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 2ivd_1_B DATA FIRST_RESID 10 DATA SEQUENCE MNVAVVGGGI SGLAVAHHLR SRGTDAVLLE SSARLGGAVG THALAGYLVE DATA SEQUENCE QGPNSFLDRE PATRALAAAL NLEGRIRAAD PAAKRRYVYT RGRLRSVPAS DATA SEQUENCE PPAFLASDIL PLGARLRVAG ELFSRRAPEG VDESLAAFGR RHLGHRATQV DATA SEQUENCE LLDAVQTGIY AGDVEQLSVA ATFPMLVKME REHRSLILGA IRAQKAQRQA DATA SEQUENCE XXXXXXXXKL SGALSTFDGG LQVLIDALAA SLGDAAHVGA RVEGLAREDG DATA SEQUENCE GWRLIIEEHG RRAELSVAQV VLAAPAHATA KLLRPLDDAL AALVAGIAYA DATA SEQUENCE PIAVVHLGFD AGTLPAPDGF GFLVPAEEQR RMLGAIHAST TFPFRAEGGR DATA SEQUENCE VLYSCMVGGA RQPGLVEQDE DALAALAREE LKALAGVTAR PSFTRVFRWP DATA SEQUENCE LGIPQYNLGH LERVAAIDAA LQRLPGLHLI GNAYKGVGLN DCIRNAAQLA DATA SEQUENCE DALVAGN 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 10 M HA 0.000 nan 4.480 nan 0.000 0.227 10 M C 0.000 176.313 176.300 0.022 0.000 1.140 10 M CA 0.000 55.311 55.300 0.019 0.000 0.988 10 M CB 0.000 32.609 32.600 0.015 0.000 1.302 11 N N 1.368 120.088 118.700 0.034 0.000 2.419 11 N HA 0.713 5.453 4.740 0.000 0.000 0.277 11 N C -1.608 173.932 175.510 0.050 0.000 1.006 11 N CA -0.253 52.820 53.050 0.037 0.000 0.923 11 N CB 1.855 40.366 38.487 0.039 0.000 1.140 11 N HN 0.405 nan 8.380 nan 0.000 0.488 12 V N 1.421 121.359 119.914 0.040 0.000 2.588 12 V HA 0.755 4.875 4.120 0.000 0.000 0.304 12 V C -0.277 175.837 176.094 0.034 0.000 1.042 12 V CA -1.123 61.202 62.300 0.041 0.000 0.877 12 V CB 1.533 33.371 31.823 0.025 0.000 0.996 12 V HN 0.760 nan 8.190 nan 0.000 0.425 13 A N 4.223 127.061 122.820 0.031 0.000 2.292 13 A HA 0.835 5.155 4.320 0.000 0.000 0.319 13 A C -0.702 176.886 177.584 0.006 0.000 1.206 13 A CA -0.506 51.541 52.037 0.018 0.000 0.835 13 A CB 1.254 20.262 19.000 0.012 0.000 1.164 13 A HN 0.716 nan 8.150 nan 0.000 0.505 14 V N 3.638 123.561 119.914 0.015 0.000 2.357 14 V HA 0.301 4.421 4.120 0.000 0.000 0.284 14 V C -0.206 175.894 176.094 0.011 0.000 1.018 14 V CA -0.519 61.789 62.300 0.013 0.000 0.841 14 V CB 1.421 33.259 31.823 0.026 0.000 0.991 14 V HN 0.609 nan 8.190 nan 0.000 0.437 15 V N 4.511 124.424 119.914 -0.002 0.000 2.348 15 V HA 0.842 4.962 4.120 0.000 0.000 0.270 15 V C 0.656 176.755 176.094 0.008 0.000 1.037 15 V CA 0.435 62.732 62.300 -0.004 0.000 0.872 15 V CB 0.636 32.443 31.823 -0.026 0.000 1.002 15 V HN 1.275 nan 8.190 nan 0.000 0.464 16 G N 3.689 112.499 108.800 0.017 0.000 3.233 16 G HA2 0.199 4.159 3.960 0.000 0.000 0.686 16 G HA3 0.199 4.159 3.960 0.000 0.000 0.686 16 G C 0.068 174.986 174.900 0.031 0.000 1.153 16 G CA -0.477 44.638 45.100 0.025 0.000 0.853 16 G HN 1.234 nan 8.290 nan 0.000 0.582 17 G N 0.781 109.601 108.800 0.034 0.000 4.098 17 G HA2 0.691 4.651 3.960 0.000 0.000 0.300 17 G HA3 0.691 4.651 3.960 0.000 0.000 0.300 17 G C 0.871 175.786 174.900 0.025 0.000 1.187 17 G CA 0.939 46.057 45.100 0.030 0.000 0.964 17 G HN 1.313 nan 8.290 nan 0.000 0.559 18 G N 0.065 108.880 108.800 0.026 0.000 2.553 18 G HA2 0.324 4.284 3.960 0.000 0.000 0.278 18 G HA3 0.324 4.284 3.960 0.000 0.000 0.278 18 G C 1.078 175.979 174.900 0.002 0.000 1.349 18 G CA -0.438 44.671 45.100 0.015 0.000 1.037 18 G HN 0.114 nan 8.290 nan 0.000 0.508 19 I N -0.192 120.371 120.570 -0.013 0.000 2.208 19 I HA -0.176 3.994 4.170 0.000 0.000 0.245 19 I C 2.825 178.933 176.117 -0.014 0.000 1.097 19 I CA 1.924 63.209 61.300 -0.025 0.000 1.363 19 I CB -0.355 37.622 38.000 -0.039 0.000 1.051 19 I HN 0.349 nan 8.210 nan 0.000 0.413 20 S N 0.588 116.288 115.700 0.000 0.000 2.351 20 S HA -0.141 4.329 4.470 0.000 0.000 0.220 20 S C 2.083 176.696 174.600 0.022 0.000 1.035 20 S CA 1.395 59.604 58.200 0.015 0.000 1.031 20 S CB -1.328 61.895 63.200 0.039 0.000 0.928 20 S HN 0.680 nan 8.310 nan 0.000 0.433 21 G N 1.673 110.490 108.800 0.028 0.000 2.446 21 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 21 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 21 G C 1.383 176.302 174.900 0.033 0.000 1.168 21 G CA 0.809 45.928 45.100 0.031 0.000 0.771 21 G HN 0.414 nan 8.290 nan 0.000 0.551 22 L N 0.702 121.939 121.223 0.024 0.000 2.012 22 L HA -0.106 4.234 4.340 0.000 0.000 0.210 22 L C 3.394 180.294 176.870 0.049 0.000 1.073 22 L CA 1.279 56.136 54.840 0.027 0.000 0.748 22 L CB -0.372 41.685 42.059 -0.002 0.000 0.891 22 L HN 0.310 nan 8.230 nan 0.000 0.431 23 A N -0.820 122.016 122.820 0.026 0.000 1.968 23 A HA -0.092 4.228 4.320 0.000 0.000 0.217 23 A C 2.333 179.969 177.584 0.087 0.000 1.169 23 A CA 1.277 53.339 52.037 0.041 0.000 0.638 23 A CB -0.645 18.345 19.000 -0.017 0.000 0.812 23 A HN 0.186 nan 8.150 nan 0.000 0.446 24 V N -0.198 119.751 119.914 0.057 0.000 2.295 24 V HA -0.246 3.874 4.120 0.000 0.000 0.246 24 V C 3.039 179.184 176.094 0.086 0.000 1.049 24 V CA 2.026 64.360 62.300 0.058 0.000 1.024 24 V CB -1.041 30.799 31.823 0.027 0.000 0.648 24 V HN 0.605 nan 8.190 nan 0.000 0.447 25 A N -0.746 122.121 122.820 0.079 0.000 1.897 25 A HA -0.253 4.068 4.320 0.000 0.000 0.215 25 A C 2.083 179.713 177.584 0.076 0.000 1.181 25 A CA 1.986 54.062 52.037 0.065 0.000 0.620 25 A CB -0.858 18.176 19.000 0.057 0.000 0.821 25 A HN 0.749 nan 8.150 nan 0.000 0.443 26 H N -1.614 117.473 119.070 0.027 0.000 2.352 26 H HA -0.231 4.325 4.556 0.000 0.000 0.299 26 H C 2.013 177.364 175.328 0.039 0.000 1.097 26 H CA 2.395 58.456 56.048 0.023 0.000 1.311 26 H CB -0.227 29.547 29.762 0.018 0.000 1.377 26 H HN 0.667 nan 8.280 nan 0.000 0.504 27 H N -0.553 118.560 119.070 0.072 0.000 2.395 27 H HA 0.008 4.564 4.556 0.000 0.000 0.299 27 H C 2.214 177.514 175.328 -0.045 0.000 1.070 27 H CA 1.412 57.476 56.048 0.028 0.000 1.356 27 H CB -0.066 29.729 29.762 0.055 0.000 1.401 27 H HN 0.329 nan 8.280 nan 0.000 0.524 28 L N -0.196 121.035 121.223 0.013 0.000 2.017 28 L HA -0.168 4.172 4.340 0.000 0.000 0.208 28 L C 2.565 179.371 176.870 -0.107 0.000 1.073 28 L CA 1.462 56.276 54.840 -0.043 0.000 0.745 28 L CB -0.275 41.781 42.059 -0.005 0.000 0.894 28 L HN 0.259 nan 8.230 nan 0.000 0.432 29 R N -0.286 120.140 120.500 -0.124 0.000 2.096 29 R HA -0.129 4.212 4.340 0.000 0.000 0.235 29 R C 2.500 178.680 176.300 -0.200 0.000 1.127 29 R CA 1.569 57.581 56.100 -0.146 0.000 0.968 29 R CB -0.418 29.795 30.300 -0.145 0.000 0.861 29 R HN 0.461 nan 8.270 nan 0.000 0.440 30 S N 0.358 115.880 115.700 -0.296 0.000 2.481 30 S HA -0.006 4.464 4.470 0.000 0.000 0.231 30 S C 1.548 176.004 174.600 -0.240 0.000 0.996 30 S CA 0.501 58.525 58.200 -0.293 0.000 0.942 30 S CB 0.136 63.120 63.200 -0.360 0.000 0.768 30 S HN 0.166 nan 8.310 nan 0.000 0.520 31 R N 0.832 121.185 120.500 -0.244 0.000 2.427 31 R HA 0.286 4.626 4.340 0.000 0.000 0.262 31 R C 1.251 177.484 176.300 -0.111 0.000 0.943 31 R CA 0.486 56.478 56.100 -0.180 0.000 1.081 31 R CB -0.287 29.896 30.300 -0.195 0.000 1.166 31 R HN 0.594 nan 8.270 nan 0.000 0.534 32 G N 2.068 110.804 108.800 -0.106 0.000 2.198 32 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 32 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 32 G C 0.196 175.064 174.900 -0.054 0.000 1.042 32 G CA 0.880 45.937 45.100 -0.072 0.000 0.791 32 G HN 0.444 nan 8.290 nan 0.000 0.502 33 T N -2.120 112.400 114.554 -0.056 0.000 2.885 33 T HA 0.588 4.938 4.350 0.000 0.000 0.285 33 T C -0.423 174.261 174.700 -0.027 0.000 1.019 33 T CA -0.645 61.435 62.100 -0.033 0.000 1.010 33 T CB 2.387 71.240 68.868 -0.025 0.000 1.022 33 T HN 0.029 nan 8.240 nan 0.000 0.466 34 D N 1.873 122.266 120.400 -0.011 0.000 2.390 34 D HA 0.489 5.129 4.640 0.000 0.000 0.249 34 D C -0.298 176.006 176.300 0.007 0.000 1.144 34 D CA 0.334 54.333 54.000 -0.002 0.000 0.880 34 D CB 1.262 42.066 40.800 0.008 0.000 1.182 34 D HN 0.899 nan 8.370 nan 0.000 0.451 35 A N 2.436 125.262 122.820 0.010 0.000 2.398 35 A HA 0.465 4.786 4.320 0.000 0.000 0.301 35 A C -1.080 176.529 177.584 0.042 0.000 1.041 35 A CA -0.727 51.323 52.037 0.022 0.000 0.711 35 A CB 1.893 20.902 19.000 0.015 0.000 1.240 35 A HN 0.345 nan 8.150 nan 0.000 0.420 36 V N 4.247 124.193 119.914 0.053 0.000 2.417 36 V HA 0.691 4.811 4.120 0.000 0.000 0.291 36 V C -0.757 175.387 176.094 0.084 0.000 1.024 36 V CA -0.636 61.718 62.300 0.089 0.000 0.861 36 V CB 1.202 33.067 31.823 0.070 0.000 0.985 36 V HN 0.920 nan 8.190 nan 0.000 0.436 37 L N 7.167 128.463 121.223 0.122 0.000 2.325 37 L HA 0.708 5.048 4.340 0.000 0.000 0.278 37 L C -1.359 175.585 176.870 0.123 0.000 1.023 37 L CA -0.560 54.336 54.840 0.093 0.000 0.811 37 L CB 1.538 43.639 42.059 0.070 0.000 1.249 37 L HN 0.672 nan 8.230 nan 0.000 0.431 38 L N 4.284 125.549 121.223 0.070 0.000 2.372 38 L HA 0.533 4.873 4.340 0.000 0.000 0.274 38 L C -0.920 175.976 176.870 0.043 0.000 0.988 38 L CA -0.464 54.412 54.840 0.060 0.000 0.833 38 L CB 1.708 43.773 42.059 0.011 0.000 1.236 38 L HN 0.475 nan 8.230 nan 0.000 0.410 39 E N 0.988 121.219 120.200 0.052 0.000 2.158 39 E HA 0.331 4.681 4.350 0.000 0.000 0.271 39 E C 0.640 177.259 176.600 0.032 0.000 0.911 39 E CA -0.433 55.991 56.400 0.039 0.000 0.767 39 E CB 1.781 31.506 29.700 0.042 0.000 1.120 39 E HN 0.502 nan 8.360 nan 0.000 0.405 40 S N 2.182 117.899 115.700 0.027 0.000 2.461 40 S HA 0.063 4.533 4.470 0.000 0.000 0.228 40 S C 0.859 175.476 174.600 0.029 0.000 1.005 40 S CA 0.076 58.289 58.200 0.021 0.000 0.942 40 S CB 0.052 63.264 63.200 0.020 0.000 0.776 40 S HN 0.277 nan 8.310 nan 0.000 0.514 41 S N 0.804 116.529 115.700 0.042 0.000 2.632 41 S HA 0.673 5.143 4.470 0.000 0.000 0.267 41 S C 1.349 175.972 174.600 0.040 0.000 1.276 41 S CA -0.103 58.126 58.200 0.049 0.000 0.998 41 S CB 1.107 64.350 63.200 0.071 0.000 0.953 41 S HN 0.556 nan 8.310 nan 0.000 0.547 42 A N 2.051 124.895 122.820 0.041 0.000 2.172 42 A HA 0.088 4.408 4.320 0.000 0.000 0.216 42 A C 0.780 178.383 177.584 0.032 0.000 1.154 42 A CA 1.045 53.103 52.037 0.035 0.000 0.701 42 A CB -0.080 18.943 19.000 0.038 0.000 0.789 42 A HN 0.705 nan 8.150 nan 0.000 0.465 43 R N -2.073 118.449 120.500 0.037 0.000 2.710 43 R HA 0.568 4.908 4.340 0.000 0.000 0.270 43 R C -0.699 175.621 176.300 0.033 0.000 1.021 43 R CA -0.917 55.199 56.100 0.027 0.000 0.889 43 R CB 0.994 31.307 30.300 0.022 0.000 1.243 43 R HN 0.166 nan 8.270 nan 0.000 0.464 44 L N 0.133 121.367 121.223 0.018 0.000 2.636 44 L HA 0.272 4.612 4.340 0.000 0.000 0.163 44 L C 1.699 178.584 176.870 0.025 0.000 1.052 44 L CA 1.070 55.922 54.840 0.019 0.000 1.170 44 L CB -0.246 41.814 42.059 0.003 0.000 1.864 44 L HN 1.003 nan 8.230 nan 0.000 0.472 45 G N -1.507 107.300 108.800 0.012 0.000 5.347 45 G HA2 -0.005 3.955 3.960 0.000 0.000 0.299 45 G HA3 -0.005 3.955 3.960 0.000 0.000 0.299 45 G C 0.607 175.520 174.900 0.021 0.000 1.492 45 G CA 0.149 45.254 45.100 0.008 0.000 0.991 45 G HN 1.645 nan 8.290 nan 0.000 0.749 46 G N -0.986 107.846 108.800 0.054 0.000 2.637 46 G HA2 0.340 4.300 3.960 0.000 0.000 0.211 46 G HA3 0.340 4.300 3.960 0.000 0.000 0.211 46 G C 1.451 176.400 174.900 0.082 0.000 1.213 46 G CA 2.197 47.340 45.100 0.071 0.000 1.207 46 G HN 2.192 nan 8.290 nan 0.000 0.559 47 A N -0.061 122.719 122.820 -0.066 0.000 1.972 47 A HA 0.402 4.722 4.320 0.000 0.000 0.219 47 A C 1.534 179.033 177.584 -0.142 0.000 1.169 47 A CA 2.255 54.100 52.037 -0.319 0.000 0.635 47 A CB -0.676 18.039 19.000 -0.474 0.000 0.810 47 A HN 1.563 nan 8.150 nan 0.000 0.446 48 V N 0.183 120.064 119.914 -0.055 0.000 2.521 48 V HA 0.510 4.630 4.120 0.000 0.000 0.286 48 V C 0.550 176.665 176.094 0.035 0.000 1.034 48 V CA 0.524 62.819 62.300 -0.008 0.000 1.045 48 V CB 0.281 32.099 31.823 -0.008 0.000 0.974 48 V HN 0.661 nan 8.190 nan 0.000 0.480 49 G N 2.889 111.720 108.800 0.051 0.000 2.617 49 G HA2 0.509 4.469 3.960 0.000 0.000 0.305 49 G HA3 0.509 4.469 3.960 0.000 0.000 0.305 49 G C -0.863 174.086 174.900 0.082 0.000 1.436 49 G CA -0.600 44.525 45.100 0.042 0.000 1.036 49 G HN 0.589 nan 8.290 nan 0.000 0.589 50 T N 1.973 116.535 114.554 0.013 0.000 2.797 50 T HA 0.592 4.942 4.350 0.000 0.000 0.279 50 T C -0.565 174.130 174.700 -0.009 0.000 0.991 50 T CA -0.556 61.593 62.100 0.081 0.000 0.979 50 T CB 1.152 70.059 68.868 0.064 0.000 0.943 50 T HN 0.526 nan 8.240 nan 0.000 0.444 51 H N 1.178 120.282 119.070 0.057 0.000 2.505 51 H HA 0.519 5.076 4.556 0.000 0.000 0.338 51 H C -0.356 175.027 175.328 0.092 0.000 1.057 51 H CA -0.877 55.232 56.048 0.101 0.000 1.202 51 H CB 1.578 31.458 29.762 0.196 0.000 1.466 51 H HN 0.776 nan 8.280 nan 0.000 0.499 52 A N 5.752 128.662 122.820 0.150 0.000 2.437 52 A HA 0.412 4.732 4.320 0.000 0.000 0.303 52 A C -0.207 177.443 177.584 0.109 0.000 1.324 52 A CA -0.231 51.865 52.037 0.098 0.000 0.983 52 A CB -0.590 18.443 19.000 0.054 0.000 1.142 52 A HN 0.577 nan 8.150 nan 0.000 0.541 53 L N 1.822 123.096 121.223 0.085 0.000 2.438 53 L HA 0.572 4.912 4.340 0.000 0.000 0.270 53 L C 0.904 177.708 176.870 -0.110 0.000 0.972 53 L CA -0.317 54.574 54.840 0.084 0.000 0.831 53 L CB 1.907 44.134 42.059 0.279 0.000 1.273 53 L HN 1.013 nan 8.230 nan 0.000 0.405 54 A N 2.409 125.194 122.820 -0.058 0.000 2.771 54 A HA -0.061 4.259 4.320 0.000 0.000 0.294 54 A C 1.436 178.820 177.584 -0.334 0.000 1.500 54 A CA 1.524 53.486 52.037 -0.126 0.000 0.829 54 A CB -1.783 17.216 19.000 -0.001 0.000 0.998 54 A HN 1.841 nan 8.150 nan 0.000 0.526 55 G N -4.094 104.522 108.800 -0.307 0.000 2.232 55 G HA2 -0.241 3.719 3.960 0.000 0.000 0.226 55 G HA3 -0.241 3.719 3.960 0.000 0.000 0.226 55 G C 0.034 174.650 174.900 -0.472 0.000 0.996 55 G CA 0.488 45.336 45.100 -0.419 0.000 0.626 55 G HN 1.412 nan 8.290 nan 0.000 0.509 56 Y N -0.043 120.104 120.300 -0.255 0.000 2.419 56 Y HA 0.721 5.272 4.550 0.000 0.000 0.328 56 Y C 0.815 176.644 175.900 -0.119 0.000 1.162 56 Y CA -1.030 56.942 58.100 -0.213 0.000 1.174 56 Y CB 1.288 39.535 38.460 -0.355 0.000 1.228 56 Y HN 0.043 nan 8.280 nan 0.000 0.473 57 L N 4.035 125.328 121.223 0.116 0.000 2.283 57 L HA 0.446 4.786 4.340 0.000 0.000 0.281 57 L C -0.640 176.283 176.870 0.088 0.000 1.033 57 L CA -0.894 54.006 54.840 0.100 0.000 0.848 57 L CB 0.623 42.743 42.059 0.101 0.000 1.226 57 L HN 0.478 nan 8.230 nan 0.000 0.429 58 V N 0.435 120.391 119.914 0.070 0.000 2.472 58 V HA 0.527 4.647 4.120 0.000 0.000 0.290 58 V C -0.105 176.004 176.094 0.025 0.000 1.037 58 V CA -0.618 61.644 62.300 -0.063 0.000 0.908 58 V CB 1.846 33.466 31.823 -0.337 0.000 0.985 58 V HN 0.557 nan 8.190 nan 0.000 0.454 59 E N 4.252 124.489 120.200 0.061 0.000 2.197 59 E HA 0.210 4.560 4.350 0.000 0.000 0.281 59 E C 0.631 177.286 176.600 0.091 0.000 0.995 59 E CA -0.256 56.214 56.400 0.116 0.000 0.808 59 E CB 2.067 31.859 29.700 0.152 0.000 1.093 59 E HN 0.924 nan 8.360 nan 0.000 0.394 60 Q N 1.842 121.534 119.800 -0.180 0.000 2.172 60 Q HA -0.016 4.324 4.340 0.000 0.000 0.200 60 Q C 0.866 176.962 176.000 0.159 0.000 0.964 60 Q CA 1.348 56.820 55.803 -0.552 0.000 0.855 60 Q CB 0.217 28.478 28.738 -0.795 0.000 0.918 60 Q HN 0.528 nan 8.270 nan 0.000 0.444 61 G N 1.182 110.038 108.800 0.092 0.000 2.890 61 G HA2 0.283 4.243 3.960 0.000 0.000 0.199 61 G HA3 0.283 4.243 3.960 0.000 0.000 0.199 61 G C -2.344 172.543 174.900 -0.020 0.000 1.729 61 G CA -0.381 44.694 45.100 -0.042 0.000 0.767 61 G HN 0.195 nan 8.290 nan 0.000 0.804 62 P HA 0.146 nan 4.420 nan 0.000 0.266 62 P C -0.372 176.977 177.300 0.083 0.000 1.195 62 P CA 0.280 63.384 63.100 0.006 0.000 0.768 62 P CB 1.301 32.997 31.700 -0.007 0.000 0.838 63 N N -0.312 118.463 118.700 0.126 0.000 2.397 63 N HA 0.039 4.779 4.740 0.000 0.000 0.190 63 N C 0.145 175.775 175.510 0.201 0.000 1.099 63 N CA 0.298 53.463 53.050 0.190 0.000 0.876 63 N CB 0.526 39.166 38.487 0.256 0.000 1.143 63 N HN 0.562 nan 8.380 nan 0.000 0.468 64 S N -0.012 115.791 115.700 0.172 0.000 2.587 