0.484 4.614 4.120 0.015 0.000 0.285 377 V C 0.462 176.230 176.094 -0.543 0.000 1.014 377 V CA -0.840 61.198 62.300 -0.438 0.000 0.831 377 V CB 1.231 32.778 31.823 -0.460 0.000 1.000 377 V HN 0.676 nan 8.190 nan 0.000 0.433 378 A N 3.878 126.326 122.820 -0.619 0.000 2.269 378 A HA 0.800 5.129 4.320 0.015 0.000 0.302 378 A C 0.091 177.401 177.584 -0.456 0.000 1.266 378 A CA -0.173 51.511 52.037 -0.589 0.000 0.894 378 A CB 0.891 19.425 19.000 -0.776 0.000 1.147 378 A HN 0.824 nan 8.150 nan 0.000 0.537 379 S N 1.610 117.106 115.700 -0.339 0.000 2.533 379 S HA 0.750 5.230 4.470 0.015 0.000 0.271 379 S C -0.517 173.993 174.600 -0.150 0.000 1.143 379 S CA 0.373 58.413 58.200 -0.265 0.000 0.891 379 S CB 1.330 64.422 63.200 -0.180 0.000 1.105 379 S HN 2.562 nan 8.310 nan 0.000 0.468 380 G N 1.723 110.431 108.800 -0.153 0.000 3.152 380 G HA2 0.449 4.418 3.960 0.015 0.000 0.666 380 G HA3 0.449 4.418 3.960 0.015 0.000 0.666 380 G C 0.817 175.656 174.900 -0.103 0.000 1.205 380 G CA 0.296 45.348 45.100 -0.080 0.000 1.178 380 G HN 2.121 nan 8.290 nan 0.000 0.510 381 G N 0.288 109.040 108.800 -0.080 0.000 2.160 381 G HA2 -0.027 3.943 3.960 0.015 0.000 0.251 381 G HA3 -0.027 3.943 3.960 0.015 0.000 0.251 381 G C 0.604 175.465 174.900 -0.064 0.000 1.008 381 G CA 0.980 46.051 45.100 -0.049 0.000 0.724 381 G HN 2.288 nan 8.290 nan 0.000 0.514 382 I N -1.962 118.542 120.570 -0.110 0.000 2.525 382 I HA 0.943 5.122 4.170 0.015 0.000 0.301 382 I C 0.226 176.506 176.117 0.272 0.000 0.992 382 I CA -1.375 59.918 61.300 -0.011 0.000 1.162 382 I CB 1.575 39.452 38.000 -0.206 0.000 1.332 382 I HN 0.303 nan 8.210 nan 0.000 0.458 383 H N 1.794 121.201 119.070 0.561 0.000 3.038 383 H HA 0.500 5.065 4.556 0.015 0.000 0.289 383 H C 0.715 176.175 175.328 0.221 0.000 1.510 383 H CA -0.425 55.775 56.048 0.253 0.000 1.227 383 H CB 0.441 30.191 29.762 -0.020 0.000 1.880 383 H HN 0.326 nan 8.280 nan 0.000 0.594 384 V N -2.977 117.078 119.914 0.235 0.000 2.380 384 V HA -0.245 3.884 4.120 0.015 0.000 0.251 384 V C 1.430 177.517 176.094 -0.012 0.000 1.063 384 V CA 1.811 64.084 62.300 -0.046 0.000 1.055 384 V CB -1.292 30.395 31.823 -0.227 0.000 0.657 384 V HN 0.781 nan 8.190 nan 0.000 0.455 385 W N -0.243 121.163 121.300 0.177 0.000 2.468 385 W HA -0.014 4.655 4.660 0.015 0.000 0.262 385 W C 2.601 179.065 176.519 -0.091 0.000 1.241 385 W CA 1.180 58.538 57.345 0.021 0.000 1.232 385 W CB -0.454 29.044 29.460 0.064 0.000 1.124 385 W HN 0.356 nan 8.180 nan 0.000 0.597 386 H N -0.982 118.220 119.070 0.219 0.000 2.548 386 H HA 0.003 4.569 4.556 0.015 0.000 0.268 386 H C 1.902 177.321 175.328 0.151 0.000 0.975 386 H CA 1.004 57.126 56.048 0.124 0.000 1.195 386 H CB -0.397 29.380 29.762 0.024 0.000 1.397 386 H HN 0.178 nan 8.280 nan 0.000 0.572 387 M N 1.696 121.439 119.600 0.238 0.000 2.080 387 M HA -0.081 4.408 4.480 0.015 0.000 0.260 387 M C -0.917 175.479 176.300 0.160 0.000 1.068 387 M CA 1.603 57.019 55.300 0.193 0.000 1.109 387 M CB -0.866 31.780 32.600 0.076 0.000 1.342 387 M HN 0.065 nan 8.290 nan 0.000 0.405 388 P HA -0.017 nan 4.420 nan 0.000 0.217 388 P C 1.056 178.439 177.300 0.137 0.000 1.151 388 P CA 2.021 65.174 63.100 0.089 0.000 0.828 388 P CB -0.359 31.351 31.700 0.017 0.000 0.788 389 A N 0.160 123.075 122.820 0.158 0.000 1.898 389 A HA -0.121 4.208 4.320 0.015 0.000 0.216 389 A C 2.387 180.114 177.584 0.238 0.000 1.181 389 A CA 1.290 53.466 52.037 