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 3hhk_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.566 174.600 -0.056 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 2 M N 3.805 123.363 119.600 -0.069 0.000 2.185 2 M HA 0.258 4.738 4.480 -0.000 0.000 0.357 2 M C 1.921 178.104 176.300 -0.195 0.000 1.260 2 M CA -0.070 55.173 55.300 -0.095 0.000 1.124 2 M CB 0.687 33.250 32.600 -0.061 0.000 1.600 2 M HN 0.821 nan 8.290 nan 0.000 0.467 3 S N 3.133 118.650 115.700 -0.304 0.000 2.370 3 S HA -0.105 4.365 4.470 -0.000 0.000 0.226 3 S C 0.161 174.333 174.600 -0.713 0.000 1.033 3 S CA 1.031 58.921 58.200 -0.517 0.000 1.011 3 S CB -0.211 62.594 63.200 -0.658 0.000 0.852 3 S HN 0.639 nan 8.310 nan 0.000 0.457 4 Y N 0.902 121.024 120.300 -0.297 0.000 2.524 4 Y HA 0.561 5.111 4.550 0.000 0.000 0.347 4 Y C -0.056 175.521 175.900 -0.537 0.000 1.005 4 Y CA -0.912 56.878 58.100 -0.517 0.000 1.025 4 Y CB 2.041 40.022 38.460 -0.799 0.000 1.275 4 Y HN 0.135 nan 8.280 nan 0.000 0.460 5 T N -2.147 112.145 114.554 -0.436 0.000 2.863 5 T HA 0.675 5.025 4.350 -0.000 0.000 0.285 5 T C -1.257 173.159 174.700 -0.474 0.000 1.009 5 T CA -0.818 61.081 62.100 -0.336 0.000 0.989 5 T CB 1.069 69.866 68.868 -0.118 0.000 1.004 5 T HN 0.543 nan 8.240 nan 0.000 0.455 6 W N 1.080 122.433 121.300 0.088 0.000 2.666 6 W HA 0.469 5.129 4.660 0.000 0.000 0.334 6 W C 1.501 178.047 176.519 0.046 0.000 1.051 6 W CA -0.812 56.570 57.345 0.060 0.000 1.224 6 W CB 2.043 31.523 29.460 0.032 0.000 1.405 6 W HN 0.918 nan 8.180 nan 0.000 0.513 7 T N -2.161 112.570 114.554 0.295 0.000 3.009 7 T HA 0.295 4.645 4.350 -0.000 0.000 0.258 7 T C 1.445 176.229 174.700 0.140 0.000 1.063 7 T CA 1.164 63.365 62.100 0.170 0.000 1.139 7 T CB -0.056 68.892 68.868 0.133 0.000 0.890 7 T HN 1.119 nan 8.240 nan 0.000 0.471 8 G N 1.153 110.041 108.800 0.148 0.000 2.380 8 G HA2 0.125 4.085 3.960 -0.000 0.000 0.197 8 G HA3 0.125 4.085 3.960 -0.000 0.000 0.197 8 G C 0.346 175.272 174.900 0.043 0.000 1.001 8 G CA -0.128 45.017 45.100 0.075 0.000 0.668 8 G HN 1.020 nan 8.290 nan 0.000 0.483 9 A N 1.042 123.901 122.820 0.064 0.000 2.498 9 A HA 0.641 4.961 4.320 -0.000 0.000 0.239 9 A C 0.677 178.268 177.584 0.011 0.000 1.068 9 A CA 0.256 52.317 52.037 0.040 0.000 0.766 9 A CB 0.157 19.191 19.000 0.057 0.000 1.003 9 A HN 0.834 nan 8.150 nan 0.000 0.497 10 L N 2.076 123.292 121.223 -0.012 0.000 2.395 10 L HA 0.297 4.637 4.340 -0.000 0.000 0.269 10 L C 0.036 176.884 176.870 -0.037 0.000 1.133 10 L CA -0.363 54.450 54.840 -0.046 0.000 0.812 10 L CB 0.829 42.865 42.059 -0.039 0.000 1.125 10 L HN 0.560 nan 8.230 nan 0.000 0.452 11 I N 1.858 122.385 120.570 -0.071 0.000 2.436 11 I HA 0.062 4.232 4.170 -0.000 0.000 0.289 11 I C 0.488 176.592 176.117 -0.021 0.000 1.083 11 I CA 0.117 61.391 61.300 -0.043 0.000 1.372 11 I CB 0.516 38.472 38.000 -0.075 0.000 1.408 11 I HN 0.644 nan 8.210 nan 0.000 0.516 12 T N 5.019 119.573 114.554 0.000 0.000 2.895 12 T HA 0.580 4.930 4.350 -0.000 0.000 0.283 12 T C -2.492 172.221 174.700 0.022 0.000 1.014 12 T CA -2.136 59.968 62.100 0.008 0.000 1.037 12 T CB 1.767 70.640 68.868 0.008 0.000 1.006 12 T HN 0.256 nan 8.240 nan 0.000 0.468 13 P HA 0.244 nan 4.420 nan 0.000 0.277 13 P C 0.994 178.315 177.300 0.035 0.000 1.240 13 P CA -0.787 62.335 63.100 0.035 0.000 0.798 13 P CB 0.757 32.478 31.700 0.035 0.000 0.979 14 C N -0.006 119.320 119.300 0.042 0.000 2.533 14 C HA 0.655 5.115 4.460 -0.000 0.000 0.272 14 C C 1.021 176.030 174.990 0.031 0.000 1.371 14 C CA 0.440 59.480 59.018 0.038 0.000 1.758 14 C CB -1.146 26.623 27.740 0.048 0.000 1.972 14 C HN 0.683 nan 8.230 nan 0.000 0.522 15 A N 0.150 122.991 122.820 0.035 0.000 2.533 15 A HA 0.812 5.132 4.320 -0.000 0.000 0.293 15 A C -0.380 177.228 177.584 0.041 0.000 1.228 15 A CA -0.009 52.048 52.037 0.034 0.000 0.689 15 A CB -0.151 18.870 19.000 0.035 0.000 1.303 15 A HN 1.218 nan 8.150 nan 0.000 0.444 16 A N 0.004 122.850 122.820 0.043 0.000 2.511 16 A HA 0.498 4.818 4.320 -0.000 0.000 0.242 16 A C -0.062 177.563 177.584 0.068 0.000 1.069 16 A CA 0.398 52.465 52.037 0.051 0.000 0.763 16 A CB -0.347 18.682 19.000 0.049 0.000 1.001 16 A HN 0.595 nan 8.150 nan 0.000 0.498 17 E N 1.568 121.814 120.200 0.076 0.000 2.158 17 E HA 0.293 4.643 4.350 -0.000 0.000 0.271 17 E C -0.908 175.772 176.600 0.133 0.000 0.911 17 E CA -0.397 56.062 56.400 0.098 0.000 0.767 17 E CB 1.583 31.332 29.700 0.081 0.000 1.120 17 E HN 0.734 nan 8.360 nan 0.000 0.405 18 E N 1.247 121.568 120.200 0.201 0.000 2.227 18 E HA 0.106 4.456 4.350 -0.000 0.000 0.282 18 E C 0.273 177.093 176.600 0.366 0.000 1.015 18 E CA -0.118 56.449 56.400 0.278 0.000 0.823 18 E CB 1.314 31.233 29.700 0.366 0.000 1.081 18 E HN 0.550 nan 8.360 nan 0.000 0.396 19 S N 2.796 118.683 115.700 0.311 0.000 2.527 19 S HA 0.035 4.505 4.470 -0.000 0.000 0.227 19 S C 0.753 175.603 174.600 0.415 0.000 1.059 19 S CA -0.120 58.279 58.200 0.332 0.000 0.919 19 S CB 0.283 63.614 63.200 0.218 0.000 0.805 19 S HN 0.296 nan 8.310 nan 0.000 0.500 20 K N 1.374 121.947 120.400 0.288 0.000 2.174 20 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 20 K C -0.630 176.002 176.600 0.054 0.000 1.015 20 K CA -0.849 55.556 56.287 0.196 0.000 0.933 20 K CB 0.667 33.222 32.500 0.092 0.000 1.025 20 K HN 0.232 nan 8.250 nan 0.000 0.463 21 L N 6.776 128.019 121.223 0.033 0.000 2.534 21 L HA 0.137 4.477 4.340 -0.000 0.000 0.271 21 L C -2.344 174.253 176.870 -0.455 0.000 1.178 21 L CA -0.870 53.798 54.840 -0.287 0.000 0.907 21 L CB 0.085 42.136 42.059 -0.013 0.000 1.164 21 L HN 0.532 nan 8.230 nan 0.000 0.482 22 P HA 0.219 nan 4.420 nan 0.000 0.271 22 P C -1.030 176.026 177.300 -0.407 0.000 1.216 22 P CA -0.016 62.772 63.100 -0.521 0.000 0.776 22 P CB 0.588 31.917 31.700 -0.618 0.000 0.881 23 I N 2.939 123.329 120.570 -0.300 0.000 2.465 23 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 23 I C 0.343 176.348 176.117 -0.186 0.000 1.014 23 I CA -0.710 60.417 61.300 -0.288 0.000 1.093 23 I CB 1.530 39.341 38.000 -0.316 0.000 1.267 23 I HN 0.466 nan 8.210 nan 0.000 0.431 24 N N 4.312 122.919 118.700 -0.156 0.000 3.201 24 N HA 0.470 5.210 4.740 -0.000 0.000 0.344 24 N C 0.507 175.974 175.510 -0.071 0.000 1.465 24 N CA -0.412 52.578 53.050 -0.100 0.000 0.731 24 N CB 0.488 38.920 38.487 -0.091 0.000 1.677 24 N HN 0.387 nan 8.380 nan 0.000 0.631 25 A N -0.626 122.164 122.820 -0.050 0.000 2.121 25 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 25 A C 1.763 179.331 177.584 -0.025 0.000 1.154 25 A CA 0.862 52.879 52.037 -0.033 0.000 0.679 25 A CB -0.932 18.050 19.000 -0.029 0.000 0.795 25 A HN 0.539 nan 8.150 nan 0.000 0.458 26 L N -1.160 120.045 121.223 -0.030 0.000 2.477 26 L HA 0.021 4.361 4.340 -0.000 0.000 0.220 26 L C 2.426 179.320 176.870 0.040 0.000 1.106 26 L CA 0.473 55.310 54.840 -0.004 0.000 0.851 26 L CB -0.113 41.924 42.059 -0.036 0.000 0.994 26 L HN 0.228 nan 8.230 nan 0.000 0.462 27 S N 0.583 116.282 115.700 -0.001 0.000 2.359 27 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 27 S C 1.710 176.365 174.600 0.091 0.000 1.035 27 S CA 1.525 59.726 58.200 0.000 0.000 1.018 27 S CB -0.291 62.822 63.200 -0.146 0.000 0.876 27 S HN 0.452 nan 8.310 nan 0.000 0.448 28 N N 1.572 120.335 118.700 0.106 0.000 2.223 28 N HA -0.075 4.665 4.740 -0.000 0.000 0.185 28 N C 1.945 177.474 175.510 0.033 0.000 1.016 28 N CA 1.348 54.461 53.050 0.104 0.000 0.863 28 N CB -0.573 37.954 38.487 0.066 0.000 0.983 28 N HN 0.587 nan 8.380 nan 0.000 0.429 29 S N -0.316 115.400 115.700 0.028 0.000 2.419 29 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 29 S C 1.816 176.427 174.600 0.019 0.000 1.016 29 S CA 0.607 58.800 58.200 -0.012 0.000 0.974 29 S CB -0.220 62.993 63.200 0.022 0.000 0.786 29 S HN 0.247 nan 8.310 nan 0.000 0.492 30 L N -0.205 121.056 121.223 0.063 0.000 2.269 30 L HA 0.595 4.935 4.340 -0.000 0.000 0.200 30 L C 0.180 177.108 176.870 0.097 0.000 1.069 30 L CA 0.840 55.721 54.840 0.069 0.000 0.804 30 L CB 0.193 42.059 42.059 -0.322 0.000 0.987 30 L HN 0.503 nan 8.230 nan 0.000 0.468 31 L N -1.138 120.125 121.223 0.066 0.000 2.493 31 L HA 0.386 4.726 4.340 -0.000 0.000 0.265 31 L C 0.437 177.318 176.870 0.018 0.000 0.954 31 L CA -0.364 54.508 54.840 0.053 0.000 0.844 31 L CB 1.675 43.796 42.059 0.104 0.000 1.302 31 L HN -0.029 nan 8.230 nan 0.000 0.405 32 R N 0.875 121.252 120.500 -0.205 0.000 2.146 32 R HA 0.188 4.528 4.340 -0.000 0.000 0.206 32 R C -0.047 175.922 176.300 -0.551 0.000 1.049 32 R CA 0.205 56.059 56.100 -0.411 0.000 1.029 32 R CB 0.207 30.271 30.300 -0.392 0.000 0.949 32 R HN 0.635 nan 8.270 nan 0.000 0.471 33 H N 0.520 119.471 119.070 -0.197 0.000 2.923 33 H HA 0.080 4.636 4.556 -0.000 0.000 0.251 33 H C 0.362 175.674 175.328 -0.026 0.000 1.741 33 H CA -0.263 55.708 56.048 -0.128 0.000 1.387 33 H CB 0.064 29.807 29.762 -0.031 0.000 1.740 33 H HN 0.339 nan 8.280 nan 0.000 0.544 34 H N 0.910 120.063 119.070 0.138 0.000 2.421 34 H HA -0.155 4.401 4.556 -0.000 0.000 0.298 34 H C 1.949 177.351 175.328 0.123 0.000 1.087 34 H CA 0.868 56.977 56.048 0.102 0.000 1.330 34 H CB 0.320 30.115 29.762 0.056 0.000 1.388 34 H HN 0.631 nan 8.280 nan 0.000 0.526 35 N N 0.988 119.816 118.700 0.213 0.000 2.573 35 N HA -0.127 4.613 4.740 -0.000 0.000 0.187 35 N C 1.212 176.826 175.510 0.173 0.000 1.107 35 N CA 0.852 54.001 53.050 0.164 0.000 0.918 35 N CB -0.102 38.446 38.487 0.101 0.000 0.966 35 N HN 0.367 nan 8.380 nan 0.000 0.448 36 M N 0.082 119.799 119.600 0.196 0.000 2.514 36 M HA 0.183 4.663 4.480 -0.000 0.000 0.258 36 M C 0.037 176.508 176.300 0.285 0.000 1.119 36 M CA 0.156 55.580 55.300 0.206 0.000 1.111 36 M CB 0.238 32.943 32.600 0.175 0.000 1.390 36 M HN -0.116 nan 8.290 nan 0.000 0.475 37 V N 1.732 121.822 119.914 0.294 0.000 2.427 37 V HA 0.330 4.450 4.120 -0.000 0.000 0.286 37 V C -0.688 175.658 176.094 0.420 0.000 1.034 37 V CA -0.732 61.753 62.300 0.308 0.000 0.893 37 V CB 0.846 32.834 31.823 0.276 0.000 0.982 37 V HN 0.394 nan 8.190 nan 0.000 0.452 38 Y N 2.573 123.029 120.300 0.260 0.000 2.588 38 Y HA 0.920 5.470 4.550 -0.000 0.000 0.343 38 Y C -0.441 175.552 175.900 0.155 0.000 1.065 38 Y CA -1.461 56.797 58.100 0.264 0.000 1.038 38 Y CB 1.578 40.151 38.460 0.189 0.000 1.297 38 Y HN 0.694 nan 8.280 nan 0.000 0.467 39 A N 1.412 124.326 122.820 0.157 0.000 2.350 39 A HA 0.675 4.995 4.320 -0.000 0.000 0.324 39 A C -0.168 177.506 177.584 0.150 0.000 1.118 39 A CA -0.422 51.520 52.037 -0.158 0.000 0.783 39 A CB 0.515 19.207 19.000 -0.514 0.000 1.236 39 A HN 1.083 nan 8.150 nan 0.000 0.457 40 T N 0.201 114.826 114.554 0.117 0.000 2.919 40 T HA 0.534 4.884 4.350 -0.000 0.000 0.302 40 T C 0.391 175.154 174.700 0.104 0.000 1.031 40 T CA 0.398 62.615 62.100 0.195 0.000 1.127 40 T CB 0.558 69.558 68.868 0.219 0.000 0.952 40 T HN 1.352 nan 8.240 nan 0.000 0.540 41 T N -1.527 113.091 114.554 0.106 0.000 2.864 41 T HA 0.491 4.841 4.350 -0.000 0.000 0.289 41 T C 1.427 176.158 174.700 0.052 0.000 1.082 41 T CA -0.261 61.883 62.100 0.073 0.000 1.009 41 T CB 1.298 70.215 68.868 0.081 0.000 1.234 41 T HN 0.733 nan 8.240 nan 0.000 0.526 42 S N -0.009 115.713 115.700 0.037 0.000 2.469 42 S HA -0.120 4.350 4.470 -0.000 0.000 0.238 42 S C 1.734 176.334 174.600 0.000 0.000 0.998 42 S CA 0.412 58.621 58.200 0.015 0.000 0.957 42 S CB -0.694 62.514 63.200 0.013 0.000 0.764 42 S HN 0.716 nan 8.310 nan 0.000 0.514 43 R N 1.426 121.934 120.500 0.014 0.000 2.241 43 R HA -0.000 4.340 4.340 -0.000 0.000 0.224 43 R C 1.935 178.230 176.300 -0.008 0.000 1.101 43 R CA 1.335 57.437 56.100 0.004 0.000 0.995 43 R CB -0.341 29.970 30.300 0.017 0.000 0.870 43 R HN 0.723 nan 8.270 nan 0.000 0.463 44 S N -1.201 114.498 115.700 -0.001 0.000 2.554 44 S HA 0.266 4.736 4.470 -0.000 0.000 0.226 44 S C 1.644 176.223 174.600 -0.034 0.000 0.980 44 S CA 0.062 58.256 58.200 -0.011 0.000 0.939 44 S CB 1.020 64.229 63.200 0.014 0.000 0.832 44 S HN 0.239 nan 8.310 nan 0.000 0.486 45 A N 2.118 124.906 122.820 -0.053 0.000 1.940 45 A HA 0.172 4.492 4.320 -0.000 0.000 0.219 45 A C 2.255 179.738 177.584 -0.168 0.000 1.176 45 A CA 1.599 53.576 52.037 -0.100 0.000 0.631 45 A CB -1.662 17.271 19.000 -0.112 0.000 0.814 45 A HN 0.668 nan 8.150 nan 0.000 0.446 46 G N -0.162 108.541 108.800 -0.162 0.000 2.440 46 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 46 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 46 G C 1.541 176.354 174.900 -0.144 0.000 1.154 46 G CA 1.083 46.068 45.100 -0.191 0.000 0.767 46 G HN 0.451 nan 8.290 nan 0.000 0.552 47 L N -0.365 120.806 121.223 -0.088 0.000 2.093 47 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 47 L C 2.920 179.767 176.870 -0.038 0.000 1.085 47 L CA 1.154 55.963 54.840 -0.051 0.000 0.755 47 L CB -0.271 41.769 42.059 -0.033 0.000 0.904 47 L HN 0.159 nan 8.230 nan 0.000 0.435 48 R N 0.374 120.844 120.500 -0.050 0.000 2.075 48 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 48 R C 2.225 178.501 176.300 -0.039 0.000 1.126 48 R CA 1.497 57.583 56.100 -0.023 0.000 0.963 48 R CB -0.378 29.910 30.300 -0.019 0.000 0.858 48 R HN 0.333 nan 8.270 nan 0.000 0.435 49 Q N 0.137 119.840 119.800 -0.161 0.000 2.077 49 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 49 Q C 1.963 177.955 176.000 -0.014 0.000 0.989 49 Q CA 2.231 57.886 55.803 -0.246 0.000 0.853 49 Q CB -0.120 28.191 28.738 -0.711 0.000 0.907 49 Q HN 0.338 nan 8.270 nan 0.000 0.418 50 K N 0.543 120.931 120.400 -0.019 0.000 2.097 50 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 50 K C 1.992 178.681 176.600 0.149 0.000 1.049 50 K CA 1.085 57.415 56.287 0.071 0.000 0.933 50 K CB -0.011 32.507 32.500 0.029 0.000 0.717 50 K HN 0.106 nan 8.250 nan 0.000 0.442 51 K N 0.635 121.114 120.400 0.131 0.000 2.097 51 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 51 K C 1.988 178.790 176.600 0.336 0.000 1.050 51 K CA 1.414 57.811 56.287 0.183 0.000 0.938 51 K CB 0.039 32.613 32.500 0.124 0.000 0.718 51 K HN 0.111 nan 8.250 nan 0.000 0.442 52 V N -1.590 118.508 119.914 0.306 0.000 3.541 52 V HA 0.057 4.177 4.120 -0.000 0.000 0.267 52 V C 0.396 176.660 176.094 0.283 0.000 1.213 52 V CA 0.243 62.761 62.300 0.364 0.000 1.149 52 V CB -0.001 32.003 31.823 0.301 0.000 0.822 52 V HN -0.045 nan 8.190 nan 0.000 0.462 53 T N 4.481 119.245 114.554 0.351 0.000 2.781 53 T HA 0.708 5.058 4.350 -0.000 0.000 0.305 53 T C -0.757 174.111 174.700 0.281 0.000 1.001 53 T CA -0.039 62.235 62.100 0.289 0.000 0.950 53 T CB 0.043 69.183 68.868 0.453 0.000 0.955 53 T HN 0.613 nan 8.240 nan 0.000 0.471 54 F N -0.280 119.763 119.950 0.154 0.000 2.713 54 F HA 0.656 5.183 4.527 -0.000 0.000 0.311 54 F C -0.992 174.837 175.800 0.049 0.000 1.141 54 F CA -1.722 56.332 58.000 0.090 0.000 0.939 54 F CB 0.712 39.758 39.000 0.076 0.000 1.325 54 F HN 0.163 nan 8.300 nan 0.000 0.453 55 D N 0.985 121.553 120.400 0.280 0.000 2.350 55 D HA 0.377 5.017 4.640 -0.000 0.000 0.249 55 D C -0.817 175.623 176.300 0.234 0.000 1.119 55 D CA 0.024 54.119 54.000 0.159 0.000 0.886 55 D CB 0.850 41.716 40.800 0.109 0.000 1.195 55 D HN 0.557 nan 8.370 nan 0.000 0.437 56 R N 2.698 123.272 120.500 0.123 0.000 2.295 56 R HA 0.519 4.859 4.340 -0.000 0.000 0.324 56 R C -0.876 175.457 176.300 0.055 0.000 0.968 56 R CA -0.633 55.540 56.100 0.123 0.000 0.837 56 R CB 0.960 31.300 30.300 0.066 0.000 1.133 56 R HN 0.321 nan 8.270 nan 0.000 0.450 57 L N 2.229 123.481 121.223 0.048 0.000 2.307 57 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 57 L C -0.185 176.685 176.870 -0.000 0.000 1.023 57 L CA -0.055 54.793 54.840 0.013 0.000 0.810 57 L CB 1.653 43.716 42.059 0.006 0.000 1.231 57 L HN 0.442 nan 8.230 nan 0.000 0.423 58 Q N 2.113 121.902 119.800 -0.018 0.000 2.321 58 Q HA 0.666 5.006 4.340 -0.000 0.000 0.270 58 Q C -1.604 174.368 176.000 -0.048 0.000 1.032 58 Q CA -0.605 55.179 55.803 -0.032 0.000 0.784 58 Q CB 2.987 31.694 28.738 -0.051 0.000 1.264 58 Q HN 0.375 nan 8.270 nan 0.000 0.448 59 V N 4.978 124.865 119.914 -0.044 0.000 2.376 59 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 59 V C -0.668 175.415 176.094 -0.019 0.000 1.015 59 V CA -0.546 61.725 62.300 -0.048 0.000 0.834 59 V CB 1.395 33.183 31.823 -0.058 0.000 1.001 59 V HN 0.630 nan 8.190 nan 0.000 0.428 60 L N 5.737 126.919 121.223 -0.068 0.000 2.305 60 L HA 0.620 4.960 4.340 -0.000 0.000 0.284 60 L C -0.184 176.699 176.870 0.020 0.000 1.013 60 L CA -0.563 54.206 54.840 -0.118 0.000 0.819 60 L CB 1.602 43.396 42.059 -0.441 0.000 1.227 60 L HN 0.691 nan 8.230 nan 0.000 0.417 61 D N 0.508 121.005 120.400 0.162 0.000 2.588 61 D HA 0.138 4.778 4.640 -0.000 0.000 0.268 61 D C 0.304 176.686 176.300 0.137 0.000 1.176 61 D CA -0.611 53.467 54.000 0.129 0.000 1.080 61 D CB 0.861 41.739 40.800 0.130 0.000 1.186 61 D HN 0.291 nan 8.370 nan 0.000 0.619 62 D N -1.168 119.253 120.400 0.035 0.000 2.144 62 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 62 D C 1.778 178.090 176.300 0.021 0.000 0.984 62 D CA 1.094 55.087 54.000 -0.011 0.000 0.834 62 D CB -0.130 40.608 40.800 -0.104 0.000 0.955 62 D HN 0.417 nan 8.370 nan 0.000 0.465 63 H N -0.219 118.920 119.070 0.116 0.000 2.352 63 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 63 H C 2.038 177.410 175.328 0.073 0.000 1.097 63 H CA 1.058 57.166 56.048 0.100 0.000 1.311 63 H CB -0.698 29.146 29.762 0.137 0.000 1.377 63 H HN 0.334 nan 8.280 nan 0.000 0.504 64 Y N 1.782 122.135 120.300 0.088 0.000 2.097 64 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 64 Y C 2.735 178.592 175.900 -0.072 0.000 1.152 64 Y CA 1.689 59.714 58.100 -0.125 0.000 1.136 64 Y CB -0.089 38.223 38.460 -0.247 0.000 0.975 64 Y HN -0.043 nan 8.280 nan 0.000 0.498 65 R N 0.056 120.643 120.500 0.145 0.000 2.115 65 R HA -0.142 4.198 4.340 -0.000 0.000 0.230 65 R C 1.742 178.026 176.300 -0.026 0.000 1.111 65 R CA 1.357 57.484 56.100 0.046 0.000 0.976 65 R CB -0.290 30.070 30.300 0.100 0.000 0.870 65 R HN 0.424 nan 8.270 nan 0.000 0.445 66 D N 0.107 120.510 120.400 0.004 0.000 2.097 66 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 66 D C 1.952 178.238 176.300 -0.024 0.000 0.989 66 D CA 1.123 55.127 54.000 0.006 0.000 0.827 66 D CB -0.230 40.601 40.800 0.052 0.000 0.966 66 D HN -0.013 nan 8.370 nan 0.000 0.456 67 V N 1.056 120.935 119.914 -0.058 0.000 2.343 67 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 67 V C 2.452 178.479 176.094 -0.112 0.000 1.051 67 V CA 0.983 63.231 62.300 -0.087 0.000 1.036 67 V CB -0.446 31.288 31.823 -0.148 0.000 0.654 67 V HN 0.133 nan 8.190 nan 0.000 0.451 68 L N 0.618 121.714 121.223 -0.212 0.000 2.042 68 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 68 L C 2.422 179.232 176.870 -0.100 0.000 1.076 68 L CA 2.297 57.014 54.840 -0.204 0.000 0.749 68 L CB -0.848 41.032 42.059 -0.298 0.000 0.893 68 L HN 0.283 nan 8.230 nan 0.000 0.432 69 K N -0.509 119.849 120.400 -0.069 0.000 2.063 69 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 69 K C 1.942 178.527 176.600 -0.024 0.000 1.048 69 K CA 1.983 58.249 56.287 -0.036 0.000 0.928 69 K CB -0.117 32.371 32.500 -0.020 0.000 0.713 69 K HN 0.521 nan 8.250 nan 0.000 0.442 70 E N 0.045 120.235 120.200 -0.017 0.000 2.072 70 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 70 E C 2.085 178.685 176.600 0.000 0.000 0.985 70 E CA 1.564 57.965 56.400 0.002 0.000 0.801 70 E CB -0.066 29.646 29.700 0.020 0.000 0.750 70 E HN 0.350 nan 8.360 nan 0.000 0.452 71 M N 0.580 120.177 119.600 -0.004 0.000 2.117 71 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 71 M C 2.132 