64 S HA 0.578 5.048 4.470 0.000 0.000 0.269 64 S C -1.263 173.405 174.600 0.113 0.000 1.154 64 S CA -1.010 57.254 58.200 0.106 0.000 0.824 64 S CB 1.178 64.467 63.200 0.148 0.000 1.118 64 S HN 0.158 nan 8.310 nan 0.000 0.462 65 F N -0.346 119.593 119.950 -0.018 0.000 2.593 65 F HA 0.849 5.376 4.527 0.000 0.000 0.320 65 F C -1.277 174.487 175.800 -0.061 0.000 1.060 65 F CA -1.534 56.437 58.000 -0.047 0.000 0.940 65 F CB 0.840 39.811 39.000 -0.048 0.000 1.268 65 F HN 0.563 nan 8.300 nan 0.000 0.475 66 L N 1.929 123.184 121.223 0.053 0.000 2.305 66 L HA 0.236 4.577 4.340 0.000 0.000 0.281 66 L C -0.037 176.902 176.870 0.116 0.000 1.085 66 L CA -0.426 54.392 54.840 -0.037 0.000 0.813 66 L CB 0.630 42.670 42.059 -0.030 0.000 1.157 66 L HN 0.653 nan 8.230 nan 0.000 0.436 67 D N 2.961 123.363 120.400 0.003 0.000 2.671 67 D HA 0.062 4.702 4.640 0.000 0.000 0.228 67 D C 0.682 177.029 176.300 0.078 0.000 1.102 67 D CA 0.010 54.082 54.000 0.120 0.000 1.044 67 D CB 0.198 41.009 40.800 0.018 0.000 1.113 67 D HN 0.458 nan 8.370 nan 0.000 0.480 68 R N -0.180 120.373 120.500 0.088 0.000 2.549 68 R HA 0.271 4.611 4.340 0.000 0.000 0.399 68 R C -0.053 176.270 176.300 0.039 0.000 0.964 68 R CA -0.553 55.574 56.100 0.044 0.000 1.173 68 R CB 0.043 30.356 30.300 0.022 0.000 1.535 68 R HN -0.117 nan 8.270 nan 0.000 0.551 69 E N 1.970 122.200 120.200 0.050 0.000 2.092 69 E HA 0.357 4.707 4.350 0.000 0.000 0.271 69 E C -1.949 174.650 176.600 -0.002 0.000 0.919 69 E CA -2.986 53.422 56.400 0.013 0.000 0.760 69 E CB 1.493 31.190 29.700 -0.006 0.000 1.106 69 E HN -0.116 nan 8.360 nan 0.000 0.408 70 P HA -0.191 nan 4.420 nan 0.000 0.216 70 P C 0.763 178.053 177.300 -0.017 0.000 1.153 70 P CA 1.807 64.905 63.100 -0.003 0.000 0.858 70 P CB 0.234 31.934 31.700 -0.001 0.000 0.789 71 A N -1.032 121.767 122.820 -0.034 0.000 1.933 71 A HA -0.173 4.147 4.320 0.000 0.000 0.218 71 A C 2.197 179.737 177.584 -0.073 0.000 1.175 71 A CA 2.309 54.314 52.037 -0.054 0.000 0.628 71 A CB -1.797 17.159 19.000 -0.073 0.000 0.814 71 A HN 0.180 nan 8.150 nan 0.000 0.444 72 T N -0.687 113.806 114.554 -0.102 0.000 2.857 72 T HA -0.069 4.281 4.350 0.000 0.000 0.266 72 T C 2.123 176.750 174.700 -0.122 0.000 1.048 72 T CA 1.009 63.003 62.100 -0.176 0.000 1.139 72 T CB -0.174 68.500 68.868 -0.323 0.000 0.874 72 T HN 0.303 nan 8.240 nan 0.000 0.455 73 R N 1.286 121.752 120.500 -0.056 0.000 2.073 73 R HA 0.119 4.460 4.340 0.000 0.000 0.234 73 R C 2.757 179.059 176.300 0.004 0.000 1.134 73 R CA 1.420 57.516 56.100 -0.005 0.000 0.952 73 R CB -1.091 29.219 30.300 0.016 0.000 0.850 73 R HN 0.433 nan 8.270 nan 0.000 0.433 74 A N 1.154 123.975 122.820 0.001 0.000 1.883 74 A HA -0.180 4.141 4.320 0.000 0.000 0.217 74 A C 2.184 179.781 177.584 0.023 0.000 1.186 74 A CA 1.360 53.410 52.037 0.023 0.000 0.624 74 A CB -0.600 18.422 19.000 0.035 0.000 0.822 74 A HN 0.247 nan 8.150 nan 0.000 0.444 75 L N -0.344 120.871 121.223 -0.014 0.000 2.056 75 L HA -0.009 4.331 4.340 0.000 0.000 0.207 75 L C 2.666 179.489 176.870 -0.078 0.000 1.078 75 L CA 2.154 56.956 54.840 -0.064 0.000 0.749 75 L CB -0.872 41.115 42.059 -0.121 0.000 0.901 75 L HN 0.344 nan 8.230 nan 0.000 0.433 76 A N -0.288 122.516 122.820 -0.027 0.000 1.883 76 A HA -0.161 4.159 4.320 0.000 0.000 0.217 76 A C 2.477 180.077 177.584 0.026 0.000 1.186 76 A CA 2.061 54.119 52.037 0.035 0.000 0.624 76 A CB -1.277 17.814 19.000 0.150 0.000 0.822 76 A HN 0.591 nan 8.150 nan 0.000 0.444 77 A N -0.170 122.668 122.820 0.030 0.000 1.883 77 A HA 0.114 4.434 4.320 0.000 0.000 0.217 77 A C 2.491 180.093 177.584 0.030 0.000 1.186 77 A CA 2.246 54.302 52.037 0.031 0.000 0.624 77 A CB -1.058 17.962 19.000 0.032 0.000 0.822 77 A HN 1.176 nan 8.150 nan 0.000 0.444 78 A N -0.848 121.995 122.820 0.039 0.000 2.070 78 A HA 0.110 4.430 4.320 0.000 0.000 0.220 78 A C 1.782 179.404 177.584 0.064 0.000 1.159 78 A CA 1.305 53.389 52.037 0.079 0.000 0.656 78 A CB -0.417 18.693 19.000 0.184 0.000 0.800 78 A HN 0.473 nan 8.150 nan 0.000 0.453 79 L N -0.740 120.481 121.223 -0.004 0.000 2.700 79 L HA 0.136 4.476 4.340 0.000 0.000 0.234 79 L C -0.205 176.649 176.870 -0.026 0.000 1.156 79 L CA -0.305 54.517 54.840 -0.031 0.000 0.946 79 L CB -0.261 41.724 42.059 -0.124 0.000 1.216 79 L HN 0.318 nan 8.230 nan 0.000 0.493 80 N N 0.819 119.518 118.700 -0.002 0.000 2.725 80 N HA -0.213 4.527 4.740 0.000 0.000 0.251 80 N C 0.505 176.019 175.510 0.007 0.000 1.031 80 N CA 0.735 53.787 53.050 0.005 0.000 0.720 80 N CB -1.384 37.104 38.487 0.001 0.000 0.930 80 N HN 0.423 nan 8.380 nan 0.000 0.543 81 L N -0.423 120.814 121.223 0.023 0.000 2.664 81 L HA 0.115 4.455 4.340 0.000 0.000 0.233 81 L C 1.972 178.945 176.870 0.172 0.000 1.113 81 L CA -0.099 54.779 54.840 0.064 0.000 0.896 81 L CB 0.084 42.133 42.059 -0.017 0.000 1.163 81 L HN 0.145 nan 8.230 nan 0.000 0.497 82 E N 0.919 121.190 120.200 0.118 0.000 2.130 82 E HA -0.205 4.145 4.350 0.000 0.000 0.196 82 E C 1.938 178.584 176.600 0.076 0.000 0.998 82 E CA 1.311 57.774 56.400 0.104 0.000 0.806 82 E CB -0.090 29.648 29.700 0.062 0.000 0.738 82 E HN 0.524 nan 8.360 nan 0.000 0.459 83 G N 0.111 108.945 108.800 0.056 0.000 2.848 83 G HA2 -0.151 3.809 3.960 0.000 0.000 0.208 83 G HA3 -0.151 3.809 3.960 0.000 0.000 0.208 83 G C 1.193 176.108 174.900 0.025 0.000 1.152 83 G CA -0.159 44.957 45.100 0.027 0.000 0.789 83 G HN 0.088 nan 8.290 nan 0.000 0.531 84 R N -0.670 119.880 120.500 0.082 0.000 2.437 84 R HA 0.306 4.646 4.340 0.000 0.000 0.257 84 R C 0.124 176.480 176.300 0.093 0.000 0.927 84 R CA -0.336 55.822 56.100 0.097 0.000 1.078 84 R CB 0.612 31.008 30.300 0.159 0.000 1.161 84 R HN 0.291 nan 8.270 nan 0.000 0.529 85 I N 2.466 123.045 120.570 0.016 0.000 2.575 85 I HA 0.104 4.274 4.170 0.000 0.000 0.285 85 I C 0.185 176.196 176.117 -0.178 0.000 1.085 85 I CA 0.103 61.293 61.300 -0.183 0.000 1.403 85 I CB 0.545 38.458 38.000 -0.144 0.000 1.409 85 I HN -0.131 nan 8.210 nan 0.000 0.557 86 R N 5.502 125.867 120.500 -0.226 0.000 2.510 86 R HA 0.617 4.957 4.340 0.000 0.000 0.294 86 R C -0.935 175.369 176.300 0.006 0.000 1.056 86 R CA -0.732 55.310 56.100 -0.097 0.000 0.918 86 R CB 1.604 31.831 30.300 -0.122 0.000 1.187 86 R HN 0.676 nan 8.270 nan 0.000 0.437 87 A N 1.861 124.700 122.820 0.031 0.000 2.272 87 A HA 0.705 5.025 4.320 0.000 0.000 0.275 87 A C 0.035 177.748 177.584 0.215 0.000 1.096 87 A CA -0.359 51.738 52.037 0.100 0.000 0.822 87 A CB 0.554 19.537 19.000 -0.029 0.000 1.088 87 A HN 0.758 nan 8.150 nan 0.000 0.495 88 A N 1.446 124.325 122.820 0.098 0.000 2.650 88 A HA 0.481 4.801 4.320 0.000 0.000 0.320 88 A C -0.124 177.434 177.584 -0.043 0.000 1.466 88 A CA -0.643 51.358 52.037 -0.060 0.000 1.099 88 A CB -0.523 18.216 19.000 -0.435 0.000 1.136 88 A HN 0.771 nan 8.150 nan 0.000 0.532 89 D N 2.802 123.243 120.400 0.069 0.000 2.403 89 D HA 0.231 4.871 4.640 0.000 0.000 0.278 89 D C -1.323 174.989 176.300 0.020 0.000 1.230 89 D CA -1.102 52.932 54.000 0.057 0.000 1.062 89 D CB -0.511 40.357 40.800 0.113 0.000 1.119 89 D HN 0.206 nan 8.370 nan 0.000 0.557 90 P HA -0.256 nan 4.420 nan 0.000 0.256 90 P C -0.690 176.621 177.300 0.019 0.000 0.820 90 P CA 2.076 65.194 63.100 0.029 0.000 1.100 90 P CB -0.051 31.661 31.700 0.020 0.000 0.800 91 A N -1.884 120.942 122.820 0.010 0.000 2.815 91 A HA 0.652 4.973 4.320 0.000 0.000 0.318 91 A C -0.253 177.336 177.584 0.010 0.000 1.186 91 A CA 0.039 52.075 52.037 -0.001 0.000 0.754 91 A CB 0.207 19.202 19.000 -0.008 0.000 1.151 91 A HN 0.428 nan 8.150 nan 0.000 0.452 92 A N 2.067 124.898 122.820 0.018 0.000 2.507 92 A HA 0.361 4.681 4.320 0.000 0.000 0.281 92 A C 0.770 178.379 177.584 0.042 0.000 1.154 92 A CA 0.527 52.594 52.037 0.050 0.000 0.828 92 A CB -0.293 18.747 19.000 0.067 0.000 1.069 92 A HN 0.716 nan 8.150 nan 0.000 0.522 93 K N 1.768 122.190 120.400 0.036 0.000 2.477 93 K HA 0.094 4.414 4.320 0.000 0.000 0.208 93 K C 0.273 176.879 176.600 0.010 0.000 1.117 93 K CA -0.193 56.096 56.287 0.004 0.000 1.039 93 K CB 0.674 33.160 32.500 -0.023 0.000 0.937 93 K HN 0.680 nan 8.250 nan 0.000 0.570 94 R N 1.150 121.671 120.500 0.035 0.000 2.615 94 R HA 0.304 4.644 4.340 0.000 0.000 0.270 94 R C -0.129 176.173 176.300 0.003 0.000 1.081 94 R CA -0.086 55.995 56.100 -0.031 0.000 1.154 94 R CB 0.768 31.020 30.300 -0.080 0.000 1.063 94 R HN -0.081 nan 8.270 nan 0.000 0.519 95 R N 0.934 121.361 120.500 -0.122 0.000 2.686 95 R HA 0.347 4.688 4.340 0.000 0.000 0.286 95 R C -1.418 174.777 176.300 -0.175 0.000 0.969 95 R CA -0.524 55.571 56.100 -0.008 0.000 0.898 95 R CB 1.444 31.772 30.300 0.047 0.000 1.183 95 R HN 0.462 nan 8.270 nan 0.000 0.456 96 Y N 0.724 121.112 120.300 0.147 0.000 2.468 96 Y HA 0.570 5.120 4.550 0.000 0.000 0.342 96 Y C -0.340 175.675 175.900 0.192 0.000 1.021 96 Y CA -0.843 57.355 58.100 0.164 0.000 1.079 96 Y CB 2.092 40.670 38.460 0.197 0.000 1.226 96 Y HN 0.126 nan 8.280 nan 0.000 0.460 97 V N 2.623 122.718 119.914 0.301 0.000 2.531 97 V HA 0.161 4.281 4.120 0.000 0.000 0.301 97 V C -1.239 174.988 176.094 0.222 0.000 1.034 97 V CA -1.215 61.238 62.300 0.255 0.000 0.865 97 V CB 1.474 33.393 31.823 0.160 0.000 0.995 97 V HN 0.657 nan 8.190 nan 0.000 0.424 98 Y N 3.963 124.349 120.300 0.143 0.000 2.531 98 Y HA 0.479 5.029 4.550 0.000 0.000 0.347 98 Y C 0.437 176.374 175.900 0.062 0.000 1.024 98 Y CA 0.920 59.054 58.100 0.056 0.000 1.306 98 Y CB 0.667 39.136 38.460 0.016 0.000 1.149 98 Y HN 0.698 nan 8.280 nan 0.000 0.527 99 T N 6.814 121.174 114.554 -0.323 0.000 3.105 99 T HA 0.353 4.703 4.350 0.000 0.000 0.321 99 T C -0.952 173.579 174.700 -0.280 0.000 1.135 99 T CA -0.775 61.215 62.100 -0.183 0.000 1.053 99 T CB 0.550 69.400 68.868 -0.030 0.000 1.133 99 T HN 0.776 nan 8.240 nan 0.000 0.463 100 R N 2.909 123.295 120.500 -0.190 0.000 3.146 100 R HA -0.204 4.137 4.340 0.000 0.000 0.250 100 R C 1.050 177.215 176.300 -0.225 0.000 0.912 100 R CA 1.003 57.014 56.100 -0.148 0.000 0.633 100 R CB -1.877 28.368 30.300 -0.092 0.000 1.180 100 R HN 1.533 nan 8.270 nan 0.000 0.464 101 G N -0.205 108.413 108.800 -0.304 0.000 2.179 101 G HA2 -0.392 3.569 3.960 0.000 0.000 0.260 101 G HA3 -0.392 3.569 3.960 0.000 0.000 0.260 101 G C 0.064 174.785 174.900 -0.298 0.000 0.977 101 G CA 0.691 45.669 45.100 -0.203 0.000 0.641 101 G HN 0.819 nan 8.290 nan 0.000 0.533 102 R N -1.247 118.855 120.500 -0.662 0.000 2.753 102 R HA 0.532 4.872 4.340 0.000 0.000 0.272 102 R C -1.183 174.858 176.300 -0.432 0.000 1.034 102 R CA -1.153 54.713 56.100 -0.390 0.000 0.869 102 R CB 0.139 30.341 30.300 -0.164 0.000 1.264 102 R HN 0.228 nan 8.270 nan 0.000 0.481 103 L N 3.048 124.193 121.223 -0.130 0.000 2.410 103 L HA 0.399 4.739 4.340 0.000 0.000 0.273 103 L C 0.149 177.090 176.870 0.119 0.000 1.144 103 L CA 0.032 54.874 54.840 0.003 0.000 0.863 103 L CB 0.555 42.565 42.059 -0.081 0.000 1.140 103 L HN 0.527 nan 8.230 nan 0.000 0.463 104 R N 2.139 122.753 120.500 0.190 0.000 2.621 104 R HA 0.340 4.680 4.340 0.000 0.000 0.292 104 R C -0.669 175.699 176.300 0.114 0.000 0.969 104 R CA -0.688 55.503 56.100 0.151 0.000 0.887 104 R CB 2.128 32.444 30.300 0.026 0.000 1.180 104 R HN 0.510 nan 8.270 nan 0.000 0.450 105 S N 1.435 117.101 115.700 -0.056 0.000 2.549 105 S HA 0.136 4.606 4.470 0.000 0.000 0.279 105 S C 0.116 174.612 174.600 -0.172 0.000 1.321 105 S CA -0.542 57.427 58.200 -0.385 0.000 1.054 105 S CB 0.572 63.562 63.200 -0.349 0.000 0.899 105 S HN 0.317 nan 8.310 nan 0.000 0.497 106 V N 8.433 128.243 119.914 -0.173 0.000 2.408 106 V HA 0.291 4.411 4.120 0.000 0.000 0.267 106 V C -1.918 174.159 176.094 -0.029 0.000 1.047 106 V CA -1.621 60.651 62.300 -0.046 0.000 0.937 106 V CB 0.485 32.298 31.823 -0.017 0.000 0.999 106 V HN 0.762 nan 8.190 nan 0.000 0.472 107 P HA 0.223 nan 4.420 nan 0.000 0.268 107 P C 0.359 177.684 177.300 0.041 0.000 1.205 107 P CA -0.087 63.048 63.100 0.059 0.000 0.771 107 P CB 1.021 32.822 31.700 0.168 0.000 0.858 108 A N 1.665 124.494 122.820 0.015 0.000 2.140 108 A HA 0.233 4.553 4.320 0.000 0.000 0.209 108 A C 0.812 178.393 177.584 -0.006 0.000 1.181 108 A CA 0.709 52.742 52.037 -0.007 0.000 0.824 108 A CB -0.234 18.754 19.000 -0.020 0.000 0.879 108 A HN 0.587 nan 8.150 nan 0.000 0.480 109 S N -1.847 113.863 115.700 0.017 0.000 2.638 109 S HA 0.603 5.073 4.470 0.000 0.000 0.302 109 S C -2.383 172.246 174.600 0.048 0.000 1.096 109 S CA -1.265 56.943 58.200 0.014 0.000 0.953 109 S CB 1.687 64.893 63.200 0.011 0.000 1.107 109 S HN -0.089 nan 8.310 nan 0.000 0.503 110 P HA -0.014 nan 4.420 nan 0.000 0.215 110 P C -1.403 175.968 177.300 0.118 0.000 1.157 110 P CA 1.454 64.590 63.100 0.060 0.000 0.868 110 P CB -1.143 30.563 31.700 0.010 0.000 0.788 111 P HA -0.156 nan 4.420 nan 0.000 0.215 111 P C 1.384 178.720 177.300 0.060 0.000 1.153 111 P CA 1.925 65.059 63.100 0.057 0.000 0.853 111 P CB -0.506 31.211 31.700 0.029 0.000 0.788 112 A N -0.635 122.223 122.820 0.063 0.000 1.930 112 A HA -0.154 4.166 4.320 0.000 0.000 0.217 112 A C 2.131 179.752 177.584 0.061 0.000 1.175 112 A CA 1.102 53.167 52.037 0.046 0.000 0.627 112 A CB -1.764 17.257 19.000 0.036 0.000 0.815 112 A HN 0.158 nan 8.150 nan 0.000 0.443 113 F N 0.727 120.664 119.950 -0.022 0.000 2.134 113 F HA -0.140 4.387 4.527 0.000 0.000 0.299 113 F C 1.747 177.538 175.800 -0.014 0.000 1.097 113 F CA 1.767 59.755 58.000 -0.020 0.000 1.264 113 F CB -0.255 38.733 39.000 -0.021 0.000 1.001 113 F HN 0.135 nan 8.300 nan 0.000 0.479 114 L N -0.095 121.097 121.223 -0.051 0.000 2.201 114 L HA -0.104 4.236 4.340 0.000 0.000 0.212 114 L C 2.555 179.320 176.870 -0.175 0.000 1.105 114 L CA 1.004 55.760 54.840 -0.140 0.000 0.775 114 L CB -0.918 41.163 42.059 0.035 0.000 0.913 114 L HN 0.271 nan 8.230 nan 0.000 0.440 115 A N -1.383 121.364 122.820 -0.123 0.000 2.178 115 A HA 0.038 4.358 4.320 0.000 0.000 0.211 115 A C 1.433 178.939 177.584 -0.129 0.000 1.157 115 A CA 0.136 52.113 52.037 -0.100 0.000 0.780 115 A CB -0.102 18.867 19.000 -0.052 0.000 0.828 115 A HN 0.268 nan 8.150 nan 0.000 0.476 116 S N 0.626 116.213 115.700 -0.189 0.000 2.584 116 S HA 0.170 4.640 4.470 0.000 0.000 0.270 116 S C 0.673 175.166 174.600 -0.178 0.000 1.346 116 S CA 0.337 58.433 58.200 -0.172 0.000 1.018 116 S CB 0.478 63.564 63.200 -0.190 0.000 0.899 116 S HN 0.522 nan 8.310 nan 0.000 0.542 117 D N 2.574 122.904 120.400 -0.116 0.000 2.368 117 D HA 0.025 4.665 4.640 0.000 0.000 0.218 117 D C 1.227 177.476 176.300 -0.084 0.000 1.112 117 D CA -0.249 53.692 54.000 -0.098 0.000 0.834 117 D CB -0.342 40.418 40.800 -0.067 0.000 0.953 117 D HN 0.415 nan 8.370 nan 0.000 0.505 118 I N 0.048 120.566 120.570 -0.086 0.000 2.264 118 I HA -0.044 4.126 4.170 0.000 0.000 0.248 118 I C 0.197 176.298 176.117 -0.027 0.000 1.111 118 I CA 1.339 62.617 61.300 -0.037 0.000 1.382 118 I CB 0.123 38.130 38.000 0.012 0.000 1.060 118 I HN 0.069 nan 8.210 nan 0.000 0.418 119 L N 0.610 121.792 121.223 -0.068 0.000 2.350 119 L HA 0.484 4.824 4.340 0.000 0.000 0.260 119 L C -2.382 174.445 176.870 -0.071 0.000 1.015 119 L CA -2.096 52.722 54.840 -0.037 0.000 0.821 119 L CB 1.686 43.757 42.059 0.020 0.000 1.370 119 L HN -0.211 nan 8.230 nan 0.000 0.416 120 P HA 0.026 nan 4.420 nan 0.000 0.272 120 P C 0.535 177.806 177.300 -0.049 0.000 1.240 120 P CA -0.450 62.625 63.100 -0.042 0.000 0.791 120 P CB 1.111 32.799 31.700 -0.020 0.000 0.978 121 L N 2.309 123.503 121.223 -0.049 0.000 2.042 121 L HA -0.080 4.260 4.340 0.000 0.000 0.210 121 L C 2.432 179.289 176.870 -0.021 0.000 1.076 121 L CA 2.784 57.594 54.840 -0.051 0.000 0.749 121 L CB -1.677 40.356 42.059 -0.042 0.000 0.893 121 L HN 0.555 nan 8.230 nan 0.000 0.432 122 G N -1.292 107.504 108.800 -0.006 0.000 2.422 122 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 122 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 122 G C 1.588 176.509 174.900 0.034 0.000 1.146 122 G CA 0.750 45.857 45.100 0.012 0.000 0.769 122 G HN 0.655 nan 8.290 nan 0.000 0.547 123 A N 0.762 123.604 122.820 0.036 0.000 1.902 123 A HA 0.022 4.342 4.320 0.000 0.000 0.217 123 A C 2.424 180.081 177.584 0.123 0.000 1.181 123 A CA 1.556 53.637 52.037 0.073 0.000 0.623 123 A CB -0.380 18.660 19.000 0.066 0.000 0.818 123 A HN 0.337 nan 8.150 nan 0.000 0.443 124 R N -0.638 119.907 120.500 0.075 0.000 2.081 124 R HA -0.032 4.308 4.340 0.000 0.000 0.235 124 R C 2.025 178.451 176.300 0.210 0.000 1.131 124 R CA 1.456 57.624 56.100 0.113 0.000 0.960 124 R CB -0.481 29.677 30.300 -0.238 0.000 0.856 124 R HN 0.521 nan 8.270 nan 0.000 0.436 125 L N 0.020 121.307 121.223 0.106 0.000 2.141 125 L HA -0.131 4.209 4.340 0.000 0.000 0.209 125 L C 2.548 179.492 176.870 0.122 0.000 1.094 125 L CA 0.880 55.784 54.840 0.107 0.000 0.763 125 L CB -0.301 41.796 42.059 0.064 0.000 0.908 125 L HN 0.050 nan 8.230 nan 0.000 0.437 126 R N 0.325 120.894 120.500 0.115 0.000 2.115 126 R HA -0.099 4.242 4.340 0.000 0.000 0.230 126 R C 1.948 178.316 176.300 0.113 0.000 1.111 126 R CA 1.410 57.576 56.100 0.109 0.000 0.976 126 R CB -0.842 29.514 30.300 0.094 0.000 0.870 126 R HN 0.135 nan 8.270 nan 0.000 0.445 127 V N 0.764 120.763 119.914 0.141 0.000 2.307 127 V HA -0.176 3.944 4.120 0.000 0.000 0.245 127 V C 2.375 178.495 176.094 0.043 0.000 1.045 127 V CA 1.863 64.211 62.300 0.079 0.000 1.024 127 V CB -1.065 30.790 31.823 0.053 0.000 0.651 127 V HN 0.495 nan 8.190 nan 0.000 0.449 128 A N 0.767 123.648 122.820 0.101 0.000 1.948 128 A HA -0.157 4.164 4.320 0.000 0.000 0.220 128 A C 2.282 179.896 177.584 0.051 0.000 1.177 128 A CA 1.914 53.991 52.037 0.067 0.000 0.636 128 A CB -1.184 17.880 19.000 0.107 0.000 0.815 128 A HN 0.587 nan 8.150 nan 0.000 0.449 129 G N -0.876 107.994 108.800 0.117 0.000 2.708 129 G HA2 -0.119 3.841 3.960 0.000 0.000 0.210 129 G HA3 -0.119 3.841 3.960 0.000 0.000 0.210 129 G C 1.188 176.151 174.900 0.105 0.000 1.141 129 G CA 0.737 45.960 45.100 0.206 0.000 0.788 129 G HN 0.545 nan 8.290 nan 0.000 0.531 130 E N 0.525 120.729 120.200 0.007 0.000 2.265 130 E HA -0.085 4.265 4.350 0.000 0.000 0.196 130 E C 2.347 178.884 176.600 -0.105 0.000 0.996 130 E CA 0.371 56.759 56.400 -0.020 0.000 0.832 130 E CB -0.177 29.514 29.700 -0.015 0.000 0.756 130 E HN 0.512 nan 8.360 nan 0.000 0.491 131 L N -0.507 120.556 121.223 -0.266 0.000 2.189 131 L HA -0.177 4.163 4.340 0.000 0.000 0.214 131 L C 1.447 177.953 176.870 -0.607 0.000 1.097 131 L CA 1.123 55.653 54.840 -0.517 0.000 0.764 131 L CB -0.274 41.290 42.059 -0.826 0.000 0.900 131 L HN 0.105 nan 8.230 nan 0.000 0.436 132 F N -1.785 118.156 119.950 -0.014 0.000 2.668 132 F HA 0.188 4.715 4.527 0.000 0.000 0.301 132 F C 1.307 177.073 175.800 -0.057 0.000 1.106 132 F CA -0.574 57.411 58.000 -0.026 0.000 1.289 132 F CB -0.089 38.900 39.000 -0.019 0.000 1.006 132 F HN -0.225 nan 8.300 nan 0.000 0.535 133 S N 1.764 117.463 115.700 -0.002 0.000 2.593 133 S HA 0.006 4.476 4.470 0.000 0.000 0.300 133 S C 0.783 175.312 174.600 -0.118 0.000 1.267 133 S CA -0.170 57.948 58.200 -0.137 0.000 1.065 133 S CB 0.175 63.166 63.200 -0.348 0.000 0.807 133 S HN 0.313 nan 8.310 nan 0.000 0.499 134 R N 1.840 122.262 120.500 -0.130 0.000 2.738 134 R HA 0.160 4.500 4.340 0.000 0.000 0.268 134 R C 0.540 176.767 176.300 -0.123 0.000 1.062 134 R CA -0.310 55.736 56.100 -0.090 0.000 1.158 134 R CB 0.391 30.650 30.300 -0.068 0.000 1.046 134 R HN 0.577 nan 8.270 nan 0.000 0.493 135 R N 0.661 121.124 120.500 -0.062 0.000 2.698 135 R HA 0.009 4.349 4.340 0.000 0.000 0.266 135 R C 0.112 176.386 176.300 -0.045 0.000 1.026 135 R CA 0.025 56.101 56.100 -0.040 0.000 1.102 135 R CB 0.230 30.524 30.300 -0.010 0.000 0.978 135 R HN 0.599 nan 8.270 nan 0.000 0.436 136 A N 4.529 127.344 122.820 -0.008 0.000 2.483 136 A HA 0.188 4.508 4.320 0.000 0.000 0.238 136 A C -1.840 175.763 177.584 0.032 0.000 1.070 136 A CA -1.167 50.888 52.037 0.030 0.000 0.770 136 A CB -0.327 18.736 19.000 0.106 0.000 1.008 136 A HN 0.499 nan 8.150 nan 0.000 0.497 137 P HA 0.078 nan 4.420 nan 0.000 0.266 137 P C -0.542 176.783 177.300 0.041 0.000 1.215 137 P CA 0.103 63.225 63.100 0.036 0.000 0.763 137 P CB 0.452 32.177 31.700 0.041 0.000 0.806 138 E N 2.233 122.452 120.200 0.031 0.000 2.299 138 E HA 0.187 4.537 4.350 0.000 0.000 0.272 138 E C 1.457 178.075 176.600 0.030 0.000 1.043 138 E CA 0.468 56.886 56.400 0.030 0.000 0.895 138 E CB 0.095 29.808 29.700 0.022 0.000 1.011 138 E HN 0.783 nan 8.360 nan 0.000 0.432 139 G N 2.197 111.016 108.800 0.032 0.000 2.168 139 G HA2 -0.280 3.680 3.960 0.000 0.000 0.257 139 G HA3 -0.280 3.680 3.960 0.000 0.000 0.257 139 G C 0.268 175.187 174.900 0.031 0.000 0.997 139 G CA 0.607 45.725 45.100 0.029 0.000 0.708 139 G HN 0.519 nan 8.290 nan 0.000 0.520 140 V N -0.956 118.982 119.914 0.040 0.000 2.483 140 V HA 0.714 4.834 4.120 0.000 0.000 0.295 140 V C -0.011 176.114 176.094 0.052 0.000 1.035 140 V CA -0.613 61.713 62.300 0.043 0.000 0.896 140 V CB 1.944 33.792 31.823 0.042 0.000 0.986 140 V HN 0.187 nan 8.190 nan 0.000 0.447 141 D N 4.706 125.132 120.400 0.045 0.000 2.416 141 D HA 0.139 4.779 4.640 0.000 0.000 0.240 141 D C 0.240 176.573 176.300 0.055 0.000 1.250 141 D CA 0.286 54.313 54.000 0.046 0.000 0.967 141 D CB 0.213 41.034 40.800 0.034 0.000 1.059 141 D HN 0.821 nan 8.370 nan 0.000 0.512 142 E N 1.666 121.914 120.200 0.078 0.000 2.392 142 E HA 0.119 4.470 4.350 0.000 0.000 0.264 142 E C -0.004 176.648 176.600 0.087 0.000 1.024 142 E CA -0.387 56.074 56.400 0.102 0.000 0.903 142 E CB 0.598 30.402 29.700 0.172 0.000 0.963 142 E HN 0.527 nan 8.360 nan 0.000 0.432 143 S N 3.762 119.512 115.700 0.084 0.000 2.603 143 S HA 0.056 4.526 4.470 0.000 0.000 0.268 143 S C 1.322 175.982 174.600 0.100 0.000 1.317 143 S CA -0.779 57.461 58.200 0.067 0.000 1.012 143 S CB 0.992 64.223 63.200 0.052 0.000 0.926 143 S HN 0.724 nan 8.310 nan 0.000 0.539 144 L N 1.417 122.682 121.223 0.070 0.000 2.042 144 L HA -0.137 4.203 4.340 0.000 0.000 0.210 144 L C 2.823 179.779 176.870 0.142 0.000 1.076 144 L CA 1.948 56.844 54.840 0.093 0.000 0.749 144 L CB -1.096 41.013 42.059 0.083 0.000 0.893 144 L HN 1.006 nan 8.230 nan 0.000 0.432 145 A N -0.486 122.389 122.820 0.091 0.000 1.898 145 A HA -0.154 4.166 4.320 0.000 0.000 0.216 145 A C 2.437 180.051 177.584 0.050 0.000 1.181 145 A CA 1.560 53.632 52.037 0.058 0.000 0.620 145 A CB -0.686 18.330 19.000 0.026 0.000 0.819 145 A HN 0.499 nan 8.150 nan 0.000 0.442 146 A N -1.250 121.613 122.820 0.071 0.000 1.933 146 A HA -0.063 4.257 4.320 0.000 0.000 0.218 146 A C 2.052 179.705 177.584 0.115 0.000 1.175 146 A CA 1.588 53.664 52.037 0.065 0.000 0.628 146 A CB -0.711 18.333 19.000 0.074 0.000 0.814 146 A HN 0.694 nan 8.150 nan 0.000 0.444 147 F N 1.023 120.998 119.950 0.043 0.000 2.134 147 F HA -0.004 4.523 4.527 0.000 0.000 0.299 147 F C 2.264 178.140 175.800 0.126 0.000 1.097 147 F CA 1.584 59.649 58.000 0.108 0.000 1.264 147 F CB -0.534 38.522 39.000 0.093 0.000 1.001 147 F HN 0.203 nan 8.300 nan 0.000 0.479 148 G N -0.022 108.921 108.800 0.237 0.000 2.402 148 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 148 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 148 G C 1.796 176.698 174.900 0.005 0.000 1.162 148 G CA 0.519 45.684 45.100 0.109 0.000 0.777 148 G HN 0.284 nan 8.290 nan 0.000 0.539 149 R N -0.324 120.149 120.500 -0.046 0.000 2.083 149 R HA 0.004 4.344 4.340 0.000 0.000 0.237 149 R C 2.692 178.967 176.300 -0.042 0.000 1.137 149 R CA 1.353 57.386 56.100 -0.111 0.000 0.951 149 R CB -0.247 29.921 30.300 -0.221 0.000 0.851 149 R HN 0.233 nan 8.270 nan 0.000 0.434 150 R N -0.556 119.894 120.500 -0.083 0.000 2.066 150 R HA -0.110 4.230 4.340 0.000 0.000 0.232 150 R C 2.133 178.292 176.300 -0.234 0.000 1.131 150 R CA 1.366 57.373 56.100 -0.155 0.000 0.955 150 R CB -0.039 30.127 30.300 -0.224 0.000 0.851 150 R HN 0.389 nan 8.270 nan 0.000 0.432 151 H N -0.898 118.023 119.070 -0.248 0.000 2.355 151 H HA -0.022 4.534 4.556 0.000 0.000 0.303 151 H C 1.515 176.767 175.328 -0.128 0.000 1.061 151 H CA 1.140 57.037 56.048 -0.251 0.000 1.368 151 H CB 0.457 29.948 29.762 -0.451 0.000 1.412 151 H HN 0.121 nan 8.280 nan 0.000 0.523 152 L N -0.848 120.397 121.223 0.036 0.000 2.575 152 L HA 0.269 4.609 4.340 0.000 0.000 0.228 152 L C 0.984 177.892 176.870 0.063 0.000 1.075 152 L CA 0.941 55.801 54.840 0.034 0.000 0.867 152 L CB 0.077 42.147 42.059 0.019 0.000 1.097 152 L HN 0.420 nan 8.230 nan 0.000 0.485 153 G N -1.451 107.394 108.800 0.075 0.000 2.662 153 G HA2 -0.221 3.739 3.960 0.000 0.000 0.686 153 G HA3 -0.221 3.739 3.960 0.000 0.000 0.686 153 G C 0.156 175.147 174.900 0.151 0.000 1.271 153 G CA -0.055 45.129 45.100 0.140 0.000 0.816 153 G HN 0.220 nan 8.290 nan 0.000 0.608 154 H N 0.414 119.506 119.070 0.036 0.000 2.357 154 H HA 0.031 4.587 4.556 0.000 0.000 0.301 154 H C 2.844 178.200 175.328 0.046 0.000 1.082 154 H CA 2.006 58.078 56.048 0.039 0.000 1.342 154 H CB 0.115 29.897 29.762 0.032 0.000 1.389 154 H HN 0.380 nan 8.280 nan 0.000 0.511 155 R N 0.233 120.838 120.500 0.174 0.000 2.066 155 R HA 0.029 4.370 4.340 0.000 0.000 0.232 155 R C 2.426 178.787 176.300 0.102 0.000 1.131 155 R CA 1.073 57.243 56.100 0.118 0.000 0.955 155 R CB -0.815 29.544 30.300 0.098 0.000 0.851 155 R HN 0.362 nan 8.270 nan 0.000 0.432 156 A N 0.511 123.395 122.820 0.107 0.000 1.933 156 A HA -0.140 4.180 4.320 0.000 0.000 0.218 156 A C 2.204 179.826 177.584 0.062 0.000 1.175 156 A CA 2.083 54.176 52.037 0.094 0.000 0.628 156 A CB -0.717 18.334 19.000 0.086 0.000 0.814 156 A HN 0.348 nan 8.150 nan 0.000 0.444 157 T N -0.855 113.730 114.554 0.051 0.000 2.857 157 T HA -0.116 4.234 4.350 0.000 0.000 0.266 157 T C 2.046 176.772 174.700 0.044 0.000 1.048 157 T CA 1.619 63.740 62.100 0.035 0.000 1.139 157 T CB -0.170 68.700 68.868 0.003 0.000 0.874 157 T HN 0.503 nan 8.240 nan 0.000 0.455 158 Q N 0.669 120.502 119.800 0.055 0.000 2.230 158 Q HA -0.011 4.329 4.340 0.000 0.000 0.202 158 Q C 2.211 178.254 176.000 0.071 0.000 0.963 158 Q CA 1.094 56.935 55.803 0.062 0.000 0.866 158 Q CB -0.052 28.732 28.738 0.077 0.000 0.931 158 Q HN 0.538 nan 8.270 nan 0.000 0.452 159 V N -3.330 116.628 119.914 0.074 0.000 3.013 159 V HA 0.197 4.317 4.120 0.000 0.000 0.238 159 V C 1.562 177.704 176.094 0.081 0.000 1.161 159 V CA 0.408 62.756 62.300 0.081 0.000 1.170 159 V CB -0.106 31.763 31.823 0.078 0.000 0.917 159 V HN 0.271 nan 8.190 nan 0.000 0.478 160 L N -0.561 120.705 121.223 0.071 0.000 2.262 160 L HA 0.250 4.591 4.340 0.000 0.000 0.197 160 L C 2.526 179.418 176.870 0.037 0.000 1.073 160 L CA 1.051 55.926 54.840 0.060 0.000 0.800 160 L CB -0.109 41.985 42.059 0.059 0.000 0.987 160 L HN 0.293 nan 8.230 nan 0.000 0.470 161 L N 0.145 121.382 121.223 0.024 0.000 2.046 161 L HA -0.254 4.086 4.340 0.000 0.000 0.208 161 L C 2.070 178.965 176.870 0.043 0.000 1.077 161 L CA 1.847 56.690 54.840 0.004 0.000 0.747 161 L CB -0.249 41.813 42.059 0.005 0.000 0.896 161 L HN 0.362 nan 8.230 nan 0.000 0.432 162 D N -0.295 120.141 120.400 0.059 0.000 2.117 162 D HA -0.178 4.462 4.640 0.000 0.000 0.197 162 D C 2.133 178.485 176.300 0.086 0.000 0.987 162 D CA 1.444 55.489 54.000 0.075 0.000 0.829 162 D CB 0.192 41.035 40.800 0.071 0.000 0.961 162 D HN 0.342 nan 8.370 nan 0.000 0.460 163 A N -0.120 122.751 122.820 0.085 0.000 1.908 163 A HA -0.140 4.180 4.320 0.000 0.000 0.218 163 A C 2.547 180.184 177.584 0.088 0.000 1.181 163 A CA 1.699 53.792 52.037 0.092 0.000 0.627 163 A CB -0.928 18.133 19.000 0.102 0.000 0.818 163 A HN 0.212 nan 8.150 nan 0.000 0.445 164 V N 0.941 120.903 119.914 0.080 0.000 2.287 164 V HA -0.346 3.774 4.120 0.000 0.000 0.248 164 V C 2.865 179.061 176.094 0.169 0.000 1.053 164 V CA 2.536 64.892 62.300 0.093 0.000 1.027 164 V CB -0.973 30.871 31.823 0.034 0.000 0.646 164 V HN 0.922 nan 8.190 nan 0.000 0.447 165 Q N -0.305 119.621 119.800 0.210 0.000 2.172 165 Q HA -0.123 4.217 4.340 0.000 0.000 0.200 165 Q C 1.863 177.975 176.000 0.188 0.000 0.964 165 Q CA 2.223 58.207 55.803 0.302 0.000 0.855 165 Q CB -1.265 27.662 28.738 0.315 0.000 0.918 165 Q HN 0.466 nan 8.270 nan 0.000 0.444 166 T N 0.593 115.219 114.554 0.120 0.000 2.684 166 T HA -0.129 4.221 4.350 0.000 0.000 0.267 166 T C 1.716 176.437 174.700 0.035 0.000 1.036 166 T CA 1.643 63.788 62.100 0.075 0.000 1.148 166 T CB -0.797 68.112 68.868 0.069 0.000 0.863 166 T HN 0.665 nan 8.240 nan 0.000 0.436 167 G N -0.084 108.735 108.800 0.032 0.000 2.679 167 G HA2 0.085 4.045 3.960 0.000 0.000 0.212 167 G HA3 0.085 4.045 3.960 0.000 0.000 0.212 167 G C 1.311 176.173 174.900 -0.063 0.000 1.137 167 G CA 0.179 45.279 45.100 0.001 0.000 0.787 167 G HN 0.503 nan 8.290 nan 0.000 0.534 168 I N -2.267 118.226 120.570 -0.129 0.000 3.300 168 I HA 0.194 4.364 4.170 0.000 0.000 0.279 168 I C 1.536 177.296 176.117 -0.595 0.000 1.172 168 I CA 0.321 61.373 61.300 -0.412 0.000 1.431 168 I CB 0.399 38.036 38.000 -0.604 0.000 1.240 168 I HN 0.080 nan 8.210 nan 0.000 0.453 169 Y N 0.684 120.910 120.300 -0.123 0.000 2.426 169 Y HA 0.535 5.085 4.550 0.000 0.000 0.249 169 Y C 1.397 177.229 175.900 -0.114 0.000 1.103 169 Y CA 0.135 58.132 58.100 -0.173 0.000 1.256 169 Y CB 0.336 38.664 38.460 -0.219 0.000 1.208 169 Y HN 0.064 nan 8.280 nan 0.000 0.519 170 A N 1.268 124.120 122.820 0.052 0.000 2.560 170 A HA -0.095 4.225 4.320 0.000 0.000 0.299 170 A C 0.921 178.535 177.584 0.051 0.000 1.484 170 A CA 0.959 53.020 52.037 0.040 0.000 0.749 170 A CB -1.728 17.280 19.000 0.013 0.000 1.072 170 A HN 0.592 nan 8.150 nan 0.000 0.426 171 G N -1.052 107.790 108.800 0.070 0.000 3.008 171 G HA2 0.583 4.543 3.960 0.000 0.000 0.181 171 G HA3 0.583 4.543 3.960 0.000 0.000 0.181 171 G C -0.755 174.165 174.900 0.034 0.000 1.309 171 G CA 0.431 45.554 45.100 0.038 0.000 1.009 171 G HN 0.564 nan 8.290 nan 0.000 0.584 172 D N -0.743 119.667 120.400 0.017 0.000 2.471 172 D HA 0.251 4.891 4.640 0.000 0.000 0.245 172 D C 1.105 177.417 176.300 0.021 0.000 1.116 172 D CA -0.663 53.351 54.000 0.023 0.000 0.853 172 D CB 1.755 42.566 40.800 0.019 0.000 1.123 172 D HN 0.063 nan 8.370 nan 0.000 0.540 173 V N 4.357 124.293 119.914 0.038 0.000 2.546 173 V HA -0.176 3.944 4.120 0.000 0.000 0.254 173 V C 1.609 177.723 176.094 0.034 0.000 1.076 173 V CA 1.823 64.150 62.300 0.044 0.000 1.087 173 V CB -0.087 31.769 31.823 0.055 0.000 0.674 173 V HN 0.526 nan 8.190 nan 0.000 0.470 174 E N -0.994 119.222 120.200 0.028 0.000 2.358 174 E HA -0.089 4.261 4.350 0.000 0.000 0.195 174 E C 2.009 178.622 176.600 0.021 0.000 1.010 174 E CA 0.548 56.963 56.400 0.026 0.000 0.856 174 E CB 0.052 29.768 29.700 0.026 0.000 0.795 174 E HN 0.614 nan 8.360 nan 0.000 0.504 175 Q N -0.329 119.478 119.800 0.011 0.000 2.402 175 Q HA 0.210 4.550 4.340 0.000 0.000 0.231 175 Q C 0.947 176.937 176.000 -0.015 0.000 0.888 175 Q CA -0.009 55.797 55.803 0.004 0.000 0.938 175 Q CB 0.543 29.282 28.738 0.003 0.000 1.086 175 Q HN 0.234 nan 8.270 nan 0.000 0.543 176 L N 1.620 122.820 121.223 -0.038 0.000 2.453 176 L HA 0.091 4.431 4.340 0.000 0.000 0.272 176 L C 0.652 177.491 176.870 -0.052 0.000 1.182 176 L CA -0.134 54.651 54.840 -0.092 0.000 0.858 176 L CB 0.583 42.550 42.059 -0.153 0.000 1.120 176 L HN -0.046 nan 8.230 nan 0.000 0.474 177 S N 2.075 117.736 115.700 -0.065 0.000 2.465 177 S HA 0.102 4.572 4.470 0.000 0.000 0.279 177 S C 0.843 175.413 174.600 -0.049 0.000 1.201 177 