0.232 0.000 0.620 389 A CB -1.602 17.522 19.000 0.208 0.000 0.819 389 A HN 0.099 nan 8.150 nan 0.000 0.442 390 L N -0.508 120.862 121.223 0.245 0.000 2.046 390 L HA -0.164 4.185 4.340 0.015 0.000 0.208 390 L C 2.508 179.564 176.870 0.310 0.000 1.077 390 L CA 1.145 56.175 54.840 0.316 0.000 0.747 390 L CB -0.602 41.631 42.059 0.289 0.000 0.896 390 L HN 0.243 nan 8.230 nan 0.000 0.432 391 V N -0.104 119.949 119.914 0.232 0.000 2.427 391 V HA -0.272 3.857 4.120 0.015 0.000 0.248 391 V C 2.477 178.671 176.094 0.166 0.000 1.051 391 V CA 1.941 64.355 62.300 0.191 0.000 1.048 391 V CB -0.436 31.478 31.823 0.151 0.000 0.666 391 V HN 0.471 nan 8.190 nan 0.000 0.456 392 E N 0.613 120.936 120.200 0.204 0.000 2.051 392 E HA -0.207 4.152 4.350 0.015 0.000 0.192 392 E C 2.026 178.611 176.600 -0.025 0.000 0.991 392 E CA 1.868 58.373 56.400 0.176 0.000 0.799 392 E CB -0.274 29.772 29.700 0.576 0.000 0.748 392 E HN 0.591 nan 8.360 nan 0.000 0.449 393 I N -0.706 119.816 120.570 -0.080 0.000 2.233 393 I HA -0.177 4.003 4.170 0.015 0.000 0.243 393 I C 1.565 177.404 176.117 -0.464 0.000 1.093 393 I CA 0.964 62.040 61.300 -0.373 0.000 1.380 393 I CB -0.129 37.505 38.000 -0.611 0.000 1.067 393 I HN 0.132 nan 8.210 nan 0.000 0.413 394 F N 0.409 120.360 119.950 0.002 0.000 2.656 394 F HA 0.335 4.871 4.527 0.016 0.000 0.291 394 F C 1.597 177.399 175.800 0.004 0.000 1.122 394 F CA 0.547 58.543 58.000 -0.006 0.000 1.427 394 F CB -0.601 38.394 39.000 -0.009 0.000 1.125 394 F HN 0.146 nan 8.300 nan 0.000 0.583 395 G N 0.710 109.602 108.800 0.154 0.000 2.645 395 G HA2 -0.288 3.681 3.960 0.015 0.000 0.239 395 G HA3 -0.288 3.681 3.960 0.015 0.000 0.239 395 G C 0.309 175.281 174.900 0.120 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 0.042 4.691 4.640 0.015 0.000 0.203 396 D C 0.911 177.254 176.300 0.073 0.000 0.969 396 D CA 1.254 55.303 54.000 0.081 0.000 0.842 396 D CB -0.091 40.754 40.800 0.074 0.000 0.957 396 D HN 0.370 nan 8.370 nan 0.000 0.484 397 D N 0.757 121.200 120.400 0.072 0.000 2.619 397 D HA 0.172 4.822 4.640 0.015 0.000 0.224 397 D C -0.090 176.233 176.300 0.037 0.000 1.133 397 D CA 0.069 54.100 54.000 0.053 0.000 1.017 397 D CB 0.018 40.849 40.800 0.052 0.000 1.077 397 D HN 0.011 nan 8.370 nan 0.000 0.503 398 S N -1.282 114.422 115.700 0.007 0.000 2.588 398 S HA 0.602 5.081 4.470 0.015 0.000 0.269 398 S C -0.967 173.575 174.600 -0.098 0.000 1.157 398 S CA -0.900 57.260 58.200 -0.067 0.000 0.824 398 S CB 1.739 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 1.758 121.561 119.914 -0.186 0.000 2.448 399 V HA 0.522 4.651 4.120 0.015 0.000 0.295 399 V C -0.766 175.215 176.094 -0.189 0.000 1.025 399 V CA -0.639 61.584 62.300 -0.127 0.000 0.859 399 V CB 1.196 32.925 31.823 -0.157 0.000 0.988 399 V HN 0.820 nan 8.190 nan 0.000 0.431 400 L N 5.051 126.213 121.223 -0.100 0.000 2.296 400 L HA 0.617 4.966 4.340 0.015 0.000 0.286 400 L C -0.239 176.496 176.870 -0.226 0.000 1.023 400 L CA -0.401 54.323 54.840 -0.193 0.000 0.812 400 L CB 1.436 43.497 42.059 0.004 0.000 1.223 400 L HN 0.601 nan 8.230 nan 0.000 0.421 401 Q N 3.424 122.925 119.800 -0.499 0.000 2.333 401 Q HA 0.556 4.905 4.340 0.015 0.000 0.267 401 Q C -1.578 174.030 176.000 -0.654 0.000 1.012 401 Q CA -0.526 55.056 55.803 -0.368 0.000 0.824 401 Q CB 2.766 31.377 28.738 -0.212 0.000 1.290 401 Q HN 0.410 nan 8.270 nan 0.000 0.449 402 F N 0.670 120.585 119.950 -0.058 0.000 2.513 