178.408 176.300 -0.041 0.000 1.065 71 M CA 1.447 56.736 55.300 -0.018 0.000 1.114 71 M CB -0.114 32.476 32.600 -0.017 0.000 1.361 71 M HN -0.058 nan 8.290 nan 0.000 0.408 72 K N 0.242 120.617 120.400 -0.042 0.000 2.097 72 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 72 K C 2.099 178.685 176.600 -0.025 0.000 1.049 72 K CA 1.361 57.626 56.287 -0.037 0.000 0.933 72 K CB -0.237 32.241 32.500 -0.036 0.000 0.717 72 K HN 0.297 nan 8.250 nan 0.000 0.442 73 A N 1.856 124.664 122.820 -0.019 0.000 1.933 73 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 73 A C 1.861 179.435 177.584 -0.016 0.000 1.175 73 A CA 1.473 53.502 52.037 -0.013 0.000 0.628 73 A CB -0.215 18.780 19.000 -0.008 0.000 0.814 73 A HN 0.190 nan 8.150 nan 0.000 0.444 74 K N -0.397 119.989 120.400 -0.023 0.000 2.062 74 K HA 0.043 4.363 4.320 -0.000 0.000 0.205 74 K C 2.294 178.872 176.600 -0.037 0.000 1.051 74 K CA 0.943 57.211 56.287 -0.032 0.000 0.941 74 K CB -0.297 32.176 32.500 -0.045 0.000 0.719 74 K HN 0.408 nan 8.250 nan 0.000 0.440 75 A N 1.220 124.017 122.820 -0.038 0.000 1.978 75 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 75 A C 2.068 179.644 177.584 -0.013 0.000 1.170 75 A CA 1.694 53.714 52.037 -0.029 0.000 0.636 75 A CB -0.479 18.507 19.000 -0.023 0.000 0.810 75 A HN 0.163 nan 8.150 nan 0.000 0.448 76 S N -0.427 115.266 115.700 -0.011 0.000 2.507 76 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 76 S C 1.872 176.469 174.600 -0.005 0.000 0.988 76 S CA 1.529 59.727 58.200 -0.004 0.000 0.944 76 S CB -0.448 62.749 63.200 -0.004 0.000 0.762 76 S HN 0.914 nan 8.310 nan 0.000 0.526 77 T N -1.219 113.328 114.554 -0.012 0.000 3.081 77 T HA 0.207 4.557 4.350 -0.000 0.000 0.250 77 T C 0.493 175.185 174.700 -0.014 0.000 1.100 77 T CA -0.135 61.958 62.100 -0.012 0.000 1.038 77 T CB -0.211 68.647 68.868 -0.016 0.000 0.962 77 T HN 0.023 nan 8.240 nan 0.000 0.516 78 V N 2.218 122.123 119.914 -0.016 0.000 2.530 78 V HA 0.358 4.478 4.120 -0.000 0.000 0.282 78 V C 0.156 176.246 176.094 -0.006 0.000 1.048 78 V CA -0.755 61.535 62.300 -0.018 0.000 0.997 78 V CB 1.044 32.852 31.823 -0.025 0.000 0.987 78 V HN 0.391 nan 8.190 nan 0.000 0.477 79 K N 3.933 124.329 120.400 -0.007 0.000 2.339 79 K HA 0.739 5.059 4.320 -0.000 0.000 0.264 79 K C -0.557 176.043 176.600 0.001 0.000 0.986 79 K CA -0.377 55.911 56.287 0.001 0.000 0.866 79 K CB 1.340 33.841 32.500 0.003 0.000 1.103 79 K HN 0.835 nan 8.250 nan 0.000 0.441 80 A N 4.334 127.158 122.820 0.007 0.000 2.374 80 A HA 0.566 4.886 4.320 -0.000 0.000 0.317 80 A C -1.140 176.458 177.584 0.023 0.000 1.094 80 A CA -0.852 51.189 52.037 0.008 0.000 0.765 80 A CB 1.110 20.109 19.000 -0.002 0.000 1.268 80 A HN 0.743 nan 8.150 nan 0.000 0.438 81 K N 0.671 121.088 120.400 0.029 0.000 2.208 81 K HA 0.519 4.839 4.320 -0.000 0.000 0.247 81 K C -1.165 175.463 176.600 0.046 0.000 0.953 81 K CA -0.841 55.467 56.287 0.035 0.000 0.837 81 K CB 2.075 34.591 32.500 0.027 0.000 1.131 81 K HN 0.535 nan 8.250 nan 0.000 0.431 82 L N 2.722 123.971 121.223 0.043 0.000 2.416 82 L HA 0.134 4.474 4.340 -0.000 0.000 0.272 82 L C -0.784 176.078 176.870 -0.014 0.000 1.161 82 L CA -0.124 54.734 54.840 0.031 0.000 0.845 82 L CB 0.334 42.411 42.059 0.031 0.000 1.119 82 L HN 0.391 nan 8.230 nan 0.000 0.464 83 L N 3.504 124.706 121.223 -0.035 0.000 2.395 83 L HA 0.341 4.681 4.340 -0.000 0.000 0.269 83 L C 0.530 177.303 176.870 -0.161 0.000 1.133 83 L CA 0.409 55.206 54.840 -0.072 0.000 0.812 83 L CB 1.215 43.237 42.059 -0.061 0.000 1.125 83 L HN 0.840 nan 8.230 nan 0.000 0.452 84 S N 1.531 117.146 115.700 -0.141 0.000 2.600 84 S HA 0.201 4.671 4.470 -0.000 0.000 0.265 84 S C 1.329 175.800 174.600 -0.216 0.000 1.325 84 S CA -0.662 57.435 58.200 -0.172 0.000 1.002 84 S CB 0.791 63.924 63.200 -0.112 0.000 0.921 84 S HN 0.335 nan 8.310 nan 0.000 0.554 85 V N 1.306 121.070 119.914 -0.250 0.000 2.287 85 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 85 V C 2.783 178.761 176.094 -0.194 0.000 1.053 85 V CA 2.434 64.565 62.300 -0.281 0.000 1.027 85 V CB -1.331 30.264 31.823 -0.379 0.000 0.646 85 V HN 1.053 nan 8.190 nan 0.000 0.447 86 E N 0.139 120.251 120.200 -0.145 0.000 2.058 86 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 86 E C 2.192 178.724 176.600 -0.114 0.000 0.997 86 E CA 1.778 58.111 56.400 -0.112 0.000 0.801 86 E CB -0.109 29.542 29.700 -0.082 0.000 0.746 86 E HN 0.727 nan 8.360 nan 0.000 0.450 87 E N -0.014 120.115 120.200 -0.119 0.000 2.077 87 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 87 E C 1.996 178.495 176.600 -0.168 0.000 0.989 87 E CA 1.017 57.342 56.400 -0.126 0.000 0.800 87 E CB -0.133 29.501 29.700 -0.111 0.000 0.746 87 E HN 0.375 nan 8.360 nan 0.000 0.452 88 A N 0.522 123.238 122.820 -0.173 0.000 1.930 88 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 88 A C 2.382 179.875 177.584 -0.151 0.000 1.175 88 A CA 1.034 52.964 52.037 -0.180 0.000 0.627 88 A CB -0.784 18.122 19.000 -0.157 0.000 0.815 88 A HN 0.365 nan 8.150 nan 0.000 0.443 89 C N -0.175 119.045 119.300 -0.133 0.000 2.413 89 C HA -0.071 4.389 4.460 -0.000 0.000 0.276 89 C C 2.566 177.494 174.990 -0.103 0.000 1.248 89 C CA 1.232 60.185 59.018 -0.108 0.000 1.742 89 C CB -0.732 26.944 27.740 -0.107 0.000 2.017 89 C HN 0.481 nan 8.230 nan 0.000 0.481 90 K N 0.719 121.057 120.400 -0.103 0.000 2.365 90 K HA 0.087 4.407 4.320 -0.000 0.000 0.199 90 K C 1.507 178.070 176.600 -0.062 0.000 1.045 90 K CA 0.792 57.035 56.287 -0.074 0.000 0.962 90 K CB -0.352 32.111 32.500 -0.062 0.000 0.759 90 K HN 0.552 nan 8.250 nan 0.000 0.469 91 L N 0.876 122.020 121.223 -0.132 0.000 2.558 91 L HA 0.007 4.347 4.340 -0.000 0.000 0.225 91 L C 0.377 177.173 176.870 -0.124 0.000 1.128 91 L CA 0.225 54.962 54.840 -0.172 0.000 0.868 91 L CB -0.151 41.690 42.059 -0.363 0.000 1.006 91 L HN -0.095 nan 8.230 nan 0.000 0.454 92 T N 1.801 116.289 114.554 -0.110 0.000 2.814 92 T HA 0.196 4.546 4.350 -0.000 0.000 0.297 92 T C -2.300 172.287 174.700 -0.189 0.000 0.956 92 T CA -1.118 60.913 62.100 -0.115 0.000 1.123 92 T CB 0.889 69.703 68.868 -0.090 0.000 0.902 92 T HN -0.131 nan 8.240 nan 0.000 0.528 93 P HA 0.124 nan 4.420 nan 0.000 0.266 93 P C -1.880 175.173 177.300 -0.411 0.000 1.195 93 P CA -1.338 61.540 63.100 -0.370 0.000 0.768 93 P CB 0.157 31.763 31.700 -0.157 0.000 0.838 94 P HA -0.143 nan 4.420 nan 0.000 0.218 94 P C 0.364 177.347 177.300 -0.529 0.000 1.148 94 P CA 1.682 64.444 63.100 -0.563 0.000 0.822 94 P CB -0.151 31.131 31.700 -0.698 0.000 0.784 95 H N -2.441 116.520 119.070 -0.181 0.000 2.505 95 H HA 0.278 4.834 4.556 -0.000 0.000 0.286 95 H C 0.538 175.799 175.328 -0.112 0.000 1.072 95 H CA -0.318 55.658 56.048 -0.120 0.000 1.141 95 H CB -0.022 29.682 29.762 -0.097 0.000 1.550 95 H HN -0.022 nan 8.280 nan 0.000 0.547 96 S N 1.252 116.916 115.700 -0.061 0.000 2.568 96 S HA 0.323 4.793 4.470 -0.000 0.000 0.282 96 S C 0.728 175.294 174.600 -0.055 0.000 1.338 96 S CA -0.502 57.654 58.200 -0.073 0.000 1.045 96 S CB 0.201 63.350 63.200 -0.084 0.000 0.873 96 S HN 0.514 nan 8.310 nan 0.000 0.516 97 A N 4.365 127.142 122.820 -0.072 0.000 2.546 97 A HA 0.241 4.561 4.320 -0.000 0.000 0.243 97 A C 0.526 178.099 177.584 -0.019 0.000 1.063 97 A CA -0.108 51.908 52.037 -0.035 0.000 0.757 97 A CB -0.240 18.745 19.000 -0.024 0.000 0.991 97 A HN 0.873 nan 8.150 nan 0.000 0.503 98 K N 2.168 122.548 120.400 -0.034 0.000 2.276 98 K HA 0.325 4.645 4.320 -0.000 0.000 0.259 98 K C 0.354 176.869 176.600 -0.142 0.000 1.001 98 K CA 0.087 56.321 56.287 -0.088 0.000 0.927 98 K CB 0.406 32.854 32.500 -0.088 0.000 0.969 98 K HN 0.431 nan 8.250 nan 0.000 0.490 99 S N 0.259 115.764 115.700 -0.326 0.000 2.592 99 S HA 0.076 4.546 4.470 -0.000 0.000 0.271 99 S C 0.440 174.814 174.600 -0.376 0.000 1.326 99 S CA -0.629 57.325 58.200 -0.411 0.000 1.024 99 S CB 0.615 63.230 63.200 -0.976 0.000 0.921 99 S HN 0.676 nan 8.310 nan 0.000 0.527 100 K N 2.289 122.447 120.400 -0.404 0.000 2.525 100 K HA 0.077 4.397 4.320 -0.000 0.000 0.192 100 K C -0.278 175.901 176.600 -0.700 0.000 1.029 100 K CA 0.646 56.606 56.287 -0.546 0.000 1.029 100 K CB -0.039 32.076 32.500 -0.641 0.000 0.814 100 K HN 0.582 nan 8.250 nan 0.000 0.503 101 F N 0.165 119.924 119.950 -0.318 0.000 2.750 101 F HA 0.259 4.786 4.527 -0.000 0.000 0.297 101 F C 1.045 176.720 175.800 -0.208 0.000 1.138 101 F CA -0.459 57.362 58.000 -0.298 0.000 1.346 101 F CB 0.915 39.594 39.000 -0.536 0.000 0.965 101 F HN 0.061 nan 8.300 nan 0.000 0.514 102 G N 0.446 109.187 108.800 -0.099 0.000 2.130 102 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 102 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 102 G C -0.405 174.567 174.900 0.120 0.000 0.999 102 G CA 0.017 45.128 45.100 0.019 0.000 0.686 102 G HN 0.539 nan 8.290 nan 0.000 0.515 103 Y N -2.499 117.785 120.300 -0.027 0.000 2.624 103 Y HA 0.764 5.314 4.550 -0.000 0.000 0.334 103 Y C 0.346 176.237 175.900 -0.015 0.000 1.155 103 Y CA -1.074 57.015 58.100 -0.018 0.000 1.046 103 Y CB 0.561 39.015 38.460 -0.010 0.000 1.316 103 Y HN 0.667 nan 8.280 nan 0.000 0.457 104 G N -0.058 108.820 108.800 0.130 0.000 2.932 104 G HA2 0.544 4.504 3.960 -0.000 0.000 0.283 104 G HA3 0.544 4.504 3.960 -0.000 0.000 0.283 104 G C 0.242 175.199 174.900 0.096 0.000 1.336 104 G CA -0.781 44.342 45.100 0.038 0.000 1.056 104 G HN 1.199 nan 8.290 nan 0.000 0.522 105 A N -0.516 122.310 122.820 0.009 0.000 1.933 105 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 105 A C 2.147 179.694 177.584 -0.060 0.000 1.175 105 A CA 1.722 53.744 52.037 -0.025 0.000 0.628 105 A CB -0.330 18.615 19.000 -0.091 0.000 0.814 105 A HN 0.568 nan 8.150 nan 0.000 0.444 106 K N -0.278 120.076 120.400 -0.076 0.000 2.148 106 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 106 K C 1.207 177.779 176.600 -0.047 0.000 1.050 106 K CA 1.206 57.438 56.287 -0.092 0.000 0.942 106 K CB -0.172 32.268 32.500 -0.101 0.000 0.724 106 K HN 0.453 nan 8.250 nan 0.000 0.446 107 D N 0.715 121.117 120.400 0.003 0.000 2.117 107 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 107 D C 2.024 178.313 176.300 -0.018 0.000 0.982 107 D CA 0.924 54.933 54.000 0.014 0.000 0.828 107 D CB -0.131 40.720 40.800 0.085 0.000 0.967 107 D HN -0.070 nan 8.370 nan 0.000 0.464 108 V N 1.424 121.346 119.914 0.013 0.000 2.295 108 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 108 V C 2.531 178.588 176.094 -0.063 0.000 1.049 108 V CA 1.584 63.868 62.300 -0.026 0.000 1.024 108 V CB -0.347 31.498 31.823 0.037 0.000 0.648 108 V HN 0.132 nan 8.190 nan 0.000 0.447 109 R N 0.208 120.665 120.500 -0.071 0.000 2.120 109 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 109 R C 1.797 178.053 176.300 -0.073 0.000 1.123 109 R CA 1.410 57.457 56.100 -0.088 0.000 0.975 109 R CB -0.358 29.869 30.300 -0.123 0.000 0.866 109 R HN 0.489 nan 8.270 nan 0.000 0.446 110 N N 0.740 119.401 118.700 -0.065 0.000 2.461 110 N HA 0.056 4.796 4.740 -0.000 0.000 0.188 110 N C 0.103 175.581 175.510 -0.054 0.000 1.134 110 N CA 0.293 53.311 53.050 -0.054 0.000 0.878 110 N CB 0.114 38.574 38.487 -0.046 0.000 0.972 110 N HN 0.128 nan 8.380 nan 0.000 0.456 111 L N 0.391 121.574 121.223 -0.066 0.000 3.634 111 L HA -0.227 4.113 4.340 -0.000 0.000 0.423 111 L C 0.108 176.938 176.870 -0.068 0.000 1.253 111 L CA -0.038 54.758 54.840 -0.073 0.000 0.885 111 L CB -2.653 39.369 42.059 -0.062 0.000 1.789 111 L HN 0.149 nan 8.230 nan 0.000 0.904 112 S N -1.143 114.513 115.700 -0.074 0.000 2.572 112 S HA 0.320 4.790 4.470 -0.000 0.000 0.279 112 S C 1.514 176.067 174.600 -0.078 0.000 1.341 112 S CA -0.116 58.046 58.200 -0.064 0.000 1.043 112 S CB 1.763 64.931 63.200 -0.053 0.000 0.887 112 S HN 0.510 nan 8.310 nan 0.000 0.516 113 S N 2.631 118.301 115.700 -0.049 0.000 2.370 113 S HA -0.251 4.219 4.470 -0.000 0.000 0.226 113 S C 1.722 176.290 174.600 -0.053 0.000 1.033 113 S CA 1.338 59.516 58.200 -0.037 0.000 1.011 113 S CB -0.694 62.496 63.200 -0.018 0.000 0.852 113 S HN 0.866 nan 8.310 nan 0.000 0.457 114 K N 1.717 122.078 120.400 -0.064 0.000 2.026 114 K HA 0.023 4.343 4.320 -0.000 0.000 0.208 114 K C 2.364 178.817 176.600 -0.245 0.000 1.048 114 K CA 1.120 57.364 56.287 -0.070 0.000 0.929 114 K CB -0.647 31.850 32.500 -0.006 0.000 0.713 114 K HN 0.431 nan 8.250 nan 0.000 0.439 115 A N 0.537 123.089 122.820 -0.448 0.000 1.858 115 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 115 A C 2.258 179.550 177.584 -0.488 0.000 1.190 115 A CA 1.729 53.201 52.037 -0.943 0.000 0.617 115 A CB -0.802 17.797 19.000 -0.669 0.000 0.827 115 A HN 0.164 nan 8.150 nan 0.000 0.443 116 V N 1.044 120.803 119.914 -0.258 0.000 2.343 116 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 116 V C 2.306 178.370 176.094 -0.050 0.000 1.051 116 V CA 2.229 64.426 62.300 -0.170 0.000 1.036 116 V CB -1.076 30.695 31.823 -0.088 0.000 0.654 116 V HN 0.545 nan 8.190 nan 0.000 0.451 117 N N -0.664 118.052 118.700 0.027 0.000 2.166 117 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 117 N C 1.859 177.417 175.510 0.080 0.000 1.019 117 N CA 1.468 54.583 53.050 0.108 0.000 0.856 117 N CB -0.577 37.944 38.487 0.058 0.000 0.993 117 N HN 0.639 nan 8.380 nan 0.000 0.426 118 H N 0.735 119.764 119.070 -0.068 0.000 2.357 118 H HA 0.029 4.585 4.556 0.000 0.000 0.301 118 H C 2.000 177.314 175.328 -0.022 0.000 1.082 118 H CA 1.103 57.130 56.048 -0.035 0.000 1.342 118 H CB -0.021 29.761 29.762 0.032 0.000 1.389 118 H HN 0.133 nan 8.280 nan 0.000 0.511 119 I N 0.252 120.767 120.570 -0.093 0.000 2.163 119 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 119 I C 2.390 178.437 176.117 -0.115 0.000 1.085 119 I CA 1.545 62.769 61.300 -0.126 0.000 1.347 119 I CB -0.502 37.398 38.000 -0.167 0.000 1.044 119 I HN 0.330 nan 8.210 nan 0.000 0.408 120 H N 0.110 119.148 119.070 -0.054 0.000 2.387 120 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 120 H C 2.551 177.888 175.328 0.016 0.000 1.099 120 H CA 1.922 57.966 56.048 -0.007 0.000 1.315 120 H CB -0.037 29.706 29.762 -0.032 0.000 1.380 120 H HN 0.407 nan 8.280 nan 0.000 0.513 121 S N -0.064 115.658 115.700 0.037 0.000 2.387 121 S HA -0.113 4.357 4.470 -0.000 0.000 0.226 121 S C 2.262 176.794 174.600 -0.113 0.000 1.026 121 S CA 1.096 59.264 58.200 -0.052 0.000 0.972 121 S CB -0.624 62.508 63.200 -0.113 0.000 0.814 121 S HN 0.161 nan 8.310 nan 0.000 0.477 122 V N 0.810 120.603 119.914 -0.201 0.000 2.358 122 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 122 V C 2.250 178.339 176.094 -0.007 0.000 1.047 122 V CA 1.764 63.967 62.300 -0.162 0.000 1.035 122 V CB -1.081 30.630 31.823 -0.186 0.000 0.658 122 V HN 0.699 nan 8.190 nan 0.000 0.452 123 W N 1.397 122.633 121.300 -0.107 0.000 2.355 123 W HA -0.225 4.435 4.660 -0.000 0.000 0.309 123 W C 2.540 179.034 176.519 -0.041 0.000 1.206 123 W CA 2.290 59.600 57.345 -0.058 0.000 1.284 123 W CB -0.146 29.293 29.460 -0.035 0.000 1.145 123 W HN 0.235 nan 8.180 nan 0.000 0.502 124 K N 0.573 121.043 120.400 0.115 0.000 2.063 124 K HA -0.282 4.038 4.320 -0.000 0.000 0.208 124 K C 1.735 178.282 176.600 -0.089 0.000 1.048 124 K CA 2.330 58.625 56.287 0.013 0.000 0.928 124 K CB -0.602 31.929 32.500 0.052 0.000 0.713 124 K HN 0.036 nan 8.250 nan 0.000 0.442 125 D N 0.120 120.466 120.400 -0.091 0.000 2.144 125 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 125 D C 1.966 178.176 176.300 -0.151 0.000 0.984 125 D CA 0.932 54.867 54.000 -0.107 0.000 0.834 125 D CB 0.076 40.815 40.800 -0.102 0.000 0.955 125 D HN 0.210 nan 8.370 nan 0.000 0.465 126 L N -0.072 121.019 121.223 -0.220 0.000 2.046 126 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 126 L C 2.425 179.108 176.870 -0.311 0.000 1.077 126 L CA 0.703 55.368 54.840 -0.290 0.000 0.747 126 L CB -0.317 41.490 42.059 -0.420 0.000 0.896 126 L HN 0.230 nan 8.230 nan 0.000 0.432 127 L N -0.910 120.098 121.223 -0.358 0.000 2.141 127 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 127 L C 2.338 179.115 176.870 -0.156 0.000 1.094 127 L CA 1.152 55.827 54.840 -0.275 0.000 0.763 127 L CB -0.411 41.492 42.059 -0.259 0.000 0.908 127 L HN 0.292 nan 8.230 nan 0.000 0.437 128 E N -0.833 119.290 120.200 -0.128 0.000 2.122 128 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 128 E C 0.385 176.939 176.600 -0.076 0.000 0.977 128 E CA 0.409 56.759 56.400 -0.083 0.000 0.820 128 E CB 0.334 29.995 29.700 -0.066 0.000 0.770 128 E HN 0.197 nan 8.360 nan 0.000 0.462 129 D N -0.126 120.220 120.400 -0.090 0.000 2.492 129 D HA 0.060 4.700 4.640 -0.000 0.000 0.248 129 D C -0.205 176.044 176.300 -0.084 0.000 1.101 129 D CA -0.212 53.744 54.000 -0.074 0.000 0.840 129 D CB 1.538 42.299 40.800 -0.065 0.000 1.209 129 D HN -0.027 nan 8.370 nan 0.000 0.524 130 T N 0.304 114.818 114.554 -0.067 0.000 3.182 130 T HA 0.234 4.584 4.350 -0.000 0.000 0.277 130 T C 0.956 175.627 174.700 -0.047 0.000 1.013 130 T CA -0.134 61.926 62.100 -0.065 0.000 0.900 130 T CB 0.120 68.954 68.868 -0.058 0.000 1.098 130 T HN 0.140 nan 8.240 nan 0.000 0.543 131 V N 0.054 119.945 119.914 -0.039 0.000 3.137 131 V HA 0.209 4.329 4.120 -0.000 0.000 0.236 131 V C 0.982 177.067 176.094 -0.016 0.000 1.260 131 V CA 0.190 62.475 62.300 -0.024 0.000 1.244 131 V CB -0.037 31.774 31.823 -0.019 0.000 1.016 131 V HN 0.446 nan 8.190 nan 0.000 0.477 132 T N 4.130 118.672 114.554 -0.020 0.000 2.784 132 T HA 0.223 4.573 4.350 -0.000 0.000 0.291 132 T C -2.453 172.244 174.700 -0.005 0.000 0.942 132 T CA -0.601 61.495 62.100 -0.007 0.000 1.161 132 T CB 0.623 69.486 68.868 -0.009 0.000 0.885 132 T HN 0.176 nan 8.240 nan 0.000 0.534 133 P HA 0.125 nan 4.420 nan 0.000 0.262 133 P C -0.200 177.098 177.300 -0.003 0.000 1.182 133 P CA -0.039 63.071 63.100 0.017 0.000 0.761 133 P CB 0.281 32.031 31.700 0.083 0.000 0.795 134 I N 2.466 123.017 120.570 -0.032 0.000 2.428 134 I HA 0.133 4.303 4.170 -0.000 0.000 0.289 134 I C 0.985 177.086 176.117 -0.026 0.000 1.019 134 I CA -0.438 60.849 61.300 -0.022 0.000 1.351 134 I CB 0.629 38.606 38.000 -0.038 0.000 1.412 134 I HN 0.313 nan 8.210 nan 0.000 0.513 135 D N 4.451 124.852 120.400 0.002 0.000 2.423 135 D HA 0.152 4.792 4.640 -0.000 0.000 0.238 135 D C -0.308 175.961 176.300 -0.051 0.000 1.142 135 D CA 0.302 54.290 54.000 -0.019 0.000 0.884 135 D CB 0.780 41.585 40.800 0.008 0.000 1.199 135 D HN 0.628 nan 8.370 nan 0.000 0.438 136 T N -0.613 113.882 114.554 -0.099 0.000 2.906 136 T HA 0.601 4.951 4.350 -0.000 0.000 0.295 136 T C -0.385 174.167 174.700 -0.246 0.000 1.061 136 T CA -0.987 61.015 62.100 -0.164 0.000 1.000 136 T CB 1.536 70.328 68.868 -0.127 0.000 1.103 136 T HN 0.216 nan 8.240 nan 0.000 0.486 137 T N 2.357 116.612 114.554 -0.499 0.000 2.795 137 T HA 0.562 4.912 4.350 -0.000 0.000 0.282 137 T C -0.268 174.160 174.700 -0.454 0.000 0.980 137 T CA -0.570 61.206 62.100 -0.540 0.000 1.012 137 T CB 0.715 69.107 68.868 -0.792 0.000 0.936 137 T HN 0.717 nan 8.240 nan 0.000 0.457 138 I N 4.193 124.666 120.570 -0.162 0.000 2.359 138 I HA 0.517 4.687 4.170 -0.000 0.000 0.294 138 I C -0.855 175.289 176.117 0.045 0.000 0.987 138 I CA -0.694 60.601 61.300 -0.008 0.000 1.225 138 I CB 0.576 38.625 38.000 0.083 0.000 1.366 138 I HN 0.406 nan 8.210 nan 0.000 0.466 139 M N 6.343 126.020 119.600 0.127 0.000 2.550 139 M HA 0.498 4.978 4.480 -0.000 0.000 0.292 139 M C -0.643 175.722 176.300 0.110 0.000 1.221 139 M CA -0.615 54.769 55.300 0.140 0.000 0.873 139 M CB 1.838 34.582 32.600 0.241 0.000 1.727 139 M HN 0.589 nan 8.290 nan 0.000 0.459 140 A N 2.169 125.033 122.820 0.073 0.000 2.328 140 A HA 0.492 4.812 