S CA -0.676 57.508 58.200 -0.027 0.000 1.053 177 S CB 1.454 64.655 63.200 0.001 0.000 0.953 177 S HN 0.490 nan 8.310 nan 0.000 0.488 178 V N 6.058 125.948 119.914 -0.040 0.000 2.343 178 V HA -0.064 4.056 4.120 0.000 0.000 0.247 178 V C 2.438 178.478 176.094 -0.091 0.000 1.051 178 V CA 2.635 64.872 62.300 -0.105 0.000 1.036 178 V CB -1.078 30.534 31.823 -0.353 0.000 0.654 178 V HN 1.021 nan 8.190 nan 0.000 0.451 179 A N -0.269 122.522 122.820 -0.049 0.000 1.933 179 A HA -0.059 4.261 4.320 0.000 0.000 0.218 179 A C 2.376 179.960 177.584 -0.000 0.000 1.175 179 A CA 2.205 54.233 52.037 -0.015 0.000 0.628 179 A CB -0.876 18.132 19.000 0.013 0.000 0.814 179 A HN 0.812 nan 8.150 nan 0.000 0.444 180 A N -0.677 122.146 122.820 0.005 0.000 1.930 180 A HA 0.005 4.325 4.320 0.000 0.000 0.215 180 A C 2.384 179.984 177.584 0.027 0.000 1.176 180 A CA 2.241 54.308 52.037 0.051 0.000 0.632 180 A CB -0.940 18.109 19.000 0.081 0.000 0.819 180 A HN 0.710 nan 8.150 nan 0.000 0.445 181 T N -4.605 109.857 114.554 -0.154 0.000 3.031 181 T HA 0.248 4.598 4.350 0.000 0.000 0.254 181 T C 0.268 174.561 174.700 -0.679 0.000 1.060 181 T CA 0.347 62.170 62.100 -0.461 0.000 1.135 181 T CB -0.233 68.188 68.868 -0.746 0.000 0.896 181 T HN 0.176 nan 8.240 nan 0.000 0.472 182 F N 1.568 121.471 119.950 -0.079 0.000 2.584 182 F HA 0.449 4.976 4.527 0.000 0.000 0.328 182 F C -2.177 173.561 175.800 -0.103 0.000 1.407 182 F CA -2.508 55.435 58.000 -0.094 0.000 1.145 182 F CB 1.680 40.579 39.000 -0.168 0.000 1.440 182 F HN -0.047 nan 8.300 nan 0.000 0.580 183 P HA -0.246 nan 4.420 nan 0.000 0.216 183 P C 1.647 178.975 177.300 0.046 0.000 1.153 183 P CA 1.805 64.927 63.100 0.035 0.000 0.858 183 P CB 0.041 31.761 31.700 0.033 0.000 0.789 184 M N -2.136 117.502 119.600 0.064 0.000 2.213 184 M HA -0.059 4.421 4.480 0.000 0.000 0.263 184 M C 2.014 178.347 176.300 0.055 0.000 1.062 184 M CA 1.810 57.146 55.300 0.059 0.000 1.105 184 M CB -1.964 30.673 32.600 0.061 0.000 1.385 184 M HN -0.140 nan 8.290 nan 0.000 0.417 185 L N -0.694 120.554 121.223 0.041 0.000 2.072 185 L HA -0.077 4.263 4.340 0.000 0.000 0.205 185 L C 2.509 179.425 176.870 0.077 0.000 1.079 185 L CA 0.525 55.377 54.840 0.020 0.000 0.752 185 L CB -0.719 41.274 42.059 -0.110 0.000 0.906 185 L HN 0.154 nan 8.230 nan 0.000 0.436 186 V N 0.250 120.176 119.914 0.020 0.000 2.407 186 V HA -0.294 3.826 4.120 0.000 0.000 0.248 186 V C 2.600 178.760 176.094 0.111 0.000 1.055 186 V CA 1.730 64.083 62.300 0.089 0.000 1.049 186 V CB -0.482 31.357 31.823 0.026 0.000 0.662 186 V HN 0.426 nan 8.190 nan 0.000 0.455 187 K N -0.280 120.169 120.400 0.082 0.000 2.026 187 K HA -0.208 4.112 4.320 0.000 0.000 0.208 187 K C 2.232 178.898 176.600 0.109 0.000 1.048 187 K CA 2.075 58.410 56.287 0.081 0.000 0.929 187 K CB -0.171 32.368 32.500 0.064 0.000 0.713 187 K HN 0.426 nan 8.250 nan 0.000 0.439 188 M N 0.840 120.514 119.600 0.124 0.000 2.229 188 M HA -0.157 4.323 4.480 0.000 0.000 0.264 188 M C 1.946 178.364 176.300 0.198 0.000 1.063 188 M CA 1.557 56.961 55.300 0.173 0.000 1.114 188 M CB -0.000 32.664 32.600 0.106 0.000 1.387 188 M HN 0.192 nan 8.290 nan 0.000 0.420 189 E N 0.099 120.411 120.200 0.187 0.000 2.072 189 E HA -0.282 4.068 4.350 0.000 0.000 0.191 189 E C 2.039 178.734 176.600 0.158 0.000 0.985 189 E CA 1.264 57.796 56.400 0.219 0.000 0.801 189 E CB -0.054 29.848 29.700 0.335 0.000 0.750 189 E HN 0.420 nan 8.360 nan 0.000 0.452 190 R N 0.906 121.481 120.500 0.125 0.000 2.091 190 R HA -0.152 4.188 4.340 0.000 0.000 0.238 190 R C 1.907 178.216 176.300 0.016 0.000 1.136 190 R CA 2.180 58.322 56.100 0.070 0.000 0.959 190 R CB -0.073 30.262 30.300 0.058 0.000 0.856 190 R HN 0.268 nan 8.270 nan 0.000 0.437 191 E N -1.848 118.353 120.200 0.001 0.000 2.230 191 E HA -0.069 4.281 4.350 0.000 0.000 0.192 191 E C 0.979 177.317 176.600 -0.437 0.000 0.987 191 E CA 0.853 57.140 56.400 -0.188 0.000 0.841 191 E CB 0.240 29.848 29.700 -0.152 0.000 0.783 191 E HN 0.544 nan 8.360 nan 0.000 0.481 192 H N -1.622 117.469 119.070 0.035 0.000 3.535 192 H HA 0.293 4.849 4.556 0.000 0.000 0.260 192 H C 1.006 176.351 175.328 0.028 0.000 1.173 192 H CA 0.292 56.355 56.048 0.024 0.000 1.168 192 H CB 1.136 30.907 29.762 0.015 0.000 1.568 192 H HN 0.025 nan 8.280 nan 0.000 0.602 193 R N 0.474 121.057 120.500 0.138 0.000 1.242 193 R HA -0.208 4.132 4.340 0.000 0.000 0.031 193 R C 0.549 176.940 176.300 0.152 0.000 0.958 193 R CA 1.535 57.699 56.100 0.108 0.000 1.982 193 R CB -1.347 28.982 30.300 0.050 0.000 0.179 193 R HN 0.197 nan 8.270 nan 0.000 0.729 194 S N 0.403 116.168 115.700 0.109 0.000 2.525 194 S HA 0.394 4.864 4.470 0.000 0.000 0.278 194 S C 1.192 175.826 174.600 0.057 0.000 1.234 194 S CA -0.739 57.509 58.200 0.080 0.000 1.058 194 S CB 1.402 64.587 63.200 -0.026 0.000 0.983 194 S HN 0.298 nan 8.310 nan 0.000 0.495 195 L N 5.670 126.905 121.223 0.020 0.000 2.056 195 L HA 0.064 4.404 4.340 0.000 0.000 0.207 195 L C 2.177 178.999 176.870 -0.079 0.000 1.078 195 L CA 1.448 56.259 54.840 -0.048 0.000 0.749 195 L CB -1.117 40.877 42.059 -0.109 0.000 0.901 195 L HN 0.761 nan 8.230 nan 0.000 0.433 196 I N -1.204 119.316 120.570 -0.084 0.000 2.127 196 I HA -0.340 3.830 4.170 0.000 0.000 0.241 196 I C 2.421 178.474 176.117 -0.107 0.000 1.075 196 I CA 1.034 62.273 61.300 -0.101 0.000 1.334 196 I CB -0.368 37.566 38.000 -0.111 0.000 1.040 196 I HN 0.214 nan 8.210 nan 0.000 0.405 197 L N 1.267 122.431 121.223 -0.099 0.000 2.042 197 L HA -0.127 4.213 4.340 0.000 0.000 0.210 197 L C 2.460 179.229 176.870 -0.169 0.000 1.076 197 L CA 2.193 56.978 54.840 -0.091 0.000 0.749 197 L CB -1.355 40.681 42.059 -0.039 0.000 0.893 197 L HN 0.226 nan 8.230 nan 0.000 0.432 198 G N -1.461 107.207 108.800 -0.220 0.000 2.440 198 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 198 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 198 G C 1.578 176.267 174.900 -0.352 0.000 1.154 198 G CA 0.871 45.669 45.100 -0.502 0.000 0.767 198 G HN 0.590 nan 8.290 nan 0.000 0.552 199 A N 0.440 123.144 122.820 -0.194 0.000 1.930 199 A HA 0.206 4.526 4.320 0.000 0.000 0.215 199 A C 2.376 179.889 177.584 -0.119 0.000 1.176 199 A CA 0.936 52.891 52.037 -0.137 0.000 0.632 199 A CB -0.239 18.699 19.000 -0.103 0.000 0.819 199 A HN 0.355 nan 8.150 nan 0.000 0.445 200 I N -0.596 119.906 120.570 -0.114 0.000 2.163 200 I HA -0.293 3.877 4.170 0.000 0.000 0.243 200 I C 2.740 178.807 176.117 -0.084 0.000 1.085 200 I CA 1.547 62.796 61.300 -0.084 0.000 1.347 200 I CB -0.325 37.632 38.000 -0.071 0.000 1.044 200 I HN 0.256 nan 8.210 nan 0.000 0.408 201 R N 0.603 121.031 120.500 -0.120 0.000 2.096 201 R HA -0.099 4.241 4.340 0.000 0.000 0.235 201 R C 2.425 178.676 176.300 -0.082 0.000 1.127 201 R CA 1.372 57.416 56.100 -0.094 0.000 0.968 201 R CB -0.431 29.805 30.300 -0.107 0.000 0.861 201 R HN 0.389 nan 8.270 nan 0.000 0.440 202 A N 0.808 123.555 122.820 -0.121 0.000 1.898 202 A HA -0.208 4.112 4.320 0.000 0.000 0.216 202 A C 2.092 179.648 177.584 -0.047 0.000 1.181 202 A CA 1.138 53.131 52.037 -0.074 0.000 0.620 202 A CB -0.469 18.479 19.000 -0.086 0.000 0.819 202 A HN 0.344 nan 8.150 nan 0.000 0.442 203 Q N -0.280 119.489 119.800 -0.053 0.000 2.135 203 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 203 Q C 2.176 178.160 176.000 -0.027 0.000 0.981 203 Q CA 1.879 57.660 55.803 -0.037 0.000 0.856 203 Q CB -0.150 28.564 28.738 -0.041 0.000 0.902 203 Q HN 0.628 nan 8.270 nan 0.000 0.425 204 K N -0.238 120.146 120.400 -0.027 0.000 2.057 204 K HA -0.120 4.200 4.320 0.000 0.000 0.207 204 K C 1.826 178.421 176.600 -0.008 0.000 1.049 204 K CA 1.193 57.470 56.287 -0.016 0.000 0.931 204 K CB -0.158 32.334 32.500 -0.013 0.000 0.714 204 K HN 0.259 nan 8.250 nan 0.000 0.440 205 A N 0.814 123.630 122.820 -0.007 0.000 2.121 205 A HA -0.145 4.175 4.320 0.000 0.000 0.218 205 A C 1.927 179.510 177.584 -0.002 0.000 1.154 205 A CA 1.092 53.130 52.037 0.001 0.000 0.679 205 A CB -0.249 18.755 19.000 0.008 0.000 0.795 205 A HN 0.471 nan 8.150 nan 0.000 0.458 206 Q N -0.713 119.083 119.800 -0.007 0.000 2.250 206 Q HA 0.017 4.357 4.340 0.000 0.000 0.200 206 Q C 2.032 178.028 176.000 -0.006 0.000 0.941 206 Q CA 0.430 56.229 55.803 -0.007 0.000 0.872 206 Q CB 0.063 28.795 28.738 -0.011 0.000 0.965 206 Q HN 0.653 nan 8.270 nan 0.000 0.480 207 R N -0.168 120.328 120.500 -0.007 0.000 2.237 207 R HA -0.072 4.268 4.340 0.000 0.000 0.219 207 R C 1.573 177.871 176.300 -0.003 0.000 1.080 207 R CA 0.914 57.010 56.100 -0.006 0.000 0.995 207 R CB 0.143 30.439 30.300 -0.007 0.000 0.875 207 R HN 0.320 nan 8.270 nan 0.000 0.462 208 Q N -0.136 119.664 119.800 -0.001 0.000 2.319 208 Q HA 0.234 4.574 4.340 0.000 0.000 0.202 208 Q C 0.118 176.119 176.000 0.002 0.000 0.896 208 Q CA 0.198 56.002 55.803 0.001 0.000 0.942 208 Q CB 0.851 29.591 28.738 0.003 0.000 1.083 208 Q HN 0.297 nan 8.270 nan 0.000 0.510 219 L N 2.973 124.200 121.223 0.007 0.000 2.326 219 L HA 0.179 4.519 4.340 0.000 0.000 0.278 219 L C 1.561 178.432 176.870 0.002 0.000 1.092 219 L CA -0.106 54.740 54.840 0.010 0.000 0.810 219 L CB 1.566 43.637 42.059 0.019 0.000 1.153 219 L HN 0.438 nan 8.230 nan 0.000 0.439 220 S N 0.885 116.583 115.700 -0.003 0.000 2.406 220 S HA -0.058 4.412 4.470 0.000 0.000 0.228 220 S C 1.460 176.046 174.600 -0.024 0.000 1.020 220 S CA 0.542 58.732 58.200 -0.015 0.000 0.965 220 S CB -0.130 63.057 63.200 -0.022 0.000 0.798 220 S HN 1.088 nan 8.310 nan 0.000 0.488 221 G N 1.147 109.934 108.800 -0.021 0.000 2.184 221 G HA2 -0.129 3.831 3.960 0.000 0.000 0.264 221 G HA3 -0.129 3.831 3.960 0.000 0.000 0.264 221 G C 0.229 175.090 174.900 -0.065 0.000 0.975 221 G CA 0.158 45.240 45.100 -0.031 0.000 0.642 221 G HN 1.326 nan 8.290 nan 0.000 0.536 222 A N -0.212 122.561 122.820 -0.078 0.000 2.388 222 A HA 0.691 5.011 4.320 0.000 0.000 0.257 222 A C 0.611 178.093 177.584 -0.171 0.000 1.095 222 A CA -0.039 51.932 52.037 -0.110 0.000 0.791 222 A CB 0.625 19.574 19.000 -0.084 0.000 1.029 222 A HN 1.438 nan 8.150 nan 0.000 0.489 223 L N 2.604 123.706 121.223 -0.202 0.000 2.615 223 L HA 0.208 4.548 4.340 0.000 0.000 0.271 223 L C 0.200 176.968 176.870 -0.171 0.000 1.183 223 L CA 1.241 55.931 54.840 -0.249 0.000 0.933 223 L CB -0.036 41.805 42.059 -0.363 0.000 1.199 223 L HN 0.649 nan 8.230 nan 0.000 0.487 224 S N 2.732 118.180 115.700 -0.421 0.000 2.634 224 S HA 0.813 5.283 4.470 0.000 0.000 0.296 224 S C -0.344 173.771 174.600 -0.807 0.000 1.104 224 S CA -0.547 57.281 58.200 -0.619 0.000 0.920 224 S CB 2.053 64.638 63.200 -1.025 0.000 1.111 224 S HN 0.762 nan 8.310 nan 0.000 0.493 225 T N -0.086 114.035 114.554 -0.721 0.000 2.598 225 T HA 0.737 5.087 4.350 0.000 0.000 0.289 225 T C -1.850 172.521 174.700 -0.548 0.000 1.056 225 T CA -0.478 61.282 62.100 -0.567 0.000 1.088 225 T CB 0.171 68.593 68.868 -0.744 0.000 1.519 225 T HN 0.336 nan 8.240 nan 0.000 0.488 226 F N 1.307 121.230 119.950 -0.046 0.000 2.523 226 F HA 0.338 4.865 4.527 0.000 0.000 0.329 226 F C 1.528 177.290 175.800 -0.064 0.000 1.061 226 F CA -0.615 57.362 58.000 -0.037 0.000 0.967 226 F CB 1.208 40.211 39.000 0.004 0.000 1.218 226 F HN 0.725 nan 8.300 nan 0.000 0.480 227 D N -0.107 120.287 120.400 -0.011 0.000 2.228 227 D HA -0.120 4.520 4.640 0.000 0.000 0.203 227 D C 1.552 177.901 176.300 0.083 0.000 0.988 227 D CA 1.312 55.156 54.000 -0.260 0.000 0.864 227 D CB -0.666 39.958 40.800 -0.293 0.000 0.928 227 D HN 0.625 nan 8.370 nan 0.000 0.469 228 G N -1.351 107.529 108.800 0.134 0.000 3.707 228 G HA2 0.517 4.477 3.960 0.000 0.000 0.286 228 G HA3 0.517 4.477 3.960 0.000 0.000 0.286 228 G C 0.741 175.730 174.900 0.149 0.000 1.112 228 G CA -0.004 45.179 45.100 0.138 0.000 0.861 228 G HN 0.668 nan 8.290 nan 0.000 0.534 229 G N -0.196 108.726 108.800 0.204 0.000 2.681 229 G HA2 -0.235 3.725 3.960 0.000 0.000 0.220 229 G HA3 -0.235 3.725 3.960 0.000 0.000 0.220 229 G C 0.717 175.737 174.900 0.201 0.000 1.353 229 G CA -0.185 45.008 45.100 0.156 0.000 0.872 229 G HN 0.457 nan 8.290 nan 0.000 0.557 230 L N 0.371 121.700 121.223 0.177 0.000 2.492 230 L HA 0.054 4.395 4.340 0.000 0.000 0.223 230 L C 2.949 179.843 176.870 0.039 0.000 1.132 230 L CA 0.833 55.800 54.840 0.211 0.000 0.850 230 L CB -0.271 41.908 42.059 0.200 0.000 0.966 230 L HN 0.566 nan 8.230 nan 0.000 0.454 231 Q N -0.057 119.749 119.800 0.010 0.000 2.297 231 Q HA -0.168 4.172 4.340 0.000 0.000 0.208 231 Q C 2.361 178.295 176.000 -0.111 0.000 0.981 231 Q CA 1.255 57.027 55.803 -0.051 0.000 0.876 231 Q CB -0.123 28.585 28.738 -0.049 0.000 0.921 231 Q HN 0.412 nan 8.270 nan 0.000 0.446 232 V N 0.985 120.817 119.914 -0.136 0.000 2.332 232 V HA -0.270 3.850 4.120 0.000 0.000 0.248 232 V C 2.277 178.117 176.094 -0.424 0.000 1.055 232 V CA 1.564 63.717 62.300 -0.245 0.000 1.038 232 V CB -0.554 31.138 31.823 -0.219 0.000 0.651 232 V HN 0.283 nan 8.190 nan 0.000 0.450 233 L N -0.398 120.464 121.223 -0.602 0.000 2.056 233 L HA -0.093 4.247 4.340 0.000 0.000 0.207 233 L C 2.175 178.871 176.870 -0.291 0.000 1.078 233 L CA 1.911 56.406 54.840 -0.576 0.000 0.749 233 L CB -0.491 41.241 42.059 -0.545 0.000 0.901 233 L HN 0.145 nan 8.230 nan 0.000 0.433 234 I N -0.307 120.146 120.570 -0.195 0.000 2.252 234 I HA -0.204 3.966 4.170 0.000 0.000 0.245 234 I C 2.092 178.145 176.117 -0.108 0.000 1.102 234 I CA 1.051 62.278 61.300 -0.121 0.000 1.385 234 I CB -1.515 36.439 38.000 -0.076 0.000 1.064 234 I HN 0.276 nan 8.210 nan 0.000 0.414 235 D N 1.177 121.507 120.400 -0.117 0.000 2.144 235 D HA -0.098 4.542 4.640 0.000 0.000 0.199 235 D C 2.236 178.479 176.300 -0.095 0.000 0.984 235 D CA 1.534 55.477 54.000 -0.094 0.000 0.834 235 D CB 0.034 40.781 40.800 -0.090 0.000 0.955 235 D HN 0.308 nan 8.370 nan 0.000 0.465 236 A N 0.303 123.044 122.820 -0.132 0.000 2.016 236 A HA -0.052 4.268 4.320 0.000 0.000 0.217 236 A C 2.012 179.541 177.584 -0.092 0.000 1.162 236 A CA 0.467 52.433 52.037 -0.119 0.000 0.662 236 A CB -0.267 18.633 19.000 -0.166 0.000 0.812 236 A HN 0.102 nan 8.150 nan 0.000 0.450 237 L N -0.317 120.839 121.223 -0.111 0.000 2.027 237 L HA -0.094 4.246 4.340 0.000 0.000 0.206 237 L C 2.953 179.812 176.870 -0.019 0.000 1.074 237 L CA 2.032 56.832 54.840 -0.067 0.000 0.745 237 L CB -1.561 40.446 42.059 -0.087 0.000 0.898 237 L HN 0.416 nan 8.230 nan 0.000 0.433 238 A N -0.672 122.126 122.820 -0.037 0.000 1.902 238 A HA -0.137 4.183 4.320 0.000 0.000 0.217 238 A C 2.478 180.046 177.584 -0.027 0.000 1.181 238 A CA 1.814 53.833 52.037 -0.030 0.000 0.623 238 A CB -0.700 18.277 19.000 -0.037 0.000 0.818 238 A HN 0.409 nan 8.150 nan 0.000 0.443 239 A N -0.983 121.819 122.820 -0.030 0.000 1.898 239 A HA -0.085 4.235 4.320 0.000 0.000 0.216 239 A C 2.489 180.067 177.584 -0.010 0.000 1.181 239 A CA 2.116 54.138 52.037 -0.024 0.000 0.620 239 A CB -0.930 18.053 19.000 -0.030 0.000 0.819 239 A HN 0.541 nan 8.150 nan 0.000 0.442 240 S N -0.659 115.048 115.700 0.011 0.000 2.383 240 S HA -0.040 4.430 4.470 0.000 0.000 0.227 240 S C 1.885 176.499 174.600 0.024 0.000 1.026 240 S CA 1.328 59.552 58.200 0.041 0.000 0.981 240 S CB -0.412 62.870 63.200 0.136 0.000 0.818 240 S HN 0.484 nan 8.310 nan 0.000 0.472 241 L N 0.335 121.572 121.223 0.024 0.000 2.131 241 L HA 0.190 4.530 4.340 0.000 0.000 0.206 241 L C 2.151 179.004 176.870 -0.029 0.000 1.087 241 L CA 0.554 55.396 54.840 0.003 0.000 0.767 241 L CB -1.282 40.785 42.059 0.014 0.000 0.917 241 L HN 0.591 nan 8.230 nan 0.000 0.441 242 G N 0.766 109.543 108.800 -0.039 0.000 2.620 242 G HA2 -0.416 3.544 3.960 0.000 0.000 0.315 242 G HA3 -0.416 3.544 3.960 0.000 0.000 0.315 242 G C 0.620 175.460 174.900 -0.100 0.000 1.179 242 G