402 F HA 0.359 4.895 4.527 0.015 0.000 0.358 402 F C 0.830 176.588 175.800 -0.071 0.000 1.118 402 F CA -0.653 57.303 58.000 -0.075 0.000 1.037 402 F CB 1.399 40.353 39.000 -0.076 0.000 1.276 402 F HN 0.746 nan 8.300 nan 0.000 0.446 403 G N 1.570 110.388 108.800 0.029 0.000 2.655 403 G HA2 0.069 4.038 3.960 0.015 0.000 0.217 403 G HA3 0.069 4.038 3.960 0.015 0.000 0.217 403 G C 1.752 176.663 174.900 0.018 0.000 1.279 403 G CA 0.599 45.712 45.100 0.022 0.000 0.870 403 G HN 0.759 nan 8.290 nan 0.000 0.560 404 G N 0.601 109.394 108.800 -0.012 0.000 2.462 404 G HA2 0.091 4.060 3.960 0.015 0.000 0.220 404 G HA3 0.091 4.060 3.960 0.015 0.000 0.220 404 G C 1.623 176.428 174.900 -0.159 0.000 1.121 404 G CA 1.307 46.388 45.100 -0.031 0.000 0.758 404 G HN 0.682 nan 8.290 nan 0.000 0.559 405 G N -0.781 107.884 108.800 -0.224 0.000 2.776 405 G HA2 0.168 4.137 3.960 0.015 0.000 0.209 405 G HA3 0.168 4.137 3.960 0.015 0.000 0.209 405 G C 1.390 176.238 174.900 -0.087 0.000 1.145 405 G CA 1.449 46.304 45.100 -0.408 0.000 0.791 405 G HN 0.397 nan 8.290 nan 0.000 0.530 406 T N 0.172 114.753 114.554 0.044 0.000 3.114 406 T HA 0.097 4.456 4.350 0.015 0.000 0.240 406 T C 1.992 176.774 174.700 0.136 0.000 0.983 406 T CA -0.078 62.073 62.100 0.085 0.000 1.151 406 T CB -0.022 68.876 68.868 0.049 0.000 0.974 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.521 122.808 121.223 0.106 0.000 2.465 407 L HA 0.261 4.610 4.340 0.015 0.000 0.224 407 L C 2.259 179.238 176.870 0.182 0.000 1.145 407 L CA 0.914 55.819 54.840 0.110 0.000 0.834 407 L CB -0.314 41.781 42.059 0.060 0.000 0.944 407 L HN 0.367 nan 8.230 nan 0.000 0.451 408 G N -3.030 105.942 108.800 0.287 0.000 3.189 408 G HA2 -0.104 3.865 3.960 0.015 0.000 0.225 408 G HA3 -0.104 3.865 3.960 0.015 0.000 0.225 408 G C 0.506 175.699 174.900 0.487 0.000 1.159 408 G CA -0.308 45.047 45.100 0.424 0.000 0.763 408 G HN 0.297 nan 8.290 nan 0.000 0.549 409 H N 2.468 121.741 119.070 0.338 0.000 3.253 409 H HA 0.056 4.621 4.556 0.015 0.000 0.250 409 H C -0.974 174.319 175.328 -0.059 0.000 1.051 409 H CA -1.291 54.798 56.048 0.070 0.000 1.458 409 H CB 1.355 31.136 29.762 0.031 0.000 1.549 409 H HN 0.058 nan 8.280 nan 0.000 0.506 410 P HA -0.247 nan 4.420 nan 0.000 0.224 410 P C 0.602 178.021 177.300 0.198 0.000 1.154 410 P CA 1.444 64.463 63.100 -0.136 0.000 0.847 410 P CB -0.089 31.464 31.700 -0.245 0.000 0.769 411 W N -0.728 120.550 121.300 -0.038 0.000 3.127 411 W HA 0.526 5.195 4.660 0.015 0.000 0.344 411 W C 1.320 177.878 176.519 0.064 0.000 1.151 411 W CA 0.536 57.898 57.345 0.027 0.000 1.765 411 W CB -0.500 28.996 29.460 0.061 0.000 1.085 411 W HN 0.118 nan 8.180 nan 0.000 0.596 412 G N 0.940 109.899 108.800 0.265 0.000 2.447 412 G HA2 -0.284 3.686 3.960 0.015 0.000 0.220 412 G HA3 -0.284 3.686 3.960 0.015 0.000 0.220 412 G C 0.620 175.622 174.900 0.169 0.000 1.261 412 G CA -0.065 45.145 45.100 0.183 0.000 1.000 412 G HN -0.025 nan 8.290 nan 0.000 0.515 413 N N 0.087 118.849 118.700 0.103 0.000 2.109 413 N HA 0.144 4.893 4.740 0.015 0.000 0.188 413 N C 2.707 178.221 175.510 0.008 0.000 1.034 413 N CA 2.577 55.661 53.050 0.057 0.000 0.846 413 N CB -0.701 37.804 38.487 0.029 0.000 1.010 413 N HN 1.058 nan 8.380 nan 0.000 0.425 414 A N 1.523 124.347 122.820 0.007 0.000 1.902 414 A HA -0.043 4.286 4.320 0.015 0.000 0.217 414 A C -0.365 177.177 177.584 -0.070 0.000 1.181 414 A CA 1.318 53.332 52.037 -0.039 0.000 0.623 414 A CB -1.486 17.506 19.000 -0.012 0.000 0.818 414 A HN 0.249 nan 8.150 nan 0.000 0.443 415 P HA -0.060 nan 4.420 nan 0.000 0.219 415 P C 1.743 178.564 177.300 -0.799 0.000 1.150 415 P CA 1.680 64.694 63.100 -0.145 0.000 0.814 415 P CB -0.509 31.348 31.700 0.263 0.000 0.787 416 G N 0.660 109.192 108.800 -0.446 0.000 2.440 416 G HA2 -0.249 3.720 3.960 0.015 0.000 0.218 416 G HA3 -0.249 3.720 3.960 0.015 0.000 0.218 416 G C 1.748 176.466 174.900 -0.302 0.000 1.154 416 G CA 1.091 45.997 45.100 -0.323 0.000 0.767 416 G HN 0.343 nan 8.290 nan 0.000 0.552 417 A N 0.081 122.776 122.820 -0.208 0.000 1.898 417 A HA 0.013 4.343 4.320 0.015 0.000 0.216 417 A C 2.516 179.981 177.584 -0.199 0.000 1.181 417 A CA 2.372 54.311 52.037 -0.163 0.000 0.620 417 A CB -0.935 17.983 19.000 -0.137 0.000 0.819 417 A HN 0.278 nan 8.150 nan 0.000 0.442 418 T N 0.240 114.653 114.554 -0.236 0.000 2.746 418 T HA -0.029 4.330 4.350 0.015 0.000 0.267 418 T C 2.205 176.761 174.700 -0.240 0.000 1.039 418 T CA 1.522 63.505 62.100 -0.196 0.000 1.142 418 T CB -0.442 68.335 68.868 -0.151 0.000 0.866 418 T HN 0.597 nan 8.240 nan 0.000 0.444 419 A N 2.000 124.586 122.820 -0.391 0.000 1.883 419 A HA -0.211 4.118 4.320 0.015 0.000 0.217 419 A C 2.126 179.577 177.584 -0.222 0.000 1.186 419 A CA 2.207 54.064 52.037 -0.300 0.000 0.624 419 A CB -0.930 17.919 19.000 -0.251 0.000 0.822 419 A HN 0.626 nan 8.150 nan 0.000 0.444 420 N N -1.334 117.240 118.700 -0.211 0.000 2.142 420 N HA -0.150 4.600 4.740 0.015 0.000 0.186 420 N C 1.962 177.362 175.510 -0.184 0.000 1.023 420 N CA 1.310 54.222 53.050 -0.231 0.000 0.852 420 N CB -0.140 38.227 38.487 -0.200 0.000 0.998 420 N HN 0.432 nan 8.380 nan 0.000 0.424 421 R N 1.119 121.535 120.500 -0.141 0.000 2.081 421 R HA -0.003 4.346 4.340 0.015 0.000 0.235 421 R C 1.688 177.945 176.300 -0.071 0.000 1.131 421 R CA 1.054 57.097 56.100 -0.095 0.000 0.960 421 R CB -0.718 29.533 30.300 -0.082 0.000 0.856 421 R HN 0.029 nan 8.270 nan 0.000 0.436 422 V N 0.757 120.619 119.914 -0.086 0.000 2.307 422 V HA -0.168 3.961 4.120 0.015 0.000 0.245 422 V C 2.347 178.389 176.094 -0.087 0.000 1.045 422 V CA 1.890 64.158 62.300 -0.052 0.000 1.024 422 V CB -0.933 30.802 31.823 -0.147 0.000 0.651 422 V HN 0.536 nan 8.190 nan 0.000 0.449 423 A N -0.191 122.533 122.820 -0.161 0.000 1.908 423 A HA -0.230 4.099 4.320 0.015 0.000 0.218 423 A C 2.175 179.694 177.584 -0.109 0.000 1.181 423 A CA 2.279 54.213 52.037 -0.171 0.000 0.627 423 A CB -0.580 18.274 19.000 -0.243 0.000 0.818 423 A HN 0.478 nan 8.150 nan 0.000 0.445 424 L N -0.068 121.096 121.223 -0.099 0.000 2.005 424 L HA -0.129 4.220 4.340 0.015 0.000 0.207 424 L C 2.226 179.089 176.870 -0.012 0.000 1.072 424 L CA 2.445 57.257 54.840 -0.048 0.000 0.744 424 L CB -0.607 41.425 42.059 -0.044 0.000 0.895 424 L HN 0.494 nan 8.230 nan 0.000 0.433 425 E N -0.280 119.918 120.200 -0.002 0.000 2.153 425 E HA -0.199 4.160 4.350 0.015 0.000 0.194 425 E C 2.131 178.760 176.600 0.048 0.000 0.988 425 E CA 1.001 57.416 56.400 0.026 0.000 0.811 425 E CB -0.276 29.448 29.700 0.041 0.000 0.746 425 E HN 0.678 nan 8.360 nan 0.000 0.466 426 A N 0.845 123.699 122.820 0.057 0.000 1.902 426 A HA -0.187 4.142 4.320 0.015 0.000 0.217 426 A C 2.424 180.033 177.584 0.042 0.000 1.181 426 A CA 1.155 53.236 52.037 0.074 0.000 0.623 426 A CB -0.756 18.282 19.000 0.063 0.000 0.818 426 A HN 0.336 nan 8.150 nan 