4.320 -0.000 0.000 0.284 140 A C -0.087 177.536 177.584 0.065 0.000 1.160 140 A CA -0.462 51.610 52.037 0.058 0.000 0.818 140 A CB 0.309 19.329 19.000 0.033 0.000 1.087 140 A HN 0.755 nan 8.150 nan 0.000 0.504 141 K N 1.922 122.362 120.400 0.068 0.000 2.350 141 K HA 0.094 4.414 4.320 -0.000 0.000 0.279 141 K C -0.581 176.034 176.600 0.026 0.000 1.027 141 K CA 0.155 56.472 56.287 0.049 0.000 0.969 141 K CB 0.487 33.024 32.500 0.062 0.000 0.954 141 K HN 0.776 nan 8.250 nan 0.000 0.474 142 N N 2.890 121.578 118.700 -0.020 0.000 2.500 142 N HA 0.100 4.840 4.740 -0.000 0.000 0.236 142 N C -1.204 174.197 175.510 -0.182 0.000 1.022 142 N CA -0.263 52.741 53.050 -0.078 0.000 0.935 142 N CB 0.953 39.393 38.487 -0.078 0.000 1.147 142 N HN 0.381 nan 8.380 nan 0.000 0.512 143 E N 1.040 121.115 120.200 -0.209 0.000 2.293 143 E HA 0.389 4.739 4.350 -0.000 0.000 0.270 143 E C -0.971 175.229 176.600 -0.666 0.000 0.879 143 E CA -0.920 55.235 56.400 -0.408 0.000 0.756 143 E CB 2.587 32.113 29.700 -0.290 0.000 1.208 143 E HN 0.107 nan 8.360 nan 0.000 0.428 144 V N 3.502 122.876 119.914 -0.900 0.000 2.439 144 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 144 V C -0.726 174.731 176.094 -1.061 0.000 1.039 144 V CA -0.201 61.582 62.300 -0.862 0.000 0.913 144 V CB 0.014 31.430 31.823 -0.679 0.000 0.983 144 V HN 0.503 nan 8.190 nan 0.000 0.460 145 F N 2.407 122.009 119.950 -0.580 0.000 2.650 145 F HA 0.613 5.140 4.527 0.000 0.000 0.320 145 F C 0.135 175.717 175.800 -0.362 0.000 1.091 145 F CA -0.758 56.962 58.000 -0.466 0.000 0.962 145 F CB 1.351 40.060 39.000 -0.486 0.000 1.363 145 F HN 0.515 nan 8.300 nan 0.000 0.482 146 C N 2.617 121.997 119.300 0.133 0.000 2.358 146 C HA 0.772 5.232 4.460 -0.000 0.000 0.342 146 C C 0.034 175.235 174.990 0.352 0.000 1.234 146 C CA -0.766 58.377 59.018 0.209 0.000 1.969 146 C CB -0.014 27.809 27.740 0.138 0.000 2.346 146 C HN 0.708 nan 8.230 nan 0.000 0.525 147 V N 5.468 125.627 119.914 0.407 0.000 2.694 147 V HA 0.259 4.379 4.120 -0.000 0.000 0.306 147 V C -0.104 176.084 176.094 0.157 0.000 1.054 147 V CA 0.571 63.048 62.300 0.294 0.000 1.161 147 V CB 0.338 32.246 31.823 0.141 0.000 0.916 147 V HN 0.882 nan 8.190 nan 0.000 0.490 148 Q N 4.680 124.542 119.800 0.104 0.000 2.616 148 Q HA 0.407 4.747 4.340 -0.000 0.000 0.250 148 Q C -2.691 173.318 176.000 0.015 0.000 0.991 148 Q CA -1.563 54.270 55.803 0.050 0.000 0.707 148 Q CB 2.107 30.868 28.738 0.040 0.000 1.247 148 Q HN 0.661 nan 8.270 nan 0.000 0.491 149 P HA -0.063 nan 4.420 nan 0.000 0.268 149 P C 0.467 177.762 177.300 -0.009 0.000 1.205 149 P CA 0.684 63.780 63.100 -0.007 0.000 0.771 149 P CB 0.609 32.305 31.700 -0.006 0.000 0.858 150 E N 1.101 121.293 120.200 -0.014 0.000 4.273 150 E HA -0.262 4.088 4.350 -0.000 0.000 0.390 150 E C -0.125 176.464 176.600 -0.017 0.000 0.590 150 E CA 1.147 57.539 56.400 -0.014 0.000 1.435 150 E CB -1.815 27.879 29.700 -0.010 0.000 1.844 150 E HN 0.440 nan 8.360 nan 0.000 0.369 151 K N 0.593 120.982 120.400 -0.020 0.000 2.372 151 K HA 0.304 4.624 4.320 -0.000 0.000 0.200 151 K C 1.237 177.818 176.600 -0.032 0.000 1.022 151 K CA 0.931 57.202 56.287 -0.026 0.000 1.125 151 K CB 0.221 32.703 32.500 -0.029 0.000 0.855 151 K HN 0.538 nan 8.250 nan 0.000 0.524 152 G N -0.946 107.836 108.800 -0.031 0.000 2.175 152 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 152 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 152 G C 0.796 175.665 174.900 -0.051 0.000 0.982 152 G CA 0.035 45.112 45.100 -0.037 0.000 0.641 152 G HN 0.665 nan 8.290 nan 0.000 0.527 153 G N -0.599 108.173 108.800 -0.047 0.000 2.900 153 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.223 153 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.223 153 G C 0.337 175.183 174.900 -0.089 0.000 1.293 153 G CA 1.013 46.078 45.100 -0.058 0.000 0.792 153 G HN 1.252 nan 8.290 nan 0.000 0.527 154 R N 1.068 121.483 120.500 -0.142 0.000 2.621 154 R HA 0.488 4.828 4.340 -0.000 0.000 0.292 154 R C -0.223 176.030 176.300 -0.079 0.000 0.969 154 R CA -0.639 55.329 56.100 -0.220 0.000 0.887 154 R CB 1.737 31.728 30.300 -0.515 0.000 1.180 154 R HN 0.541 nan 8.270 nan 0.000 0.450 155 K N 2.275 122.681 120.400 0.010 0.000 2.205 155 K HA 0.409 4.729 4.320 -0.000 0.000 0.279 155 K C -2.463 174.152 176.600 0.025 0.000 1.027 155 K CA -1.806 54.452 56.287 -0.049 0.000 0.932 155 K CB 0.799 33.164 32.500 -0.226 0.000 1.032 155 K HN 0.120 nan 8.250 nan 0.000 0.466 156 P HA -0.010 nan 4.420 nan 0.000 0.272 156 P C -0.733 176.605 177.300 0.063 0.000 1.223 156 P CA -0.331 62.789 63.100 0.033 0.000 0.784 156 P CB 0.586 32.291 31.700 0.007 0.000 0.923 157 A N 3.066 125.932 122.820 0.077 0.000 2.511 157 A HA 0.088 4.408 4.320 -0.000 0.000 0.242 157 A C 0.517 178.148 177.584 0.078 0.000 1.069 157 A CA -0.010 52.083 52.037 0.094 0.000 0.763 157 A CB -0.231 18.813 19.000 0.073 0.000 1.001 157 A HN 0.439 nan 8.150 nan 0.000 0.498 158 R N 0.541 121.104 120.500 0.105 0.000 2.582 158 R HA 0.318 4.658 4.340 -0.000 0.000 0.271 158 R C -1.060 175.297 176.300 0.095 0.000 1.078 158 R CA -0.615 55.548 56.100 0.105 0.000 1.127 158 R CB 0.281 30.660 30.300 0.131 0.000 1.038 158 R HN 0.482 nan 8.270 nan 0.000 0.500 159 L N 2.973 124.258 121.223 0.103 0.000 2.264 159 L HA 0.362 4.702 4.340 -0.000 0.000 0.289 159 L C -0.248 176.715 176.870 0.156 0.000 1.044 159 L CA -0.267 54.638 54.840 0.108 0.000 0.807 159 L CB 1.096 43.204 42.059 0.082 0.000 1.192 159 L HN 0.478 nan 8.230 nan 0.000 0.425 160 I N 4.317 124.992 120.570 0.175 0.000 2.377 160 I HA 0.577 4.747 4.170 -0.000 0.000 0.293 160 I C -0.878 175.415 176.117 0.292 0.000 0.987 160 I CA -0.216 61.225 61.300 0.235 0.000 1.185 160 I CB 1.448 39.584 38.000 0.226 0.000 1.341 160 I HN 0.242 nan 8.210 nan 0.000 0.455 161 V N 8.833 128.920 119.914 0.288 0.000 2.483 161 V HA 0.576 4.696 4.120 -0.000 0.000 0.297 161 V C -0.822 175.435 176.094 0.271 0.000 1.027 161 V CA -0.482 61.935 62.300 0.194 0.000 0.855 161 V CB 1.121 33.035 31.823 0.151 0.000 0.995 161 V HN 0.609 nan 8.190 nan 0.000 0.424 162 F N 4.979 124.974 119.950 0.076 0.000 2.608 162 F HA 0.941 5.468 4.527 -0.000 0.000 0.309 162 F C -3.087 172.752 175.800 0.065 0.000 1.103 162 F CA -2.583 55.462 58.000 0.075 0.000 0.954 162 F CB 1.695 40.734 39.000 0.066 0.000 1.267 162 F HN 0.302 nan 8.300 nan 0.000 0.444 163 P HA 0.203 nan 4.420 nan 0.000 0.282 163 P C -1.042 176.377 177.300 0.199 0.000 1.287 163 P CA -0.176 62.989 63.100 0.107 0.000 0.792 163 P CB 1.045 32.814 31.700 0.114 0.000 1.163 164 D N -1.025 119.473 120.400 0.164 0.000 2.400 164 D HA -0.044 4.596 4.640 -0.000 0.000 0.238 164 D C 1.352 177.780 176.300 0.214 0.000 1.157 164 D CA -0.272 53.848 54.000 0.199 0.000 0.889 164 D CB 0.275 41.238 40.800 0.272 0.000 1.199 164 D HN 0.113 nan 8.370 nan 0.000 0.436 165 L N 3.403 124.731 121.223 0.175 0.000 2.051 165 L HA -0.047 4.293 4.340 -0.000 0.000 0.214 165 L C 2.030 179.042 176.870 0.236 0.000 1.076 165 L CA 2.641 57.578 54.840 0.162 0.000 0.758 165 L CB -1.107 41.002 42.059 0.082 0.000 0.890 165 L HN 0.658 nan 8.230 nan 0.000 0.433 166 G N -1.190 107.816 108.800 0.343 0.000 2.440 166 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 166 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 166 G C 1.526 176.553 174.900 0.213 0.000 1.154 166 G CA 1.143 46.473 45.100 0.383 0.000 0.767 166 G HN 0.369 nan 8.290 nan 0.000 0.552 167 V N 0.792 120.822 119.914 0.193 0.000 2.343 167 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 167 V C 2.926 179.109 176.094 0.148 0.000 1.051 167 V CA 1.971 64.355 62.300 0.139 0.000 1.036 167 V CB -0.486 31.407 31.823 0.116 0.000 0.654 167 V HN 0.334 nan 8.190 nan 0.000 0.451 168 R N -0.246 120.349 120.500 0.159 0.000 2.081 168 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 168 R C 2.243 178.612 176.300 0.116 0.000 1.131 168 R CA 1.481 57.667 56.100 0.144 0.000 0.960 168 R CB -0.650 29.729 30.300 0.132 0.000 0.856 168 R HN 0.431 nan 8.270 nan 0.000 0.436 169 V N 0.505 120.481 119.914 0.104 0.000 2.407 169 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 169 V C 2.498 178.631 176.094 0.064 0.000 1.055 169 V CA 1.549 63.881 62.300 0.052 0.000 1.049 169 V CB -0.483 31.359 31.823 0.031 0.000 0.662 169 V HN 0.450 nan 8.190 nan 0.000 0.455 170 C N -0.163 119.220 119.300 0.138 0.000 2.425 170 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 170 C C 2.666 177.843 174.990 0.311 0.000 1.280 170 C CA 0.808 59.993 59.018 0.278 0.000 1.744 170 C CB -0.979 26.974 27.740 0.356 0.000 1.989 170 C HN 0.619 nan 8.230 nan 0.000 0.491 171 E N 0.883 121.215 120.200 0.219 0.000 2.058 171 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 171 E C 2.146 178.872 176.600 0.210 0.000 0.997 171 E CA 1.279 57.816 56.400 0.229 0.000 0.801 171 E CB -0.162 29.679 29.700 0.235 0.000 0.746 171 E HN 0.634 nan 8.360 nan 0.000 0.450 172 K N 0.317 120.809 120.400 0.154 0.000 2.032 172 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 172 K C 2.224 178.888 176.600 0.108 0.000 1.048 172 K CA 1.466 57.826 56.287 0.122 0.000 0.927 172 K CB -0.134 32.364 32.500 -0.002 0.000 0.712 172 K HN 0.118 nan 8.250 nan 0.000 0.441 173 M N 0.181 119.806 119.600 0.042 0.000 2.080 173 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 173 M C 2.438 178.794 176.300 0.094 0.000 1.068 173 M CA 1.807 57.069 55.300 -0.063 0.000 1.109 173 M CB -0.352 32.006 32.600 -0.404 0.000 1.342 173 M HN 0.253 nan 8.290 nan 0.000 0.405 174 A N -0.544 122.454 122.820 0.297 0.000 1.929 174 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 174 A C 1.841 179.526 177.584 0.170 0.000 1.176 174 A CA 1.247 53.489 52.037 0.341 0.000 0.628 174 A CB -0.209 19.012 19.000 0.368 0.000 0.816 174 A HN 0.504 nan 8.150 nan 0.000 0.444 175 L N -3.186 118.123 121.223 0.143 0.000 3.039 175 L HA 0.195 4.535 4.340 -0.000 0.000 0.269 175 L C 1.798 178.700 176.870 0.054 0.000 1.169 175 L CA 0.005 54.867 54.840 0.037 0.000 0.986 175 L CB 0.125 42.179 42.059 -0.008 0.000 1.377 175 L HN 0.453 nan 8.230 nan 0.000 0.575 176 Y N 1.426 121.744 120.300 0.030 0.000 2.128 176 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 176 Y C 2.186 178.122 175.900 0.059 0.000 1.154 176 Y CA 2.291 60.428 58.100 0.061 0.000 1.149 176 Y CB 0.099 38.588 38.460 0.048 0.000 0.976 176 Y HN 0.219 nan 8.280 nan 0.000 0.505 177 D N -0.734 119.693 120.400 0.045 0.000 2.117 177 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 177 D C 2.249 178.482 176.300 -0.111 0.000 0.987 177 D CA 1.496 55.470 54.000 -0.044 0.000 0.829 177 D CB -0.242 40.582 40.800 0.040 0.000 0.961 177 D HN 0.257 nan 8.370 nan 0.000 0.460 178 V N 0.521 120.373 119.914 -0.104 0.000 2.255 178 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 178 V C 2.691 178.665 176.094 -0.199 0.000 1.051 178 V CA 1.910 64.119 62.300 -0.152 0.000 1.018 178 V CB -0.757 30.930 31.823 -0.228 0.000 0.641 178 V HN 0.332 nan 8.190 nan 0.000 0.445 179 V N -2.471 117.304 119.914 -0.231 0.000 2.970 179 V HA -0.089 4.031 4.120 -0.000 0.000 0.260 179 V C 2.041 177.979 176.094 -0.259 0.000 1.100 179 V CA 2.042 64.203 62.300 -0.231 0.000 1.122 179 V CB -0.409 31.299 31.823 -0.191 0.000 0.721 179 V HN 0.461 nan 8.190 nan 0.000 0.483 180 S N 1.045 116.588 115.700 -0.261 0.000 2.446 180 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 180 S C 1.916 176.421 174.600 -0.157 0.000 1.016 180 S CA 1.457 59.525 58.200 -0.219 0.000 0.943 180 S CB -0.002 63.015 63.200 -0.305 0.000 0.786 180 S HN 0.946 nan 8.310 nan 0.000 0.508 181 T N -0.786 113.670 114.554 -0.163 0.000 3.019 181 T HA 0.289 4.639 4.350 -0.000 0.000 0.247 181 T C 1.675 176.277 174.700 -0.163 0.000 0.992 181 T CA -0.118 61.904 62.100 -0.130 0.000 1.036 181 T CB -0.551 68.265 68.868 -0.088 0.000 1.063 181 T HN 0.204 nan 8.240 nan 0.000 0.476 182 L N 2.081 123.203 121.223 -0.168 0.000 2.017 182 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 182 L C -0.876 175.833 176.870 -0.268 0.000 1.073 182 L CA 1.436 56.182 54.840 -0.157 0.000 0.745 182 L CB -0.785 41.233 42.059 -0.069 0.000 0.894 182 L HN 0.140 nan 8.230 nan 0.000 0.432 183 P HA -0.227 nan 4.420 nan 0.000 0.215 183 P C 1.337 178.185 177.300 -0.754 0.000 1.153 183 P CA 1.289 63.947 63.100 -0.737 0.000 0.853 183 P CB -0.181 30.720 31.700 -1.332 0.000 0.788 184 Q N 0.041 119.466 119.800 -0.626 0.000 2.167 184 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 184 Q C 1.942 177.814 176.000 -0.214 0.000 0.970 184 Q CA 1.411 57.033 55.803 -0.300 0.000 0.855 184 Q CB -0.673 27.990 28.738 -0.125 0.000 0.911 184 Q HN 0.080 nan 8.270 nan 0.000 0.438 185 V N 0.048 119.841 119.914 -0.201 0.000 2.307 185 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 185 V C 2.521 178.524 176.094 -0.151 0.000 1.045 185 V CA 1.460 63.676 62.300 -0.139 0.000 1.024 185 V CB -0.511 31.247 31.823 -0.108 0.000 0.651 185 V HN 0.126 nan 8.190 nan 0.000 0.449 186 V N -0.743 119.048 119.914 -0.205 0.000 2.379 186 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 186 V C 2.088 177.999 176.094 -0.306 0.000 1.044 186 V CA 2.149 64.319 62.300 -0.215 0.000 1.036 186 V CB -0.416 31.271 31.823 -0.227 0.000 0.664 186 V HN 0.461 nan 8.190 nan 0.000 0.453 187 M N -1.274 118.074 119.600 -0.419 0.000 2.382 187 M HA 0.343 4.823 4.480 -0.000 0.000 0.247 187 M C 1.459 177.616 176.300 -0.237 0.000 1.104 187 M CA 0.748 55.696 55.300 -0.586 0.000 1.030 187 M CB 0.420 32.563 32.600 -0.763 0.000 1.424 187 M HN 0.485 nan 8.290 nan 0.000 0.486 188 G N 1.630 110.335 108.800 -0.158 0.000 2.611 188 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.301 188 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.301 188 G C 0.819 175.672 174.900 -0.078 0.000 1.233 188 G CA 0.860 45.912 45.100 -0.079 0.000 0.993 188 G HN 0.527 nan 8.290 nan 0.000 0.553 189 S N -0.651 115.024 115.700 -0.042 0.000 2.500 189 S HA 0.059 4.529 4.470 -0.000 0.000 0.239 189 S C 2.191 176.663 174.600 -0.212 0.000 0.989 189 S CA 1.988 60.110 58.200 -0.131 0.000 0.951 189 S CB -0.111 63.087 63.200 -0.004 0.000 0.759 189 S HN 1.013 nan 8.310 nan 0.000 0.523 190 S N 0.159 115.855 115.700 -0.006 0.000 2.489 190 S HA 0.128 4.598 4.470 -0.000 0.000 0.228 190 S C 0.229 174.843 174.600 0.024 0.000 0.995 190 S CA -0.128 58.129 58.200 0.093 0.000 0.934 190 S CB -0.404 62.967 63.200 0.284 0.000 0.771 190 S HN 0.696 nan 8.310 nan 0.000 0.522 191 Y N 3.088 123.254 120.300 -0.223 0.000 2.584 191 Y HA 0.427 4.977 4.550 -0.000 0.000 0.351 191 Y C 1.287 176.971 175.900 -0.359 0.000 1.030 191 Y CA -1.358 56.579 58.100 -0.272 0.000 1.332 191 Y CB -0.015 38.280 38.460 -0.275 0.000 1.148 191 Y HN 0.067 nan 8.280 nan 0.000 0.528 192 G N 4.501 112.868 108.800 -0.722 0.000 2.422 192 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 192 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 192 G C 1.053 175.428 174.900 -0.876 0.000 1.140 192 G CA 0.294 44.989 45.100 -0.674 0.000 0.775 192 G HN 0.640 nan 8.290 nan 0.000 0.545 193 F N 1.269 120.510 119.950 -1.182 0.000 2.748 193 F HA 0.062 4.589 4.527 0.000 0.000 0.299 193 F C 2.794 178.354 175.800 -0.400 0.000 1.154 193 F CA 0.780 58.191 58.000 -0.982 0.000 1.446 193 F CB -0.067 38.330 39.000 -1.006 0.000 1.112 193 F HN 0.365 nan 8.300 nan 0.000 0.584 194 Q N -0.715 118.837 119.800 -0.412 0.000 2.472 194 Q HA -0.084 4.256 4.340 -0.000 0.000 0.208 194 Q C -0.643 175.251 176.000 -0.176 0.000 0.958 194 Q CA 0.765 56.427 55.803 -0.236 0.000 0.932 194 Q CB -0.295 28.203 28.738 -0.401 0.000 1.007 194 Q HN 0.281 nan 8.270 nan 0.000 0.508 195 Y N 1.826 122.160 120.300 0.058 0.000 2.341 195 Y HA 0.304 4.854 4.550 -0.000 0.000 0.337 195 Y C 0.534 176.338 175.900 -0.160 0.000 1.014 195 Y CA -1.459 56.616 58.100 -0.042 0.000 1.111 195 Y CB 1.521 39.911 38.460 -0.117 0.000 1.194 195 Y HN 0.105 nan 8.280 nan 0.000 0.462 196 S N 3.031 118.496 115.700 -0.393 0.000 2.596 196 S HA 0.189 4.659 4.470 -0.000 0.000 0.260 196 S C -1.933 172.345 174.600 -0.536 0.000 1.336 196 S CA -0.958 56.520 58.200 -1.203 0.000 0.993 196 S CB 1.072 63.651 63.200 -1.036 0.000 0.923 196 S HN 0.428 nan 8.310 nan 0.000 0.567 197 P HA -0.031 nan 4.420 nan 0.000 0.215 197 P C 1.719 178.939 177.300 -0.133 0.000 1.157 197 P CA 1.854 64.830 63.100 -0.206 0.000 0.874 197 P CB -0.572 31.072 31.700 -0.095 0.000 0.790 198 G N -0.557 108.133 108.800 -0.185 0.000 2.408 198 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 198 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 198 G C 1.547 176.386 174.900 -0.101 0.000 1.150 198 G CA 0.517 45.562 45.100 -0.092 0.000 0.776 198 G HN 0.313 nan 8.290 nan 0.000 0.542 199 Q N -0.555 119.163 119.800 -0.137 0.000 2.119 199 Q HA 0.020 4.360 4.340 -0.000 0.000 0.201 199 Q C 2.605 178.448 176.000 -0.261 0.000 0.972 199 Q CA 0.792 56.528 55.803 -0.113 0.000 0.847 199 Q CB -0.114 28.636 28.738 0.020 0.000 0.903 199 Q HN 0.427 nan 8.270 nan 0.000 0.433 200 R N 0.299 120.665 120.500 -0.223 0.000 2.081 200 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 200 R C 2.090 178.289 176.300 -0.170 0.000 1.131 200 R CA 1.241 57.186 56.100 -0.259 0.000 0.960 200 R CB -0.107 30.141 30.300 -0.086 0.000 0.856 200 R HN 0.105 nan 8.270 nan 0.000 0.436 201 V N 1.268 121.114 119.914 -0.114 0.000 2.295 201 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 201 V C 2.340 178.356 176.094 -0.130 0.000 1.049 201 V CA 2.214 64.454 62.300 -0.101 0.000 1.024 201 V CB -0.620 31.184 31.823 -0.032 0.000 0.648 201 V HN 0.482 nan 8.190 nan 0.000 0.447 202 E N -0.401 119.736 120.200 -0.105 0.000 2.070 202 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 202 E C 2.112 178.652 176.600 -0.100 0.000 1.004 202 E CA 1.904 58.250 56.400 -0.090 0.000 0.805 202 E CB -0.221 29.446 29.700 -0.054 0.000 0.744 202 E HN 0.541 nan 8.360 nan 0.000 0.451 203 F N 1.079 120.841 119.950 -0.313 0.000 2.102 203 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 203 F C 1.954 177.625 175.800 -0.216 0.000 1.105 203 F CA 1.314 59.122 58.000 -0.321 0.000 1.239 203 F CB -0.252 38.380 39.000 -0.615 0.000 0.991 203 F HN 0.008 nan 8.300 nan 0.000 0.474 204 L N -0.938 120.131 121.223 -0.257 0.000 2.027 204 L HA -0.215 4.125 4.340 -0.000 0.000 0.206 204 L C 2.385 179.098 176.870 -0.262 0.000 1.074 204 L CA 1.071 55.740 54.840 -0.284 0.000 0.745 204 L CB -0.863 41.079 42.059 -0.195 0.000 0.898 204 L HN -0.021 nan 8.230 nan 0.000 0.433 205 V N 0.074 119.821 119.914 -0.280 0.000 2.295 205 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 205 V C 2.222 178.202 176.094 -0.190 0.000 1.049 205 V CA 1.877 63.988 62.300 -0.315 0.000 1.024 205 V CB -0.686 30.822 31.823 -0.524 0.000 0.648 205 V HN 0.475 nan 8.190 nan 0.000 0.447 206 N N 0.067 118.650 118.700 -0.195 0.000 2.166 206 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 206 N C 1.903 177.306 175.510 -0.178 0.000 1.019 206 N CA 1.923 54.882 53.050 -0.151 0.000 0.856 206 N CB -0.647 37.770 38.487 -0.117 0.000 0.993 206 N HN 0.464 nan 8.380 nan 0.000 0.426 207 T N 0.371 114.743 114.554 -0.304 0.000 2.777 207 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 207 T C 1.501 176.117 174.700 -0.139 0.000 1.040 207 T CA 0.618 62.528 62.100 -0.317 0.000 1.141 207 T CB -0.224 68.305 68.868 -0.565 0.000 0.868 207 T HN 0.419 nan 8.240 nan 0.000 0.444 208 W N 2.221 123.359 121.300 -0.271 0.000 2.335 208 W HA -0.121 4.539 4.660 0.000 0.000 0.311 208 W C 1.830 178.260 176.519 -0.148 0.000 1.213 208 W CA 1.265 58.493 57.345 -0.197 0.000 1.274 208 W CB -0.150 29.188 29.460 -0.203 0.000 1.148 208 W HN 0.263 