CA 0.634 45.701 45.100 -0.055 0.000 0.971 242 G HN 0.283 nan 8.290 nan 0.000 0.544 243 D N 1.384 121.725 120.400 -0.097 0.000 2.234 243 D HA 0.294 4.934 4.640 0.000 0.000 0.205 243 D C 2.655 178.816 176.300 -0.231 0.000 0.962 243 D CA 1.466 55.373 54.000 -0.155 0.000 0.855 243 D CB -0.546 40.216 40.800 -0.063 0.000 0.951 243 D HN 0.711 nan 8.370 nan 0.000 0.500 244 A N 0.216 122.980 122.820 -0.094 0.000 2.172 244 A HA 0.278 4.598 4.320 0.000 0.000 0.216 244 A C 1.154 178.746 177.584 0.012 0.000 1.154 244 A CA 0.790 52.830 52.037 0.005 0.000 0.701 244 A CB -0.063 18.950 19.000 0.021 0.000 0.789 244 A HN 0.162 nan 8.150 nan 0.000 0.465 245 A N 0.382 123.127 122.820 -0.126 0.000 2.303 245 A HA 0.617 4.937 4.320 0.000 0.000 0.320 245 A C -0.694 176.764 177.584 -0.210 0.000 1.192 245 A CA -0.513 51.487 52.037 -0.061 0.000 0.821 245 A CB 0.408 19.389 19.000 -0.032 0.000 1.188 245 A HN 0.460 nan 8.150 nan 0.000 0.492 246 H N 2.568 121.640 119.070 0.002 0.000 2.638 246 H HA 0.404 4.960 4.556 0.000 0.000 0.317 246 H C 0.009 175.329 175.328 -0.012 0.000 1.006 246 H CA -0.439 55.606 56.048 -0.005 0.000 1.222 246 H CB 1.574 31.329 29.762 -0.011 0.000 1.419 246 H HN 0.628 nan 8.280 nan 0.000 0.489 247 V N 0.181 120.130 119.914 0.059 0.000 3.036 247 V HA 0.611 4.731 4.120 0.000 0.000 0.308 247 V C 1.200 177.304 176.094 0.018 0.000 1.070 247 V CA 0.164 62.485 62.300 0.036 0.000 1.056 247 V CB 1.128 32.963 31.823 0.020 0.000 1.084 247 V HN 0.994 nan 8.190 nan 0.000 0.471 248 G N 1.255 110.058 108.800 0.005 0.000 2.168 248 G HA2 0.006 3.966 3.960 0.000 0.000 0.257 248 G HA3 0.006 3.966 3.960 0.000 0.000 0.257 248 G C 0.329 175.198 174.900 -0.052 0.000 0.997 248 G CA 0.393 45.479 45.100 -0.024 0.000 0.708 248 G HN 2.224 nan 8.290 nan 0.000 0.520 249 A N 0.194 123.000 122.820 -0.024 0.000 2.644 249 A HA 0.724 5.044 4.320 0.000 0.000 0.343 249 A C 0.463 178.036 177.584 -0.019 0.000 1.324 249 A CA -0.158 51.857 52.037 -0.036 0.000 0.846 249 A CB 0.309 19.296 19.000 -0.021 0.000 1.128 249 A HN 0.548 nan 8.150 nan 0.000 0.484 250 R N 2.435 122.923 120.500 -0.021 0.000 2.248 250 R HA 0.399 4.739 4.340 0.000 0.000 0.328 250 R C -0.922 175.369 176.300 -0.015 0.000 1.067 250 R CA -0.189 55.904 56.100 -0.011 0.000 0.924 250 R CB 0.511 30.808 30.300 -0.004 0.000 1.013 250 R HN 0.361 nan 8.270 nan 0.000 0.454 251 V N 5.595 125.499 119.914 -0.016 0.000 2.470 251 V HA 0.030 4.150 4.120 0.000 0.000 0.276 251 V C 0.773 176.858 176.094 -0.015 0.000 1.040 251 V CA 0.488 62.777 62.300 -0.017 0.000 1.008 251 V CB 1.205 33.015 31.823 -0.022 0.000 0.990 251 V HN 0.941 nan 8.190 nan 0.000 0.477 252 E N 2.884 123.079 120.200 -0.008 0.000 2.490 252 E HA 0.302 4.653 4.350 0.000 0.000 0.209 252 E C 0.774 177.376 176.600 0.003 0.000 0.971 252 E CA 0.242 56.640 56.400 -0.003 0.000 0.988 252 E CB 1.264 30.965 29.700 0.001 0.000 1.029 252 E HN 0.818 nan 8.360 nan 0.000 0.496 253 G N 0.948 109.753 108.800 0.009 0.000 2.740 253 G HA2 0.530 4.490 3.960 0.000 0.000 0.296 253 G HA3 0.530 4.490 3.960 0.000 0.000 0.296 253 G C -1.724 173.199 174.900 0.037 0.000 1.439 253 G CA -0.468 44.646 45.100 0.023 0.000 1.066 253 G HN -0.009 nan 8.290 nan 0.000 0.527 254 L N 1.704 122.959 121.223 0.054 0.000 2.356 254 L HA 0.836 5.176 4.340 0.000 0.000 0.277 254 L C -0.176 176.809 176.870 0.192 0.000 0.996 254 L CA -0.771 54.127 54.840 0.098 0.000 0.822 254 L CB 1.733 43.800 42.059 0.012 0.000 1.256 254 L HN 0.787 nan 8.230 nan 0.000 0.413 255 A N 3.981 126.979 122.820 0.296 0.000 2.572 255 A HA 0.757 5.077 4.320 0.000 0.000 0.295 255 A C -1.356 176.343 177.584 0.192 0.000 1.072 255 A CA -0.768 51.410 52.037 0.236 0.000 0.691 255 A CB 2.001 21.060 19.000 0.099 0.000 1.291 255 A HN 0.685 nan 8.150 nan 0.000 0.404 256 R N 0.761 121.196 120.500 -0.109 0.000 2.410 256 R HA 0.566 4.906 4.340 0.000 0.000 0.288 256 R C 0.240 176.348 176.300 -0.320 0.000 1.051 256 R CA 0.535 56.310 56.100 -0.543 0.000 1.021 256 R CB 0.426 30.384 30.300 -0.571 0.000 1.032 256 R HN 0.927 nan 8.270 nan 0.000 0.481 257 E N 1.198 121.173 120.200 -0.376 0.000 2.390 257 E HA 0.275 4.625 4.350 0.000 0.000 0.242 257 E C -0.508 175.959 176.600 -0.221 0.000 0.907 257 E CA -0.865 55.405 56.400 -0.217 0.000 0.884 257 E CB 0.432 30.059 29.700 -0.123 0.000 1.788 257 E HN 0.349 nan 8.360 nan 0.000 0.427 258 D N 0.360 120.678 120.400 -0.137 0.000 2.349 258 D HA -0.162 4.478 4.640 0.000 0.000 0.215 258 D C 1.398 177.629 176.300 -0.115 0.000 1.075 258 D CA 2.407 56.343 54.000 -0.107 0.000 0.934 258 D CB -0.657 40.102 40.800 -0.067 0.000 1.234 258 D HN 0.618 nan 8.370 nan 0.000 0.492 259 G N -1.039 107.710 108.800 -0.086 0.000 3.502 259 G HA2 0.472 4.432 3.960 0.000 0.000 0.267 259 G HA3 0.472 4.432 3.960 0.000 0.000 0.267 259 G C 0.394 175.255 174.900 -0.065 0.000 1.090 259 G CA 0.513 45.573 45.100 -0.067 0.000 0.795 259 G HN 0.532 nan 8.290 nan 0.000 0.535 260 G N -0.761 107.960 108.800 -0.130 0.000 2.933 260 G HA2 0.527 4.487 3.960 0.000 0.000 0.203 260 G HA3 0.527 4.487 3.960 0.000 0.000 0.203 260 G C -2.012 172.692 174.900 -0.328 0.000 1.170 260 G CA -0.952 44.093 45.100 -0.092 0.000 0.880 260 G HN 0.140 nan 8.290 nan 0.000 0.573 261 W N -0.036 121.261 121.300 -0.005 0.000 3.129 261 W HA 0.699 5.359 4.660 0.000 0.000 0.333 261 W C -0.117 176.398 176.519 -0.008 0.000 1.141 261 W CA -0.732 56.608 57.345 -0.008 0.000 1.224 261 W CB 2.120 31.575 29.460 -0.008 0.000 1.393 261 W HN 0.423 nan 8.180 nan 0.000 0.499 262 R N 3.673 124.311 120.500 0.229 0.000 2.265 262 R HA 0.630 4.970 4.340 0.000 0.000 0.328 262 R C -1.213 175.164 176.300 0.129 0.000 0.969 262 R CA -0.465 55.713 56.100 0.129 0.000 0.832 262 R CB 0.627 30.967 30.300 0.066 0.000 1.139 262 R HN 0.636 nan 8.270 nan 0.000 0.457 263 L N 5.980 127.255 121.223 0.086 0.000 2.309 263 L HA 0.489 4.829 4.340 0.000 0.000 0.282 263 L C -0.117 176.770 176.870 0.029 0.000 1.036 263 L CA -0.793 54.078 54.840 0.053 0.000 0.806 263 L CB 1.840 43.917 42.059 0.029 0.000 1.220 263 L HN 0.545 nan 8.230 nan 0.000 0.429 264 I N 4.316 124.900 120.570 0.023 0.000 2.321 264 I HA 0.395 4.565 4.170 0.000 0.000 0.291 264 I C -0.465 175.652 176.117 0.000 0.000 0.998 264 I CA -0.192 61.116 61.300 0.012 0.000 1.227 264 I CB 1.366 39.375 38.000 0.016 0.000 1.368 264 I HN 0.424 nan 8.210 nan 0.000 0.466 265 I N 5.740 126.306 120.570 -0.008 0.000 2.466 265 I HA 0.253 4.423 4.170 0.000 0.000 0.289 265 I C -0.210 175.895 176.117 -0.019 0.000 1.026 265 I CA -0.578 60.709 61.300 -0.021 0.000 1.078 265 I CB 2.087 40.063 38.000 -0.041 0.000 1.249 265 I HN 0.546 nan 8.210 nan 0.000 0.429 266 E N 6.526 126.714 120.200 -0.020 0.000 2.130 266 E HA 0.345 4.695 4.350 0.000 0.000 0.284 266 E C -0.897 175.674 176.600 -0.048 0.000 1.018 266 E CA -0.172 56.216 56.400 -0.019 0.000 0.817 266 E CB 0.975 30.671 29.700 -0.008 0.000 1.078 266 E HN 0.570 nan 8.360 nan 0.000 0.396 267 E N 3.422 123.583 120.200 -0.065 0.000 2.321 267 E HA 0.176 4.526 4.350 0.000 0.000 0.278 267 E C -0.897 175.619 176.600 -0.138 0.000 0.902 267 E CA -0.702 55.585 56.400 -0.188 0.000 0.758 267 E CB 0.591 30.141 29.700 -0.251 0.000 1.213 267 E HN 0.745 nan 8.360 nan 0.000 0.426 268 H N 1.897 120.981 119.070 0.024 0.000 3.047 268 H HA -0.219 4.337 4.556 0.000 0.000 0.263 268 H C 0.757 176.095 175.328 0.017 0.000 1.168 268 H CA 1.512 57.573 56.048 0.021 0.000 1.152 268 H CB -1.523 28.252 29.762 0.021 0.000 1.278 268 H HN 1.029 nan 8.280 nan 0.000 0.339 269 G N 0.111 108.955 108.800 0.074 0.000 2.157 269 G HA2 -0.315 3.645 3.960 0.000 0.000 0.248 269 G HA3 -0.315 3.645 3.960 0.000 0.000 0.248 269 G C 0.313 175.240 174.900 0.046 0.000 0.979 269 G CA 0.844 45.975 45.100 0.052 0.000 0.650 269 G HN 0.923 nan 8.290 nan 0.000 0.529 270 R N -1.687 118.844 120.500 0.052 0.000 2.817 270 R HA 0.824 5.164 4.340 0.000 0.000 0.268 270 R C -0.731 175.588 176.300 0.031 0.000 1.027 270 R CA -1.256 54.869 56.100 0.042 0.000 0.928 270 R CB 1.072 31.402 30.300 0.051 0.000 1.228 270 R HN 0.068 nan 8.270 nan 0.000 0.469 271 R N 0.198 120.713 120.500 0.024 0.000 2.368 271 R HA 0.652 4.992 4.340 0.000 0.000 0.302 271 R C -0.822 175.489 176.300 0.018 0.000 1.002 271 R CA 0.001 56.110 56.100 0.016 0.000 0.929 271 R CB 1.984 32.291 30.300 0.012 0.000 1.073 271 R HN 0.762 nan 8.270 nan 0.000 0.464 272 A N 2.277 125.103 122.820 0.011 0.000 2.437 272 A HA 0.627 4.947 4.320 0.000 0.000 0.292 272 A C -1.112 176.474 177.584 0.002 0.000 1.173 272 A CA -0.714 51.329 52.037 0.009 0.000 0.785 272 A CB 1.445 20.451 19.000 0.010 0.000 1.351 272 A HN 0.687 nan 8.150 nan 0.000 0.431 273 E N -0.317 119.885 120.200 0.003 0.000 2.288 273 E HA 0.623 4.973 4.350 0.000 0.000 0.268 273 E C -1.691 174.910 176.600 0.001 0.000 0.885 273 E CA -0.502 55.901 56.400 0.005 0.000 0.767 273 E CB 2.618 32.325 29.700 0.011 0.000 1.220 273 E HN 0.481 nan 8.360 nan 0.000 0.427 274 L N 1.420 122.647 121.223 0.007 0.000 2.408 274 L HA 0.498 4.838 4.340 0.000 0.000 0.268 274 L C -1.242 175.647 176.870 0.031 0.000 0.986 274 L CA -0.471 54.373 54.840 0.006 0.000 0.820 274 L CB 2.082 44.133 42.059 -0.013 0.000 1.303 274 L HN 0.513 nan 8.230 nan 0.000 0.411 275 S N 3.373 119.093 115.700 0.032 0.000 2.478 275 S HA 0.710 5.180 4.470 0.000 0.000 0.312 275 S C -0.578 174.057 174.600 0.060 0.000 1.094 275 S CA -0.579 57.651 58.200 0.051 0.000 1.081 275 S CB 1.697 64.916 63.200 0.032 0.000 1.007 275 S HN 0.453 nan 8.310 nan 0.000 0.475 276 V N 0.267 120.240 119.914 0.097 0.000 3.102 276 V HA 0.929 5.049 4.120 0.000 0.000 0.312 276 V C 0.727 176.910 176.094 0.148 0.000 1.135 276 V CA -0.746 61.616 62.300 0.104 0.000 1.022 276 V CB 1.169 33.050 31.823 0.096 0.000 1.056 276 V HN 0.750 nan 8.190 nan 0.000 0.436 277 A N 0.529 123.428 122.820 0.131 0.000 1.898 277 A HA 0.217 4.537 4.320 0.000 0.000 0.214 277 A C 0.994 178.742 177.584 0.273 0.000 1.183 277 A CA 0.968 53.100 52.037 0.157 0.000 0.622 277 A CB -0.281 18.781 19.000 0.103 0.000 0.824 277 A HN 0.901 nan 8.150 nan 0.000 0.444 278 Q N -0.514 119.417 119.800 0.218 0.000 2.331 278 Q HA 0.559 4.899 4.340 0.000 0.000 0.272 278 Q C -1.818 174.232 176.000 0.083 0.000 1.062 278 Q CA -0.580 55.347 55.803 0.207 0.000 0.806 278 Q CB 2.668 31.528 28.738 0.202 0.000 1.312 278 Q HN 0.085 nan 8.270 nan 0.000 0.431 279 V N 2.123 121.989 119.914 -0.080 0.000 2.459 279 V HA 0.390 4.510 4.120 0.000 0.000 0.295 279 V C -0.316 175.733 176.094 -0.075 0.000 1.029 279 V CA -0.720 61.486 62.300 -0.157 0.000 0.874 279 V CB 1.869 33.453 31.823 -0.398 0.000 0.985 279 V HN 0.521 nan 8.190 nan 0.000 0.438 280 V N 6.439 126.338 119.914 -0.024 0.000 2.347 280 V HA 0.412 4.532 4.120 0.000 0.000 0.280 280 V C -0.101 175.975 176.094 -0.029 0.000 1.021 280 V CA -0.450 61.851 62.300 0.002 0.000 0.847 280 V CB 1.527 33.359 31.823 0.014 0.000 0.990 280 V HN 0.630 nan 8.190 nan 0.000 0.444 281 L N 4.629 125.828 121.223 -0.041 0.000 2.261 281 L HA 0.531 4.871 4.340 0.000 0.000 0.289 281 L C 0.930 177.823 176.870 0.039 0.000 1.059 281 L CA -0.125 54.700 54.840 -0.025 0.000 0.816 281 L CB 1.262 43.287 42.059 -0.057 0.000 1.191 281 L HN 0.762 nan 8.230 nan 0.000 0.431 282 A N 2.880 125.726 122.820 0.042 0.000 2.503 282 A HA 0.598 4.918 4.320 0.000 0.000 0.263 282 A C 0.834 178.459 177.584 0.067 0.000 1.258 282 A CA -0.017 52.062 52.037 0.070 0.000 0.936 282 A CB 0.235 19.265 19.000 0.049 0.000 1.070 282 A HN 0.658 nan 8.150 nan 0.000 0.522 283 A N 0.922 123.771 122.820 0.048 0.000 2.287 283 A HA 0.660 4.980 4.320 0.000 0.000 0.273 283 A C -2.470 175.133 177.584 0.032 0.000 1.091 283 A CA -1.333 50.713 52.037 0.015 0.000 0.817 283 A CB -0.262 18.711 19.000 -0.045 0.000 1.069 283 A HN 0.223 nan 8.150 nan 0.000 0.492 284 P HA 0.239 nan 4.420 nan 0.000 0.271 284 P C 0.795 178.086 177.300 -0.014 0.000 1.233 284 P CA 0.523 63.661 63.100 0.063 0.000 0.789 284 P CB 0.542 32.310 31.700 0.112 0.000 0.951 285 A N 1.790 124.661 122.820 0.086 0.000 1.948 285 A HA -0.263 4.057 4.320 0.000 0.000 0.220 285 A C 2.022 179.623 177.584 0.027 0.000 1.177 285 A CA 2.010 54.107 52.037 0.100 0.000 0.636 285 A CB -1.739 17.406 19.000 0.241 0.000 0.815 285 A HN 0.815 nan 8.150 nan 0.000 0.449 286 H N -1.132 117.861 119.070 -0.128 0.000 2.357 286 H HA 0.105 4.661 4.556 0.000 0.000 0.301 286 H C 2.116 177.417 175.328 -0.046 0.000 1.082 286 H CA 1.596 57.587 56.048 -0.095 0.000 1.342 286 H CB -0.926 28.739 29.762 -0.160 0.000 1.389 286 H HN 0.380 nan 8.280 nan 0.000 0.511 287 A N 0.988 123.247 122.820 -0.934 0.000 1.929 287 A HA -0.085 4.235 4.320 0.000 0.000 0.216 287 A C 2.573 180.019 177.584 -0.230 0.000 1.176 287 A CA 1.785 53.470 52.037 -0.587 0.000 0.628 287 A CB -0.944 17.694 19.000 -0.603 0.000 0.816 287 A HN 0.522 nan 8.150 nan 0.000 0.444 288 T N 0.036 114.499 114.554 -0.151 0.000 2.857 288 T HA 0.084 4.434 4.350 0.000 0.000 0.266 288 T C 2.224 176.909 174.700 -0.026 0.000 1.048 288 T CA 1.226 63.298 62.100 -0.047 0.000 1.139 288 T CB -0.331 68.565 68.868 0.046 0.000 0.874 288 T HN 0.560 nan 8.240 nan 0.000 0.455 289 A N 1.837 124.651 122.820 -0.011 0.000 1.883 289 A HA -0.148 4.172 4.320 0.000 0.000 0.217 289 A C 2.208 179.789 177.584 -0.004 0.000 1.186 289 A CA 1.960 54.003 52.037 0.011 0.000 0.624 289 A CB -0.565 18.456 19.000 0.035 0.000 0.822 289 A HN 0.457 nan 8.150 nan 0.000 0.444 290 K N -0.379 120.010 120.400 -0.019 0.000 2.103 290 K HA -0.107 4.213 4.320 0.000 0.000 0.207 290 K C 1.770 178.362 176.600 -0.014 0.000 1.048 290 K CA 1.543 57.823 56.287 -0.013 0.000 0.930 290 K CB -0.300 32.187 32.500 -0.022 0.000 0.716 290 K HN 0.515 nan 8.250 nan 0.000 0.444 291 L N 0.569 121.775 121.223 -0.028 0.000 2.313 291 L HA -0.091 4.250 4.340 0.000 0.000 0.214 291 L C 1.999 178.857 176.870 -0.020 0.000 1.119 291 L CA 0.513 55.337 54.840 -0.027 0.000 0.809 291 L CB -0.075 41.955 42.059 -0.048 0.000 0.933 291 L HN 0.182 nan 8.230 nan 0.000 0.449 292 L N -1.479 119.732 121.223 -0.020 0.000 2.477 292 L HA 0.035 4.375 4.340 0.000 0.000 0.220 292 L C 2.616 179.491 176.870 0.008 0.000 1.106 292 L CA 0.039 54.870 54.840 -0.014 0.000 0.851 292 L CB -0.343 41.701 42.059 -0.026 0.000 0.994 292 L HN 0.128 nan 8.230 nan 0.000 0.462 293 R N 1.036 121.542 120.500 0.010 0.000 2.112 293 R HA -0.180 4.160 4.340 0.000 0.000 0.242 293 R C -0.419 175.894 176.300 0.022 0.000 1.137 293 R CA 1.955 58.064 56.100 0.016 0.000 0.944 293 R CB -1.825 28.484 30.300 0.015 0.000 0.857 293 R HN 0.345 nan 8.270 nan 0.000 0.435 294 P HA -0.041 nan 4.420 nan 0.000 0.233 294 P C 1.245 178.572 177.300 0.045 0.000 1.167 294 P CA 1.064 64.183 63.100 0.033 0.000 0.770 294 P CB -0.025 31.695 31.700 0.035 0.000 0.837 295 L N -1.348 119.908 121.223 0.055 0.000 2.221 295 L HA 0.261 4.601 4.340 0.000 0.000 0.202 295 L C 0.855 177.757 176.870 0.054 0.000 1.074 295 L CA 0.761 55.649 54.840 0.079 0.000 0.795 295 L CB -0.137 41.997 42.059 0.125 0.000 0.960 295 L HN -0.086 nan 8.230 nan 0.000 0.458 296 D N -0.410 120.011 120.400 0.035 0.000 2.319 296 D HA 0.006 4.647 4.640 0.000 0.000 0.237 296 D C -0.064 176.245 176.300 0.015 0.000 1.353 296 D CA -0.080 53.933 54.000 0.022 0.000 0.992 296 D CB 1.263 42.073 40.800 0.016 0.000 1.368 296 D HN 0.008 nan 8.370 nan 0.000 0.564 297 D N 2.295 122.704 120.400 0.015 0.000 2.149 297 D HA -0.163 4.478 4.640 0.000 0.000 0.198 297 D C 1.521 177.828 176.300 0.012 0.000 0.990 297 D CA 1.049 55.057 54.000 0.014 0.000 0.839 297 D CB 0.586 41.394 40.800 0.013 0.000 0.948 297 D HN 0.482 nan 8.370 nan 0.000 0.460 298 A N 0.973 123.799 122.820 0.009 0.000 1.929 298 A HA -0.057 4.264 4.320 0.000 0.000 0.216 298 A C 2.393 179.980 177.584 0.004 0.000 1.176 298 A CA 0.397 