0.000 0.443 427 C N -1.448 117.865 119.300 0.021 0.000 2.466 427 C HA -0.011 4.458 4.460 0.015 0.000 0.278 427 C C 2.741 177.754 174.990 0.038 0.000 1.288 427 C CA 0.898 59.933 59.018 0.027 0.000 1.722 427 C CB -1.114 26.641 27.740 0.025 0.000 2.017 427 C HN 0.453 nan 8.230 nan 0.000 0.488 428 V N 0.654 120.590 119.914 0.036 0.000 2.358 428 V HA -0.271 3.858 4.120 0.015 0.000 0.246 428 V C 2.525 178.643 176.094 0.039 0.000 1.047 428 V CA 2.137 64.460 62.300 0.039 0.000 1.035 428 V CB -0.880 30.963 31.823 0.032 0.000 0.658 428 V HN 0.622 nan 8.190 nan 0.000 0.452 429 Q N -0.006 119.817 119.800 0.038 0.000 2.061 429 Q HA -0.240 4.110 4.340 0.015 0.000 0.204 429 Q C 2.269 178.290 176.000 0.036 0.000 0.984 429 Q CA 2.198 58.023 55.803 0.036 0.000 0.846 429 Q CB -0.288 28.473 28.738 0.039 0.000 0.902 429 Q HN 0.620 nan 8.270 nan 0.000 0.421 430 A N 1.373 124.217 122.820 0.040 0.000 1.877 430 A HA -0.228 4.101 4.320 0.015 0.000 0.216 430 A C 2.157 179.765 177.584 0.039 0.000 1.186 430 A CA 1.571 53.631 52.037 0.039 0.000 0.620 430 A CB -0.775 18.249 19.000 0.040 0.000 0.822 430 A HN 0.455 nan 8.150 nan 0.000 0.443 431 R N -0.246 120.280 120.500 0.044 0.000 2.083 431 R HA -0.204 4.145 4.340 0.015 0.000 0.237 431 R C 1.654 177.978 176.300 0.041 0.000 1.137 431 R CA 2.033 58.161 56.100 0.047 0.000 0.951 431 R CB -0.429 29.903 30.300 0.053 0.000 0.851 431 R HN 0.508 nan 8.270 nan 0.000 0.434 432 N N 0.838 119.561 118.700 0.039 0.000 2.289 432 N HA -0.137 4.612 4.740 0.015 0.000 0.184 432 N C 1.099 176.625 175.510 0.027 0.000 1.016 432 N CA 1.232 54.302 53.050 0.033 0.000 0.872 432 N CB -0.066 38.441 38.487 0.033 0.000 0.973 432 N HN 0.450 nan 8.380 nan 0.000 0.433 433 E N -0.928 119.288 120.200 0.027 0.000 2.435 433 E HA 0.121 4.480 4.350 0.015 0.000 0.195 433 E C 0.738 177.352 176.600 0.024 0.000 1.029 433 E CA 0.366 56.779 56.400 0.023 0.000 0.865 433 E CB 0.167 29.881 29.700 0.022 0.000 0.833 433 E HN 0.418 nan 8.360 nan 0.000 0.510 434 G N 1.538 110.355 108.800 0.028 0.000 2.184 434 G HA2 -0.213 3.756 3.960 0.015 0.000 0.206 434 G HA3 -0.213 3.756 3.960 0.015 0.000 0.206 434 G C 0.109 175.030 174.900 0.034 0.000 0.995 434 G CA -0.523 44.594 45.100 0.029 0.000 0.651 434 G HN 0.026 nan 8.290 nan 0.000 0.511 435 R N 0.694 121.216 120.500 0.036 0.000 2.543 435 R HA 0.324 4.673 4.340 0.015 0.000 0.277 435 R C -0.616 175.715 176.300 0.050 0.000 1.074 435 R CA -0.349 55.775 56.100 0.040 0.000 1.076 435 R CB 0.682 31.005 30.300 0.038 0.000 0.993 435 R HN 0.247 nan 8.270 nan 0.000 0.459 436 D N 2.951 123.386 120.400 0.058 0.000 2.336 436 D HA 0.044 4.693 4.640 0.015 0.000 0.249 436 D C 1.127 177.481 176.300 0.089 0.000 1.213 436 D CA -0.087 53.961 54.000 0.080 0.000 0.870 436 D CB 0.699 41.554 40.800 0.092 0.000 1.076 436 D HN 0.410 nan 8.370 nan 0.000 0.483 437 L N 3.594 124.878 121.223 0.101 0.000 2.131 437 L HA -0.171 4.178 4.340 0.015 0.000 0.210 437 L C 1.708 178.650 176.870 0.119 0.000 1.092 437 L CA 0.853 55.752 54.840 0.099 0.000 0.759 437 L CB -0.445 41.678 42.059 0.107 0.000 0.903 437 L HN 0.570 nan 8.230 nan 0.000 0.435 438 Y N 0.808 121.133 120.300 0.042 0.000 2.133 438 Y HA -0.239 4.320 4.550 0.015 0.000 0.287 438 Y C 2.894 178.821 175.900 0.045 0.000 1.134 438 Y CA 1.716 59.841 58.100 0.042 0.000 1.133 438 Y CB -0.168 38.307 38.460 0.025 0.000 0.987 438 Y HN -0.019 nan 8.280 nan 0.000 0.502 439 R N 0.340 120.849 120.500 0.016 