nan 8.180 nan 0.000 0.498 209 K N 0.212 120.621 120.400 0.015 0.000 2.288 209 K HA -0.124 4.196 4.320 -0.000 0.000 0.201 209 K C 2.105 178.647 176.600 -0.097 0.000 1.048 209 K CA 1.543 57.805 56.287 -0.042 0.000 0.956 209 K CB -0.303 32.190 32.500 -0.013 0.000 0.746 209 K HN 0.043 nan 8.250 nan 0.000 0.461 210 S N 0.564 116.195 115.700 -0.115 0.000 2.515 210 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 210 S C 0.502 175.025 174.600 -0.130 0.000 0.987 210 S CA 0.310 58.446 58.200 -0.108 0.000 0.936 210 S CB 0.018 63.156 63.200 -0.103 0.000 0.766 210 S HN -0.028 nan 8.310 nan 0.000 0.528 211 K N 1.779 122.063 120.400 -0.194 0.000 2.143 211 K HA 0.375 4.695 4.320 -0.000 0.000 0.272 211 K C 0.546 177.030 176.600 -0.194 0.000 1.001 211 K CA -0.469 55.691 56.287 -0.212 0.000 0.915 211 K CB 1.177 33.488 32.500 -0.314 0.000 1.047 211 K HN 0.140 nan 8.250 nan 0.000 0.458 212 K N 1.121 121.436 120.400 -0.141 0.000 2.002 212 K HA -0.065 4.255 4.320 -0.000 0.000 0.209 212 K C 0.199 176.721 176.600 -0.129 0.000 1.048 212 K CA 1.163 57.385 56.287 -0.110 0.000 0.930 212 K CB 0.108 32.562 32.500 -0.077 0.000 0.714 212 K HN 0.473 nan 8.250 nan 0.000 0.438 213 N N 1.446 120.059 118.700 -0.146 0.000 2.664 213 N HA 0.217 4.957 4.740 -0.000 0.000 0.257 213 N C -2.847 172.529 175.510 -0.223 0.000 1.108 213 N CA -1.142 51.822 53.050 -0.144 0.000 0.822 213 N CB 1.815 40.256 38.487 -0.076 0.000 1.199 213 N HN 0.030 nan 8.380 nan 0.000 0.529 214 P HA 0.165 nan 4.420 nan 0.000 0.275 214 P C -0.330 176.632 177.300 -0.564 0.000 1.227 214 P CA -0.292 62.334 63.100 -0.789 0.000 0.781 214 P CB 1.252 31.847 31.700 -1.842 0.000 0.906 215 M N 2.283 121.633 119.600 -0.417 0.000 2.386 215 M HA 0.633 5.113 4.480 -0.000 0.000 0.293 215 M C -1.145 175.108 176.300 -0.079 0.000 1.120 215 M CA -0.312 54.848 55.300 -0.234 0.000 0.909 215 M CB 2.477 34.991 32.600 -0.144 0.000 1.661 215 M HN 0.554 nan 8.290 nan 0.000 0.452 216 G N 3.803 112.667 108.800 0.107 0.000 2.619 216 G HA2 0.839 4.799 3.960 -0.000 0.000 0.296 216 G HA3 0.839 4.799 3.960 -0.000 0.000 0.296 216 G C -1.980 172.996 174.900 0.127 0.000 1.334 216 G CA -0.612 44.570 45.100 0.137 0.000 0.934 216 G HN 0.785 nan 8.290 nan 0.000 0.476 217 F N -0.217 119.695 119.950 -0.064 0.000 2.628 217 F HA 0.747 5.274 4.527 -0.000 0.000 0.309 217 F C -0.189 175.594 175.800 -0.028 0.000 1.108 217 F CA -1.458 56.502 58.000 -0.067 0.000 0.971 217 F CB 1.409 40.350 39.000 -0.098 0.000 1.279 217 F HN 0.597 nan 8.300 nan 0.000 0.441 218 S N 1.819 117.594 115.700 0.125 0.000 2.554 218 S HA 0.554 5.024 4.470 -0.000 0.000 0.278 218 S C -1.400 173.389 174.600 0.315 0.000 1.242 218 S CA -0.521 57.743 58.200 0.107 0.000 1.051 218 S CB 1.325 64.562 63.200 0.061 0.000 0.986 218 S HN 0.818 nan 8.310 nan 0.000 0.502 219 Y N 1.602 122.016 120.300 0.191 0.000 2.345 219 Y HA 0.412 4.962 4.550 0.000 0.000 0.331 219 Y C -0.824 175.201 175.900 0.209 0.000 0.959 219 Y CA -0.891 57.383 58.100 0.291 0.000 1.204 219 Y CB 1.255 39.997 38.460 0.471 0.000 1.135 219 Y HN 0.849 nan 8.280 nan 0.000 0.477 220 D N 4.429 124.685 120.400 -0.239 0.000 2.396 220 D HA 0.200 4.840 4.640 -0.000 0.000 0.225 220 D C -0.673 175.484 176.300 -0.238 0.000 1.121 220 D CA -0.055 53.864 54.000 -0.136 0.000 0.853 220 D CB 0.865 41.614 40.800 -0.084 0.000 1.043 220 D HN 0.459 nan 8.370 nan 0.000 0.500 221 T N 4.035 118.619 114.554 0.049 0.000 2.851 221 T HA 0.107 4.457 4.350 -0.000 0.000 0.298 221 T C 0.480 175.274 174.700 0.156 0.000 0.977 221 T CA -0.458 61.758 62.100 0.192 0.000 1.126 221 T CB 0.700 69.900 68.868 0.552 0.000 0.916 221 T HN 0.264 nan 8.240 nan 0.000 0.529 222 R N 2.513 123.065 120.500 0.088 0.000 2.399 222 R HA 0.068 4.408 4.340 -0.000 0.000 0.324 222 R C 0.241 176.644 176.300 0.171 0.000 1.030 222 R CA -0.048 56.097 56.100 0.075 0.000 0.984 222 R CB -0.792 29.497 30.300 -0.019 0.000 0.961 222 R HN 0.977 nan 8.270 nan 0.000 0.433 223 C N 6.324 125.753 119.300 0.215 0.000 3.514 223 C HA -0.192 4.268 4.460 -0.000 0.000 0.286 223 C C 1.300 176.494 174.990 0.340 0.000 1.302 223 C CA 0.106 59.298 59.018 0.290 0.000 2.239 223 C CB -2.384 25.568 27.740 0.353 0.000 1.429 223 C HN 1.041 nan 8.230 nan 0.000 0.565 224 F N 1.733 121.799 119.950 0.193 0.000 2.091 224 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 224 F C 1.815 177.721 175.800 0.177 0.000 1.103 224 F CA 2.534 60.647 58.000 0.188 0.000 1.228 224 F CB -0.078 39.022 39.000 0.167 0.000 0.984 224 F HN 0.575 nan 8.300 nan 0.000 0.477 225 D N -0.481 120.144 120.400 0.376 0.000 2.149 225 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 225 D C 2.443 178.796 176.300 0.089 0.000 0.990 225 D CA 1.633 55.783 54.000 0.249 0.000 0.839 225 D CB -0.447 40.507 40.800 0.257 0.000 0.948 225 D HN 0.235 nan 8.370 nan 0.000 0.460 226 S N -0.655 115.113 115.700 0.112 0.000 2.453 226 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 226 S C 2.004 176.543 174.600 -0.101 0.000 1.005 226 S CA 1.333 59.496 58.200 -0.062 0.000 0.949 226 S CB -0.190 62.968 63.200 -0.070 0.000 0.774 226 S HN 0.523 nan 8.310 nan 0.000 0.510 227 T N -0.420 114.158 114.554 0.039 0.000 3.088 227 T HA 0.123 4.473 4.350 -0.000 0.000 0.259 227 T C 0.598 175.215 174.700 -0.139 0.000 1.122 227 T CA 0.044 62.155 62.100 0.020 0.000 1.095 227 T CB -0.400 68.447 68.868 -0.036 0.000 0.930 227 T HN 0.034 nan 8.240 nan 0.000 0.508 228 V N 4.056 123.854 119.914 -0.193 0.000 2.479 228 V HA 0.318 4.438 4.120 -0.000 0.000 0.281 228 V C 1.127 177.164 176.094 -0.096 0.000 1.031 228 V CA -0.289 61.922 62.300 -0.148 0.000 1.038 228 V CB 0.072 31.849 31.823 -0.077 0.000 0.981 228 V HN 0.711 nan 8.190 nan 0.000 0.478 229 T N 0.810 115.324 114.554 -0.067 0.000 2.897 229 T HA 0.310 4.660 4.350 -0.000 0.000 0.278 229 T C 1.071 175.751 174.700 -0.034 0.000 0.981 229 T CA -0.264 61.803 62.100 -0.055 0.000 0.973 229 T CB 1.483 70.326 68.868 -0.041 0.000 1.092 229 T HN 0.686 nan 8.240 nan 0.000 0.543 230 E N 0.561 120.743 120.200 -0.030 0.000 2.085 230 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 230 E C 1.950 178.550 176.600 0.001 0.000 0.994 230 E CA 1.778 58.173 56.400 -0.009 0.000 0.801 230 E CB -0.277 29.418 29.700 -0.009 0.000 0.743 230 E HN 0.764 nan 8.360 nan 0.000 0.453 231 N N 0.720 119.417 118.700 -0.006 0.000 2.036 231 N HA -0.223 4.517 4.740 -0.000 0.000 0.195 231 N C 1.467 176.990 175.510 0.022 0.000 1.037 231 N CA 2.314 55.366 53.050 0.003 0.000 0.855 231 N CB -0.204 38.274 38.487 -0.016 0.000 1.033 231 N HN 0.166 nan 8.380 nan 0.000 0.423 232 D N -0.087 120.325 120.400 0.020 0.000 2.123 232 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 232 D C 2.002 178.312 176.300 0.018 0.000 0.992 232 D CA 1.107 55.130 54.000 0.038 0.000 0.833 232 D CB -0.305 40.510 40.800 0.026 0.000 0.954 232 D HN 0.477 nan 8.370 nan 0.000 0.455 233 I N 0.466 121.047 120.570 0.017 0.000 2.353 233 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 233 I C 2.479 178.607 176.117 0.017 0.000 1.119 233 I CA 0.813 62.129 61.300 0.026 0.000 1.417 233 I CB -0.072 37.964 38.000 0.060 0.000 1.078 233 I HN -0.121 nan 8.210 nan 0.000 0.421 234 R N 0.116 120.627 120.500 0.019 0.000 2.092 234 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 234 R C 2.337 178.627 176.300 -0.017 0.000 1.119 234 R CA 1.010 57.117 56.100 0.013 0.000 0.970 234 R CB -0.377 29.933 30.300 0.017 0.000 0.864 234 R HN 0.206 nan 8.270 nan 0.000 0.440 235 V N 1.453 121.357 119.914 -0.016 0.000 2.343 235 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 235 V C 1.937 177.952 176.094 -0.132 0.000 1.051 235 V CA 1.847 64.125 62.300 -0.036 0.000 1.036 235 V CB -0.398 31.441 31.823 0.025 0.000 0.654 235 V HN 0.344 nan 8.190 nan 0.000 0.451 236 E N -0.260 119.833 120.200 -0.178 0.000 2.058 236 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 236 E C 2.329 178.526 176.600 -0.672 0.000 0.997 236 E CA 1.555 57.704 56.400 -0.417 0.000 0.801 236 E CB -0.202 29.292 29.700 -0.344 0.000 0.746 236 E HN 0.627 nan 8.360 nan 0.000 0.450 237 E N 0.572 120.586 120.200 -0.310 0.000 2.077 237 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 237 E C 2.155 178.712 176.600 -0.073 0.000 0.989 237 E CA 1.538 57.879 56.400 -0.099 0.000 0.800 237 E CB 0.001 29.749 29.700 0.079 0.000 0.746 237 E HN 0.245 nan 8.360 nan 0.000 0.452 238 S N 0.338 115.987 115.700 -0.085 0.000 2.399 238 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 238 S C 2.068 176.630 174.600 -0.064 0.000 1.022 238 S CA 1.021 59.193 58.200 -0.047 0.000 0.983 238 S CB -0.550 62.627 63.200 -0.038 0.000 0.803 238 S HN 0.300 nan 8.310 nan 0.000 0.480 239 I N 0.077 120.556 120.570 -0.151 0.000 2.202 239 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 239 I C 2.351 178.455 176.117 -0.022 0.000 1.091 239 I CA 1.332 62.552 61.300 -0.134 0.000 1.368 239 I CB -0.565 37.302 38.000 -0.221 0.000 1.058 239 I HN 0.212 nan 8.210 nan 0.000 0.410 240 Y N 1.138 121.430 120.300 -0.013 0.000 2.207 240 Y HA -0.232 4.318 4.550 0.000 0.000 0.287 240 Y C 2.639 178.540 175.900 0.003 0.000 1.156 240 Y CA 0.788 58.885 58.100 -0.006 0.000 1.182 240 Y CB -0.987 37.482 38.460 0.015 0.000 0.979 240 Y HN 0.267 nan 8.280 nan 0.000 0.521 241 Q N -1.441 118.452 119.800 0.155 0.000 2.436 241 Q HA -0.086 4.254 4.340 -0.000 0.000 0.209 241 Q C 2.277 178.311 176.000 0.056 0.000 0.965 241 Q CA 0.722 56.581 55.803 0.093 0.000 0.910 241 Q CB -0.644 28.134 28.738 0.067 0.000 0.980 241 Q HN 0.511 nan 8.270 nan 0.000 0.491 242 C N 0.198 119.525 119.300 0.045 0.000 2.446 242 C HA -0.025 4.435 4.460 -0.000 0.000 0.279 242 C C 1.587 176.593 174.990 0.027 0.000 1.366 242 C CA -0.681 58.351 59.018 0.024 0.000 1.763 242 C CB -0.634 27.110 27.740 0.007 0.000 1.929 242 C HN 0.410 nan 8.230 nan 0.000 0.509 243 C N 2.073 121.398 119.300 0.042 0.000 2.702 243 C HA 0.066 4.526 4.460 -0.000 0.000 0.411 243 C C 0.593 175.600 174.990 0.028 0.000 1.286 243 C CA -0.103 58.934 59.018 0.032 0.000 1.979 243 C CB -0.432 27.333 27.740 0.040 0.000 2.728 243 C HN 0.509 nan 8.230 nan 0.000 0.652 244 D N 2.142 122.553 120.400 0.019 0.000 2.348 244 D HA 0.395 5.035 4.640 -0.000 0.000 0.259 244 D C -0.523 175.792 176.300 0.025 0.000 1.296 244 D CA 0.467 54.478 54.000 0.020 0.000 0.931 244 D CB -0.105 40.703 40.800 0.013 0.000 1.067 244 D HN 0.368 nan 8.370 nan 0.000 0.503 245 L N 2.099 123.342 121.223 0.032 0.000 2.354 245 L HA 0.664 5.004 4.340 -0.000 0.000 0.264 245 L C 0.326 177.222 176.870 0.043 0.000 1.008 245 L CA -1.537 53.328 54.840 0.041 0.000 0.819 245 L CB 1.866 43.956 42.059 0.051 0.000 1.339 245 L HN 0.302 nan 8.230 nan 0.000 0.420 246 A N 2.126 124.977 122.820 0.052 0.000 2.462 246 A HA 0.344 4.664 4.320 -0.000 0.000 0.243 246 A C -1.762 175.858 177.584 0.060 0.000 1.076 246 A CA -0.918 51.153 52.037 0.056 0.000 0.773 246 A CB -0.072 18.969 19.000 0.068 0.000 1.010 246 A HN 0.624 nan 8.150 nan 0.000 0.493 247 P HA -0.229 nan 4.420 nan 0.000 0.217 247 P C 1.334 178.664 177.300 0.049 0.000 1.151 247 P CA 1.801 64.925 63.100 0.041 0.000 0.849 247 P CB 0.209 31.928 31.700 0.033 0.000 0.787 248 E N -0.572 119.677 120.200 0.081 0.000 2.085 248 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 248 E C 1.950 178.632 176.600 0.138 0.000 0.994 248 E CA 1.301 57.775 56.400 0.123 0.000 0.801 248 E CB -0.504 29.325 29.700 0.214 0.000 0.743 248 E HN 0.091 nan 8.360 nan 0.000 0.453 249 A N 1.273 124.188 122.820 0.160 0.000 1.902 249 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 249 A C 2.140 179.771 177.584 0.080 0.000 1.181 249 A CA 1.456 53.589 52.037 0.160 0.000 0.623 249 A CB -0.464 18.619 19.000 0.138 0.000 0.818 249 A HN 0.189 nan 8.150 nan 0.000 0.443 250 R N -1.088 119.446 120.500 0.057 0.000 2.091 250 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 250 R C 2.479 178.782 176.300 0.004 0.000 1.136 250 R CA 1.714 57.837 56.100 0.038 0.000 0.959 250 R CB -0.302 30.018 30.300 0.034 0.000 0.856 250 R HN 0.646 nan 8.270 nan 0.000 0.437 251 Q N 0.708 120.492 119.800 -0.027 0.000 2.079 251 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 251 Q C 1.975 177.886 176.000 -0.149 0.000 0.974 251 Q CA 1.959 57.713 55.803 -0.081 0.000 0.840 251 Q CB -0.215 28.465 28.738 -0.097 0.000 0.898 251 Q HN 0.337 nan 8.270 nan 0.000 0.430 252 A N 0.100 122.791 122.820 -0.216 0.000 1.902 252 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 252 A C 2.123 179.617 177.584 -0.151 0.000 1.181 252 A CA 1.513 53.343 52.037 -0.345 0.000 0.623 252 A CB -0.743 17.922 19.000 -0.557 0.000 0.818 252 A HN 0.478 nan 8.150 nan 0.000 0.443 253 I N -0.564 119.989 120.570 -0.028 0.000 2.226 253 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 253 I C 2.534 178.687 176.117 0.060 0.000 1.100 253 I CA 1.832 63.172 61.300 0.066 0.000 1.374 253 I CB -0.218 37.852 38.000 0.116 0.000 1.057 253 I HN 0.372 nan 8.210 nan 0.000 0.413 254 K N 0.451 120.862 120.400 0.019 0.000 2.057 254 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 254 K C 2.373 178.952 176.600 -0.035 0.000 1.049 254 K CA 1.861 58.154 56.287 0.009 0.000 0.931 254 K CB -0.119 32.377 32.500 -0.007 0.000 0.714 254 K HN 0.124 nan 8.250 nan 0.000 0.440 255 S N 0.623 116.270 115.700 -0.089 0.000 2.356 255 S HA -0.085 4.385 4.470 -0.000 0.000 0.223 255 S C 1.945 176.449 174.600 -0.160 0.000 1.032 255 S CA 1.137 59.261 58.200 -0.127 0.000 1.005 255 S CB -0.249 62.844 63.200 -0.180 0.000 0.867 255 S HN 0.340 nan 8.310 nan 0.000 0.449 256 L N 0.745 121.845 121.223 -0.206 0.000 2.083 256 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 256 L C 2.751 179.324 176.870 -0.495 0.000 1.083 256 L CA 1.547 56.144 54.840 -0.406 0.000 0.752 256 L CB -0.973 40.820 42.059 -0.443 0.000 0.899 256 L HN 0.340 nan 8.230 nan 0.000 0.433 257 T N -0.964 113.508 114.554 -0.136 0.000 2.674 257 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 257 T C 1.781 176.487 174.700 0.011 0.000 1.039 257 T CA 1.241 63.392 62.100 0.085 0.000 1.150 257 T CB -0.119 68.864 68.868 0.192 0.000 0.864 257 T HN 0.315 nan 8.240 nan 0.000 0.427 258 E N 1.003 121.190 120.200 -0.022 0.000 2.106 258 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 258 E C 2.343 178.921 176.600 -0.036 0.000 0.984 258 E CA 0.945 57.335 56.400 -0.018 0.000 0.806 258 E CB -0.102 29.585 29.700 -0.022 0.000 0.750 258 E HN 0.462 nan 8.360 nan 0.000 0.458 259 R N -0.618 119.831 120.500 -0.086 0.000 2.206 259 R HA 0.117 4.457 4.340 -0.000 0.000 0.198 259 R C 1.865 178.100 176.300 -0.108 0.000 0.986 259 R CA 0.221 56.270 56.100 -0.085 0.000 1.029 259 R CB 0.290 30.530 30.300 -0.099 0.000 0.966 259 R HN 0.036 nan 8.270 nan 0.000 0.487 260 L N -2.046 119.069 121.223 -0.180 0.000 2.691 260 L HA 0.198 4.538 4.340 -0.000 0.000 0.185 260 L C 1.273 178.119 176.870 -0.041 0.000 1.081 260 L CA 0.797 55.531 54.840 -0.177 0.000 0.865 260 L CB -0.207 41.660 42.059 -0.320 0.000 1.370 260 L HN -0.124 nan 8.230 nan 0.000 0.488 261 Y N 0.385 120.698 120.300 0.021 0.000 2.200 261 Y HA -0.027 4.523 4.550 -0.000 0.000 0.290 261 Y C 2.511 178.415 175.900 0.008 0.000 1.137 261 Y CA 1.401 59.521 58.100 0.033 0.000 1.163 261 Y CB -0.880 37.622 38.460 0.071 0.000 0.988 261 Y HN 0.125 nan 8.280 nan 0.000 0.518 262 I N -0.972 119.682 120.570 0.139 0.000 2.394 262 I HA -0.034 4.136 4.170 -0.000 0.000 0.251 262 I C 1.245 177.369 176.117 0.012 0.000 1.136 262 I CA 1.326 62.666 61.300 0.067 0.000 1.425 262 I CB -0.370 37.661 38.000 0.052 0.000 1.079 262 I HN 0.290 nan 8.210 nan 0.000 0.425 263 G N -1.030 107.757 108.800 -0.021 0.000 2.324 263 G HA2 0.487 4.447 3.960 -0.000 0.000 0.293 263 G HA3 0.487 4.447 3.960 -0.000 0.000 0.293 263 G C -1.044 173.700 174.900 -0.259 0.000 1.297 263 G CA -0.170 44.848 45.100 -0.137 0.000 0.853 263 G HN 0.412 nan 8.290 nan 0.000 0.535 264 G N -0.971 107.411 108.800 -0.697 0.000 2.316 264 G HA2 0.705 4.665 3.960 -0.000 0.000 0.296 264 G HA3 0.705 4.665 3.960 -0.000 0.000 0.296 264 G C -3.461 170.812 174.900 -1.044 0.000 1.399 264 G CA 0.018 44.659 45.100 -0.765 0.000 0.833 264 G HN 0.752 nan 8.290 nan 0.000 0.565 265 P HA 0.408 nan 4.420 nan 0.000 0.271 265 P C -0.489 176.719 177.300 -0.154 0.000 1.218 265 P CA -0.081 62.897 63.100 -0.203 0.000 0.780 265 P CB 1.112 32.820 31.700 0.014 0.000 0.901 266 L N 2.586 123.766 121.223 -0.070 0.000 2.296 266 L HA 0.442 4.782 4.340 -0.000 0.000 0.286 266 L C 0.472 177.351 176.870 0.014 0.000 1.023 266 L CA -0.193 54.634 54.840 -0.021 0.000 0.812 266 L CB 1.538 43.628 42.059 0.050 0.000 1.223 266 L HN 0.277 nan 8.230 nan 0.000 0.421 267 T N 1.522 116.062 114.554 -0.024 0.000 2.824 267 T HA 0.316 4.666 4.350 -0.000 0.000 0.282 267 T C -0.174 174.507 174.700 -0.031 0.000 0.993 267 T CA -0.865 61.222 62.100 -0.021 0.000 0.967 267 T CB 1.415 70.254 68.868 -0.048 0.000 0.960 267 T HN 0.637 nan 8.240 nan 0.000 0.441 268 N N 0.949 119.648 118.700 -0.001 0.000 2.327 268 N HA 0.090 4.830 4.740 -0.000 0.000 0.257 268 N C 1.440 176.941 175.510 -0.016 0.000 1.281 268 N CA -0.255 52.794 53.050 -0.002 0.000 0.942 268 N CB 0.119 38.614 38.487 0.014 0.000 1.199 268 N HN 0.457 nan 8.380 nan 0.000 0.532 269 S N -1.328 114.372 115.700 0.000 0.000 2.474 269 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 269 S C 0.997 175.595 174.600 -0.004 0.000 0.997 269 S CA 0.657 58.861 58.200 0.005 0.000 0.949 269 S CB -0.413 62.803 63.200 0.028 0.000 0.766 269 S HN 0.630 nan 8.310 nan 0.000 0.517 270 K N 0.470 120.868 120.400 -0.004 0.000 2.393 270 K HA 0.286 4.606 4.320 -0.000 0.000 0.193 270 K C 1.186 177.778 176.600 -0.013 0.000 1.026 270 K CA 0.392 56.675 56.287 -0.006 0.000 1.064 270 K CB 0.084 32.584 32.500 -0.000 0.000 0.833 270 K HN 0.526 nan 8.250 nan 0.000 0.521 271 G N 1.828 110.617 108.800 -0.018 0.000 2.141 271 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.231 271 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.231 271 G C -0.318 174.577 174.900 -0.008 0.000 0.984 271 G CA -0.255 44.831 45.100 -0.023 0.000 0.660 271 G HN 0.310 nan 8.290 nan 0.000 0.525 272 Q N -0.056 119.746 119.800 0.003 0.000 2.235 272 Q HA 0.445 4.785 4.340 -0.000 0.000 0.250 272 Q C 0.118 176.136 176.000 0.030 0.000 0.909 272 Q CA -0.792 55.021 55.803 0.017 0.000 0.910 272 Q CB 0.983 29.733 28.738 0.020 0.000 1.223 272 Q HN 0.222 nan 8.270 nan 0.000 0.432 273 N N 0.976 119.700 118.700 0.040 0.000 2.431 273 N HA 0.003 4.743 4.740 -0.000 0.000 0.265 273 N C -0.426 175.139 175.510 0.093 0.000 1.184 273 N CA 0.055 53.141 53.050 0.060 0.000 0.943 273 N CB 0.480 39.003 38.487 0.060 0.000 1.080 273 N HN 0.590 nan 8.380 nan 0.000 0.477 274 C N 2.126 121.501 119.300 0.125 0.000 2.674 274 C HA 0.570 5.030 4.460 -0.000 0.000 0.276 274 C C 1.292 176.468 174.990 0.309 0.000 1.300 274 C CA 0.588 59.737 59.018 0.219 0.000 1.732 274 C CB -1.290 26.601 27.740 0.251 0.000 2.076 274 C HN 0.926 nan 8.230 nan 0.000 0.548 275 G N -1.195 107.710 108.800 0.176 0.000 2.366 275 G HA2 0.215 4.175 3.960 -0.000 0.000 0.190 275 G HA3 0.215 4.175 3.960 -0.000 0.000 0.190 275 G C -1.972 172.970 174.900 0.070 0.000 1.299 275 G CA -0.379 44.780 45.100 0.097 0.000 1.056 275 G HN 0.049 nan 8.290 nan 0.000 0.468 276 Y N 0.768 120.947 120.300 -0.202 0.000 2.504 276 Y HA 0.752 5.302 4.550 -0.000 0.000 0.344 276 Y C -0.044 175.723 175.900 -0.223 0.000 1.023 276 Y CA -0.813 57.188 58.100 -0.164 0.000 1.020 276 Y CB 2.001 40.379 38.460 -0.136 0.000 1.282 276 Y HN 0.702 nan 8.280 nan 0.000 0.454 277 R N 4.637 124.893 120.500 -0.407 0.000 2.460 277 R HA 0.554 4.894 4.340 -0.000 0.000 0.303 277 R C -0.745 