52.438 52.037 0.006 0.000 0.628 298 A CB -0.599 18.403 19.000 0.003 0.000 0.816 298 A HN 0.336 nan 8.150 nan 0.000 0.444 299 L N -0.649 120.574 121.223 0.001 0.000 2.027 299 L HA -0.164 4.176 4.340 0.000 0.000 0.206 299 L C 2.880 179.754 176.870 0.006 0.000 1.074 299 L CA 1.479 56.316 54.840 -0.005 0.000 0.745 299 L CB -0.448 41.602 42.059 -0.015 0.000 0.898 299 L HN 0.425 nan 8.230 nan 0.000 0.433 300 A N -0.452 122.375 122.820 0.011 0.000 1.969 300 A HA -0.132 4.188 4.320 0.000 0.000 0.218 300 A C 2.383 179.986 177.584 0.031 0.000 1.169 300 A CA 1.468 53.518 52.037 0.020 0.000 0.635 300 A CB -0.613 18.396 19.000 0.016 0.000 0.810 300 A HN 0.547 nan 8.150 nan 0.000 0.445 301 A N -0.276 122.560 122.820 0.026 0.000 1.930 301 A HA 0.012 4.333 4.320 0.000 0.000 0.217 301 A C 2.135 179.741 177.584 0.037 0.000 1.175 301 A CA 1.393 53.448 52.037 0.030 0.000 0.627 301 A CB -0.486 18.527 19.000 0.022 0.000 0.815 301 A HN 0.469 nan 8.150 nan 0.000 0.443 302 L N -0.760 120.482 121.223 0.030 0.000 2.072 302 L HA -0.119 4.221 4.340 0.000 0.000 0.205 302 L C 2.507 179.414 176.870 0.062 0.000 1.079 302 L CA 0.898 55.756 54.840 0.031 0.000 0.752 302 L CB -0.503 41.561 42.059 0.008 0.000 0.906 302 L HN 0.227 nan 8.230 nan 0.000 0.436 303 V N 0.158 120.120 119.914 0.080 0.000 2.343 303 V HA -0.273 3.847 4.120 0.000 0.000 0.247 303 V C 2.735 178.909 176.094 0.132 0.000 1.051 303 V CA 1.766 64.152 62.300 0.143 0.000 1.036 303 V CB -0.892 31.021 31.823 0.150 0.000 0.654 303 V HN 0.475 nan 8.190 nan 0.000 0.451 304 A N 0.558 123.435 122.820 0.094 0.000 2.019 304 A HA -0.073 4.247 4.320 0.000 0.000 0.219 304 A C 2.317 179.962 177.584 0.101 0.000 1.164 304 A CA 1.704 53.795 52.037 0.090 0.000 0.644 304 A CB -0.979 18.060 19.000 0.064 0.000 0.805 304 A HN 0.554 nan 8.150 nan 0.000 0.449 305 G N -0.447 108.409 108.800 0.093 0.000 2.598 305 G HA2 0.123 4.083 3.960 0.000 0.000 0.215 305 G HA3 0.123 4.083 3.960 0.000 0.000 0.215 305 G C 0.633 175.609 174.900 0.126 0.000 1.131 305 G CA 0.027 45.183 45.100 0.092 0.000 0.785 305 G HN 0.491 nan 8.290 nan 0.000 0.539 306 I N 2.056 122.726 120.570 0.166 0.000 2.581 306 I HA 0.235 4.405 4.170 0.000 0.000 0.285 306 I C 0.935 177.218 176.117 0.276 0.000 1.129 306 I CA -0.553 60.877 61.300 0.217 0.000 1.397 306 I CB 0.708 38.851 38.000 0.239 0.000 1.399 306 I HN 0.060 nan 8.210 nan 0.000 0.537 307 A N 7.228 130.168 122.820 0.200 0.000 2.340 307 A HA 0.533 4.853 4.320 0.000 0.000 0.268 307 A C -1.023 176.706 177.584 0.242 0.000 1.100 307 A CA -0.050 52.112 52.037 0.207 0.000 0.803 307 A CB 0.283 19.350 19.000 0.112 0.000 1.043 307 A HN 0.570 nan 8.150 nan 0.000 0.488 308 Y N -0.016 120.301 120.300 0.029 0.000 2.376 308 Y HA 0.541 5.091 4.550 0.000 0.000 0.340 308 Y C 0.511 176.422 175.900 0.018 0.000 0.965 308 Y CA -0.503 57.609 58.100 0.020 0.000 1.078 308 Y CB 2.017 40.486 38.460 0.015 0.000 1.193 308 Y HN 0.847 nan 8.280 nan 0.000 0.452 309 A N 5.717 128.604 122.820 0.112 0.000 2.301 309 A HA 0.690 5.010 4.320 0.000 0.000 0.298 309 A C -2.731 174.919 177.584 0.110 0.000 1.185 309 A CA -1.776 50.312 52.037 0.085 0.000 0.830 309 A CB 0.105 19.130 19.000 0.041 0.000 1.112 309 A HN 0.421 nan 8.150 nan 0.000 0.508 310 P HA 0.498 nan 4.420 nan 0.000 0.275 310 P C -0.675 176.693 177.300 0.114 0.000 1.228 310 P CA -0.011 63.160 63.100 0.119 0.000 0.786 310 P CB 0.840 32.592 31.700 0.086 0.000 0.927 311 I N 0.702 121.372 120.570 0.166 0.000 2.692 311 I HA 0.684 4.854 4.170 0.000 0.000 0.293 311 I C -1.603 174.647 176.117 0.222 0.000 1.200 311 I CA -0.877 60.519 61.300 0.159 0.000 1.036 311 I CB 1.826 39.904 38.000 0.129 0.000 1.258 311 I HN 0.364 nan 8.210 nan 0.000 0.421 312 A N 6.682 129.584 122.820 0.136 0.000 2.342 312 A HA 0.789 5.109 4.320 0.000 0.000 0.323 312 A C -1.328 176.311 177.584 0.092 0.000 1.125 312 A CA -0.556 51.549 52.037 0.113 0.000 0.785 312 A CB 1.521 20.535 19.000 0.024 0.000 1.221 312 A HN 0.468 nan 8.150 nan 0.000 0.463 313 V N 2.505 122.496 119.914 0.127 0.000 2.394 313 V HA 0.431 4.552 4.120 0.000 0.000 0.282 313 V C -0.299 175.715 176.094 -0.133 0.000 1.031 313 V CA -0.492 61.808 62.300 0.001 0.000 0.881 313 V CB 1.224 33.093 31.823 0.077 0.000 0.982 313 V HN 0.576 nan 8.190 nan 0.000 0.451 314 V N 5.125 124.906 119.914 -0.220 0.000 2.326 314 V HA 0.373 4.493 4.120 0.000 0.000 0.281 314 V C -0.212 175.744 176.094 -0.231 0.000 1.015 314 V CA -0.636 61.542 62.300 -0.203 0.000 0.823 314 V CB 0.681 32.429 31.823 -0.124 0.000 1.009 314 V HN 0.822 nan 8.190 nan 0.000 0.436 315 H N 5.795 124.851 119.070 -0.024 0.000 2.620 315 H HA 0.519 5.075 4.556 0.000 0.000 0.313 315 H C -0.625 174.649 175.328 -0.090 0.000 1.075 315 H CA -0.247 55.809 56.048 0.014 0.000 1.397 315 H CB 1.801 31.632 29.762 0.115 0.000 1.446 315 H HN 0.436 nan 8.280 nan 0.000 0.493 316 L N 2.901 124.182 121.223 0.096 0.000 2.342 316 L HA 0.381 4.721 4.340 0.000 0.000 0.276 316 L C 0.805 177.636 176.870 -0.066 0.000 0.997 316 L CA -0.757 54.043 54.840 -0.067 0.000 0.838 316 L CB 1.863 43.894 42.059 -0.047 0.000 1.224 316 L HN 0.626 nan 8.230 nan 0.000 0.416 317 G N 2.048 110.740 108.800 -0.180 0.000 2.389 317 G HA2 0.718 4.678 3.960 0.000 0.000 0.317 317 G HA3 0.718 4.678 3.960 0.000 0.000 0.317 317 G C -1.234 173.519 174.900 -0.245 0.000 1.137 317 G CA -0.207 44.801 45.100 -0.153 0.000 0.870 317 G HN 0.275 nan 8.290 nan 0.000 0.496 318 F N -0.149 119.979 119.950 0.297 0.000 2.565 318 F HA 0.296 4.823 4.527 0.000 0.000 0.313 318 F C -0.080 175.851 175.800 0.218 0.000 1.091 318 F CA -1.005 57.129 58.000 0.223 0.000 0.915 318 F CB 2.225 41.331 39.000 0.178 0.000 1.208 318 F HN 0.252 nan 8.300 nan 0.000 0.453 319 D N 1.783 122.369 120.400 0.310 0.000 2.414 319 D HA 0.300 4.940 4.640 0.000 0.000 0.242 319 D C 0.102 176.505 176.300 0.173 0.000 1.129 319 D CA 0.141 54.257 54.000 0.193 0.000 0.885 319 D CB 1.301 42.180 40.800 0.132 0.000 1.198 319 D HN 0.677 nan 8.370 nan 0.000 0.437 320 A N 1.192 124.081 122.820 0.114 0.000 2.565 320 A HA 0.384 4.705 4.320 0.000 0.000 0.237 320 A C 1.534 179.160 177.584 0.070 0.000 1.053 320 A CA 0.730 52.817 52.037 0.083 0.000 0.755 320 A CB -0.257 18.773 19.000 0.050 0.000 0.980 320 A HN 0.869 nan 8.150 nan 0.000 0.506 321 G N 1.380 110.214 108.800 0.057 0.000 2.205 321 G HA2 -0.319 3.641 3.960 0.000 0.000 0.261 321 G HA3 -0.319 3.641 3.960 0.000 0.000 0.261 321 G C 1.077 176.003 174.900 0.043 0.000 0.980 321 G CA 1.403 46.527 45.100 0.041 0.000 0.632 321 G HN 2.097 nan 8.290 nan 0.000 0.533 322 T N -1.253 113.343 114.554 0.070 0.000 3.088 322 T HA 0.498 4.848 4.350 0.000 0.000 0.259 322 T C 0.912 175.627 174.700 0.025 0.000 1.122 322 T CA 1.322 63.466 62.100 0.073 0.000 1.095 322 T CB -0.045 68.908 68.868 0.142 0.000 0.930 322 T HN 1.833 nan 8.240 nan 0.000 0.508 323 L N -2.662 118.559 121.223 -0.003 0.000 2.794 323 L HA 0.761 5.101 4.340 0.000 0.000 0.261 323 L C -3.320 173.522 176.870 -0.046 0.000 0.989 323 L CA -2.271 52.530 54.840 -0.066 0.000 0.900 323 L CB 0.647 42.591 42.059 -0.192 0.000 1.473 323 L HN -0.320 nan 8.230 nan 0.000 0.414 324 P HA 0.427 nan 4.420 nan 0.000 0.274 324 P C -0.618 176.645 177.300 -0.062 0.000 1.231 324 P CA -0.242 62.828 63.100 -0.049 0.000 0.790 324 P CB 1.018 32.686 31.700 -0.054 0.000 0.951 325 A N 3.580 126.366 122.820 -0.057 0.000 2.488 325 A HA 0.385 4.705 4.320 0.000 0.000 0.249 325 A C -1.845 175.646 177.584 -0.155 0.000 1.083 325 A CA -0.811 51.171 52.037 -0.092 0.000 0.768 325 A CB -1.149 17.815 19.000 -0.060 0.000 1.017 325 A HN 0.438 nan 8.150 nan 0.000 0.496 326 P HA 0.210 nan 4.420 nan 0.000 0.276 326 P C -0.721 176.408 177.300 -0.284 0.000 1.230 326 P CA -0.250 62.585 63.100 -0.442 0.000 0.776 326 P CB 0.719 31.772 31.700 -1.078 0.000 0.888 327 D N 1.408 121.732 120.400 -0.126 0.000 2.382 327 D HA 0.420 5.060 4.640 0.000 0.000 0.245 327 D C 0.731 177.218 176.300 0.312 0.000 1.120 327 D CA 1.251 55.299 54.000 0.080 0.000 0.890 327 D CB 0.215 41.097 40.800 0.136 0.000 1.201 327 D HN 0.736 nan 8.370 nan 0.000 0.433 328 G N 2.280 111.271 108.800 0.318 0.000 2.710 328 G HA2 -0.273 3.687 3.960 0.000 0.000 0.668 328 G HA3 -0.273 3.687 3.960 0.000 0.000 0.668 328 G C 0.140 175.238 174.900 0.330 0.000 1.320 328 G CA -0.225 45.098 45.100 0.372 0.000 0.860 328 G HN 0.547 nan 8.290 nan 0.000 0.538 329 F N 1.608 121.586 119.950 0.047 0.000 2.234 329 F HA 0.408 4.935 4.527 0.000 0.000 0.299 329 F C 1.583 177.209 175.800 -0.289 0.000 1.087 329 F CA 2.601 60.538 58.000 -0.105 0.000 1.340 329 F CB -0.121 38.805 39.000 -0.123 0.000 1.031 329 F HN 1.865 nan 8.300 nan 0.000 0.500 330 G N -1.061 107.382 108.800 -0.594 0.000 2.359 330 G HA2 0.316 4.276 3.960 0.000 0.000 0.293 330 G HA3 0.316 4.276 3.960 0.000 0.000 0.293 330 G C -1.726 173.005 174.900 -0.282 0.000 1.300 330 G CA -0.519 43.914 45.100 -1.110 0.000 0.888 330 G HN 0.519 nan 8.290 nan 0.000 0.541 331 F N -1.147 118.652 119.950 -0.252 0.000 2.593 331 F HA 0.937 5.464 4.527 0.000 0.000 0.320 331 F C -0.841 174.971 175.800 0.020 0.000 1.060 331 F CA -1.525 56.490 58.000 0.026 0.000 0.940 331 F CB 1.625 40.706 39.000 0.135 0.000 1.268 331 F HN 0.487 nan 8.300 nan 0.000 0.475 332 L N 2.451 123.849 121.223 0.291 0.000 2.341 332 L HA 0.826 5.166 4.340 0.000 0.000 0.267 332 L C -1.031 176.028 176.870 0.316 0.000 1.009 332 L CA -1.403 53.547 54.840 0.184 0.000 0.819 332 L CB 2.211 44.341 42.059 0.119 0.000 1.323 332 L HN 0.769 nan 8.230 nan 0.000 0.425 333 V N 2.342 122.395 119.914 0.233 0.000 2.525 333 V HA 0.615 4.735 4.120 0.000 0.000 0.299 333 V C -2.541 173.650 176.094 0.162 0.000 1.034 333 V CA -1.878 60.568 62.300 0.243 0.000 0.863 333 V CB 2.119 34.093 31.823 0.253 0.000 0.999 333 V HN 0.506 nan 8.190 nan 0.000 0.423 334 P HA 0.308 nan 4.420 nan 0.000 0.270 334 P C 0.647 178.009 177.300 0.104 0.000 1.223 334 P CA 0.323 63.495 63.100 0.119 0.000 0.785 334 P CB 1.035 32.805 31.700 0.116 0.000 0.923 335 A N 2.190 125.060 122.820 0.083 0.000 1.969 335 A HA -0.197 4.123 4.320 0.000 0.000 0.218 335 A C 1.830 179.456 177.584 0.069 0.000 1.169 335 A CA 1.683 53.762 52.037 0.069 0.000 0.635 335 A CB -1.167 17.868 19.000 0.058 0.000 0.810 335 A HN 0.743 nan 8.150 nan 0.000 0.445 336 E N -0.405 119.840 120.200 0.075 0.000 2.338 336 E HA -0.180 4.170 4.350 0.000 0.000 0.197 336 E C 1.215 177.865 176.600 0.084 0.000 1.007 336 E CA 1.075 57.519 56.400 0.073 0.000 0.849 336 E CB -0.162 29.581 29.700 0.072 0.000 0.774 336 E HN 0.472 nan 8.360 nan 0.000 0.506 337 E N 0.853 121.117 120.200 0.106 0.000 2.274 337 E HA -0.122 4.228 4.350 0.000 0.000 0.194 337 E C 0.280 176.935 176.600 0.092 0.000 0.996 337 E CA 0.589 57.069 56.400 0.135 0.000 0.840 337 E CB -0.034 29.799 29.700 0.220 0.000 0.772 337 E HN 0.397 nan 8.360 nan 0.000 0.491 338 Q N 0.159 119.999 119.800 0.068 0.000 2.481 338 Q HA -0.163 4.177 4.340 0.000 0.000 0.283 338 Q C -0.349 175.666 176.000 0.026 0.000 1.292 338 Q CA 0.401 56.231 55.803 0.044 0.000 0.819 338 Q CB -0.499 28.264 28.738 0.041 0.000 1.202 338 Q HN -0.031 nan 8.270 nan 0.000 0.446 339 R N -0.288 120.224 120.500 0.021 0.000 2.607 339 R HA 0.400 4.740 4.340 0.000 0.000 0.261 339 R C 0.945 177.246 176.300 0.002 0.000 1.051 339 R CA -0.574 55.522 56.100 -0.007 0.000 1.110 339 R CB 0.423 30.700 30.300 -0.037 0.000 1.158 339 R HN 0.216 nan 8.270 nan 0.000 0.543 340 R N -0.096 120.399 120.500 -0.008 0.000 2.359 340 R HA 0.292 4.632 4.340 0.000 0.000 0.231 340 R C 0.249 176.548 176.300 -0.002 0.000 0.913 340 R CA 0.136 56.234 56.100 -0.004 0.000 1.075 340 R CB 0.381 30.675 30.300 -0.010 0.000 1.087 340 R HN 0.300 nan 8.270 nan 0.000 0.515 341 M N 0.287 119.889 119.600 0.004 0.000 2.464 341 M HA 0.173 4.653 4.480 0.000 0.000 0.308 341 M C -0.351 175.961 176.300 0.020 0.000 1.127 341 M CA -0.621 54.683 55.300 0.007 0.000 0.913 341 M CB 1.619 34.229 32.600 0.018 0.000 1.689 341 M HN -0.063 nan 8.290 nan 0.000 0.445 342 L N 2.431 123.653 121.223 -0.002 0.000 2.209 342 L HA 0.517 4.857 4.340 0.000 0.000 0.207 342 L C 0.950 177.805 176.870 -0.026 0.000 1.094 342 L CA 1.164 56.005 54.840 0.001 0.000 0.790 342 L CB -0.425 41.627 42.059 -0.011 0.000 0.932 342 L HN 0.896 nan 8.230 nan 0.000 0.447 343 G N -2.333 106.389 108.800 -0.130 0.000 2.341 343 G HA2 0.527 4.488 3.960 0.000 0.000 0.293 343 G HA3 0.527 4.488 3.960 0.000 0.000 0.293 343 G C -2.005 172.546 174.900 -0.583 0.000 1.298 343 G CA -0.187 44.678 45.100 -0.391 0.000 0.868 343 G HN 0.286 nan 8.290 nan 0.000 0.540 344 A N -0.692 121.534 122.820 -0.991 0.000 2.486 344 A HA 0.821 5.141 4.320 0.000 0.000 0.300 344 A C -0.745 176.447 177.584 -0.654 0.000 1.048 344 A CA -0.593 51.056 52.037 -0.646 0.000 0.696 344 A CB 1.230 19.969 19.000 -0.435 0.000 1.278 344 A HN 0.996 nan 8.150 nan 0.000 0.405 345 I N 1.702 121.985 120.570 -0.479 0.000 2.365 345 I HA 0.203 4.373 4.170 0.000 0.000 0.291 345 I C -0.128 175.736 176.117 -0.421 0.000 1.004 345 I CA -0.266 60.638 61.300 -0.661 0.000 1.311 345 I CB 1.052 38.733 38.000 -0.531 0.000 1.401 345 I HN 0.684 nan 8.210 nan 0.000 0.491 346 H N 5.841 124.629 119.070 -0.470 0.000 3.092 346 H HA 0.231 4.787 4.556 0.000 0.000 0.263 346 H C 1.017 176.171 175.328 -0.291 0.000 1.611 346 H CA -0.438 55.365 56.048 -0.409 0.000 1.457 346 H CB 0.609 30.165 29.762 -0.343 0.000 1.731 346 H HN 0.841 nan 8.280 nan 0.000 0.532 347 A N 2.392 125.157 122.820 -0.092 0.000 1.902 347 A HA -0.206 4.114 4.320 0.000 0.000 0.217 347 A C 2.400 179.978 177.584 -0.011 0.000 1.181 347 A CA 1.702 53.735 52.037 -0.007 0.000 0.623 347 A CB -0.437 18.612 19.000 0.082 0.000 0.818 347 A HN 0.661 nan 8.150 nan 0.000 0.443 348 S N -1.305 114.384 115.700 -0.019 0.000 2.414 348 S HA -0.092 4.378 4.470 0.000 0.000 0.227 348 S C 1.769 176.338 174.600 -0.051 0.000 1.022 348 S CA 1.588 59.781 58.200 -0.013 0.000 0.958 348 S CB -0.895 62.334 63.200 0.048 0.000 0.797 348 S HN 0.453 nan 8.310 nan 0.000 0.493 349 T N 2.376 116.886 114.554 -0.072 0.000 2.857 349 T HA -0.029 4.321 4.350 0.000 0.000 0.266 349 T C 1.916 176.561 174.700 -0.091 0.000 1.048 349 T CA 1.815 63.877 62.100 -0.062 0.000 1.139 349 T CB -0.738 68.100 68.868 -0.049 0.000 0.874 349 T HN 0.576 nan 8.240 nan 0.000 0.455 350 T N 0.943 115.395 114.554 -0.170 0.000 2.770 350 T HA 0.103 4.453 4.350 0.000 0.000 0.263 350 T C 0.357 174.679 174.700 -0.630 0.000 1.039 350 T CA 0.816 62.661 62.100 -0.424 0.000 1.142 350 T CB -0.203 68.355 68.868 -0.516 0.000 0.868 350 T HN 0.360 nan 8.240 nan 0.000 0.435 351 F N 0.777 120.636 119.950 -0.151 0.000 2.691 351 F HA 0.349 4.876 4.527 0.000 0.000 0.371 351 F C -2.240 173.205 175.800 -0.591 0.000 1.159 351 F CA -2.392 55.314 58.000 -0.490 0.000 1.174 351 F CB 1.981 40.557 39.000 -0.706 0.000 1.419 351 F HN -0.051 nan 8.300 nan 0.000 0.514 352 P HA -0.193 nan 4.420 nan 0.000 0.220 352 P C 1.522 178.809 177.300 -0.021 0.000 1.148 352 P CA 1.279 64.357 63.100 -0.037 0.000 0.803 352 P CB -0.159 31.587 31.700 0.077 0.000 0.782 353 F N -1.048 118.975 119.950 0.121 0.000 2.546 353 F HA 0.048 4.575 4.527 0.000 0.000 0.298 353 F C 1.611 177.459 175.800 0.079 0.000 1.120 353 F CA 0.487 58.535 58.000 0.081 0.000 1.456 353 F CB -1.285 37.754 39.000 0.066 0.000 1.088 353 F HN -0.219 nan 8.300 nan 0.000 0.572 354 R N 0.675 121.062 120.500 -0.188 0.000 2.334 354 R HA 0.515 4.855 4.340 0.000 0.000 0.220 354 R C -0.184 176.148 176.300 0.052 0.000 0.917 354 R CA 0.409 56.483 56.100 -0.043 0.000 1.073 354 R CB 0.315 30.550 30.300 -0.109 0.000 1.056 354 R HN 0.287 nan 8.270 nan 0.000 0.506 355 A N 1.904 124.745 122.820 0.035 0.000 2.414 355 A HA 0.237 4.557 4.320 0.000 0.000 0.286 355 A C -0.689 176.870 