0.000 2.119 439 R HA -0.058 4.291 4.340 0.015 0.000 0.222 439 R C 1.121 177.390 176.300 -0.052 0.000 1.088 439 R CA 1.752 57.819 56.100 -0.055 0.000 0.984 439 R CB -0.104 30.240 30.300 0.073 0.000 0.884 439 R HN 0.470 nan 8.270 nan 0.000 0.447 440 E N -1.035 119.160 120.200 -0.007 0.000 2.498 440 E HA 0.107 4.466 4.350 0.015 0.000 0.203 440 E C 1.384 177.985 176.600 0.001 0.000 1.013 440 E CA 0.176 56.578 56.400 0.003 0.000 0.927 440 E CB 0.959 30.672 29.700 0.023 0.000 1.012 440 E HN 0.485 nan 8.360 nan 0.000 0.482 441 G N 1.621 110.417 108.800 -0.007 0.000 2.446 441 G HA2 -0.292 3.677 3.960 0.015 0.000 0.217 441 G HA3 -0.292 3.677 3.960 0.015 0.000 0.217 441 G C 1.517 176.411 174.900 -0.010 0.000 1.168 441 G CA 0.932 46.034 45.100 0.003 0.000 0.771 441 G HN 0.381 nan 8.290 nan 0.000 0.551 442 G N 0.659 109.466 108.800 0.011 0.000 2.440 442 G HA2 -0.187 3.782 3.960 0.015 0.000 0.218 442 G HA3 -0.187 3.782 3.960 0.015 0.000 0.218 442 G C 1.489 176.384 174.900 -0.009 0.000 1.154 442 G CA 1.358 46.481 45.100 0.038 0.000 0.767 442 G HN 0.360 nan 8.290 nan 0.000 0.552 443 D N 0.684 121.086 120.400 0.003 0.000 2.097 443 D HA -0.058 4.591 4.640 0.015 0.000 0.197 443 D C 2.590 178.877 176.300 -0.020 0.000 0.984 443 D CA 0.481 54.480 54.000 -0.001 0.000 0.826 443 D CB -0.202 40.605 40.800 0.011 0.000 0.973 443 D HN 0.363 nan 8.370 nan 0.000 0.460 444 I N 0.856 121.416 120.570 -0.017 0.000 2.248 444 I HA -0.260 3.920 4.170 0.015 0.000 0.248 444 I C 2.458 178.538 176.117 -0.063 0.000 1.107 444 I CA 0.805 62.096 61.300 -0.016 0.000 1.373 444 I CB -0.148 37.850 38.000 -0.003 0.000 1.055 444 I HN -0.023 nan 8.210 nan 0.000 0.418 445 L N -0.286 120.866 121.223 -0.119 0.000 2.072 445 L HA -0.165 4.185 4.340 0.015 0.000 0.205 445 L C 2.760 179.477 176.870 -0.255 0.000 1.079 445 L CA 1.092 55.800 54.840 -0.221 0.000 0.752 445 L CB -0.435 41.433 42.059 -0.318 0.000 0.906 445 L HN 0.093 nan 8.230 nan 0.000 0.436 446 R N 0.354 120.734 120.500 -0.200 0.000 2.083 446 R HA -0.171 4.178 4.340 0.015 0.000 0.237 446 R C 2.143 178.371 176.300 -0.120 0.000 1.137 446 R CA 1.394 57.402 56.100 -0.154 0.000 0.951 446 R CB -0.370 29.893 30.300 -0.063 0.000 0.851 446 R HN 0.378 nan 8.270 nan 0.000 0.434 447 E N -0.343 119.818 120.200 -0.065 0.000 2.033 447 E HA -0.254 4.105 4.350 0.015 0.000 0.199 447 E C 1.992 178.559 176.600 -0.054 0.000 1.011 447 E CA 1.541 57.942 56.400 0.001 0.000 0.815 447 E CB -0.270 29.466 29.700 0.059 0.000 0.755 447 E HN 0.430 nan 8.360 nan 0.000 0.451 448 A N 1.005 123.727 122.820 -0.163 0.000 1.972 448 A HA -0.078 4.251 4.320 0.015 0.000 0.219 448 A C 2.403 179.438 177.584 -0.915 0.000 1.169 448 A CA 1.538 53.250 52.037 -0.542 0.000 0.635 448 A CB -0.960 17.820 19.000 -0.367 0.000 0.810 448 A HN 0.368 nan 8.150 nan 0.000 0.446 449 G N -0.562 107.935 108.800 -0.505 0.000 2.470 449 G HA2 -0.202 3.767 3.960 0.015 0.000 0.220 449 G HA3 -0.202 3.767 3.960 0.015 0.000 0.220 449 G C 1.567 176.275 174.900 -0.321 0.000 1.121 449 G CA 1.250 46.099 45.100 -0.418 0.000 0.766 449 G HN 0.489 nan 8.290 nan 0.000 0.553 450 K N 0.160 120.414 120.400 -0.243 0.000 2.097 450 K HA -0.040 4.289 4.320 0.015 0.000 0.206 450 K C 2.026 178.635 176.600 0.015 0.000 1.049 450 K CA 1.535 57.784 56.287 -0.064 0.000 0.933 450 K CB -0.194 32.335 32.500 0.048 0.000 0.717 450 K HN 0.758 nan 8.250 nan 0.000 0.442 451 W N -2.107 119.183 121.300 -0.016 0.000 