175.365 176.300 -0.317 0.000 0.968 277 R CA -0.582 55.284 56.100 -0.390 0.000 0.889 277 R CB 0.958 31.094 30.300 -0.273 0.000 1.123 277 R HN 0.925 nan 8.270 nan 0.000 0.455 278 R N 3.105 123.402 120.500 -0.339 0.000 2.659 278 R HA 0.211 4.551 4.340 -0.000 0.000 0.418 278 R C -0.481 175.674 176.300 -0.242 0.000 1.076 278 R CA -0.306 55.682 56.100 -0.187 0.000 1.093 278 R CB 0.440 30.675 30.300 -0.107 0.000 1.400 278 R HN 0.782 nan 8.270 nan 0.000 0.583 279 C N -1.927 117.181 119.300 -0.320 0.000 3.301 279 C HA 0.616 5.076 4.460 -0.000 0.000 0.367 279 C C -0.277 174.639 174.990 -0.124 0.000 1.980 279 C CA -1.476 57.395 59.018 -0.244 0.000 1.349 279 C CB 1.128 28.652 27.740 -0.359 0.000 2.412 279 C HN 0.296 nan 8.230 nan 0.000 0.451 280 R N 1.199 121.675 120.500 -0.041 0.000 2.484 280 R HA 0.503 4.843 4.340 -0.000 0.000 0.293 280 R C 0.061 176.413 176.300 0.086 0.000 1.023 280 R CA 0.839 56.971 56.100 0.053 0.000 1.037 280 R CB -0.074 30.297 30.300 0.118 0.000 0.951 280 R HN 1.133 nan 8.270 nan 0.000 0.418 281 A N 3.520 126.405 122.820 0.109 0.000 2.366 281 A HA 0.233 4.553 4.320 -0.000 0.000 0.272 281 A C 1.096 178.779 177.584 0.164 0.000 1.135 281 A CA 0.101 52.226 52.037 0.147 0.000 0.804 281 A CB 0.498 19.590 19.000 0.154 0.000 1.064 281 A HN 1.029 nan 8.150 nan 0.000 0.499 282 S N 2.292 118.102 115.700 0.185 0.000 2.428 282 S HA 0.016 4.486 4.470 -0.000 0.000 0.230 282 S C 1.170 175.867 174.600 0.162 0.000 1.014 282 S CA 0.997 59.300 58.200 0.172 0.000 0.957 282 S CB -0.138 63.169 63.200 0.179 0.000 0.784 282 S HN 1.283 nan 8.310 nan 0.000 0.499 283 G N 2.064 110.985 108.800 0.202 0.000 4.294 283 G HA2 0.523 4.483 3.960 -0.000 0.000 0.301 283 G HA3 0.523 4.483 3.960 -0.000 0.000 0.301 283 G C -0.158 174.873 174.900 0.218 0.000 1.321 283 G CA -0.043 45.183 45.100 0.209 0.000 1.190 283 G HN 0.667 nan 8.290 nan 0.000 0.600 284 V N -2.451 117.575 119.914 0.185 0.000 3.046 284 V HA 0.575 4.695 4.120 -0.000 0.000 0.316 284 V C 1.279 177.455 176.094 0.136 0.000 1.104 284 V CA -0.979 61.448 62.300 0.211 0.000 1.006 284 V CB 1.744 33.764 31.823 0.329 0.000 1.058 284 V HN 0.072 nan 8.190 nan 0.000 0.440 285 L N 2.402 123.720 121.223 0.158 0.000 2.131 285 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 285 L C 2.327 179.206 176.870 0.016 0.000 1.092 285 L CA 3.041 57.953 54.840 0.119 0.000 0.759 285 L CB -0.631 41.529 42.059 0.169 0.000 0.903 285 L HN 1.098 nan 8.230 nan 0.000 0.435 286 T N -6.030 108.451 114.554 -0.121 0.000 3.129 286 T HA -0.004 4.346 4.350 -0.000 0.000 0.251 286 T C 1.573 176.210 174.700 -0.106 0.000 1.117 286 T CA 0.739 62.718 62.100 -0.203 0.000 1.034 286 T CB -0.678 67.894 68.868 -0.493 0.000 0.968 286 T HN 0.266 nan 8.240 nan 0.000 0.526 287 T N 1.929 116.454 114.554 -0.048 0.000 2.652 287 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 287 T C 2.205 176.927 174.700 0.037 0.000 1.039 287 T CA 1.761 63.874 62.100 0.021 0.000 1.153 287 T CB -0.651 68.255 68.868 0.063 0.000 0.863 287 T HN 0.530 nan 8.240 nan 0.000 0.428 288 S N -0.287 115.411 115.700 -0.002 0.000 2.345 288 S HA -0.143 4.327 4.470 -0.000 0.000 0.220 288 S C 2.448 177.072 174.600 0.040 0.000 1.031 288 S CA 1.357 59.548 58.200 -0.015 0.000 0.996 288 S CB -0.923 62.166 63.200 -0.186 0.000 0.882 288 S HN 0.670 nan 8.310 nan 0.000 0.445 289 C N 1.289 120.587 119.300 -0.003 0.000 2.432 289 C HA 0.096 4.556 4.460 -0.000 0.000 0.277 289 C C 2.833 177.875 174.990 0.087 0.000 1.249 289 C CA 1.130 60.167 59.018 0.032 0.000 1.725 289 C CB -1.793 25.940 27.740 -0.012 0.000 2.028 289 C HN 0.706 nan 8.230 nan 0.000 0.477 290 G N 0.577 109.436 108.800 0.097 0.000 2.446 290 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 290 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 290 G C 1.526 176.506 174.900 0.133 0.000 1.168 290 G CA 1.147 46.303 45.100 0.093 0.000 0.771 290 G HN 0.598 nan 8.290 nan 0.000 0.551 291 N N 0.583 119.377 118.700 0.157 0.000 2.120 291 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 291 N C 2.671 178.240 175.510 0.099 0.000 1.024 291 N CA 1.960 55.129 53.050 0.199 0.000 0.852 291 N CB -0.845 37.697 38.487 0.091 0.000 1.003 291 N HN 0.505 nan 8.380 nan 0.000 0.424 292 T N -0.274 114.342 114.554 0.103 0.000 2.652 292 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 292 T C 2.209 176.994 174.700 0.142 0.000 1.039 292 T CA 0.920 63.096 62.100 0.128 0.000 1.153 292 T CB -0.757 68.256 68.868 0.241 0.000 0.863 292 T HN 0.092 nan 8.240 nan 0.000 0.428 293 L N 0.921 122.205 121.223 0.101 0.000 2.017 293 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 293 L C 3.257 180.215 176.870 0.148 0.000 1.073 293 L CA 1.841 56.726 54.840 0.075 0.000 0.745 293 L CB -1.188 40.863 42.059 -0.013 0.000 0.894 293 L HN 0.355 nan 8.230 nan 0.000 0.432 294 T N -1.393 113.266 114.554 0.176 0.000 2.746 294 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 294 T C 2.010 176.899 174.700 0.316 0.000 1.039 294 T CA 1.501 63.739 62.100 0.231 0.000 1.142 294 T CB -0.502 68.541 68.868 0.292 0.000 0.866 294 T HN 0.459 nan 8.240 nan 0.000 0.444 295 C N 0.586 120.120 119.300 0.391 0.000 2.429 295 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 295 C C 2.400 177.530 174.990 0.233 0.000 1.262 295 C CA 0.464 59.689 59.018 0.345 0.000 1.733 295 C CB -1.404 26.406 27.740 0.116 0.000 2.010 295 C HN 0.650 nan 8.230 nan 0.000 0.483 296 Y N 0.988 121.340 120.300 0.087 0.000 2.145 296 Y HA -0.136 4.414 4.550 0.000 0.000 0.286 296 Y C 2.175 178.083 175.900 0.014 0.000 1.145 296 Y CA 2.129 60.259 58.100 0.049 0.000 1.148 296 Y CB -0.565 37.911 38.460 0.027 0.000 0.981 296 Y HN 0.334 nan 8.280 nan 0.000 0.507 297 L N 1.061 122.336 121.223 0.086 0.000 1.994 297 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 297 L C 2.134 178.883 176.870 -0.201 0.000 1.071 297 L CA 2.036 56.806 54.840 -0.116 0.000 0.745 297 L CB -0.900 41.066 42.059 -0.154 0.000 0.892 297 L HN 0.150 nan 8.230 nan 0.000 0.431 298 K N -0.496 119.859 120.400 -0.075 0.000 2.057 298 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 298 K C 2.083 178.674 176.600 -0.016 0.000 1.049 298 K CA 1.369 57.614 56.287 -0.069 0.000 0.931 298 K CB -0.431 32.136 32.500 0.113 0.000 0.714 298 K HN 0.497 nan 8.250 nan 0.000 0.440 299 A N 1.071 123.888 122.820 -0.006 0.000 1.898 299 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 299 A C 2.236 179.829 177.584 0.016 0.000 1.181 299 A CA 1.737 53.798 52.037 0.040 0.000 0.620 299 A CB -0.532 18.554 19.000 0.144 0.000 0.819 299 A HN 0.162 nan 8.150 nan 0.000 0.442 300 S N -0.026 115.563 115.700 -0.185 0.000 2.359 300 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 300 S C 2.325 176.860 174.600 -0.108 0.000 1.035 300 S CA 1.327 59.385 58.200 -0.237 0.000 1.018 300 S CB -0.506 62.397 63.200 -0.495 0.000 0.876 300 S HN 0.803 nan 8.310 nan 0.000 0.448 301 A N 1.470 124.235 122.820 -0.091 0.000 1.902 301 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 301 A C 2.348 179.978 177.584 0.077 0.000 1.181 301 A CA 1.719 53.767 52.037 0.017 0.000 0.623 301 A CB -1.057 17.954 19.000 0.018 0.000 0.818 301 A HN 0.521 nan 8.150 nan 0.000 0.443 302 A N -1.065 121.815 122.820 0.101 0.000 1.933 302 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 302 A C 2.269 179.896 177.584 0.072 0.000 1.175 302 A CA 1.606 53.594 52.037 -0.082 0.000 0.628 302 A CB -1.249 17.363 19.000 -0.647 0.000 0.814 302 A HN 0.596 nan 8.150 nan 0.000 0.444 303 C N -0.839 118.594 119.300 0.222 0.000 2.425 303 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 303 C C 2.892 177.901 174.990 0.031 0.000 1.280 303 C CA 1.137 60.294 59.018 0.233 0.000 1.744 303 C CB -1.300 26.528 27.740 0.148 0.000 1.989 303 C HN 0.604 nan 8.230 nan 0.000 0.491 304 R N 1.045 121.471 120.500 -0.123 0.000 2.066 304 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 304 R C 2.460 178.507 176.300 -0.421 0.000 1.131 304 R CA 1.524 57.425 56.100 -0.332 0.000 0.955 304 R CB -0.592 29.367 30.300 -0.568 0.000 0.851 304 R HN 0.522 nan 8.270 nan 0.000 0.432 305 A N 1.495 124.076 122.820 -0.398 0.000 1.908 305 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 305 A C 2.267 179.836 177.584 -0.026 0.000 1.181 305 A CA 1.847 53.806 52.037 -0.129 0.000 0.627 305 A CB -0.556 18.429 19.000 -0.025 0.000 0.818 305 A HN 0.407 nan 8.150 nan 0.000 0.445 306 A N -1.490 121.336 122.820 0.010 0.000 2.238 306 A HA 0.223 4.543 4.320 -0.000 0.000 0.208 306 A C 1.045 178.650 177.584 0.035 0.000 1.177 306 A CA 0.873 52.944 52.037 0.056 0.000 0.804 306 A CB -0.450 18.643 19.000 0.155 0.000 0.823 306 A HN 0.516 nan 8.150 nan 0.000 0.482 307 K N -1.575 118.831 120.400 0.010 0.000 3.069 307 K HA -0.172 4.148 4.320 -0.000 0.000 0.267 307 K C -0.887 175.723 176.600 0.016 0.000 1.082 307 K CA 0.243 56.536 56.287 0.009 0.000 0.782 307 K CB -1.844 30.667 32.500 0.018 0.000 1.230 307 K HN 0.343 nan 8.250 nan 0.000 0.488 308 L N 1.964 123.204 121.223 0.028 0.000 2.499 308 L HA -0.028 4.312 4.340 -0.000 0.000 0.273 308 L C 0.978 177.855 176.870 0.010 0.000 1.195 308 L CA 1.109 55.966 54.840 0.029 0.000 0.882 308 L CB 0.500 42.592 42.059 0.055 0.000 1.133 308 L HN 0.076 nan 8.230 nan 0.000 0.483 309 Q N 2.888 122.689 119.800 0.001 0.000 2.256 309 Q HA 0.102 4.442 4.340 -0.000 0.000 0.254 309 Q C -0.111 175.875 176.000 -0.023 0.000 0.916 309 Q CA -0.466 55.331 55.803 -0.010 0.000 0.932 309 Q CB 0.918 29.648 28.738 -0.013 0.000 1.207 309 Q HN 0.508 nan 8.270 nan 0.000 0.426 310 D N 1.098 121.485 120.400 -0.022 0.000 2.735 310 D HA -0.177 4.463 4.640 -0.000 0.000 0.235 310 D C -1.078 175.199 176.300 -0.038 0.000 1.175 310 D CA 0.253 54.234 54.000 -0.030 0.000 0.683 310 D CB -0.920 39.853 40.800 -0.045 0.000 1.008 310 D HN 0.519 nan 8.370 nan 0.000 0.416 311 C N 0.985 120.271 119.300 -0.024 0.000 2.637 311 C HA 0.513 4.973 4.460 -0.000 0.000 0.418 311 C C 0.824 175.802 174.990 -0.021 0.000 1.319 311 C CA 0.072 59.072 59.018 -0.030 0.000 1.949 311 C CB 0.457 28.189 27.740 -0.014 0.000 2.639 311 C HN 0.474 nan 8.230 nan 0.000 0.594 312 T N 6.157 120.686 114.554 -0.041 0.000 2.879 312 T HA 0.483 4.833 4.350 -0.000 0.000 0.290 312 T C -0.454 174.246 174.700 -0.000 0.000 0.993 312 T CA -0.297 61.804 62.100 0.003 0.000 0.975 312 T CB 1.009 69.850 68.868 -0.044 0.000 0.981 312 T HN 0.546 nan 8.240 nan 0.000 0.439 313 M N 3.058 122.708 119.600 0.084 0.000 2.578 313 M HA 0.665 5.145 4.480 -0.000 0.000 0.321 313 M C -1.251 175.167 176.300 0.196 0.000 1.182 313 M CA -1.160 54.185 55.300 0.074 0.000 0.965 313 M CB 1.996 34.633 32.600 0.061 0.000 1.694 313 M HN 0.337 nan 8.290 nan 0.000 0.461 314 L N 2.583 123.886 121.223 0.133 0.000 2.406 314 L HA 0.674 5.014 4.340 -0.000 0.000 0.272 314 L C -1.528 175.362 176.870 0.034 0.000 0.980 314 L CA -0.478 54.448 54.840 0.143 0.000 0.831 314 L CB 1.886 44.058 42.059 0.188 0.000 1.253 314 L HN 0.498 nan 8.230 nan 0.000 0.406 315 V N 4.171 124.084 119.914 -0.001 0.000 2.531 315 V HA 0.591 4.711 4.120 -0.000 0.000 0.301 315 V C -0.822 175.119 176.094 -0.256 0.000 1.034 315 V CA -0.642 61.633 62.300 -0.043 0.000 0.865 315 V CB 1.896 33.782 31.823 0.107 0.000 0.995 315 V HN 0.797 nan 8.190 nan 0.000 0.424 316 N N 3.599 122.095 118.700 -0.339 0.000 2.573 316 N HA 0.640 5.380 4.740 -0.000 0.000 0.262 316 N C 0.596 175.988 175.510 -0.197 0.000 1.029 316 N CA 0.495 53.158 53.050 -0.645 0.000 0.882 316 N CB 1.806 39.732 38.487 -0.936 0.000 1.204 316 N HN 1.061 nan 8.380 nan 0.000 0.519 317 G N 2.526 111.345 108.800 0.032 0.000 2.629 317 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.313 317 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.313 317 G C 0.585 175.325 174.900 -0.267 0.000 1.217 317 G CA 0.793 45.891 45.100 -0.004 0.000 0.994 317 G HN 0.645 nan 8.290 nan 0.000 0.549 318 D N 1.227 121.381 120.400 -0.411 0.000 2.349 318 D HA 0.065 4.705 4.640 -0.000 0.000 0.224 318 D C 0.453 176.616 176.300 -0.228 0.000 1.029 318 D CA 0.898 54.481 54.000 -0.695 0.000 0.879 318 D CB -0.144 40.282 40.800 -0.623 0.000 0.906 318 D HN 0.393 nan 8.370 nan 0.000 0.528 319 D N 0.706 121.031 120.400 -0.125 0.000 2.316 319 D HA 0.267 4.907 4.640 -0.000 0.000 0.245 319 D C -0.972 175.312 176.300 -0.025 0.000 1.171 319 D CA -0.513 53.462 54.000 -0.043 0.000 0.856 319 D CB 0.947 41.718 40.800 -0.048 0.000 1.090 319 D HN 0.061 nan 8.370 nan 0.000 0.476 320 L N 5.023 126.276 121.223 0.050 0.000 2.385 320 L HA 0.548 4.888 4.340 -0.000 0.000 0.273 320 L C -1.666 175.217 176.870 0.021 0.000 0.990 320 L CA -0.685 54.195 54.840 0.068 0.000 0.821 320 L CB 1.946 44.115 42.059 0.184 0.000 1.279 320 L HN 0.133 nan 8.230 nan 0.000 0.412 321 V N 5.854 125.731 119.914 -0.061 0.000 2.709 321 V HA 0.771 4.891 4.120 -0.000 0.000 0.308 321 V C -1.428 174.493 176.094 -0.287 0.000 1.062 321 V CA -0.367 61.828 62.300 -0.176 0.000 0.901 321 V CB 2.435 34.191 31.823 -0.112 0.000 1.003 321 V HN 0.584 nan 8.190 nan 0.000 0.425 322 V N 7.598 127.145 119.914 -0.612 0.000 2.540 322 V HA 0.598 4.718 4.120 -0.000 0.000 0.302 322 V C -0.379 175.429 176.094 -0.476 0.000 1.035 322 V CA -0.470 61.450 62.300 -0.633 0.000 0.873 322 V CB 1.786 32.974 31.823 -1.059 0.000 0.992 322 V HN 0.744 nan 8.190 nan 0.000 0.428 323 I N 4.907 125.336 120.570 -0.235 0.000 2.436 323 I HA 0.714 4.884 4.170 -0.000 0.000 0.289 323 I C -0.044 175.992 176.117 -0.136 0.000 1.010 323 I CA -0.317 60.907 61.300 -0.126 0.000 1.098 323 I CB 1.705 39.685 38.000 -0.034 0.000 1.266 323 I HN 0.905 nan 8.210 nan 0.000 0.434 324 C N 2.242 121.463 119.300 -0.131 0.000 3.335 324 C HA 0.668 5.128 4.460 -0.000 0.000 0.356 324 C C -0.408 174.501 174.990 -0.135 0.000 1.570 324 C CA -0.872 58.082 59.018 -0.106 0.000 1.271 324 C CB 1.411 29.125 27.740 -0.043 0.000 1.873 324 C HN 0.713 nan 8.230 nan 0.000 0.439 325 E N 1.385 121.528 120.200 -0.095 0.000 2.223 325 E HA 0.447 4.797 4.350 -0.000 0.000 0.282 325 E C 0.067 176.639 176.600 -0.048 0.000 1.046 325 E CA 0.482 56.827 56.400 -0.091 0.000 0.857 325 E CB 1.073 30.732 29.700 -0.068 0.000 1.055 325 E HN 0.788 nan 8.360 nan 0.000 0.409 326 S N 3.027 118.705 115.700 -0.036 0.000 2.549 326 S HA 0.381 4.851 4.470 -0.000 0.000 0.279 326 S C 0.449 175.061 174.600 0.019 0.000 1.321 326 S CA 0.162 58.385 58.200 0.038 0.000 1.054 326 S CB 0.700 63.975 63.200 0.126 0.000 0.899 326 S HN 0.580 nan 8.310 nan 0.000 0.497 327 A N 3.603 126.442 122.820 0.032 0.000 2.465 327 A HA 0.650 4.970 4.320 -0.000 0.000 0.255 327 A C 0.944 178.536 177.584 0.012 0.000 1.274 327 A CA 0.273 52.318 52.037 0.013 0.000 0.920 327 A CB -0.861 18.146 19.000 0.011 0.000 1.033 327 A HN 1.831 nan 8.150 nan 0.000 0.516 328 G N -1.957 106.856 108.800 0.022 0.000 2.515 328 G HA2 0.020 3.980 3.960 -0.000 0.000 0.686 328 G HA3 0.020 3.980 3.960 -0.000 0.000 0.686 328 G C 0.358 175.273 174.900 0.025 0.000 1.274 328 G CA -0.182 44.916 45.100 -0.005 0.000 0.874 328 G HN 0.351 nan 8.290 nan 0.000 0.631 329 T N 0.452 114.994 114.554 -0.021 0.000 2.652 329 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 329 T C 2.381 177.112 174.700 0.051 0.000 1.039 329 T CA 2.382 64.492 62.100 0.018 0.000 1.153 329 T CB -0.297 68.543 68.868 -0.047 0.000 0.863 329 T HN 0.612 nan 8.240 nan 0.000 0.428 330 Q N 0.496 120.307 119.800 0.020 0.000 2.079 330 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 330 Q C 2.489 178.501 176.000 0.020 0.000 0.974 330 Q CA 1.288 57.101 55.803 0.018 0.000 0.840 330 Q CB -0.164 28.578 28.738 0.006 0.000 0.898 330 Q HN 0.536 nan 8.270 nan 0.000 0.430 331 E N 0.847 121.058 120.200 0.020 0.000 2.077 331 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 331 E C 1.555 178.167 176.600 0.021 0.000 0.989 331 E CA 1.304 57.715 56.400 0.017 0.000 0.800 331 E CB -0.052 29.656 29.700 0.014 0.000 0.746 331 E HN 0.279 nan 8.360 nan 0.000 0.452 332 D N 0.084 120.511 120.400 0.045 0.000 2.117 332 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 332 D C 1.864 178.161 176.300 -0.005 0.000 0.987 332 D CA 1.457 55.481 54.000 0.040 0.000 0.829 332 D CB -0.411 40.465 40.800 0.125 0.000 0.961 332 D HN 0.203 nan 8.370 nan 0.000 0.460 333 A N 1.048 123.879 122.820 0.018 0.000 1.908 333 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 333 A C 2.309 179.881 177.584 -0.021 0.000 1.181 333 A CA 2.391 54.425 52.037 -0.005 0.000 0.627 333 A CB -0.756 18.255 19.000 0.017 0.000 0.818 333 A HN 0.244 nan 8.150 nan 0.000 0.445 334 A N -0.714 122.101 122.820 -0.008 0.000 1.898 334 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 334 A C 2.428 180.005 177.584 -0.013 0.000 1.181 334 A CA 1.975 54.007 52.037 -0.008 0.000 0.620 334 A CB -0.814 18.186 19.000 -0.000 0.000 0.819 334 A HN 0.454 nan 8.150 nan 0.000 0.442 335 S N 0.020 115.709 115.700 -0.020 0.000 2.382 335 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 335 S C 1.754 176.328 174.600 -0.043 0.000 1.027 335 S CA 1.312 59.500 58.200 -0.019 0.000 0.991 335 S CB -0.367 62.821 63.200 -0.020 0.000 0.823 335 S HN 0.510 nan 8.310 nan 0.000 0.469 336 L N 0.799 121.948 121.223 -0.125 0.000 2.217 336 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 336 L C 2.609 179.456 176.870 -0.039 0.000 1.107 336 L CA 0.978 55.686 54.840 -0.219 0.000 0.783 336 L CB -0.510 41.320 42.059 -0.381 0.000 0.919 336 L HN 0.271 nan 8.230 nan 0.000 0.442 337 R N -0.350 120.138 120.500 -0.019 0.000 2.075 337 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 337 R C 2.269 178.582 176.300 0.021 0.000 1.126 337 R CA 1.064 57.170 56.100 0.011 0.000 0.963 337 R CB -0.342 29.958 30.300 -0.001 0.000 0.858 337 R HN 0.178 nan 8.270 nan 0.000 0.435 338 V N 0.779 120.704 119.914 0.020 0.000 2.358 338 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 338 V C 1.944 178.046 176.094 0.014 0.000 1.047 338 V CA 1.684 63.990 62.300 0.010 0.000 1.035 338 V CB -0.592 31.240 31.823 0.015 0.000 0.658 338 V HN 0.212 nan 8.190 nan 0.000 0.452 339 F N 1.570 121.464 119.950 -0.093 0.000 2.095 339 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 339 F C 2.442 178.174 175.800 -0.115 0.000 1.104 339 F CA 2.425 60.362 58.000 -0.105 0.000 1.232 339 F CB -0.526 38.395 39.000 -0.132 0.000 0.987 339 F HN 0.116 nan 8.300 nan 0.000 0.475 340 T N -0.029 114.581 114.554 0.093 0.000 2.746 340 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 340 T C 1.700 176.373 174.700 -0.045 0.000 1.039 340 T CA 1.704 63.863 62.100 0.098 0.000 1.142 340 T CB -0.349 68.657 68.868 0.230 0.000 0.866 340 T HN 0.387 nan 8.240 nan 0.000 0.444 341 E N 1.037 121.197 120.200 -0.066 0.000 2.085 341 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 341 E C 2.541 179.010 176.600 -0.218 0.000 0.994 341 E CA 1.061 57.397 56.400 -0.106 0.000 0.801 341 E CB -0.227 29.426 29.700 -0.080 0.000 0.743 341 E HN 0.485 nan 8.360 nan 0.000 0.453 342 A N 1.147 123.784 122.820 -0.304 0.000 1.877 342 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 342 A C 2.158 179.335 177.584 -0.678 0.000 1.186 342 A CA 1.303 53.028 52.037 -0.520 0.000 0.620 342 A CB -0.332 18.410 19.000 -0.429 0.000 0.822 342 A HN 0.120 nan 8.150 nan 0.000 0.443 343 M N -0.190 119.111 119.600 -0.498 0.000 2.149 343 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 343 M C 2.180 178.410 176.300 -0.116 0.000 1.064 343 M CA 2.058 57.183 55.300 -0.291 0.000 1.102 343 M CB -1.938 30.391 32.600 -0.450 0.000 1.369 343 M HN 0.464 nan 8.290 nan 0.000 0.408 344 T N 0.039 114.523 114.554 -0.117 0.000 2.746 344 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 344 T C 1.969 176.608 174.700 -0.101 0.000 