177.584 -0.040 0.000 1.073 355 A CA -0.885 51.167 52.037 0.025 0.000 0.727 355 A CB 0.875 19.977 19.000 0.170 0.000 1.215 355 A HN 0.251 nan 8.150 nan 0.000 0.430 356 E N 1.408 121.533 120.200 -0.125 0.000 2.248 356 E HA 0.575 4.925 4.350 0.000 0.000 0.272 356 E C 0.619 177.158 176.600 -0.101 0.000 1.008 356 E CA -0.354 55.997 56.400 -0.082 0.000 0.856 356 E CB 1.253 30.910 29.700 -0.072 0.000 1.120 356 E HN 1.928 nan 8.360 nan 0.000 0.397 357 G N 1.111 109.882 108.800 -0.048 0.000 2.246 357 G HA2 -0.184 3.776 3.960 0.000 0.000 0.273 357 G HA3 -0.184 3.776 3.960 0.000 0.000 0.273 357 G C 0.947 175.836 174.900 -0.018 0.000 1.055 357 G CA 0.384 45.462 45.100 -0.037 0.000 0.851 357 G HN 1.608 nan 8.290 nan 0.000 0.500 358 G N -1.465 107.335 108.800 0.000 0.000 2.166 358 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 358 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 358 G C 0.622 175.553 174.900 0.052 0.000 0.986 358 G CA 1.183 46.298 45.100 0.025 0.000 0.683 358 G HN 1.098 nan 8.290 nan 0.000 0.527 359 R N -0.771 119.754 120.500 0.042 0.000 2.643 359 R HA 0.437 4.777 4.340 0.000 0.000 0.270 359 R C 0.170 176.626 176.300 0.260 0.000 1.061 359 R CA -0.203 55.980 56.100 0.138 0.000 1.107 359 R CB 1.025 31.323 30.300 -0.004 0.000 0.999 359 R HN 0.091 nan 8.270 nan 0.000 0.460 360 V N 4.270 124.406 119.914 0.369 0.000 2.370 360 V HA 0.245 4.365 4.120 0.000 0.000 0.283 360 V C -0.647 175.702 176.094 0.424 0.000 1.023 360 V CA -0.733 61.763 62.300 0.325 0.000 0.857 360 V CB 1.351 33.332 31.823 0.265 0.000 0.985 360 V HN 0.424 nan 8.190 nan 0.000 0.443 361 L N 6.283 127.647 121.223 0.235 0.000 2.305 361 L HA 0.597 4.937 4.340 0.000 0.000 0.284 361 L C -1.203 175.734 176.870 0.112 0.000 1.013 361 L CA -0.140 54.783 54.840 0.139 0.000 0.819 361 L CB 1.159 43.235 42.059 0.029 0.000 1.227 361 L HN 0.532 nan 8.230 nan 0.000 0.417 362 Y N 2.765 123.179 120.300 0.189 0.000 2.331 362 Y HA 0.481 5.031 4.550 0.000 0.000 0.338 362 Y C 0.339 176.305 175.900 0.110 0.000 0.992 362 Y CA -0.304 57.895 58.100 0.164 0.000 1.121 362 Y CB 1.901 40.494 38.460 0.221 0.000 1.184 362 Y HN 0.529 nan 8.280 nan 0.000 0.469 363 S N 3.208 119.002 115.700 0.156 0.000 2.474 363 S HA 0.344 4.814 4.470 0.000 0.000 0.320 363 S C -0.699 173.855 174.600 -0.076 0.000 1.067 363 S CA -0.641 57.580 58.200 0.035 0.000 1.127 363 S CB -0.199 63.059 63.200 0.098 0.000 0.971 363 S HN 0.608 nan 8.310 nan 0.000 0.472 364 C N 4.998 124.243 119.300 -0.091 0.000 2.388 364 C HA 0.542 5.002 4.460 0.000 0.000 0.362 364 C C 0.333 175.255 174.990 -0.114 0.000 1.266 364 C CA -0.969 57.988 59.018 -0.101 0.000 2.028 364 C CB -0.166 27.544 27.740 -0.050 0.000 2.440 364 C HN 0.652 nan 8.230 nan 0.000 0.547 365 M N 3.367 122.900 119.600 -0.112 0.000 2.268 365 M HA 0.552 5.032 4.480 0.000 0.000 0.344 365 M C -0.604 175.671 176.300 -0.041 0.000 1.106 365 M CA -0.301 54.959 55.300 -0.067 0.000 1.010 365 M CB 1.166 33.723 32.600 -0.072 0.000 1.649 365 M HN 0.373 nan 8.290 nan 0.000 0.443 366 V N 1.768 121.674 119.914 -0.013 0.000 2.709 366 V HA 0.910 5.030 4.120 0.000 0.000 0.308 366 V C 0.493 176.597 176.094 0.018 0.000 1.062 366 V CA 0.235 62.533 62.300 -0.003 0.000 0.901 366 V CB 1.592 33.407 31.823 -0.013 0.000 1.003 366 V HN 1.126 nan 8.190 nan 0.000 0.425 367 G N 3.103 111.914 108.800 0.018 0.000 2.731 367 G HA2 0.462 4.422 3.960 0.000 0.000 0.218 367 G HA3 0.462 4.422 3.960 0.000 0.000 0.218 367 G C 0.607 175.526 174.900 0.032 0.000 1.349 367 G CA 0.269 45.386 45.100 0.029 0.000 1.225 367 G HN 2.495 nan 8.290 nan 0.000 0.526 368 G N -0.879 107.945 108.800 0.040 0.000 2.741 368 G HA2 0.317 4.277 3.960 0.000 0.000 0.222 368 G HA3 0.317 4.277 3.960 0.000 0.000 0.222 368 G C 1.308 176.231 174.900 0.039 0.000 1.364 368 G CA 1.663 46.786 45.100 0.038 0.000 0.866 368 G HN 2.376 nan 8.290 nan 0.000 0.555 369 A N -0.662 122.180 122.820 0.035 0.000 1.972 369 A HA 0.008 4.328 4.320 0.000 0.000 0.219 369 A C 2.356 179.959 177.584 0.032 0.000 1.169 369 A CA 2.234 54.291 52.037 0.033 0.000 0.635 369 A CB -0.235 18.780 19.000 0.025 0.000 0.810 369 A HN 0.672 nan 8.150 nan 0.000 0.446 370 R N -0.867 119.652 120.500 0.032 0.000 2.280 370 R HA 0.078 4.418 4.340 0.000 0.000 0.195 370 R C -0.123 176.194 176.300 0.028 0.000 0.935 370 R CA 0.523 56.641 56.100 0.030 0.000 1.033 370 R CB 0.239 30.559 30.300 0.032 0.000 0.964 370 R HN 0.634 nan 8.270 nan 0.000 0.489 371 Q N 0.137 119.953 119.800 0.027 0.000 3.180 371 Q HA 0.194 4.534 4.340 0.000 0.000 0.317 371 Q C -2.323 173.691 176.000 0.024 0.000 0.824 371 Q CA -1.366 54.451 55.803 0.023 0.000 0.926 371 Q CB 1.533 30.283 28.738 0.020 0.000 1.487 371 Q HN 0.045 nan 8.270 nan 0.000 0.389 372 P HA -0.111 nan 4.420 nan 0.000 0.221 372 P C 1.382 178.695 177.300 0.022 0.000 1.150 372 P CA 1.146 64.264 63.100 0.030 0.000 0.800 372 P CB 0.129 31.849 31.700 0.034 0.000 0.787 373 G N 0.545 109.354 108.800 0.016 0.000 2.448 373 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 373 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 373 G C 1.580 176.482 174.900 0.003 0.000 1.127 373 G CA 0.281 45.386 45.100 0.008 0.000 0.766 373 G HN 0.236 nan 8.290 nan 0.000 0.552 374 L N 0.420 121.646 121.223 0.005 0.000 2.191 374 L HA -0.067 4.273 4.340 0.000 0.000 0.212 374 L C 2.683 179.550 176.870 -0.005 0.000 1.103 374 L CA 0.308 55.147 54.840 -0.002 0.000 0.769 374 L CB -0.255 41.804 42.059 -0.001 0.000 0.908 374 L HN 0.091 nan 8.230 nan 0.000 0.438 375 V N -0.711 119.206 119.914 0.005 0.000 3.041 375 V HA -0.158 3.962 4.120 0.000 0.000 0.260 375 V C 2.015 178.102 176.094 -0.011 0.000 1.105 375 V CA 1.132 63.434 62.300 0.005 0.000 1.125 375 V CB -0.433 31.410 31.823 0.033 0.000 0.730 375 V HN 0.442 nan 8.190 nan 0.000 0.479 376 E N -0.313 119.881 120.200 -0.011 0.000 2.358 376 E HA -0.033 4.317 4.350 0.000 0.000 0.195 376 E C 0.897 177.480 176.600 -0.028 0.000 1.010 376 E CA 0.011 56.400 56.400 -0.018 0.000 0.856 376 E CB 0.103 29.796 29.700 -0.012 0.000 0.795 376 E HN 0.697 nan 8.360 nan 0.000 0.504 377 Q N 1.668 121.450 119.800 -0.029 0.000 2.454 377 Q HA 0.036 4.376 4.340 0.000 0.000 0.247 377 Q C -0.229 175.740 176.000 -0.051 0.000 1.028 377 Q CA -0.158 55.623 55.803 -0.037 0.000 0.910 377 Q CB 0.466 29.183 28.738 -0.035 0.000 1.276 377 Q HN 0.142 nan 8.270 nan 0.000 0.489 378 D N -0.645 119.722 120.400 -0.055 0.000 2.377 378 D HA -0.026 4.614 4.640 0.000 0.000 0.245 378 D C 0.269 176.518 176.300 -0.085 0.000 1.196 378 D CA -0.264 53.694 54.000 -0.070 0.000 0.962 378 D CB 0.581 41.343 40.800 -0.063 0.000 1.127 378 D HN 0.464 nan 8.370 nan 0.000 0.471 379 E N -0.472 119.664 120.200 -0.106 0.000 2.153 379 E HA -0.174 4.176 4.350 0.000 0.000 0.194 379 E C 0.940 177.466 176.600 -0.123 0.000 0.988 379 E CA 1.123 57.443 56.400 -0.133 0.000 0.811 379 E CB -0.078 29.520 29.700 -0.169 0.000 0.746 379 E HN 0.475 nan 8.360 nan 0.000 0.466 380 D N 0.741 121.079 120.400 -0.102 0.000 2.117 380 D HA -0.095 4.545 4.640 0.000 0.000 0.198 380 D C 1.903 178.156 176.300 -0.078 0.000 0.982 380 D CA 1.321 55.266 54.000 -0.091 0.000 0.828 380 D CB -0.245 40.510 40.800 -0.075 0.000 0.967 380 D HN 0.166 nan 8.370 nan 0.000 0.464 381 A N 0.324 123.103 122.820 -0.068 0.000 1.930 381 A HA -0.079 4.241 4.320 0.000 0.000 0.217 381 A C 2.303 179.852 177.584 -0.058 0.000 1.175 381 A CA 0.821 52.825 52.037 -0.056 0.000 0.627 381 A CB -0.684 18.288 19.000 -0.048 0.000 0.815 381 A HN 0.195 nan 8.150 nan 0.000 0.443 382 L N -0.904 120.278 121.223 -0.069 0.000 2.056 382 L HA -0.143 4.197 4.340 0.000 0.000 0.207 382 L C 3.096 179.919 176.870 -0.078 0.000 1.078 382 L CA 0.942 55.740 54.840 -0.070 0.000 0.749 382 L CB -0.485 41.526 42.059 -0.080 0.000 0.901 382 L HN 0.431 nan 8.230 nan 0.000 0.433 383 A N 0.048 122.810 122.820 -0.097 0.000 1.902 383 A HA -0.179 4.141 4.320 0.000 0.000 0.217 383 A C 2.508 180.045 177.584 -0.079 0.000 1.181 383 A CA 1.744 53.718 52.037 -0.104 0.000 0.623 383 A CB -0.692 18.228 19.000 -0.133 0.000 0.818 383 A HN 0.399 nan 8.150 nan 0.000 0.443 384 A N -0.362 122.417 122.820 -0.068 0.000 1.933 384 A HA -0.032 4.288 4.320 0.000 0.000 0.218 384 A C 2.213 179.771 177.584 -0.043 0.000 1.175 384 A CA 1.476 53.481 52.037 -0.052 0.000 0.628 384 A CB -0.607 18.365 19.000 -0.047 0.000 0.814 384 A HN 0.684 nan 8.150 nan 0.000 0.444 385 L N -0.680 120.516 121.223 -0.044 0.000 2.017 385 L HA -0.115 4.225 4.340 0.000 0.000 0.208 385 L C 2.722 179.572 176.870 -0.034 0.000 1.073 385 L CA 1.684 56.502 54.840 -0.036 0.000 0.745 385 L CB -0.379 41.659 42.059 -0.035 0.000 0.894 385 L HN 0.352 nan 8.230 nan 0.000 0.432 386 A N -0.163 122.633 122.820 -0.039 0.000 1.933 386 A HA -0.188 4.132 4.320 0.000 0.000 0.218 386 A C 2.343 179.914 177.584 -0.023 0.000 1.175 386 A CA 1.370 53.389 52.037 -0.030 0.000 0.628 386 A CB -0.554 18.421 19.000 -0.042 0.000 0.814 386 A HN 0.438 nan 8.150 nan 0.000 0.444 387 R N -0.248 120.235 120.500 -0.028 0.000 2.073 387 R HA -0.123 4.217 4.340 0.000 0.000 0.234 387 R C 2.006 178.291 176.300 -0.025 0.000 1.134 387 R CA 1.651 57.741 56.100 -0.017 0.000 0.952 387 R CB -0.503 29.785 30.300 -0.020 0.000 0.850 387 R HN 0.717 nan 8.270 nan 0.000 0.433 388 E N 0.159 120.341 120.200 -0.030 0.000 2.110 388 E HA -0.159 4.191 4.350 0.000 0.000 0.193 388 E C 1.910 178.484 176.600 -0.045 0.000 0.988 388 E CA 0.809 57.188 56.400 -0.035 0.000 0.804 388 E CB 0.122 29.803 29.700 -0.033 0.000 0.745 388 E HN 0.278 nan 8.360 nan 0.000 0.458 389 E N 0.682 120.859 120.200 -0.038 0.000 2.076 389 E HA -0.089 4.261 4.350 0.000 0.000 0.190 389 E C 2.283 178.859 176.600 -0.039 0.000 0.979 389 E CA 0.381 56.755 56.400 -0.044 0.000 0.807 389 E CB -0.154 29.536 29.700 -0.017 0.000 0.761 389 E HN 0.287 nan 8.360 nan 0.000 0.454 390 L N 1.012 122.228 121.223 -0.013 0.000 2.127 390 L HA -0.196 4.144 4.340 0.000 0.000 0.211 390 L C 2.652 179.462 176.870 -0.100 0.000 1.089 390 L CA 1.214 56.035 54.840 -0.032 0.000 0.757 390 L CB -0.205 41.796 42.059 -0.097 0.000 0.899 390 L HN 0.101 nan 8.230 nan 0.000 0.434 391 K N -0.074 120.274 120.400 -0.086 0.000 2.021 391 K HA -0.124 4.196 4.320 0.000 0.000 0.205 391 K C 2.110 178.656 176.600 -0.090 0.000 1.047 391 K CA 1.142 57.378 56.287 -0.086 0.000 0.943 391 K CB -0.036 32.429 32.500 -0.059 0.000 0.725 391 K HN 0.233 nan 8.250 nan 0.000 0.439 392 A N 1.169 123.933 122.820 -0.093 0.000 1.933 392 A HA -0.094 4.226 4.320 0.000 0.000 0.218 392 A C 2.015 179.508 177.584 -0.152 0.000 1.175 392 A CA 1.298 53.274 52.037 -0.102 0.000 0.628 392 A CB -0.353 18.583 19.000 -0.106 0.000 0.814 392 A HN 0.319 nan 8.150 nan 0.000 0.444 393 L N -2.544 118.534 121.223 -0.242 0.000 2.316 393 L HA 0.201 4.541 4.340 0.000 0.000 0.207 393 L C 2.439 179.145 176.870 -0.273 0.000 1.070 393 L CA 0.863 55.459 54.840 -0.406 0.000 0.820 393 L CB -0.131 41.562 42.059 -0.611 0.000 0.992 393 L HN 0.333 nan 8.230 nan 0.000 0.466 394 A N -0.624 122.037 122.820 -0.266 0.000 2.431 394 A HA 0.443 4.763 4.320 0.000 0.000 0.239 394 A C 1.553 179.041 177.584 -0.160 0.000 1.230 394 A CA 0.535 52.417 52.037 -0.258 0.000 0.928 394 A CB 0.152 19.011 19.000 -0.235 0.000 1.006 394 A HN 0.418 nan 8.150 nan 0.000 0.520 395 G N -0.407 108.316 108.800 -0.128 0.000 2.179 395 G HA2 -0.203 3.757 3.960 0.000 0.000 0.257 395 G HA3 -0.203 3.757 3.960 0.000 0.000 0.257 395 G C 0.186 175.009 174.900 -0.128 0.000 1.010 395 G CA 0.273 45.310 45.100 -0.105 0.000 0.736 395 G HN 0.830 nan 8.290 nan 0.000 0.513 396 V N 0.199 120.011 119.914 -0.170 0.000 2.479 396 V HA 0.509 4.629 4.120 0.000 0.000 0.281 396 V C 1.281 177.283 176.094 -0.153 0.000 1.031 396 V CA 1.327 63.485 62.300 -0.236 0.000 1.038 396 V CB 1.332 32.912 31.823 -0.405 0.000 0.981 396 V HN 0.393 nan 8.190 nan 0.000 0.478 397 T N 3.013 117.489 114.554 -0.131 0.000 2.966 397 T HA 0.323 4.673 4.350 0.000 0.000 0.254 397 T C 0.784 175.479 174.700 -0.008 0.000 0.961 397 T CA 0.581 62.646 62.100 -0.057 0.000 0.915 397 T CB 0.237 69.074 68.868 -0.051 0.000 1.186 397 T HN 0.803 nan 8.240 nan 0.000 0.505 398 A N 1.617 124.425 122.820 -0.020 0.000 2.425 398 A HA 0.580 4.900 4.320 0.000 0.000 0.242 398 A C 0.287 178.049 177.584 0.295 0.000 1.077 398 A CA -0.147 51.950 52.037 0.101 0.000 0.781 398 A CB 0.112 19.154 19.000 0.070 0.000 1.020 398 A HN 0.496 nan 8.150 nan 0.000 0.494 399 R N 2.158 122.802 120.500 0.240 0.000 2.265 399 R HA 0.349 4.690 4.340 0.000 0.000 0.314 399 R C -2.389 173.984 176.300 0.122 0.000 1.053 399 R CA -1.564 54.638 56.100 0.169 0.000 0.931 399 R CB 0.559 30.904 30.300 0.076 0.000 1.024 399 R HN 0.547 nan 8.270 nan 0.000 0.457 400 P HA 0.022 nan 4.420 nan 0.000 0.271 400 P C -0.399 176.763 177.300 -0.229 0.000 1.216 400 P CA -0.095 62.633 63.100 -0.620 0.000 0.776 400 P CB 1.560 32.824 31.700 -0.726 0.000 0.881 401 S N 1.673 117.293 115.700 -0.133 0.000 2.540 401 S HA 0.210 4.680 4.470 0.000 0.000 0.218 401 S C 0.063 174.740 174.600 0.129 0.000 0.977 401 S CA -0.249 57.967 58.200 0.027 0.000 0.918 401 S CB -0.395 62.860 63.200 0.092 0.000 0.806 401 S HN 0.434 nan 8.310 nan 0.000 0.496 402 F N 1.722 121.602 119.950 -0.118 0.000 2.561 402 F HA 0.635 5.162 4.527 0.000 0.000 0.313 402 F C -1.268 174.432 175.800 -0.167 0.000 1.126 402 F CA -0.249 57.705 58.000 -0.078 0.000 0.918 402 F CB 2.037 41.065 39.000 0.045 0.000 1.199 402 F HN -0.119 nan 8.300 nan 0.000 0.444 403 T N 5.650 119.693 114.554 -0.851 0.000 2.879 403 T HA 0.597 4.947 4.350 0.000 0.000 0.290 403 T C -1.449 172.691 174.700 -0.933 0.000 0.993 403 T CA -0.663 60.997 62.100 -0.732 0.000 0.975 403 T CB 1.447 70.079 68.868 -0.393 0.000 0.981 403 T HN 0.595 nan 8.240 nan 0.000 0.439 404 R N 2.200 122.277 120.500 -0.704 0.000 2.564 404 R HA 0.717 5.057 4.340 0.000 0.000 0.284 404 R C -1.961 174.143 176.300 -0.326 0.000 1.031 404 R CA -0.618 55.177 56.100 -0.508 0.000 0.904 404 R CB 1.304 31.382 30.300 -0.371 0.000 1.199 404 R HN 0.475 nan 8.270 nan 0.000 0.443 405 V N 5.395 125.012 119.914 -0.495 0.000 2.487 405 V HA 0.575 4.695 4.120 0.000 0.000 0.298 405 V C -0.944 174.763 176.094 -0.646 0.000 1.028 405 V CA -0.583 61.474 62.300 -0.406 0.000 0.860 405 V CB 1.490 33.143 31.823 -0.284 0.000 0.991 405 V HN 0.597 nan 8.190 nan 0.000 0.427 406 F N 3.723 123.607 119.950 -0.109 0.000 2.467 406 F HA 0.661 5.188 4.527 0.000 0.000 0.336 406 F C 0.484 176.106 175.800 -0.297 0.000 1.123 406 F CA -0.637 57.232 58.000 -0.218 0.000 0.964 406 F CB 1.781 40.724 39.000 -0.093 0.000 1.136 406 F HN 0.262 nan 8.300 nan 0.000 0.447 407 R N 2.653 122.973 120.500 -0.301 0.000 2.343 407 R HA 0.356 4.696 4.340 0.000 0.000 0.320 407 R C -1.867 174.187 176.300 -0.409 0.000 0.956 407 R CA -0.568 55.383 56.100 -0.247 0.000 0.836 407 R CB 1.019 31.222 30.300 -0.162 0.000 1.151 407 R HN 0.614 nan 8.270 nan 0.000 0.450 408 W N 5.811 127.147 121.300 0.060 0.000 2.347 408 W HA 0.355 5.015 4.660 0.000 0.000 0.321 408 W C -1.888 174.650 176.519 0.031 0.000 0.971 408 W CA -2.093 55.283 57.345 0.051 0.000 1.508 408 W CB 1.377 30.873 29.460 0.061 0.000 1.299 408 W HN 0.525 nan 8.180 nan 0.000 0.399 409 P HA -0.091 nan 4.420 nan 0.000 0.228 409 P C 0.079 177.427 177.300 0.080 0.000 1.151 409 P CA 1.050 64.198 63.100 0.080 0.000 0.770 409 P CB 0.404 32.114 31.700 0.018 0.000 0.786 410 L N -1.211 120.090 121.223 0.130 0.000 2.480 410 L HA 0.518 4.858 4.340 0.000 0.000 0.253 410 L C 0.962 177.994 176.870 0.270 0.000 1.324 410 L CA -0.365 54.535 54.840 0.101 0.000 0.916 410 L CB 0.362 42.332 42.059 -0.149 0.000 1.160 410 L HN -0.165 nan 8.230 nan 0.000 0.503 411 G N 2.674 111.641 108.800 0.278 0.000 2.670 411 G HA2 0.182 4.143 3.960 