3.103 451 W HA 0.425 5.094 4.660 0.015 0.000 0.325 451 W C -0.097 176.421 176.519 -0.002 0.000 1.170 451 W CA -0.435 56.907 57.345 -0.006 0.000 1.712 451 W CB -0.102 29.352 29.460 -0.010 0.000 1.068 451 W HN -0.144 nan 8.180 nan 0.000 0.592 452 S N 2.921 118.326 115.700 -0.491 0.000 2.532 452 S HA 0.365 4.845 4.470 0.015 0.000 0.318 452 S C -1.470 173.008 174.600 -0.203 0.000 1.083 452 S CA -1.328 56.654 58.200 -0.364 0.000 1.131 452 S CB 1.255 64.019 63.200 -0.726 0.000 0.973 452 S HN -0.304 nan 8.310 nan 0.000 0.468 453 P HA -0.151 nan 4.420 nan 0.000 0.216 453 P C 1.378 178.618 177.300 -0.100 0.000 1.150 453 P CA 1.024 64.159 63.100 0.060 0.000 0.837 453 P CB 0.135 32.009 31.700 0.289 0.000 0.786 454 E N -0.329 119.822 120.200 -0.082 0.000 2.152 454 E HA -0.130 4.230 4.350 0.015 0.000 0.192 454 E C 1.979 178.573 176.600 -0.011 0.000 0.983 454 E CA 0.839 57.121 56.400 -0.197 0.000 0.818 454 E CB -1.348 28.316 29.700 -0.061 0.000 0.758 454 E HN 0.213 nan 8.360 nan 0.000 0.467 455 L N 1.604 122.730 121.223 -0.161 0.000 2.056 455 L HA 0.051 4.400 4.340 0.015 0.000 0.207 455 L C 2.440 179.150 176.870 -0.266 0.000 1.078 455 L CA 1.940 56.656 54.840 -0.207 0.000 0.749 455 L CB -0.829 41.026 42.059 -0.340 0.000 0.901 455 L HN 0.112 nan 8.230 nan 0.000 0.433 456 A N -0.253 122.400 122.820 -0.278 0.000 1.908 456 A HA -0.139 4.190 4.320 0.015 0.000 0.218 456 A C 2.468 179.876 177.584 -0.293 0.000 1.181 456 A CA 1.918 53.803 52.037 -0.253 0.000 0.627 456 A CB -1.218 17.676 19.000 -0.177 0.000 0.818 456 A HN 0.584 nan 8.150 nan 0.000 0.445 457 A N -0.306 122.255 122.820 -0.432 0.000 1.933 457 A HA 0.151 4.481 4.320 0.015 0.000 0.218 457 A C 2.473 179.664 177.584 -0.655 0.000 1.175 457 A CA 2.135 53.804 52.037 -0.613 0.000 0.628 457 A CB -0.893 17.421 19.000 -1.144 0.000 0.814 457 A HN 1.033 nan 8.150 nan 0.000 0.444 458 A N -0.350 122.101 122.820 -0.616 0.000 1.897 458 A HA 0.068 4.397 4.320 0.015 0.000 0.215 458 A C 2.145 179.570 177.584 -0.265 0.000 1.181 458 A CA 1.258 52.998 52.037 -0.495 0.000 0.620 458 A CB -0.568 18.390 19.000 -0.070 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 4.120 4.340 0.015 0.000 0.210 459 L C 2.166 179.154 176.870 0.197 0.000 1.076 459 L CA 1.568 56.237 54.840 -0.285 0.000 0.749 459 L CB -0.685 41.058 42.059 -0.527 0.000 0.893 459 L HN 0.334 nan 8.230 nan 0.000 0.432 460 D N -0.083 120.313 120.400 -0.006 0.000 2.097 460 D HA -0.188 4.461 4.640 0.015 0.000 0.195 460 D C 2.092 178.330 176.300 -0.103 0.000 0.989 460 D CA 1.149 55.151 54.000 0.004 0.000 0.827 460 D CB -0.115 40.619 40.800 -0.110 0.000 0.966 460 D HN 0.129 nan 8.370 nan 0.000 0.456 461 L N -0.350 120.664 121.223 -0.349 0.000 2.046 461 L HA -0.119 4.231 4.340 0.015 0.000 0.208 461 L C 1.286 177.857 176.870 -0.499 0.000 1.077 461 L CA 1.436 55.915 54.840 -0.601 0.000 0.747 461 L CB -0.300 41.053 42.059 -1.177 0.000 0.896 461 L HN 0.155 nan 8.230 nan 0.000 0.432 462 W N -0.426 120.770 121.300 -0.173 0.000 2.966 462 W HA 0.255 4.925 4.660 0.016 0.000 0.406 462 W C 1.591 177.847 176.519 -0.438 0.000 1.027 462 W CA -0.548 56.489 57.345 -0.513 0.000 1.930 462 W CB -0.527 28.345 29.460 -0.981 0.000 1.144 462 W HN 0.206 nan 8.180 nan 0.000 0.626 463 K N 1.545 121.964 120.400 0.031 0.000 2.642 463 K HA -0.152 4.177 4.320 0.015 0.000 0.194 463 K C -0.322 175.937 176.600 -0.569 0.000 1.039 463 K CA 1.252 57.021 56.287 -0.863 0.000 0.947 463 K