1.039 344 T CA 1.106 63.171 62.100 -0.057 0.000 1.142 344 T CB -0.193 68.649 68.868 -0.044 0.000 0.866 344 T HN 0.382 nan 8.240 nan 0.000 0.444 345 R N 0.046 120.414 120.500 -0.219 0.000 2.120 345 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 345 R C 1.683 177.896 176.300 -0.144 0.000 1.123 345 R CA 1.148 57.110 56.100 -0.231 0.000 0.975 345 R CB -0.303 29.785 30.300 -0.353 0.000 0.866 345 R HN 0.437 nan 8.270 nan 0.000 0.446 346 Y N 0.245 120.495 120.300 -0.084 0.000 2.502 346 Y HA 0.078 4.628 4.550 -0.000 0.000 0.295 346 Y C 0.807 176.666 175.900 -0.069 0.000 1.193 346 Y CA -0.278 57.765 58.100 -0.095 0.000 1.295 346 Y CB -0.301 38.130 38.460 -0.047 0.000 1.059 346 Y HN -0.043 nan 8.280 nan 0.000 0.514 347 S N 0.201 115.943 115.700 0.070 0.000 3.766 347 S HA -0.084 4.386 4.470 -0.000 0.000 0.416 347 S C -0.071 174.557 174.600 0.046 0.000 0.902 347 S CA 0.447 58.676 58.200 0.048 0.000 1.283 347 S CB -1.361 61.860 63.200 0.035 0.000 0.891 347 S HN 0.772 nan 8.310 nan 0.000 0.556 348 A N 2.573 125.441 122.820 0.081 0.000 3.474 348 A HA 0.567 4.887 4.320 -0.000 0.000 0.251 348 A C -2.406 175.313 177.584 0.225 0.000 1.062 348 A CA -0.589 51.535 52.037 0.144 0.000 0.945 348 A CB 0.905 20.029 19.000 0.208 0.000 1.296 348 A HN 0.466 nan 8.150 nan 0.000 0.592 349 P HA 0.331 nan 4.420 nan 0.000 0.274 349 P C -2.890 174.464 177.300 0.090 0.000 1.237 349 P CA -1.119 62.045 63.100 0.106 0.000 0.793 349 P CB 0.521 32.215 31.700 -0.009 0.000 0.977 350 P HA 0.111 nan 4.420 nan 0.000 0.277 350 P C 0.607 177.840 177.300 -0.111 0.000 1.240 350 P CA 0.074 63.066 63.100 -0.180 0.000 0.798 350 P CB 0.873 32.448 31.700 -0.208 0.000 0.979 351 G N 1.689 110.416 108.800 -0.122 0.000 2.670 351 G HA2 0.010 3.970 3.960 -0.000 0.000 0.219 351 G HA3 0.010 3.970 3.960 -0.000 0.000 0.219 351 G C -0.098 174.760 174.900 -0.072 0.000 1.342 351 G CA 0.062 45.121 45.100 -0.068 0.000 0.902 351 G HN 0.454 nan 8.290 nan 0.000 0.553 352 D N 2.372 122.728 120.400 -0.074 0.000 2.417 352 D HA 0.273 4.913 4.640 -0.000 0.000 0.250 352 D C -2.284 173.969 176.300 -0.078 0.000 1.166 352 D CA -0.697 53.268 54.000 -0.059 0.000 0.881 352 D CB 1.265 42.040 40.800 -0.040 0.000 1.164 352 D HN 0.000 nan 8.370 nan 0.000 0.467 353 P HA 0.125 nan 4.420 nan 0.000 0.267 353 P C -2.269 175.025 177.300 -0.012 0.000 1.209 353 P CA -0.940 62.144 63.100 -0.028 0.000 0.763 353 P CB -0.131 31.561 31.700 -0.012 0.000 0.816 354 P HA 0.073 nan 4.420 nan 0.000 0.271 354 P C -0.902 176.395 177.300 -0.004 0.000 1.216 354 P CA 0.019 63.150 63.100 0.051 0.000 0.776 354 P CB 0.711 32.503 31.700 0.152 0.000 0.881 355 Q N 2.428 122.235 119.800 0.013 0.000 2.372 355 Q HA 0.644 4.984 4.340 -0.000 0.000 0.273 355 Q C -2.938 173.055 176.000 -0.012 0.000 1.078 355 Q CA -2.571 53.226 55.803 -0.009 0.000 0.806 355 Q CB 1.573 30.320 28.738 0.014 0.000 1.332 355 Q HN 0.200 nan 8.270 nan 0.000 0.435 356 P HA 0.135 nan 4.420 nan 0.000 0.271 356 P C -0.905 176.261 177.300 -0.223 0.000 1.216 356 P CA 0.045 63.055 63.100 -0.151 0.000 0.771 356 P CB 0.702 32.302 31.700 -0.167 0.000 0.864 357 E N 1.957 121.986 120.200 -0.286 0.000 2.222 357 E HA 0.216 4.566 4.350 -0.000 0.000 0.267 357 E C -0.555 175.900 176.600 -0.243 0.000 0.884 357 E CA -0.402 55.885 56.400 -0.189 0.000 0.764 357 E CB 1.434 31.117 29.700 -0.028 0.000 1.169 357 E HN 0.428 nan 8.360 nan 0.000 0.413 358 Y N -0.106 120.336 120.300 0.237 0.000 2.481 358 Y HA 0.167 4.717 4.550 -0.000 0.000 0.247 358 Y C 0.410 176.550 175.900 0.400 0.000 1.151 358 Y CA -0.411 57.888 58.100 0.332 0.000 1.238 358 Y CB 0.973 39.534 38.460 0.167 0.000 1.179 358 Y HN 0.227 nan 8.280 nan 0.000 0.524 359 D N 0.663 121.228 120.400 0.275 0.000 2.440 359 D HA 0.109 4.749 4.640 -0.000 0.000 0.239 359 D C 0.790 176.919 176.300 -0.286 0.000 1.084 359 D CA -0.287 53.747 54.000 0.058 0.000 0.843 359 D CB 1.646 42.476 40.800 0.049 0.000 1.097 359 D HN 0.124 nan 8.370 nan 0.000 0.531 360 L N 4.404 125.156 121.223 -0.785 0.000 2.081 360 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 360 L C 1.599 178.145 176.870 -0.539 0.000 1.080 360 L CA 1.934 56.086 54.840 -1.146 0.000 0.754 360 L CB -0.262 40.825 42.059 -1.621 0.000 0.893 360 L HN 0.496 nan 8.230 nan 0.000 0.433 361 E N -0.735 119.259 120.200 -0.343 0.000 2.338 361 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 361 E C 1.890 178.403 176.600 -0.146 0.000 1.007 361 E CA 0.871 57.150 56.400 -0.202 0.000 0.849 361 E CB -0.151 29.476 29.700 -0.121 0.000 0.774 361 E HN 0.548 nan 8.360 nan 0.000 0.506 362 L N 0.831 121.971 121.223 -0.139 0.000 2.607 362 L HA 0.199 4.539 4.340 -0.000 0.000 0.228 362 L C 0.558 177.379 176.870 -0.083 0.000 1.123 362 L CA -0.163 54.629 54.840 -0.081 0.000 0.890 362 L CB 0.265 42.301 42.059 -0.039 0.000 1.103 362 L HN 0.017 nan 8.230 nan 0.000 0.468 363 I N 0.230 120.720 120.570 -0.133 0.000 2.312 363 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 363 I C 0.052 176.118 176.117 -0.085 0.000 1.031 363 I CA 0.119 61.354 61.300 -0.107 0.000 1.293 363 I CB 1.231 39.139 38.000 -0.153 0.000 1.403 363 I HN -0.081 nan 8.210 nan 0.000 0.484 364 T N 5.218 119.746 114.554 -0.044 0.000 2.744 364 T HA 0.421 4.771 4.350 -0.000 0.000 0.291 364 T C -0.095 174.597 174.700 -0.012 0.000 0.957 364 T CA -0.560 61.526 62.100 -0.024 0.000 1.002 364 T CB 0.821 69.684 68.868 -0.009 0.000 0.919 364 T HN 0.728 nan 8.240 nan 0.000 0.468 365 S N 0.952 116.647 115.700 -0.008 0.000 2.540 365 S HA 0.415 4.885 4.470 -0.000 0.000 0.275 365 S C 0.106 174.717 174.600 0.019 0.000 1.123 365 S CA -0.832 57.366 58.200 -0.004 0.000 0.907 365 S CB 0.678 63.860 63.200 -0.029 0.000 1.081 365 S HN 0.877 nan 8.310 nan 0.000 0.476 366 C N 2.209 121.522 119.300 0.022 0.000 4.167 366 C HA -0.165 4.295 4.460 -0.000 0.000 0.302 366 C C 1.381 176.438 174.990 0.111 0.000 1.384 366 C CA 0.759 59.811 59.018 0.057 0.000 2.041 366 C CB -3.281 24.485 27.740 0.043 0.000 1.303 366 C HN 1.637 nan 8.230 nan 0.000 0.718 367 S N -1.663 114.091 115.700 0.089 0.000 3.358 367 S HA -0.204 4.266 4.470 -0.000 0.000 0.309 367 S C 0.290 174.954 174.600 0.108 0.000 1.247 367 S CA 1.324 59.581 58.200 0.095 0.000 0.961 367 S CB -0.807 62.465 63.200 0.120 0.000 1.074 367 S HN 1.033 nan 8.310 nan 0.000 0.625 368 S N 1.695 117.461 115.700 0.109 0.000 2.599 368 S HA 0.757 5.227 4.470 -0.000 0.000 0.287 368 S C -0.470 174.160 174.600 0.049 0.000 1.105 368 S CA -0.952 57.330 58.200 0.138 0.000 0.899 368 S CB 1.839 65.189 63.200 0.249 0.000 1.100 368 S HN 0.575 nan 8.310 nan 0.000 0.482 369 N N -0.599 118.115 118.700 0.024 0.000 2.329 369 N HA 0.415 5.155 4.740 -0.000 0.000 0.282 369 N C -1.487 173.958 175.510 -0.108 0.000 1.198 369 N CA -0.607 52.408 53.050 -0.057 0.000 0.790 369 N CB 1.110 39.552 38.487 -0.075 0.000 1.579 369 N HN 0.321 nan 8.380 nan 0.000 0.475 370 V N 0.659 120.475 119.914 -0.163 0.000 2.555 370 V HA 0.322 4.442 4.120 -0.000 0.000 0.286 370 V C 0.585 176.541 176.094 -0.230 0.000 1.044 370 V CA 0.061 62.238 62.300 -0.205 0.000 1.026 370 V CB 0.605 32.296 31.823 -0.220 0.000 0.981 370 V HN 0.822 nan 8.190 nan 0.000 0.480 371 S N 3.261 118.735 115.700 -0.378 0.000 2.704 371 S HA 0.787 5.257 4.470 -0.000 0.000 0.296 371 S C -1.163 173.305 174.600 -0.220 0.000 1.138 371 S CA -0.523 57.486 58.200 -0.318 0.000 0.875 371 S CB 2.099 65.078 63.200 -0.368 0.000 1.151 371 S HN 0.631 nan 8.310 nan 0.000 0.500 372 V N 1.515 121.410 119.914 -0.031 0.000 2.604 372 V HA 0.948 5.068 4.120 -0.000 0.000 0.305 372 V C -0.128 175.946 176.094 -0.034 0.000 1.043 372 V CA 0.177 62.413 62.300 -0.108 0.000 0.888 372 V CB 0.997 32.611 31.823 -0.348 0.000 0.995 372 V HN 1.194 nan 8.190 nan 0.000 0.429 373 A N 5.280 127.963 122.820 -0.228 0.000 2.486 373 A HA 0.884 5.204 4.320 -0.000 0.000 0.277 373 A C -1.076 176.052 177.584 -0.759 0.000 1.282 373 A CA -0.612 51.131 52.037 -0.491 0.000 0.784 373 A CB 1.696 20.227 19.000 -0.780 0.000 1.350 373 A HN 0.924 nan 8.150 nan 0.000 0.454 374 H N 0.327 119.042 119.070 -0.593 0.000 2.679 374 H HA 0.353 4.909 4.556 -0.000 0.000 0.360 374 H C -1.156 173.824 175.328 -0.581 0.000 1.105 374 H CA -0.520 55.187 56.048 -0.568 0.000 1.196 374 H CB 1.833 31.216 29.762 -0.633 0.000 1.636 374 H HN 0.905 nan 8.280 nan 0.000 0.531 375 D N 0.953 121.242 120.400 -0.185 0.000 2.447 375 D HA 0.158 4.798 4.640 -0.000 0.000 0.265 375 D C 1.302 177.681 176.300 0.131 0.000 1.250 375 D CA -0.457 53.513 54.000 -0.049 0.000 1.046 375 D CB 0.418 41.200 40.800 -0.030 0.000 1.095 375 D HN 0.452 nan 8.370 nan 0.000 0.555 376 A N -0.449 122.458 122.820 0.145 0.000 2.019 376 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 376 A C 2.034 179.690 177.584 0.120 0.000 1.164 376 A CA 1.478 53.607 52.037 0.152 0.000 0.644 376 A CB -0.789 18.264 19.000 0.088 0.000 0.805 376 A HN 0.447 nan 8.150 nan 0.000 0.449 377 S N -1.903 113.852 115.700 0.092 0.000 2.562 377 S HA 0.335 4.805 4.470 -0.000 0.000 0.221 377 S C 1.496 176.144 174.600 0.080 0.000 0.975 377 S CA 0.862 59.102 58.200 0.067 0.000 0.918 377 S CB 0.109 63.335 63.200 0.043 0.000 0.772 377 S HN 1.575 nan 8.310 nan 0.000 0.531 378 G N 1.776 110.650 108.800 0.123 0.000 2.175 378 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 378 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 378 G C 0.066 175.042 174.900 0.126 0.000 0.982 378 G CA 0.129 45.301 45.100 0.120 0.000 0.641 378 G HN 0.489 nan 8.290 nan 0.000 0.527 379 K N 0.981 121.419 120.400 0.063 0.000 2.350 379 K HA 0.413 4.733 4.320 -0.000 0.000 0.279 379 K C 0.820 177.370 176.600 -0.085 0.000 1.027 379 K CA -0.698 55.598 56.287 0.015 0.000 0.969 379 K CB 0.282 32.778 32.500 -0.007 0.000 0.954 379 K HN 0.287 nan 8.250 nan 0.000 0.474 380 R N 2.013 122.411 120.500 -0.170 0.000 2.484 380 R HA 0.069 4.409 4.340 -0.000 0.000 0.293 380 R C -0.736 175.310 176.300 -0.423 0.000 1.023 380 R CA -0.098 55.719 56.100 -0.471 0.000 1.037 380 R CB 0.570 30.604 30.300 -0.443 0.000 0.951 380 R HN 0.264 nan 8.270 nan 0.000 0.418 381 V N 5.340 124.957 119.914 -0.495 0.000 2.483 381 V HA 0.225 4.345 4.120 -0.000 0.000 0.297 381 V C -0.869 175.056 176.094 -0.282 0.000 1.027 381 V CA -0.880 61.239 62.300 -0.301 0.000 0.855 381 V CB 1.199 32.904 31.823 -0.197 0.000 0.995 381 V HN 0.572 nan 8.190 nan 0.000 0.424 382 Y N 5.411 125.700 120.300 -0.018 0.000 2.309 382 Y HA 0.607 5.157 4.550 0.000 0.000 0.327 382 Y C 0.068 176.033 175.900 0.108 0.000 1.172 382 Y CA -0.143 57.960 58.100 0.006 0.000 1.280 382 Y CB 0.956 39.379 38.460 -0.063 0.000 1.234 382 Y HN 0.731 nan 8.280 nan 0.000 0.512 383 Y N 0.367 120.724 120.300 0.096 0.000 2.638 383 Y HA 0.670 5.220 4.550 0.000 0.000 0.335 383 Y C -2.256 173.696 175.900 0.086 0.000 1.155 383 Y CA -2.004 56.133 58.100 0.061 0.000 1.046 383 Y CB 0.685 39.150 38.460 0.009 0.000 1.303 383 Y HN 0.452 nan 8.280 nan 0.000 0.460 384 L N 2.289 123.570 121.223 0.095 0.000 2.289 384 L HA 0.740 5.080 4.340 -0.000 0.000 0.285 384 L C 0.023 177.051 176.870 0.264 0.000 1.049 384 L CA 0.391 55.273 54.840 0.071 0.000 0.804 384 L CB 1.367 43.497 42.059 0.119 0.000 1.195 384 L HN 1.027 nan 8.230 nan 0.000 0.428 385 T N 4.402 119.062 114.554 0.178 0.000 2.804 385 T HA 0.870 5.220 4.350 -0.000 0.000 0.290 385 T C -1.054 173.772 174.700 0.209 0.000 1.099 385 T CA -0.615 61.673 62.100 0.313 0.000 1.011 385 T CB 1.188 70.205 68.868 0.248 0.000 1.291 385 T HN 0.830 nan 8.240 nan 0.000 0.523 386 R N 0.465 121.020 120.500 0.092 0.000 2.733 386 R HA 0.470 4.810 4.340 -0.000 0.000 0.272 386 R C -1.459 174.679 176.300 -0.270 0.000 1.029 386 R CA -0.988 55.056 56.100 -0.094 0.000 0.888 386 R CB 0.422 30.616 30.300 -0.176 0.000 1.251 386 R HN 0.518 nan 8.270 nan 0.000 0.464 387 D N 1.727 121.967 120.400 -0.266 0.000 2.450 387 D HA 0.048 4.688 4.640 -0.000 0.000 0.247 387 D C -1.391 174.543 176.300 -0.610 0.000 1.162 387 D CA -1.242 52.549 54.000 -0.349 0.000 0.879 387 D CB 1.292 41.973 40.800 -0.197 0.000 1.163 387 D HN 0.341 nan 8.370 nan 0.000 0.472 388 P HA 0.014 nan 4.420 nan 0.000 0.249 388 P C 1.108 178.079 177.300 -0.548 0.000 1.229 388 P CA 0.145 62.551 63.100 -1.157 0.000 0.788 388 P CB 0.301 31.192 31.700 -1.349 0.000 1.072 389 T N -0.248 114.106 114.554 -0.334 0.000 2.622 389 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 389 T C 1.744 176.381 174.700 -0.104 0.000 1.047 389 T CA 2.368 64.372 62.100 -0.159 0.000 1.159 389 T CB -1.176 67.641 68.868 -0.085 0.000 0.863 389 T HN 0.194 nan 8.240 nan 0.000 0.422 390 T N 2.299 116.794 114.554 -0.098 0.000 2.737 390 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 390 T C -0.539 174.123 174.700 -0.064 0.000 1.038 390 T CA 1.155 63.224 62.100 -0.052 0.000 1.144 390 T CB -1.305 67.564 68.868 0.001 0.000 0.866 390 T HN 0.332 nan 8.240 nan 0.000 0.434 391 P HA -0.039 nan 4.420 nan 0.000 0.216 391 P C 1.495 178.832 177.300 0.063 0.000 1.153 391 P CA 1.015 64.119 63.100 0.005 0.000 0.858 391 P CB -0.192 31.480 31.700 -0.047 0.000 0.789 392 L N -1.649 119.567 121.223 -0.011 0.000 2.156 392 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 392 L C 2.457 179.369 176.870 0.071 0.000 1.095 392 L CA 1.197 56.059 54.840 0.037 0.000 0.770 392 L CB -1.038 41.004 42.059 -0.029 0.000 0.914 392 L HN -0.056 nan 8.230 nan 0.000 0.439 393 A N 0.384 123.234 122.820 0.049 0.000 1.902 393 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 393 A C 2.375 180.033 177.584 0.123 0.000 1.181 393 A CA 1.425 53.512 52.037 0.083 0.000 0.623 393 A CB -0.399 18.626 19.000 0.043 0.000 0.818 393 A HN 0.321 nan 8.150 nan 0.000 0.443 394 R N -0.661 119.885 120.500 0.078 0.000 2.115 394 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 394 R C 2.446 178.902 176.300 0.259 0.000 1.100 394 R CA 0.961 57.124 56.100 0.105 0.000 0.980 394 R CB -0.402 29.898 30.300 0.001 0.000 0.875 394 R HN 0.500 nan 8.270 nan 0.000 0.445 395 A N 1.467 124.463 122.820 0.293 0.000 1.933 395 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 395 A C 2.372 180.191 177.584 0.391 0.000 1.175 395 A CA 1.689 54.012 52.037 0.478 0.000 0.628 395 A CB -0.566 18.736 19.000 0.503 0.000 0.814 395 A HN 0.381 nan 8.150 nan 0.000 0.444 396 A N -1.326 121.634 122.820 0.234 0.000 1.902 396 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 396 A C 2.109 179.807 177.584 0.189 0.000 1.181 396 A CA 1.395 53.528 52.037 0.159 0.000 0.623 396 A CB -0.873 18.209 19.000 0.137 0.000 0.818 396 A HN 0.822 nan 8.150 nan 0.000 0.443 397 W N 0.932 122.277 121.300 0.075 0.000 2.355 397 W HA -0.150 4.510 4.660 0.000 0.000 0.309 397 W C 1.706 178.275 176.519 0.084 0.000 1.206 397 W CA 1.975 59.352 57.345 0.054 0.000 1.284 397 W CB -0.313 29.163 29.460 0.026 0.000 1.145 397 W HN 0.549 nan 8.180 nan 0.000 0.502 398 E N -0.898 119.564 120.200 0.437 0.000 2.347 398 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 398 E C 1.946 178.725 176.600 0.297 0.000 1.008 398 E CA 1.383 58.014 56.400 0.386 0.000 0.852 398 E CB -0.117 29.863 29.700 0.468 0.000 0.783 398 E HN 0.078 nan 8.360 nan 0.000 0.505 399 T N 0.279 114.984 114.554 0.253 0.000 2.821 399 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 399 T C 1.780 176.470 174.700 -0.016 0.000 1.046 399 T CA 1.292 63.463 62.100 0.119 0.000 1.139 399 T CB 0.044 68.988 68.868 0.127 0.000 0.871 399 T HN 0.228 nan 8.240 nan 0.000 0.454 400 A N 0.072 122.851 122.820 -0.069 0.000 2.229 400 A HA 0.334 4.654 4.320 -0.000 0.000 0.211 400 A C 0.964 178.441 177.584 -0.179 0.000 1.193 400 A CA -0.059 51.887 52.037 -0.152 0.000 0.879 400 A CB 0.469 19.341 19.000 -0.214 0.000 0.911 400 A HN 0.084 nan 8.150 nan 0.000 0.492 401 R N 0.264 120.682 120.500 -0.136 0.000 2.621 401 R HA 0.378 4.718 4.340 -0.000 0.000 0.292 401 R C -1.581 174.719 176.300 -0.000 0.000 0.969 401 R CA -0.569 55.492 56.100 -0.065 0.000 0.887 401 R CB 0.845 31.141 30.300 -0.007 0.000 1.180 401 R HN 0.469 nan 8.270 nan 0.000 0.450 402 H N 0.722 119.857 119.070 0.109 0.000 2.848 402 H HA 0.145 4.701 4.556 -0.000 0.000 0.317 402 H C 0.405 175.806 175.328 0.120 0.000 1.046 402 H CA 0.811 56.927 56.048 0.113 0.000 1.470 402 H CB 0.723 30.525 29.762 0.068 0.000 1.483 402 H HN 0.499 nan 8.280 nan 0.000 0.548 403 T N 0.696 115.387 114.554 0.229 0.000 2.887 403 T HA 0.256 4.606 4.350 -0.000 0.000 0.288 403 T C -1.736 173.004 174.700 0.067 0.000 1.021 403 T CA -2.070 60.117 62.100 0.145 0.000 1.000 403 T CB 1.839 70.795 68.868 0.146 0.000 1.034 403 T HN 0.256 nan 8.240 nan 0.000 0.467 404 P HA 0.048 nan 4.420 nan 0.000 0.215 404 P C -0.039 177.239 177.300 -0.036 0.000 1.157 404 P CA 0.456 63.525 63.100 -0.051 0.000 0.868 404 P CB 0.050 31.707 31.700 -0.071 0.000 0.788 405 V N 1.739 121.630 119.914 -0.038 0.000 2.370 405 V HA 0.180 4.300 4.120 -0.000 0.000 0.283 405 V C 0.029 176.078 176.094 -0.074 0.000 1.023 405 V CA -0.768 61.494 62.300 -0.062 0.000 0.857 405 V CB 1.107 32.890 31.823 -0.068 0.000 0.985 405 V HN 0.061 nan 8.190 nan 0.000 0.443 406 N N 3.507 122.117 118.700 -0.151 0.000 2.555 406 N HA 0.033 4.773 4.740 -0.000 0.000 0.244 406 N C 1.440 176.725 175.510 -0.376 0.000 1.114 406 N CA 0.204 53.089 53.050 -0.275 0.000 0.963 406 N CB 1.467 39.646 38.487 -0.515 0.000 1.276 406 N HN 0.834 nan 8.380 nan 0.000 0.510 407 S N 2.150 117.756 115.700 -0.157 0.000 2.399 407 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 407 S C 1.824 176.382 174.600 -0.070 0.000 1.022 407 S CA 0.287 58.436 58.200 -0.085 0.000 0.983 407 S CB -0.404 62.798 63.200 0.003 0.000 0.803 407 S HN 0.794 nan 8.310 nan 0.000 0.480 408 W N 1.132 122.345 121.300 -0.146 0.000 2.363 408 W HA 0.003 4.663 4.660 0.000 0.000 0.296 408 W C 1.693 178.123 176.519 -0.147 0.000 1.212 408 W CA 0.406 57.622 57.345 -0.216 0.000 1.260 408 W CB -1.058 27.933 29.460 -0.782 0.000 1.131 408 W HN 0.352 nan 8.180 nan 0.000 0.530 409 L N 2.794 123.423 121.223 -0.991 0.000 2.056 409 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 409 L C 2.717 179.400 176.870 -0.311 0.000 1.078 409 L CA 2.734 57.075 54.840 -0.832 0.000 0.749 409 L CB -1.378 39.966 42.059 -1.193 0.000 0.901 409 L HN 0.058 nan 8.230 nan 0.000 0.433 410 G N -0.697 107.940 108.800 -0.273 0.000 2.440 410 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 410 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 410 G C 1.474 176.374 174.900 -0.001 0.000 1.154 410 G CA 0.799 45.817 45.100 -0.137 0.000 0.767 410 G HN 0.434 nan 8.290 nan 0.000 0.552 411 N N 0.539 119.300 118.700 0.101 0.000 2.188 411 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 411 N C 2.256 177.902 175.510 0.227 0.000 1.018 411 N CA 0.623 53.856 53.050 0.306 0.000 0.858 411 N CB -0.154 38.589 38.487 0.426 0.000 0.989 411 N HN 0.341 nan 8.380 nan 0.000 0.426 412 I N 0.975 121.640 120.570 0.158 0.000 2.179 412 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 412 I C 2.020 178.189 176.117 0.087 0.000 1.088 412 I CA 0.914 62.291 61.300 0.129 0.000 1.357 412 I CB -0.180 37.962 38.000 0.237 0.000 1.051 412 I HN 0.030 nan 8.210 nan 0.000 0.409 413 I N 0.033 120.658 120.570 0.092 0.000 2.142 413 I HA -0.316 3.854 4.170 -0.000 0.000 0.240 413 I C 2.494 178.721 176.117 0.183 0.000 1.078 413 I CA 1.399 62.785 61.300 0.144 0.000 1.343 413 I CB -0.249 37.826 38.000 0.126 0.000 1.046 413 I HN 0.216 nan 8.210 nan 0.000 0.405 414 M N -0.962 118.662 119.600 0.039 0.000 2.349 414 M HA -0.077 4.403 4.480 -0.000 0.000 0.266 414 M C 0.994 177.133 176.300 -0.269 0.000 1.076 414 M CA 1.548 56.782 55.300 -0.109 0.000 1.126 414 M CB -0.551 31.854 32.600 -0.325 0.000 1.392 