0.000 0.000 0.219 411 G HA3 0.182 4.143 3.960 0.000 0.000 0.219 411 G C 0.190 175.152 174.900 0.103 0.000 1.342 411 G CA 0.136 45.349 45.100 0.189 0.000 0.902 411 G HN 0.281 nan 8.290 nan 0.000 0.553 412 I N 2.284 122.860 120.570 0.009 0.000 2.406 412 I HA 0.359 4.529 4.170 0.000 0.000 0.290 412 I C -2.355 173.547 176.117 -0.357 0.000 0.999 412 I CA -2.263 58.938 61.300 -0.166 0.000 1.124 412 I CB 2.536 40.455 38.000 -0.135 0.000 1.289 412 I HN 0.006 nan 8.210 nan 0.000 0.441 413 P HA 0.013 nan 4.420 nan 0.000 0.265 413 P C -1.134 175.956 177.300 -0.351 0.000 1.187 413 P CA -0.179 62.430 63.100 -0.819 0.000 0.766 413 P CB 0.374 31.701 31.700 -0.621 0.000 0.820 414 Q N 2.328 122.004 119.800 -0.206 0.000 2.368 414 Q HA 0.227 4.567 4.340 0.000 0.000 0.263 414 Q C -0.490 175.456 176.000 -0.091 0.000 1.009 414 Q CA -0.168 55.544 55.803 -0.153 0.000 0.818 414 Q CB 0.780 29.470 28.738 -0.080 0.000 1.239 414 Q HN 0.584 nan 8.270 nan 0.000 0.464 415 Y N 2.421 122.380 120.300 -0.568 0.000 2.667 415 Y HA 0.101 4.651 4.550 0.000 0.000 0.340 415 Y C 0.519 176.187 175.900 -0.386 0.000 1.303 415 Y CA -0.759 56.882 58.100 -0.764 0.000 1.769 415 Y CB 0.300 38.259 38.460 -0.836 0.000 1.804 415 Y HN 0.391 nan 8.280 nan 0.000 0.451 416 N N 1.262 119.924 118.700 -0.062 0.000 2.364 416 N HA 0.217 4.957 4.740 0.000 0.000 0.264 416 N C -0.086 175.443 175.510 0.032 0.000 1.263 416 N CA -0.566 52.474 53.050 -0.017 0.000 0.959 416 N CB 0.734 39.225 38.487 0.006 0.000 1.204 416 N HN 0.392 nan 8.380 nan 0.000 0.550 417 L N 0.551 121.789 121.223 0.025 0.000 2.640 417 L HA 0.006 4.346 4.340 0.000 0.000 0.280 417 L C 1.566 178.464 176.870 0.047 0.000 1.229 417 L CA 0.663 55.524 54.840 0.035 0.000 0.919 417 L CB -0.608 41.468 42.059 0.030 0.000 1.168 417 L HN 0.908 nan 8.230 nan 0.000 0.496 418 G N 1.302 110.129 108.800 0.045 0.000 2.194 418 G HA2 -0.323 3.637 3.960 0.000 0.000 0.236 418 G HA3 -0.323 3.637 3.960 0.000 0.000 0.236 418 G C 0.750 175.662 174.900 0.021 0.000 0.987 418 G CA 0.452 45.570 45.100 0.030 0.000 0.635 418 G HN 0.838 nan 8.290 nan 0.000 0.520 419 H N 0.563 119.601 119.070 -0.052 0.000 2.319 419 H HA 0.177 4.733 4.556 0.000 0.000 0.299 419 H C 2.725 177.983 175.328 -0.117 0.000 1.092 419 H CA 2.129 58.115 56.048 -0.103 0.000 1.302 419 H CB -0.207 29.460 29.762 -0.159 0.000 1.373 419 H HN 0.390 nan 8.280 nan 0.000 0.497 420 L N 0.066 121.248 121.223 -0.069 0.000 2.046 420 L HA -0.167 4.174 4.340 0.000 0.000 0.208 420 L C 2.570 179.370 176.870 -0.118 0.000 1.077 420 L CA 1.786 56.565 54.840 -0.102 0.000 0.747 420 L CB -0.452 41.592 42.059 -0.024 0.000 0.896 420 L HN 0.480 nan 8.230 nan 0.000 0.432 421 E N 0.084 120.236 120.200 -0.080 0.000 2.150 421 E HA -0.251 4.099 4.350 0.000 0.000 0.193 421 E C 2.331 178.877 176.600 -0.090 0.000 0.985 421 E CA 0.746 57.107 56.400 -0.065 0.000 0.814 421 E CB 0.128 29.807 29.700 -0.034 0.000 0.752 421 E HN 0.293 nan 8.360 nan 0.000 0.466 422 R N 0.235 120.656 120.500 -0.132 0.000 2.066 422 R HA -0.107 4.233 4.340 0.000 0.000 0.232 422 R C 2.183 178.385 176.300 -0.164 0.000 1.131 422 R CA 1.343 57.360 56.100 -0.139 0.000 0.955 422 R CB -0.099 30.107 30.300 -0.156 0.000 0.851 422 R HN 0.074 nan 8.270 nan 0.000 0.432 423 V N 1.305 121.066 119.914 -0.255 0.000 2.427 423 V HA -0.171 3.950 4.120 0.000 0.000 0.248 423 V C 2.526 178.538 176.094 -0.137 0.000 1.051 423 V CA 1.723 63.897 62.300 -0.210 0.000 1.048 423 V CB -0.645 31.016 31.823 -0.270 0.000 0.666 423 V HN 0.516 nan 8.190 nan 0.000 0.456 424 A N 0.138 122.889 122.820 -0.115 0.000 1.933 424 A HA -0.103 4.217 4.320 0.000 0.000 0.218 424 A C 2.408 179.951 177.584 -0.068 0.000 1.175 424 A CA 2.038 54.028 52.037 -0.078 0.000 0.628 424 A CB -0.641 18.323 19.000 -0.060 0.000 0.814 424 A HN 0.559 nan 8.150 nan 0.000 0.444 425 A N -0.268 122.510 122.820 -0.068 0.000 1.929 425 A HA 0.012 4.332 4.320 0.000 0.000 0.216 425 A C 2.097 179.645 177.584 -0.061 0.000 1.176 425 A CA 1.308 53.312 52.037 -0.054 0.000 0.628 425 A CB -0.525 18.449 19.000 -0.045 0.000 0.816 425 A HN 0.470 nan 8.150 nan 0.000 0.444 426 I N 0.095 120.617 120.570 -0.079 0.000 2.179 426 I HA -0.263 3.907 4.170 0.000 0.000 0.242 426 I C 1.893 177.943 176.117 -0.111 0.000 1.088 426 I CA 1.614 62.857 61.300 -0.096 0.000 1.357 426 I CB -0.397 37.530 38.000 -0.121 0.000 1.051 426 I HN 0.245 nan 8.210 nan 0.000 0.409 427 D N 0.941 121.273 120.400 -0.113 0.000 2.123 427 D HA -0.167 4.473 4.640 0.000 0.000 0.196 427 D C 2.224 178.483 176.300 -0.069 0.000 0.992 427 D CA 1.601 55.542 54.000 -0.098 0.000 0.833 427 D CB -0.269 40.481 40.800 -0.083 0.000 0.954 427 D HN 0.375 nan 8.370 nan 0.000 0.455 428 A N 0.968 123.754 122.820 -0.056 0.000 1.898 428 A HA -0.015 4.305 4.320 0.000 0.000 0.216 428 A C 2.315 179.877 177.584 -0.037 0.000 1.181 428 A CA 2.194 54.207 52.037 -0.040 0.000 0.620 428 A CB -0.762 18.218 19.000 -0.033 0.000 0.819 428 A HN 0.233 nan 8.150 nan 0.000 0.442 429 A N -0.358 122.436 122.820 -0.042 0.000 1.933 429 A HA -0.028 4.292 4.320 0.000 0.000 0.218 429 A C 2.102 179.662 177.584 -0.041 0.000 1.175 429 A CA 1.449 53.465 52.037 -0.035 0.000 0.628 429 A CB -0.591 18.388 19.000 -0.035 0.000 0.814 429 A HN 0.466 nan 8.150 nan 0.000 0.444 430 L N -0.773 120.411 121.223 -0.066 0.000 2.275 430 L HA -0.202 4.138 4.340 0.000 0.000 0.215 430 L C 2.718 179.548 176.870 -0.067 0.000 1.119 430 L CA 0.945 55.734 54.840 -0.086 0.000 0.790 430 L CB -0.390 41.592 42.059 -0.129 0.000 0.919 430 L HN 0.504 nan 8.230 nan 0.000 0.443 431 Q N 0.281 120.055 119.800 -0.044 0.000 2.167 431 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 431 Q C 1.499 177.493 176.000 -0.009 0.000 0.970 431 Q CA 1.110 56.899 55.803 -0.024 0.000 0.855 431 Q CB 0.058 28.786 28.738 -0.017 0.000 0.911 431 Q HN 0.577 nan 8.270 nan 0.000 0.438 432 R N 0.107 120.604 120.500 -0.006 0.000 2.423 432 R HA 0.176 4.516 4.340 0.000 0.000 0.248 432 R C -0.123 176.195 176.300 0.031 0.000 1.019 432 R CA 0.158 56.263 56.100 0.008 0.000 1.119 432 R CB -0.023 30.280 30.300 0.004 0.000 1.176 432 R HN 0.040 nan 8.270 nan 0.000 0.526 433 L N 1.654 122.902 121.223 0.042 0.000 2.480 433 L HA 0.404 4.744 4.340 0.000 0.000 0.253 433 L C -2.540 174.421 176.870 0.153 0.000 1.324 433 L CA -2.240 52.679 54.840 0.131 0.000 0.916 433 L CB 1.734 43.867 42.059 0.123 0.000 1.160 433 L HN -0.086 nan 8.230 nan 0.000 0.503 434 P HA 0.179 nan 4.420 nan 0.000 0.268 434 P C 0.979 178.447 177.300 0.279 0.000 1.204 434 P CA 0.540 63.714 63.100 0.122 0.000 0.768 434 P CB 1.036 32.782 31.700 0.076 0.000 0.842 435 G N 1.856 110.744 108.800 0.146 0.000 2.159 435 G HA2 -0.234 3.726 3.960 0.000 0.000 0.256 435 G HA3 -0.234 3.726 3.960 0.000 0.000 0.256 435 G C -0.265 174.533 174.900 -0.171 0.000 0.977 435 G CA -0.332 44.902 45.100 0.224 0.000 0.652 435 G HN 0.544 nan 8.290 nan 0.000 0.531 436 L N 1.653 122.570 121.223 -0.510 0.000 2.313 436 L HA 0.664 5.004 4.340 0.000 0.000 0.283 436 L C -0.243 176.136 176.870 -0.819 0.000 1.013 436 L CA -0.970 53.463 54.840 -0.678 0.000 0.816 436 L CB 1.069 42.786 42.059 -0.570 0.000 1.236 436 L HN 0.234 nan 8.230 nan 0.000 0.419 437 H N 5.430 124.384 119.070 -0.193 0.000 2.851 437 H HA 0.487 5.043 4.556 0.000 0.000 0.372 437 H C -1.071 174.160 175.328 -0.163 0.000 1.158 437 H CA -0.732 55.228 56.048 -0.146 0.000 1.159 437 H CB 2.586 32.289 29.762 -0.099 0.000 1.757 437 H HN 0.424 nan 8.280 nan 0.000 0.546 438 L N 2.735 123.911 121.223 -0.079 0.000 2.334 438 L HA 0.506 4.846 4.340 0.000 0.000 0.276 438 L C -0.607 176.217 176.870 -0.077 0.000 1.014 438 L CA -0.819 53.923 54.840 -0.163 0.000 0.815 438 L CB 1.981 43.739 42.059 -0.501 0.000 1.268 438 L HN 0.364 nan 8.230 nan 0.000 0.428 439 I N 0.902 121.518 120.570 0.076 0.000 2.994 439 I HA 0.912 5.082 4.170 0.000 0.000 0.306 439 I C -0.239 176.062 176.117 0.306 0.000 1.195 439 I CA 0.066 61.464 61.300 0.164 0.000 1.001 439 I CB 2.381 40.428 38.000 0.078 0.000 1.244 439 I HN 0.652 nan 8.210 nan 0.000 0.437 440 G N 3.752 112.707 108.800 0.258 0.000 2.340 440 G HA2 -0.016 3.944 3.960 0.000 0.000 0.527 440 G HA3 -0.016 3.944 3.960 0.000 0.000 0.527 440 G C -0.401 174.550 174.900 0.085 0.000 1.381 440 G CA -0.190 45.005 45.100 0.157 0.000 1.001 440 G HN 1.002 nan 8.290 nan 0.000 0.626 441 N N -0.343 118.364 118.700 0.011 0.000 2.550 441 N HA 0.146 4.886 4.740 0.000 0.000 0.186 441 N C 2.006 177.498 175.510 -0.030 0.000 1.110 441 N CA 1.878 54.926 53.050 -0.003 0.000 0.912 441 N CB -0.243 38.217 38.487 -0.046 0.000 0.968 441 N HN 1.211 nan 8.380 nan 0.000 0.448 442 A N -0.533 122.121 122.820 -0.277 0.000 2.066 442 A HA 0.023 4.343 4.320 0.000 0.000 0.218 442 A C 1.136 178.490 177.584 -0.382 0.000 1.157 442 A CA 0.620 52.397 52.037 -0.433 0.000 0.670 442 A CB -0.410 18.148 19.000 -0.735 0.000 0.804 442 A HN 0.411 nan 8.150 nan 0.000 0.453 443 Y N -1.767 118.610 120.300 0.128 0.000 2.447 443 Y HA 0.312 4.862 4.550 0.000 0.000 0.286 443 Y C 1.422 177.307 175.900 -0.025 0.000 1.153 443 Y CA 0.408 58.511 58.100 0.005 0.000 1.241 443 Y CB 0.413 38.864 38.460 -0.015 0.000 1.284 443 Y HN -0.033 nan 8.280 nan 0.000 0.520 444 K N 0.067 120.613 120.400 0.244 0.000 2.826 444 K HA 0.473 4.793 4.320 0.000 0.000 0.206 444 K C -0.758 175.976 176.600 0.223 0.000 1.116 444 K CA -0.006 56.395 56.287 0.189 0.000 1.045 444 K CB 1.298 33.873 32.500 0.126 0.000 0.758 444 K HN 0.395 nan 8.250 nan 0.000 0.465 445 G N -0.094 108.916 108.800 0.350 0.000 2.621 445 G HA2 -0.095 3.865 3.960 0.000 0.000 0.355 445 G HA3 -0.095 3.865 3.960 0.000 0.000 0.355 445 G C -0.021 174.928 174.900 0.080 0.000 1.509 445 G CA -0.987 44.223 45.100 0.183 0.000 1.000 445 G HN -0.079 nan 8.290 nan 0.000 0.646 446 V N 1.940 121.808 119.914 -0.076 0.000 2.649 446 V HA 0.258 4.378 4.120 0.000 0.000 0.248 446 V C 2.194 178.195 176.094 -0.154 0.000 1.054 446 V CA 2.102 64.298 62.300 -0.173 0.000 1.073 446 V CB -0.432 31.183 31.823 -0.346 0.000 0.699 446 V HN 1.164 nan 8.190 nan 0.000 0.463 447 G N -0.936 107.774 108.800 -0.150 0.000 2.539 447 G HA2 0.363 4.323 3.960 0.000 0.000 0.258 447 G HA3 0.363 4.323 3.960 0.000 0.000 0.258 447 G C 0.798 175.658 174.900 -0.067 0.000 1.202 447 G CA -0.491 44.537 45.100 -0.121 0.000 0.851 447 G HN 0.213 nan 8.290 nan 0.000 0.556 448 L N 0.735 121.931 121.223 -0.046 0.000 2.021 448 L HA -0.232 4.109 4.340 0.000 0.000 0.215 448 L C 2.701 179.538 176.870 -0.055 0.000 1.074 448 L CA 1.388 56.205 54.840 -0.037 0.000 0.760 448 L CB -0.360 41.699 42.059 0.000 0.000 0.889 448 L HN 0.455 nan 8.230 nan 0.000 0.433 449 N N -0.111 118.566 118.700 -0.039 0.000 2.104 449 N HA -0.181 4.559 4.740 0.000 0.000 0.190 449 N C 1.496 176.981 175.510 -0.042 0.000 1.024 449 N CA 1.441 54.462 53.050 -0.048 0.000 0.853 449 N CB -0.446 38.037 38.487 -0.006 0.000 1.008 449 N HN 0.348 nan 8.380 nan 0.000 0.424 450 D N 0.416 120.798 120.400 -0.030 0.000 2.084 450 D HA -0.089 4.551 4.640 0.000 0.000 0.194 450 D C 2.120 178.414 176.300 -0.010 0.000 0.990 450 D CA 0.768 54.761 54.000 -0.013 0.000 0.826 450 D CB -0.585 40.215 40.800 -0.001 0.000 0.971 450 D HN 0.216 nan 8.370 nan 0.000 0.453 451 C N 0.828 120.118 119.300 -0.016 0.000 2.398 451 C HA -0.136 4.324 4.460 0.000 0.000 0.276 451 C C 2.936 177.908 174.990 -0.031 0.000 1.222 451 C CA 0.200 59.211 59.018 -0.011 0.000 1.746 451 C CB -1.074 26.655 27.740 -0.019 0.000 2.039 451 C HN 0.336 nan 8.230 nan 0.000 0.470 452 I N 0.155 120.692 120.570 -0.056 0.000 2.179 452 I HA -0.206 3.964 4.170 0.000 0.000 0.242 452 I C 2.900 178.966 176.117 -0.084 0.000 1.088 452 I CA 1.491 62.744 61.300 -0.078 0.000 1.357 452 I CB -0.645 37.289 38.000 -0.110 0.000 1.051 452 I HN 0.331 nan 8.210 nan 0.000 0.409 453 R N 1.180 121.638 120.500 -0.070 0.000 2.080 453 R HA -0.190 4.150 4.340 0.000 0.000 0.236 453 R C 2.074 178.333 176.300 -0.068 0.000 1.137 453 R CA 1.957 58.016 56.100 -0.069 0.000 0.943 453 R CB -0.244 30.030 30.300 -0.044 0.000 0.846 453 R HN 0.354 nan 8.270 nan 0.000 0.431 454 N N 0.501 119.178 118.700 -0.038 0.000 2.223 454 N HA -0.124 4.616 4.740 0.000 0.000 0.185 454 N C 1.496 176.983 175.510 -0.039 0.000 1.016 454 N CA 1.337 54.373 53.050 -0.023 0.000 0.863 454 N CB -0.280 38.217 38.487 0.016 0.000 0.983 454 N HN 0.322 nan 8.380 nan 0.000 0.429 455 A N 0.782 123.573 122.820 -0.049 0.000 1.929 455 A HA 0.123 4.443 4.320 0.000 0.000 0.216 455 A C 2.335 179.849 177.584 -0.117 0.000 1.176 455 A CA 1.596 53.601 52.037 -0.053 0.000 0.628 455 A CB -0.661 18.319 19.000 -0.033 0.000 0.816 455 A HN 0.286 nan 8.150 nan 0.000 0.444 456 A N -0.630 122.060 122.820 -0.216 0.000 1.930 456 A HA -0.190 4.130 4.320 0.000 0.000 0.217 456 A C 2.118 179.524 177.584 -0.297 0.000 1.175 456 A CA 1.619 53.365 52.037 -0.485 0.000 0.627 456 A CB -0.495 18.188 19.000 -0.527 0.000 0.815 456 A HN 0.642 nan 8.150 nan 0.000 0.443 457 Q N -1.218 118.490 119.800 -0.154 0.000 2.123 457 Q HA -0.080 4.260 4.340 0.000 0.000 0.199 457 Q C 2.078 178.042 176.000 -0.059 0.000 0.966 457 Q CA 1.226 56.980 55.803 -0.082 0.000 0.845 457 Q CB -0.261 28.444 28.738 -0.055 0.000 0.907 457 Q HN 0.588 nan 8.270 nan 0.000 0.439 458 L N 0.818 122.003 121.223 -0.064 0.000 1.994 458 L HA -0.120 4.220 4.340 0.000 0.000 0.208 458 L C 2.199 179.023 176.870 -0.077 0.000 1.071 458 L CA 2.131 56.925 54.840 -0.076 0.000 0.745 458 L CB -0.880 41.135 42.059 -0.073 0.000 0.892 458 L HN 0.116 nan 8.230 nan 0.000 0.431 459 A N -0.659 122.141 122.820 -0.033 0.000 1.892 459 A HA -0.280 4.040 4.320 0.000 0.000 0.218 459 A C 2.033 179.664 177.584 0.078 0.000 1.188 459 A CA 2.152 54.218 52.037 0.047 0.000 0.631 459 A CB -1.060 18.051 19.000 0.184 0.000 0.822 459 A HN 0.561 nan 8.150 nan 0.000 0.447 460 D N -0.251 120.201 120.400 0.088 0.000 2.117 460 D HA -0.042 4.598 4.640 0.000 0.000 0.197 460 D C 2.159 178.470 176.300 0.018 0.000 0.987 460 D CA 1.576 55.622 54.000 0.077 0.000 0.829 460 D CB -0.359 40.480 40.800 0.064 0.000 0.961 460 D HN 0.443 nan 8.370 nan 0.000 0.460 461 A N -0.096 122.716 122.820 -0.013 0.000 2.014 461 A HA -0.061 4.259 4.320 0.000 0.000 0.218 461 A C 1.979 179.535 177.584 -0.047 0.000 1.163 461 A CA 0.630 52.650 52.037 -0.027 0.000 0.652 461 A CB -0.277 18.701 19.000 -0.036 0.000 0.808 461 A HN 0.123 nan 8.150 nan 0.000 0.449 462 L N -0.649 120.527 121.223 -0.079 0.000 2.072 462 L HA -0.048 4.292 4.340 0.000 0.000 0.205 462 L C 2.537 179.385 176.870 -0.036 0.000 1.079 462 L CA 1.272 56.055 54.840 -0.095 0.000 0.752 462 L CB -0.783 41.188 42.059 -0.148 0.000 0.906 462 L HN 0.198 nan 8.230 nan 0.000 0.436 463 V N -0.354 119.549 119.914 -0.018 0.000 2.427 463 V HA -0.236 3.884 4.120 0.000 0.000 0.248 463 V C 2.666 178.758 176.094 -0.004 0.000 1.051 463 V CA 1.410 63.704 62.300 -0.009 0.000 1.048 463 V CB -1.057 30.762 31.823 -0.007 0.000 0.666 463 V HN 0.469 nan 8.190 nan 0.000 0.456 464 A N 0.419 123.238 122.820 -0.001 0.000 1.969 464 A HA 0.016 4.336 4.320 0.000 0.000 0.218 464 A C 1.918 179.504 177.584 0.005 0.000 1.169 464 A CA 1.450 53.489 52.037 0.002 0.000 0.635 464 A CB -0.693 18.310 19.000 0.004 0.000 0.810 464 A HN 0.582 nan 8.150 nan 0.000 0.445 465 G N 1.408 110.211 108.800 0.005 0.000 3.717 465 G HA2 0.323 4.284 3.960 0.000 0.000 0.258 465 G HA3 0.323 4.284 3.960 0.000 0.000 0.258 465 G C 0.082 174.992 174.900 0.018 0.000 1.088 465 G CA -0.158 44.951 45.100 0.015 0.000 1.737 465 G HN 0.634 nan 8.290 nan 0.000 0.648 466 N N 0.000 118.707 118.700 0.012 0.000 1.763 466 N HA 0.000 4.740 4.740 0.000 0.000 0.220 466 N CA 0.000 53.057 53.050 0.012 0.000 0.885 466 N CB 0.000 38.490 38.487 0.005 0.000 1.341 466 N HN 0.000 nan 8.380 nan 0.000 0.667