CB 0.152 32.257 32.500 -0.659 0.000 0.784 463 K HN -0.118 nan 8.250 nan 0.000 0.491 464 E N 0.360 120.430 120.200 -0.215 0.000 2.649 464 E HA 0.055 4.414 4.350 0.015 0.000 0.308 464 E C -0.800 175.829 176.600 0.048 0.000 1.017 464 E CA -0.618 55.757 56.400 -0.042 0.000 0.848 464 E CB 0.739 30.473 29.700 0.056 0.000 1.240 464 E HN 0.054 nan 8.360 nan 0.000 0.421 465 I N 1.593 122.182 120.570 0.031 0.000 4.637 465 I HA -0.350 3.829 4.170 0.015 0.000 0.126 465 I C 0.163 176.361 176.117 0.134 0.000 1.134 465 I CA 1.311 62.666 61.300 0.092 0.000 2.675 465 I CB -1.061 37.012 38.000 0.122 0.000 1.781 465 I HN 0.534 nan 8.210 nan 0.000 0.328 466 K N 6.255 126.713 120.400 0.095 0.000 2.208 466 K HA 0.667 4.996 4.320 0.015 0.000 0.247 466 K C -0.282 176.284 176.600 -0.056 0.000 0.953 466 K CA -0.961 55.337 56.287 0.020 0.000 0.837 466 K CB 1.380 33.802 32.500 -0.130 0.000 1.131 466 K HN 0.241 nan 8.250 nan 0.000 0.431 467 F N 1.077 120.967 119.950 -0.100 0.000 2.259 467 F HA -0.252 4.284 4.527 0.015 0.000 0.309 467 F C -0.394 175.338 175.800 -0.113 0.000 1.079 467 F CA 0.804 58.743 58.000 -0.102 0.000 1.099 467 F CB -1.145 37.857 39.000 0.002 0.000 1.521 467 F HN 0.576 nan 8.300 nan 0.000 0.783 468 E N 1.713 121.490 120.200 -0.706 0.000 2.397 468 E HA 0.368 4.728 4.350 0.015 0.000 0.293 468 E C -0.469 175.787 176.600 -0.574 0.000 0.930 468 E CA -0.631 55.424 56.400 -0.575 0.000 0.793 468 E CB 0.919 30.370 29.700 -0.415 0.000 1.259 468 E HN 0.217 nan 8.360 nan 0.000 0.406 469 F N 0.989 120.944 119.950 0.008 0.000 2.637 469 F HA 0.190 4.727 4.527 0.015 0.000 0.284 469 F C 1.073 176.903 175.800 0.049 0.000 1.105 469 F CA 0.244 58.284 58.000 0.067 0.000 1.356 469 F CB 0.536 39.611 39.000 0.125 0.000 1.096 469 F HN 0.584 nan 8.300 nan 0.000 0.616 470 E N 0.245 120.648 120.200 0.339 0.000 8.774 470 E HA -0.220 4.139 4.350 0.015 0.000 0.169 470 E C -0.625 176.332 176.600 0.595 0.000 1.453 470 E CA 0.626 57.248 56.400 0.370 0.000 2.527 470 E CB -0.548 29.256 29.700 0.172 0.000 1.274 470 E HN 0.107 nan 8.360 nan 0.000 0.438 471 T N 1.914 116.527 114.554 0.097 0.000 2.930 471 T HA 0.094 4.453 4.350 0.015 0.000 0.306 471 T C 1.115 175.843 174.700 0.047 0.000 1.045 471 T CA 0.046 62.181 62.100 0.059 0.000 1.134 471 T CB 0.532 69.427 68.868 0.045 0.000 0.961 471 T HN 0.274 nan 8.240 nan 0.000 0.545 472 M N 1.566 121.185 119.600 0.032 0.000 2.156 472 M HA 0.104 4.594 4.480 0.015 0.000 0.238 472 M C 1.343 177.655 176.300 0.019 0.000 1.165 472 M CA 0.572 55.886 55.300 0.023 0.000 1.153 472 M CB -1.561 31.050 32.600 0.017 0.000 1.200 472 M HN 0.533 nan 8.290 nan 0.000 0.442 473 D N 3.301 123.711 120.400 0.016 0.000 2.813 473 D HA -0.080 4.570 4.640 0.015 0.000 0.236 473 D C -0.436 175.871 176.300 0.011 0.000 1.135 473 D CA 0.493 54.499 54.000 0.011 0.000 1.515 473 D CB -0.423 40.383 40.800 0.009 0.000 1.148 473 D HN 0.162 nan 8.370 nan 0.000 0.487 474 K N 1.417 121.824 120.400 0.011 0.000 2.185 474 K HA 0.262 4.591 4.320 0.015 0.000 0.271 474 K C 0.809 177.413 176.600 0.008 0.000 1.013 474 K CA -0.859 55.434 56.287 0.010 0.000 0.943 474 K CB 1.265 33.770 32.500 0.009 0.000 0.998 474 K HN 0.247 nan 8.250 nan 0.000 0.468 475 L N 0.000 121.227 121.223 0.007 0.000 2.949 475 L HA 0.000 4.349 4.340 0.015 0.000 0.249 475 L CA 0.000 54.843 54.840 0.006 0.000 0.813 475 L CB 0.000 42.062 42.059 0.006 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502