414 M HN 0.201 nan 8.290 nan 0.000 0.440 415 Y N -0.388 119.898 120.300 -0.023 0.000 2.720 415 Y HA 0.468 5.018 4.550 -0.000 0.000 0.277 415 Y C 1.855 177.497 175.900 -0.429 0.000 1.144 415 Y CA -0.393 57.582 58.100 -0.209 0.000 1.221 415 Y CB -0.922 37.363 38.460 -0.292 0.000 1.163 415 Y HN 0.149 nan 8.280 nan 0.000 0.537 416 A N 1.017 123.622 122.820 -0.357 0.000 1.917 416 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 416 A C -0.391 176.913 177.584 -0.467 0.000 1.182 416 A CA 1.686 53.482 52.037 -0.401 0.000 0.633 416 A CB -1.377 17.401 19.000 -0.371 0.000 0.819 416 A HN 0.276 nan 8.150 nan 0.000 0.448 417 P HA 0.036 nan 4.420 nan 0.000 0.237 417 P C 0.561 177.588 177.300 -0.455 0.000 1.178 417 P CA 1.105 63.929 63.100 -0.461 0.000 0.766 417 P CB -0.437 31.009 31.700 -0.423 0.000 0.876 418 T N -2.620 111.671 114.554 -0.439 0.000 2.899 418 T HA 0.123 4.473 4.350 -0.000 0.000 0.295 418 T C 1.129 175.418 174.700 -0.686 0.000 1.033 418 T CA -0.641 61.154 62.100 -0.507 0.000 1.084 418 T CB 0.637 69.024 68.868 -0.801 0.000 0.979 418 T HN -0.193 nan 8.240 nan 0.000 0.532 419 L N 2.256 122.984 121.223 -0.826 0.000 2.012 419 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 419 L C 2.399 178.953 176.870 -0.528 0.000 1.073 419 L CA 1.817 56.139 54.840 -0.864 0.000 0.748 419 L CB -0.891 40.564 42.059 -1.007 0.000 0.891 419 L HN 0.932 nan 8.230 nan 0.000 0.431 420 W N -1.034 120.048 121.300 -0.362 0.000 2.418 420 W HA 0.091 4.751 4.660 -0.000 0.000 0.292 420 W C 2.027 178.403 176.519 -0.239 0.000 1.213 420 W CA 0.757 57.928 57.345 -0.291 0.000 1.283 420 W CB -1.395 27.928 29.460 -0.228 0.000 1.119 420 W HN 0.297 nan 8.180 nan 0.000 0.542 421 A N 1.904 124.264 122.820 -0.767 0.000 1.898 421 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 421 A C 2.250 179.676 177.584 -0.263 0.000 1.181 421 A CA 1.766 53.507 52.037 -0.493 0.000 0.620 421 A CB -0.761 17.808 19.000 -0.717 0.000 0.819 421 A HN 0.303 nan 8.150 nan 0.000 0.442 422 R N -1.075 119.186 120.500 -0.398 0.000 2.062 422 R HA 0.051 4.391 4.340 -0.000 0.000 0.229 422 R C 2.252 178.359 176.300 -0.322 0.000 1.128 422 R CA 1.692 57.570 56.100 -0.370 0.000 0.960 422 R CB -0.322 29.606 30.300 -0.621 0.000 0.855 422 R HN 0.504 nan 8.270 nan 0.000 0.432 423 M N -0.370 118.913 119.600 -0.528 0.000 2.288 423 M HA -0.002 4.478 4.480 -0.000 0.000 0.266 423 M C 1.845 178.075 176.300 -0.117 0.000 1.072 423 M CA 1.446 56.507 55.300 -0.398 0.000 1.132 423 M CB 0.152 32.465 32.600 -0.479 0.000 1.386 423 M HN 0.120 nan 8.290 nan 0.000 0.432 424 I N -0.807 119.549 120.570 -0.357 0.000 2.962 424 I HA -0.089 4.081 4.170 -0.000 0.000 0.246 424 I C 2.072 178.019 176.117 -0.284 0.000 1.091 424 I CA 0.289 61.110 61.300 -0.797 0.000 1.469 424 I CB -0.245 37.232 38.000 -0.872 0.000 1.324 424 I HN 0.105 nan 8.210 nan 0.000 0.461 425 L N 0.354 121.586 121.223 0.015 0.000 2.017 425 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 425 L C 2.695 179.851 176.870 0.476 0.000 1.073 425 L CA 1.707 56.743 54.840 0.327 0.000 0.745 425 L CB -0.449 41.832 42.059 0.370 0.000 0.894 425 L HN 0.293 nan 8.230 nan 0.000 0.432 426 M N -0.951 118.892 119.600 0.405 0.000 2.086 426 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 426 M C 2.323 179.118 176.300 0.825 0.000 1.067 426 M CA 2.074 57.723 55.300 0.582 0.000 1.116 426 M CB -0.696 32.043 32.600 0.232 0.000 1.348 426 M HN 0.249 nan 8.290 nan 0.000 0.407 427 T N -1.293 113.716 114.554 0.758 0.000 2.708 427 T HA -0.224 4.126 4.350 -0.000 0.000 0.266 427 T C 1.671 176.670 174.700 0.499 0.000 1.037 427 T CA 1.920 64.443 62.100 0.706 0.000 1.146 427 T CB -0.551 68.773 68.868 0.759 0.000 0.865 427 T HN 0.456 nan 8.240 nan 0.000 0.435 428 H N 0.297 119.546 119.070 0.300 0.000 2.321 428 H HA 0.007 4.563 4.556 0.000 0.000 0.300 428 H C 1.715 176.925 175.328 -0.197 0.000 1.087 428 H CA 1.563 57.651 56.048 0.066 0.000 1.319 428 H CB -0.436 29.222 29.762 -0.173 0.000 1.379 428 H HN 0.360 nan 8.280 nan 0.000 0.501 429 F N -1.360 118.544 119.950 -0.077 0.000 2.335 429 F HA 0.038 4.565 4.527 -0.000 0.000 0.296 429 F C 1.872 177.498 175.800 -0.290 0.000 1.091 429 F CA 0.350 58.065 58.000 -0.475 0.000 1.399 429 F CB -0.396 37.918 39.000 -1.142 0.000 1.067 429 F HN 0.130 nan 8.300 nan 0.000 0.520 430 F N -0.535 119.509 119.950 0.156 0.000 2.234 430 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 430 F C 2.736 178.561 175.800 0.041 0.000 1.087 430 F CA 1.492 59.596 58.000 0.173 0.000 1.340 430 F CB -0.830 38.375 39.000 0.342 0.000 1.031 430 F HN -0.111 nan 8.300 nan 0.000 0.500 431 S N 0.393 116.172 115.700 0.131 0.000 2.368 431 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 431 S C 2.139 176.695 174.600 -0.074 0.000 1.030 431 S CA 1.447 59.646 58.200 -0.001 0.000 0.999 431 S CB -0.461 62.716 63.200 -0.037 0.000 0.844 431 S HN 0.320 nan 8.310 nan 0.000 0.459 432 I N 1.229 121.691 120.570 -0.180 0.000 2.179 432 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 432 I C 2.189 178.260 176.117 -0.076 0.000 1.088 432 I CA 1.152 62.340 61.300 -0.186 0.000 1.357 432 I CB -0.356 37.457 38.000 -0.312 0.000 1.051 432 I HN 0.312 nan 8.210 nan 0.000 0.409 433 L N 0.035 121.223 121.223 -0.058 0.000 2.083 433 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 433 L C 2.536 179.423 176.870 0.028 0.000 1.083 433 L CA 1.211 56.044 54.840 -0.011 0.000 0.752 433 L CB -0.518 41.501 42.059 -0.067 0.000 0.899 433 L HN 0.280 nan 8.230 nan 0.000 0.433 434 L N -0.234 121.017 121.223 0.047 0.000 2.017 434 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 434 L C 2.885 179.768 176.870 0.022 0.000 1.073 434 L CA 1.278 56.150 54.840 0.053 0.000 0.745 434 L CB -0.646 41.447 42.059 0.057 0.000 0.894 434 L HN 0.231 nan 8.230 nan 0.000 0.432 435 A N -1.008 121.811 122.820 -0.001 0.000 1.972 435 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 435 A C 2.095 179.681 177.584 0.002 0.000 1.169 435 A CA 1.345 53.376 52.037 -0.010 0.000 0.635 435 A CB -0.226 18.755 19.000 -0.032 0.000 0.810 435 A HN 0.423 nan 8.150 nan 0.000 0.446 436 Q N -0.968 118.839 119.800 0.011 0.000 2.319 436 Q HA 0.098 4.438 4.340 -0.000 0.000 0.202 436 Q C -0.453 175.567 176.000 0.034 0.000 0.896 436 Q CA 0.369 56.187 55.803 0.025 0.000 0.942 436 Q CB 0.148 28.909 28.738 0.038 0.000 1.083 436 Q HN 0.774 nan 8.270 nan 0.000 0.510 437 E N 0.569 120.790 120.200 0.035 0.000 2.389 437 E HA -0.244 4.106 4.350 -0.000 0.000 0.243 437 E C -0.241 176.389 176.600 0.050 0.000 1.154 437 E CA 0.272 56.697 56.400 0.042 0.000 0.723 437 E CB -1.084 28.637 29.700 0.035 0.000 1.261 437 E HN 0.423 nan 8.360 nan 0.000 0.390 438 Q N -0.389 119.444 119.800 0.056 0.000 2.175 438 Q HA 0.219 4.559 4.340 -0.000 0.000 0.225 438 Q C 1.675 177.716 176.000 0.069 0.000 0.837 438 Q CA -0.273 55.570 55.803 0.066 0.000 1.032 438 Q CB 0.464 29.250 28.738 0.078 0.000 1.137 438 Q HN 0.392 nan 8.270 nan 0.000 0.483 439 L N 0.254 121.520 121.223 0.072 0.000 2.079 439 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 439 L C 1.784 178.708 176.870 0.090 0.000 1.081 439 L CA 1.440 56.331 54.840 0.086 0.000 0.752 439 L CB -0.094 42.044 42.059 0.131 0.000 0.896 439 L HN 0.332 nan 8.230 nan 0.000 0.433 440 E N -0.290 119.958 120.200 0.080 0.000 2.371 440 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 440 E C 0.766 177.407 176.600 0.068 0.000 1.012 440 E CA 0.003 56.447 56.400 0.073 0.000 0.860 440 E CB 0.199 29.937 29.700 0.062 0.000 0.811 440 E HN 0.246 nan 8.360 nan 0.000 0.502 441 K N 1.899 122.341 120.400 0.071 0.000 2.378 441 K HA 0.203 4.523 4.320 -0.000 0.000 0.288 441 K C -0.552 176.091 176.600 0.072 0.000 1.057 441 K CA -0.316 56.013 56.287 0.070 0.000 0.971 441 K CB 0.609 33.156 32.500 0.077 0.000 0.975 441 K HN -0.095 nan 8.250 nan 0.000 0.475 442 A N 5.226 128.085 122.820 0.065 0.000 2.477 442 A HA 0.303 4.623 4.320 -0.000 0.000 0.246 442 A C -0.490 177.126 177.584 0.053 0.000 1.078 442 A CA -0.195 51.877 52.037 0.060 0.000 0.770 442 A CB 0.148 19.187 19.000 0.065 0.000 1.011 442 A HN 0.766 nan 8.150 nan 0.000 0.494 443 L N 1.852 123.088 121.223 0.022 0.000 2.354 443 L HA 0.389 4.729 4.340 -0.000 0.000 0.269 443 L C -0.880 175.970 176.870 -0.034 0.000 1.005 443 L CA -0.999 53.836 54.840 -0.008 0.000 0.819 443 L CB 2.087 44.108 42.059 -0.063 0.000 1.311 443 L HN 0.565 nan 8.230 nan 0.000 0.423 444 D N 1.515 121.904 120.400 -0.018 0.000 2.264 444 D HA 0.461 5.101 4.640 -0.000 0.000 0.250 444 D C -0.496 175.746 176.300 -0.095 0.000 1.113 444 D CA 0.032 54.024 54.000 -0.014 0.000 0.871 444 D CB 1.393 42.219 40.800 0.044 0.000 1.167 444 D HN 0.606 nan 8.370 nan 0.000 0.447 445 C N 0.871 120.106 119.300 -0.108 0.000 3.241 445 C HA 0.627 5.087 4.460 -0.000 0.000 0.312 445 C C -1.108 173.817 174.990 -0.108 0.000 1.350 445 C CA -0.864 58.063 59.018 -0.152 0.000 1.415 445 C CB 1.166 28.755 27.740 -0.252 0.000 1.770 445 C HN 0.522 nan 8.230 nan 0.000 0.466 446 Q N 1.064 120.802 119.800 -0.102 0.000 2.293 446 Q HA 0.742 5.082 4.340 -0.000 0.000 0.261 446 Q C -1.107 174.840 176.000 -0.089 0.000 0.960 446 Q CA -0.256 55.510 55.803 -0.061 0.000 0.882 446 Q CB 2.075 30.789 28.738 -0.041 0.000 1.275 446 Q HN 0.718 nan 8.270 nan 0.000 0.445 447 I N 2.788 123.312 120.570 -0.078 0.000 2.447 447 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 447 I C -0.962 175.161 176.117 0.009 0.000 1.023 447 I CA -0.841 60.327 61.300 -0.221 0.000 1.083 447 I CB 1.029 38.591 38.000 -0.730 0.000 1.245 447 I HN 0.633 nan 8.210 nan 0.000 0.434 448 Y N 5.280 125.608 120.300 0.046 0.000 3.305 448 Y HA -0.258 4.292 4.550 0.000 0.000 0.212 448 Y C 1.494 177.365 175.900 -0.049 0.000 1.248 448 Y CA 1.073 59.190 58.100 0.030 0.000 1.359 448 Y CB -1.958 36.534 38.460 0.054 0.000 1.407 448 Y HN 0.989 nan 8.280 nan 0.000 0.572 449 G N -2.208 106.671 108.800 0.132 0.000 2.253 449 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.251 449 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.251 449 G C 0.435 175.352 174.900 0.028 0.000 0.998 449 G CA 0.164 45.301 45.100 0.062 0.000 0.621 449 G HN 1.566 nan 8.290 nan 0.000 0.524 450 A N -0.371 122.466 122.820 0.030 0.000 2.310 450 A HA 0.641 4.961 4.320 -0.000 0.000 0.299 450 A C 0.627 178.001 177.584 -0.350 0.000 1.147 450 A CA 0.316 52.204 52.037 -0.248 0.000 0.818 450 A CB 0.777 19.538 19.000 -0.398 0.000 1.096 450 A HN 1.016 nan 8.150 nan 0.000 0.495 451 C N 1.513 120.522 119.300 -0.484 0.000 2.435 451 C HA 0.586 5.046 4.460 -0.000 0.000 0.375 451 C C -0.525 174.022 174.990 -0.739 0.000 1.281 451 C CA -0.111 58.691 59.018 -0.361 0.000 1.963 451 C CB -1.648 26.052 27.740 -0.067 0.000 2.490 451 C HN 0.680 nan 8.230 nan 0.000 0.557 452 Y N 0.828 120.936 120.300 -0.320 0.000 2.442 452 Y HA 0.411 4.961 4.550 -0.000 0.000 0.344 452 Y C 0.367 176.145 175.900 -0.203 0.000 0.976 452 Y CA -0.368 57.520 58.100 -0.352 0.000 1.040 452 Y CB 1.571 39.768 38.460 -0.439 0.000 1.228 452 Y HN 0.580 nan 8.280 nan 0.000 0.451 453 S N 4.259 119.952 115.700 -0.012 0.000 2.430 453 S HA 0.639 5.109 4.470 -0.000 0.000 0.289 453 S C -0.819 173.828 174.600 0.079 0.000 1.143 453 S CA -0.262 57.974 58.200 0.059 0.000 1.067 453 S CB -0.518 62.744 63.200 0.103 0.000 0.964 453 S HN 0.530 nan 8.310 nan 0.000 0.485 454 I N 4.249 124.849 120.570 0.050 0.000 2.466 454 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 454 I C -0.123 176.022 176.117 0.046 0.000 1.026 454 I CA -0.576 60.764 61.300 0.066 0.000 1.078 454 I CB 2.093 40.121 38.000 0.046 0.000 1.249 454 I HN 0.544 nan 8.210 nan 0.000 0.429 455 E N 7.237 127.480 120.200 0.072 0.000 2.229 455 E HA 0.164 4.514 4.350 -0.000 0.000 0.283 455 E C -1.755 174.900 176.600 0.092 0.000 1.030 455 E CA -1.565 54.879 56.400 0.074 0.000 0.836 455 E CB 1.166 30.912 29.700 0.077 0.000 1.068 455 E HN 0.332 nan 8.360 nan 0.000 0.401 456 P HA -0.142 nan 4.420 nan 0.000 0.221 456 P C 0.931 178.382 177.300 0.250 0.000 1.145 456 P CA 0.968 64.148 63.100 0.134 0.000 0.795 456 P CB 0.228 31.951 31.700 0.039 0.000 0.775 457 L N -0.815 120.529 121.223 0.202 0.000 2.376 457 L HA -0.089 4.251 4.340 -0.000 0.000 0.219 457 L C 1.497 178.461 176.870 0.157 0.000 1.133 457 L CA 1.077 56.045 54.840 0.213 0.000 0.816 457 L CB -0.636 41.515 42.059 0.153 0.000 0.933 457 L HN -0.051 nan 8.230 nan 0.000 0.449 458 D N -0.194 120.286 120.400 0.132 0.000 2.355 458 D HA -0.008 4.632 4.640 -0.000 0.000 0.218 458 D C 2.279 178.646 176.300 0.111 0.000 1.004 458 D CA 0.384 54.438 54.000 0.091 0.000 0.880 458 D CB 0.303 41.145 40.800 0.069 0.000 0.911 458 D HN 0.294 nan 8.370 nan 0.000 0.528 459 L N 1.015 122.348 121.223 0.182 0.000 2.013 459 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 459 L C -0.473 176.515 176.870 0.197 0.000 1.073 459 L CA 1.573 56.544 54.840 0.218 0.000 0.753 459 L CB -1.472 40.786 42.059 0.331 0.000 0.890 459 L HN 0.055 nan 8.230 nan 0.000 0.432 460 P HA -0.184 nan 4.420 nan 0.000 0.216 460 P C 1.346 178.695 177.300 0.081 0.000 1.150 460 P CA 1.233 64.372 63.100 0.064 0.000 0.837 460 P CB 0.056 31.635 31.700 -0.202 0.000 0.786 461 Q N -0.865 118.939 119.800 0.007 0.000 2.079 461 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 461 Q C 2.172 178.173 176.000 0.001 0.000 0.974 461 Q CA 1.215 57.007 55.803 -0.019 0.000 0.840 461 Q CB -0.865 27.845 28.738 -0.048 0.000 0.898 461 Q HN 0.256 nan 8.270 nan 0.000 0.430 462 I N -0.023 120.560 120.570 0.022 0.000 2.179 462 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 462 I C 1.934 178.084 176.117 0.054 0.000 1.088 462 I CA 1.158 62.454 61.300 -0.008 0.000 1.357 462 I CB -0.231 37.806 38.000 0.062 0.000 1.051 462 I HN 0.182 nan 8.210 nan 0.000 0.409 463 I N 0.339 121.001 120.570 0.154 0.000 2.315 463 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 463 I C 2.615 178.758 176.117 0.045 0.000 1.117 463 I CA 1.249 62.646 61.300 0.161 0.000 1.404 463 I CB -0.394 37.697 38.000 0.151 0.000 1.071 463 I HN 0.286 nan 8.210 nan 0.000 0.419 464 E N 1.197 121.477 120.200 0.134 0.000 2.077 464 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 464 E C 2.395 179.001 176.600 0.009 0.000 0.989 464 E CA 1.045 57.509 56.400 0.107 0.000 0.800 464 E CB 0.130 29.939 29.700 0.182 0.000 0.746 464 E HN 0.295 nan 8.360 nan 0.000 0.452 465 R N 0.104 120.590 120.500 -0.024 0.000 2.075 465 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 465 R C 2.491 178.726 176.300 -0.109 0.000 1.126 465 R CA 0.868 56.925 56.100 -0.072 0.000 0.963 465 R CB -0.381 29.850 30.300 -0.114 0.000 0.858 465 R HN 0.334 nan 8.270 nan 0.000 0.435 466 L N -0.925 120.205 121.223 -0.155 0.000 2.102 466 L HA -0.047 4.293 4.340 -0.000 0.000 0.202 466 L C 2.038 178.661 176.870 -0.412 0.000 1.076 466 L CA 0.981 55.630 54.840 -0.319 0.000 0.761 466 L CB -0.416 41.383 42.059 -0.434 0.000 0.921 466 L HN 0.239 nan 8.230 nan 0.000 0.444 467 H N -0.478 118.525 119.070 -0.111 0.000 2.648 467 H HA 0.288 4.844 4.556 -0.000 0.000 0.265 467 H C 0.955 176.200 175.328 -0.138 0.000 0.961 467 H CA 0.775 56.743 56.048 -0.134 0.000 1.185 467 H CB 0.815 30.469 29.762 -0.180 0.000 1.449 467 H HN 0.332 nan 8.280 nan 0.000 0.523 468 G N 0.843 109.621 108.800 -0.036 0.000 2.746 468 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.685 468 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.685 468 G C 0.561 175.416 174.900 -0.075 0.000 1.350 468 G CA -0.214 44.866 45.100 -0.033 0.000 0.837 468 G HN 0.244 nan 8.290 nan 0.000 0.564 469 L N 1.032 122.275 121.223 0.033 0.000 2.456 469 L HA -0.036 4.304 4.340 -0.000 0.000 0.224 469 L C 3.072 179.984 176.870 0.069 0.000 1.148 469 L CA 1.820 56.754 54.840 0.156 0.000 0.825 469 L CB -0.361 41.844 42.059 0.244 0.000 0.937 469 L HN 0.849 nan 8.230 nan 0.000 0.450 470 S N -0.279 115.405 115.700 -0.026 0.000 2.423 470 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 470 S C 2.124 176.644 174.600 -0.133 0.000 1.014 470 S CA 0.712 58.884 58.200 -0.048 0.000 0.965 470 S CB -0.311 62.854 63.200 -0.058 0.000 0.785 470 S HN 0.356 nan 8.310 nan 0.000 0.495 471 A N 0.679 123.327 122.820 -0.286 0.000 2.125 471 A HA 0.173 4.493 4.320 -0.000 0.000 0.219 471 A C 1.469 178.837 177.584 -0.360 0.000 1.156 471 A CA 0.889 52.679 52.037 -0.411 0.000 0.671 471 A CB -0.847 17.823 19.000 -0.550 0.000 0.794 471 A HN 0.583 nan 8.150 nan 0.000 0.459 472 F N -0.099 119.872 119.950 0.036 0.000 2.765 472 F HA 0.113 4.640 4.527 0.000 0.000 0.302 472 F C 1.849 177.701 175.800 0.086 0.000 1.111 472 F CA 0.634 58.680 58.000 0.078 0.000 1.359 472 F CB 0.086 39.163 39.000 0.127 0.000 1.097 472 F HN 0.252 nan 8.300 nan 0.000 0.577 473 S N -1.449 114.354 115.700 0.171 0.000 2.847 473 S HA 0.301 4.771 4.470 -0.000 0.000 0.254 473 S C 0.072 174.740 174.600 0.114 0.000 1.039 473 S CA -0.358 57.936 58.200 0.157 0.000 1.113 473 S CB -0.553 62.732 63.200 0.141 0.000 1.092 473 S HN 0.055 nan 8.310 nan 0.000 0.620 474 L N 3.616 124.827 121.223 -0.019 0.000 2.499 474 L HA 0.371 4.711 4.340 -0.000 0.000 0.273 474 L C 0.545 177.316 176.870 -0.164 0.000 1.195 474 L CA 0.192 54.904 54.840 -0.212 0.000 0.882 474 L CB 0.026 41.836 42.059 -0.414 0.000 1.133 474 L HN 0.636 nan 8.230 nan 0.000 0.483 475 H N -1.030 117.852 119.070 -0.314 0.000 2.942 475 H HA 0.437 4.993 4.556 0.000 0.000 0.316 475 H C -0.236 174.932 175.328 -0.267 0.000 1.323 475 H CA -0.976 54.944 56.048 -0.214 0.000 1.144 475 H CB 1.134 30.877 29.762 -0.031 0.000 1.866 475 H HN 0.385 nan 8.280 nan 0.000 0.545 476 S N -0.389 115.338 115.700 0.046 0.000 3.572 476 S HA -0.226 4.244 4.470 -0.000 0.000 0.394 476 S C -0.737 173.874 174.600 0.017 0.000 0.923 476 S CA 0.402 58.639 58.200 0.061 0.000 1.291 476 S CB -2.443 60.758 63.200 0.001 0.000 0.914 476 S HN 0.519 nan 8.310 nan 0.000 0.545 477 Y N 1.695 122.042 120.300 0.079 0.000 2.330 477 Y HA 0.330 4.880 4.550 -0.000 0.000 0.341 477 Y C 1.428 177.386 175.900 0.097 0.000 1.278 477 Y CA 0.236 58.386 58.100 0.084 0.000 1.453 477 Y CB 0.402 38.903 38.460 0.068 0.000 1.342 477 Y HN 0.548 nan 8.280 nan 0.000 0.590 478 S N 1.389 117.250 115.700 0.269 0.000 2.579 478 S HA 0.095 4.565 4.470 -0.000 0.000 0.275 478 S C -1.999 172.685 174.600 0.141 0.000 1.345 478 S CA -1.065 57.233 58.200 0.163 0.000 1.031 478 S CB 1.093 64.366 63.200 0.122 0.000 0.892 478 S HN 0.446 nan 8.310 nan 0.000 0.529 479 P HA -0.000 nan 4.420 nan 0.000 0.215 479 P C 1.741 179.081 177.300 0.067 0.000 1.153 479 P CA 1.654 64.802 63.100 0.079 0.000 0.853 479 P CB -0.466 31.272 31.700 0.062 0.000 0.788 480 G N -0.160 108.675 108.800 0.060 0.000 2.418 480 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 480 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 480 G C 1.672 176.599 174.900 0.046 0.000 1.158 480 G CA 0.889 46.015 45.100 0.043 0.000 0.771 480 G HN 0.262 nan 8.290 nan 0.000 0.545 481 E N 0.650 120.896 120.200 0.077 0.000 2.047 481 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 481 E C 2.449 179.089 176.600 0.067 0.000 0.987 481 E CA 0.736 57.192 56.400 0.092 0.000 0.799 481 E CB -0.381 29.428 29.700 0.181 0.000 0.752 481 E HN 0.492 nan 8.360 nan 0.000 0.449 482 I N 0.920 121.537 120.570 0.079 0.000 2.163 482 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 482 I C 1.935 178.074 176.117 0.036 0.000 1.085 482 I CA 1.171 62.503 61.300 0.054 0.000 1.347 482 I CB -0.462 37.585 38.000 0.079 0.000 1.044 482 I HN 0.160 nan 8.210 nan 0.000 0.408 483 N N 0.683 119.404 118.700 0.037 0.000 2.120 483 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 483 N C 1.904 177.419 175.510 0.007 0.000 1.024 483 N CA 1.218 54.282 53.050 0.024 0.000 0.852 483 N CB -0.429 38.073 38.487 0.025 0.000 1.003 483 N HN 0.347 nan 8.380 nan 0.000 0.424 484 R N 0.730 121.229 120.500 -0.002 0.000 2.075 484 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 484 R C 1.895 178.161 176.300 -0.056 0.000 1.126 484 R CA 0.885 56.965 56.100 -0.032 0.000 0.963 484 R CB -0.137 30.138 30.300 -0.043 0.000 0.858 484 R HN -0.039 nan 8.270 nan 0.000 0.435 485 V N 1.097 120.984 119.914 -0.046 0.000 2.295 485 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 485 V C 2.478 178.557 176.094 -0.025 0.000 1.049 485 V CA 1.912 64.178 62.300 -0.057 0.000 1.024 485 V CB -0.777 31.037 31.823 -0.016 0.000 0.648 485 V HN 0.554 nan 8.190 nan 0.000 0.447 486 A N -0.510 122.311 122.820 0.001 0.000 1.883 486 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 486 A C 2.577 180.170 177.584 0.016 0.000 1.186 486 A CA 2.426 54.475 52.037 0.020 0.000 0.624 486 A CB -0.923 18.094 19.000 0.028 0.000 0.822 486 A HN 0.495 nan 8.150 nan 0.000 0.444 487 S N -1.326 114.376 115.700 0.003 0.000 2.370 487 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 487 S C 2.087 176.687 174.600 0.000 0.000 1.033 487 S CA 1.648 59.850 58.200 0.003 0.000 1.011 487 S CB -0.973 62.224 63.200 -0.006 0.000 0.852 487 S HN 0.773 nan 8.310 nan 0.000 0.457 488 C N 1.387 120.671 119.300 -0.026 0.000 2.432 488 C HA 0.057 4.517 4.460 -0.000 0.000 0.277 488 C C 2.509 177.499 174.990 0.001 0.000 1.249 488 C CA 0.914 59.909 59.018 -0.038 0.000 1.725 488 C CB -1.702 25.971 27.740 -0.111 0.000 2.028 488 C HN 0.687 nan 8.230 nan 0.000 0.477 489 L N 0.368 121.599 121.223 0.013 0.000 2.046 489 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 489 L C 3.036 179.942 176.870 0.060 0.000 1.077 489 L CA 1.661 56.530 54.840 0.048 0.000 0.747 489 L CB -0.906 41.198 42.059 0.075 0.000 0.896 489 L HN 0.368 nan 8.230 nan 0.000 0.432 490 R N 0.449 120.986 120.500 0.062 0.000 2.073 490 R HA -0.198 4.141 4.340 -0.000 0.000 0.234 490 R C 2.364 178.747 176.300 0.139 0.000 1.134 490 R CA 1.577 57.729 56.100 0.085 0.000 0.952 490 R CB -0.291 30.047 30.300 0.063 0.000 0.850 490 R HN 0.303 nan 8.270 nan 0.000 0.433 491 K N 1.126 121.589 120.400 0.105 0.000 2.009 491 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 491 K C 1.936 178.679 176.600 0.240 0.000 1.049 491 K CA 1.385 57.745 56.287 0.123 0.000 0.929 491 K CB -0.077 32.461 32.500 0.064 0.000 0.714 491 K HN 0.109 nan 8.250 nan 0.000 0.440 492 L N -0.361 120.962 121.223 0.167 0.000 2.418 492 L HA 0.106 4.446 4.340 -0.000 0.000 0.218 492 L C 0.975 177.853 176.870 0.013 0.000 1.125 492 L CA 0.522 55.454 54.840 0.153 0.000 0.835 492 L CB 0.043 42.148 42.059 0.078 0.000 0.953 492 L HN 0.674 nan 8.230 nan 0.000 0.454 493 G N 0.642 109.380 108.800 -0.104 0.000 2.212 493 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.255 493 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.255 493 G C 0.003 174.787 174.900 -0.193 0.000 1.062 493 G CA -0.016 44.793 45.100 -0.484 0.000 0.815 493 G HN 0.081 nan 8.290 nan 0.000 0.497 494 V N 0.967 120.868 119.914 -0.022 0.000 2.530 494 V HA 0.370 4.490 4.120 -0.000 0.000 0.282 494 V C -1.113 175.065 176.094 0.141 0.000 1.048 494 V CA -1.413 60.952 62.300 0.108 0.000 0.997 494 V CB 1.288 33.211 31.823 0.166 0.000 0.987 494 V HN 0.196 nan 8.190 nan 0.000 0.477 495 P HA 0.084 nan 4.420 nan 0.000 0.265 495 P C -2.409 174.996 177.300 0.175 0.000 1.187 495 P CA -0.641 62.471 63.100 0.020 0.000 0.766 495 P CB -0.244 31.284 31.700 -0.286 0.000 0.820 496 P HA 0.016 nan 4.420 nan 0.000 0.270 496 P C 0.921 178.389 177.300 0.279 0.000 1.223 496 P CA 0.101 63.297 63.100 0.160 0.000 0.785 496 P CB 0.668 32.416 31.700 0.081 0.000 0.923 497 L N 0.945 122.344 121.223 0.293 0.000 2.127 497 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 497 L C 2.847 179.908 176.870 0.317 0.000 1.089 497 L CA 1.756 56.807 54.840 0.352 0.000 0.757 497 L CB -0.800 41.376 42.059 0.195 0.000 0.899 497 L HN 0.466 nan 8.230 nan 0.000 0.434 498 R N -0.405 120.216 120.500 0.202 0.000 2.096 498 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 498 R C 1.975 178.359 176.300 0.141 0.000 1.127 498 R CA 1.429 57.627 56.100 0.162 0.000 0.968 498 R CB -1.097 29.260 30.300 0.095 0.000 0.861 498 R HN 0.113 nan 8.270 nan 0.000 0.440 499 V N 0.486 120.435 119.914 0.058 0.000 2.358 499 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 499 V C 1.964 178.039 176.094 -0.032 0.000 1.047 499 V CA 1.789 64.045 62.300 -0.072 0.000 1.035 499 V CB -0.679 30.983 31.823 -0.268 0.000 0.658 499 V HN 0.393 nan 8.190 nan 0.000 0.452 500 W N 0.191 121.598 121.300 0.178 0.000 2.363 500 W HA -0.118 4.542 4.660 0.000 0.000 0.296 500 W C 2.734 179.462 176.519 0.347 0.000 1.212 500 W CA 1.474 58.965 57.345 0.243 0.000 1.260 500 W CB -0.272 29.327 29.460 0.232 0.000 1.131 500 W HN 0.072 nan 8.180 nan 0.000 0.530 501 R N -0.218 120.617 120.500 0.559 0.000 2.073 501 R HA -0.233 4.107 4.340 -0.000 0.000 0.234 501 R C 2.107 178.540 176.300 0.223 0.000 1.134 501 R CA 2.155 58.540 56.100 0.475 0.000 0.952 501 R CB -0.746 29.809 30.300 0.426 0.000 0.850 501 R HN 0.237 nan 8.270 nan 0.000 0.433 502 H N 0.194 119.326 119.070 0.103 0.000 2.353 502 H HA -0.033 4.523 4.556 -0.000 0.000 0.300 502 H C 2.016 177.336 175.328 -0.014 0.000 1.090 502 H CA 2.169 58.226 56.048 0.015 0.000 1.327 502 H CB 0.133 29.888 29.762 -0.012 0.000 1.383 502 H HN 0.157 nan 8.280 nan 0.000 0.508 503 R N -0.312 120.212 120.500 0.039 0.000 2.096 503 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 503 R C 2.527 178.781 176.300 -0.078 0.000 1.127 503 R CA 0.962 57.046 56.100 -0.027 0.000 0.968 503 R CB -0.240 30.089 30.300 0.048 0.000 0.861 503 R HN 0.387 nan 8.270 nan 0.000 0.440 504 A N 1.138 123.953 122.820 -0.008 0.000 1.969 504 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 504 A C 2.032 179.366 177.584 -0.416 0.000 1.169 504 A CA 1.071 52.980 52.037 -0.212 0.000 0.635 504 A CB -0.293 18.643 19.000 -0.107 0.000 0.810 504 A HN 0.208 nan 8.150 nan 0.000 0.445 505 R N -0.666 119.644 120.500 -0.317 0.000 2.081 505 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 505 R C 2.646 178.768 176.300 -0.297 0.000 1.131 505 R CA 1.492 57.409 56.100 -0.305 0.000 0.960 505 R CB -0.366 29.780 30.300 -0.257 0.000 0.856 505 R HN 0.566 nan 8.270 nan 0.000 0.436 506 S N 0.197 115.716 115.700 -0.301 0.000 2.345 506 S HA -0.101 4.369 4.470 -0.000 0.000 0.220 506 S C 2.052 176.504 174.600 -0.247 0.000 1.031 506 S CA 1.298 59.351 58.200 -0.245 0.000 0.996 506 S CB -0.163 62.904 63.200 -0.220 0.000 0.882 506 S HN 0.112 nan 8.310 nan 0.000 0.445 507 V N 2.693 122.418 119.914 -0.315 0.000 2.287 507 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 507 V C 2.743 178.561 176.094 -0.459 0.000 1.053 507 V CA 2.353 64.424 62.300 -0.382 0.000 1.027 507 V CB -0.899 30.607 31.823 -0.528 0.000 0.646 507 V HN 0.511 nan 8.190 nan 0.000 0.447 508 R N 0.243 120.390 120.500 -0.589 0.000 2.080 508 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 508 R C 2.316 178.493 176.300 -0.206 0.000 1.137 508 R CA 1.923 57.792 56.100 -0.385 0.000 0.943 508 R CB -0.517 29.592 30.300 -0.319 0.000 0.846 508 R HN 0.484 nan 8.270 nan 0.000 0.431 509 A N 0.795 123.499 122.820 -0.193 0.000 1.902 509 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 509 A C 2.204 179.731 177.584 -0.095 0.000 1.181 509 A CA 1.579 53.539 52.037 -0.129 0.000 0.623 509 A CB -0.415 18.509 19.000 -0.127 0.000 0.818 509 A HN 0.331 nan 8.150 nan 0.000 0.443 510 R N -0.474 119.964 120.500 -0.102 0.000 2.073 510 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 510 R C 2.056 178.338 176.300 -0.029 0.000 1.134 510 R CA 1.484 57.548 56.100 -0.060 0.000 0.952 510 R CB -0.562 29.704 30.300 -0.056 0.000 0.850 510 R HN 0.547 nan 8.270 nan 0.000 0.433 511 L N 0.043 121.246 121.223 -0.034 0.000 2.046 511 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 511 L C 2.146 179.023 176.870 0.011 0.000 1.077 511 L CA 1.137 55.987 54.840 0.017 0.000 0.747 511 L CB -0.378 41.696 42.059 0.025 0.000 0.896 511 L HN 0.211 nan 8.230 nan 0.000 0.432 512 L N -1.222 119.990 121.223 -0.019 0.000 2.131 512 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 512 L C 2.586 179.450 176.870 -0.010 0.000 1.092 512 L CA 0.852 55.682 54.840 -0.016 0.000 0.759 512 L CB -0.384 41.652 42.059 -0.038 0.000 0.903 512 L HN 0.163 nan 8.230 nan 0.000 0.435 513 S N -1.001 114.690 115.700 -0.015 0.000 2.453 513 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 513 S C 1.906 176.509 174.600 0.004 0.000 1.005 513 S CA 0.733 58.928 58.200 -0.010 0.000 0.949 513 S CB -0.034 63.156 63.200 -0.017 0.000 0.774 513 S HN 0.417 nan 8.310 nan 0.000 0.510 514 Q N 0.377 120.186 119.800 0.015 0.000 2.230 514 Q HA 0.134 4.474 4.340 -0.000 0.000 0.202 514 Q C 1.386 177.404 176.000 0.030 0.000 0.963 514 Q CA 0.705 56.525 55.803 0.029 0.000 0.866 514 Q CB -0.391 28.376 28.738 0.049 0.000 0.931 514 Q HN 0.554 nan 8.270 nan 0.000 0.452 515 G N -0.345 108.471 108.800 0.027 0.000 2.796 515 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.226 515 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.226 515 G C 0.412 175.334 174.900 0.038 0.000 1.381 515 G CA -0.085 45.032 45.100 0.027 0.000 0.867 515 G HN 0.717 nan 8.290 nan 0.000 0.552 516 G N -0.757 108.063 108.800 0.033 0.000 2.582 516 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.288 516 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.288 516 G C 0.980 175.907 174.900 0.044 0.000 1.247 516 G CA 1.377 46.499 45.100 0.037 0.000 0.972 516 G HN 1.694 nan 8.290 nan 0.000 0.557 517 R N 0.588 121.119 120.500 0.051 0.000 2.148 517 R HA 0.305 4.645 4.340 -0.000 0.000 0.227 517 R C 3.098 179.452 176.300 0.089 0.000 1.103 517 R CA 2.119 58.254 56.100 0.059 0.000 0.983 517 R CB -0.625 29.714 30.300 0.064 0.000 0.874 517 R HN 0.780 nan 8.270 nan 0.000 0.451 518 A N 0.963 123.844 122.820 0.103 0.000 1.902 518 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 518 A C 2.325 179.966 177.584 0.095 0.000 1.181 518 A CA 1.624 53.740 52.037 0.133 0.000 0.623 518 A CB -0.767 18.309 19.000 0.127 0.000 0.818 518 A HN 0.361 nan 8.150 nan 0.000 0.443 519 A N -0.931 121.928 122.820 0.066 0.000 1.969 519 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 519 A C 2.257 179.879 177.584 0.063 0.000 1.169 519 A CA 2.177 54.243 52.037 0.048 0.000 0.635 519 A CB -1.141 17.879 19.000 0.035 0.000 0.810 519 A HN 0.437 nan 8.150 nan 0.000 0.445 520 T N -0.846 113.753 114.554 0.075 0.000 2.821 520 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 520 T C 1.888 176.646 174.700 0.096 0.000 1.046 520 T CA 1.475 63.639 62.100 0.106 0.000 1.139 520 T CB -0.665 68.210 68.868 0.012 0.000 0.871 520 T HN 0.572 nan 8.240 nan 0.000 0.454 521 C N 1.464 120.795 119.300 0.052 0.000 2.429 521 C HA 0.039 4.499 4.460 -0.000 0.000 0.277 521 C C 3.130 178.123 174.990 0.006 0.000 1.262 521 C CA 0.539 59.550 59.018 -0.012 0.000 1.733 521 C CB -1.519 26.223 27.740 0.004 0.000 2.010 521 C HN 0.726 nan 8.230 nan 0.000 0.483 522 G N 0.054 108.892 108.800 0.064 0.000 2.421 522 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 522 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 522 G C 1.645 176.577 174.900 0.054 0.000 1.171 522 G CA 1.124 46.284 45.100 0.099 0.000 0.775 522 G HN 0.633 nan 8.290 nan 0.000 0.543 523 K N -0.924 119.479 120.400 0.005 0.000 2.025 523 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 523 K C 2.207 178.659 176.600 -0.248 0.000 1.049 523 K CA 1.208 57.426 56.287 -0.115 0.000 0.933 523 K CB -0.235 32.195 32.500 -0.116 0.000 0.714 523 K HN 0.414 nan 8.250 nan 0.000 0.438 524 Y N 0.488 120.619 120.300 -0.281 0.000 2.262 524 Y HA 0.046 4.596 4.550 -0.000 0.000 0.295 524 Y C 1.965 177.600 175.900 -0.442 0.000 1.121 524 Y CA 0.651 58.410 58.100 -0.568 0.000 1.144 524 Y CB -0.024 37.821 38.460 -1.024 0.000 1.043 524 Y HN -0.073 nan 8.280 nan 0.000 0.528 525 L N -1.702 119.405 121.223 -0.193 0.000 2.291 525 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 525 L C 0.500 177.122 176.870 -0.413 0.000 1.120 525 L CA 1.240 55.922 54.840 -0.263 0.000 0.799 525 L CB -0.290 41.423 42.059 -0.577 0.000 0.925 525 L HN 0.169 nan 8.230 nan 0.000 0.446 526 F N -1.610 118.299 119.950 -0.068 0.000 2.764 526 F HA 0.193 4.720 4.527 0.000 0.000 0.310 526 F C 1.504 177.014 175.800 -0.485 0.000 1.124 526 F CA -0.426 57.340 58.000 -0.391 0.000 1.252 526 F CB -0.394 38.376 39.000 -0.384 0.000 1.010 526 F HN -0.099 nan 8.300 nan 0.000 0.518 527 N N 1.017 119.651 118.700 -0.109 0.000 2.381 527 N HA -0.174 4.566 4.740 -0.000 0.000 0.182 527 N C 2.004 177.498 175.510 -0.026 0.000 1.025 527 N CA 1.485 54.484 53.050 -0.085 0.000 0.888 527 N CB -0.152 38.301 38.487 -0.056 0.000 0.965 527 N HN 0.524 nan 8.380 nan 0.000 0.438 528 W N -0.163 121.186 121.300 0.081 0.000 2.392 528 W HA 0.068 4.728 4.660 0.000 0.000 0.279 528 W C 1.466 178.046 176.519 0.102 0.000 1.225 528 W CA 0.750 58.150 57.345 0.092 0.000 1.233 528 W CB -0.967 28.558 29.460 0.108 0.000 1.122 528 W HN 0.047 nan 8.180 nan 0.000 0.561 529 A N 1.895 124.335 122.820 -0.634 0.000 1.929 529 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 529 A C 1.409 178.872 177.584 -0.201 0.000 1.176 529 A CA 1.662 53.332 52.037 -0.611 0.000 0.628 529 A CB -1.172 17.281 19.000 -0.912 0.000 0.816 529 A HN 0.152 nan 8.150 nan 0.000 0.444 530 V N -1.566 118.248 119.914 -0.167 0.000 2.834 530 V HA 0.295 4.415 4.120 -0.000 0.000 0.301 530 V C 1.049 177.123 176.094 -0.033 0.000 1.066 530 V CA -0.077 62.167 62.300 -0.092 0.000 1.052 530 V CB 1.192 32.955 31.823 -0.100 0.000 1.021 530 V HN 0.613 nan 8.190 nan 0.000 0.480 531 K N 1.503 121.890 120.400 -0.022 0.000 2.167 531 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 531 K C 0.503 177.093 176.600 -0.017 0.000 1.052 531 K CA 1.030 57.314 56.287 -0.005 0.000 0.956 531 K CB -0.235 32.264 32.500 -0.001 0.000 0.735 531 K HN 0.685 nan 8.250 nan 0.000 0.451 532 T N 2.192 116.729 114.554 -0.028 0.000 2.874 532 T HA 0.306 4.656 4.350 -0.000 0.000 0.321 532 T C -0.824 173.852 174.700 -0.041 0.000 1.075 532 T CA -0.824 61.257 62.100 -0.032 0.000 0.966 532 T CB 1.347 70.196 68.868 -0.031 0.000 1.001 532 T HN 0.012 nan 8.240 nan 0.000 0.476 533 K N 2.235 122.612 120.400 -0.037 0.000 2.138 533 K HA 0.548 4.868 4.320 -0.000 0.000 0.251 533 K C 0.242 176.808 176.600 -0.058 0.000 1.015 533 K CA -0.449 55.811 56.287 -0.045 0.000 0.917 533 K CB 0.548 33.033 32.500 -0.025 0.000 1.021 533 K HN 0.428 nan 8.250 nan 0.000 0.485 534 L N 1.903 123.075 121.223 -0.085 0.000 2.544 534 L HA 0.289 4.629 4.340 -0.000 0.000 0.256 534 L C 1.797 178.609 176.870 -0.095 0.000 1.097 534 L CA -0.686 54.094 54.840 -0.100 0.000 0.812 534 L CB 0.474 42.447 42.059 -0.144 0.000 1.440 534 L HN 0.681 nan 8.230 nan 0.000 0.496 535 K N 1.088 121.433 120.400 -0.092 0.000 2.062 535 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 535 K C 0.217 176.778 176.600 -0.066 0.000 1.051 535 K CA 0.785 57.037 56.287 -0.059 0.000 0.941 535 K CB -0.380 32.099 32.500 -0.035 0.000 0.719 535 K HN 0.507 nan 8.250 nan 0.000 0.440 536 L N 2.211 123.340 121.223 -0.157 0.000 2.785 536 L HA -0.163 4.177 4.340 -0.000 0.000 0.590 536 L C -0.420 176.498 176.870 0.078 0.000 1.000 536 L CA 0.641 55.374 54.840 -0.177 0.000 1.306 536 L CB -1.684 40.307 42.059 -0.113 0.000 1.738 536 L HN 0.652 nan 8.230 nan 0.000 0.846 537 T N 0.864 115.547 114.554 0.216 0.000 2.916 537 T HA 0.811 5.161 4.350 -0.000 0.000 0.292 537 T C -2.670 172.174 174.700 0.241 0.000 1.055 537 T CA -2.239 59.983 62.100 0.203 0.000 1.009 537 T CB 2.372 71.315 68.868 0.125 0.000 1.118 537 T HN 0.232 nan 8.240 nan 0.000 0.497 538 P HA 0.252 nan 4.420 nan 0.000 0.265 538 P C -0.673 176.634 177.300 0.013 0.000 1.187 538 P CA -0.139 63.003 63.100 0.070 0.000 0.766 538 P CB 0.175 31.905 31.700 0.050 0.000 0.820 539 I N 5.720 126.252 120.570 -0.063 0.000 2.342 539 I HA 0.168 4.338 4.170 -0.000 0.000 0.291 539 I C -1.247 174.836 176.117 -0.057 0.000 1.010 539 I CA -1.908 59.329 61.300 -0.105 0.000 1.308 539 I CB 1.421 39.291 38.000 -0.217 0.000 1.400 539 I HN 0.326 nan 8.210 nan 0.000 0.488 540 P HA -0.146 nan 4.420 nan 0.000 0.218 540 P C 1.237 178.518 177.300 -0.032 0.000 1.149 540 P CA 0.817 63.902 63.100 -0.025 0.000 0.817 540 P CB 0.259 31.950 31.700 -0.015 0.000 0.785 541 A N -0.272 122.524 122.820 -0.041 0.000 2.119 541 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 541 A C 2.219 179.773 177.584 -0.050 0.000 1.153 541 A CA 1.282 53.296 52.037 -0.040 0.000 0.692 541 A CB -1.225 17.753 19.000 -0.036 0.000 0.799 541 A HN 0.182 nan 8.150 nan 0.000 0.458 542 A N 0.661 123.445 122.820 -0.058 0.000 1.902 542 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 542 A C 2.425 179.966 177.584 -0.072 0.000 1.181 542 A CA 2.130 54.127 52.037 -0.067 0.000 0.623 542 A CB -0.883 18.081 19.000 -0.060 0.000 0.818 542 A HN 0.970 nan 8.150 nan 0.000 0.443 543 S N -1.095 114.570 115.700 -0.057 0.000 2.515 543 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 543 S C 1.805 176.371 174.600 -0.058 0.000 0.987 543 S CA 1.091 59.257 58.200 -0.056 0.000 0.936 543 S CB -0.191 62.985 63.200 -0.039 0.000 0.766 543 S HN 0.678 nan 8.310 nan 0.000 0.528 544 Q N 0.219 119.986 119.800 -0.055 0.000 2.269 544 Q HA 0.261 4.601 4.340 -0.000 0.000 0.201 544 Q C 0.071 176.034 176.000 -0.061 0.000 0.946 544 Q CA 0.151 55.925 55.803 -0.048 0.000 0.877 544 Q CB -0.014 28.703 28.738 -0.035 0.000 0.963 544 Q HN 0.563 nan 8.270 nan 0.000 0.472 545 L N 2.025 123.198 121.223 -0.084 0.000 2.416 545 L HA 0.061 4.401 4.340 -0.000 0.000 0.272 545 L C -0.065 176.714 176.870 -0.152 0.000 1.161 545 L CA -0.367 54.407 54.840 -0.111 0.000 0.845 545 L CB 0.469 42.445 42.059 -0.139 0.000 1.119 545 L HN 0.027 nan 8.230 nan 0.000 0.464 546 D N 3.563 123.881 120.400 -0.136 0.000 2.422 546 D HA 0.157 4.797 4.640 -0.000 0.000 0.227 546 D C 0.272 176.412 176.300 -0.266 0.000 1.190 546 D CA -0.133 53.780 54.000 -0.144 0.000 0.905 546 D CB 1.028 41.786 40.800 -0.069 0.000 1.034 546 D HN 0.245 nan 8.370 nan 0.000 0.507 547 L N 2.407 123.399 121.223 -0.385 0.000 2.667 547 L HA 0.112 4.452 4.340 -0.000 0.000 0.232 547 L C 0.786 177.423 176.870 -0.388 0.000 1.138 547 L CA 0.054 54.460 54.840 -0.724 0.000 0.921 547 L CB -0.318 41.277 42.059 -0.774 0.000 1.180 547 L HN 0.255 nan 8.230 nan 0.000 0.487 548 S N -0.995 114.605 115.700 -0.166 0.000 2.528 548 S HA 0.541 5.011 4.470 -0.000 0.000 0.277 548 S C 1.254 175.870 174.600 0.028 0.000 1.297 548 S CA 0.085 58.260 58.200 -0.041 0.000 1.052 548 S CB 1.193 64.376 63.200 -0.029 0.000 0.917 548 S HN 0.491 nan 8.310 nan 0.000 0.492 549 G N 2.305 111.152 108.800 0.080 0.000 2.232 549 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.226 549 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.226 549 G C 0.504 175.541 174.900 0.229 0.000 0.996 549 G CA 0.145 45.304 45.100 0.099 0.000 0.626 549 G HN 0.657 nan 8.290 nan 0.000 0.509 550 W N 0.464 121.626 121.300 -0.229 0.000 2.379 550 W HA 0.440 5.100 4.660 -0.000 0.000 0.307 550 W C 1.154 177.226 176.519 -0.745 0.000 1.200 550 W CA 1.349 58.285 57.345 -0.682 0.000 1.297 550 W CB -0.357 28.406 29.460 -1.162 0.000 1.140 550 W HN 0.208 nan 8.180 nan 0.000 0.507 551 F N -0.784 119.350 119.950 0.305 0.000 2.523 551 F HA 0.328 4.855 4.527 0.000 0.000 0.322 551 F C 0.481 176.426 175.800 0.242 0.000 1.361 551 F CA -0.497 57.689 58.000 0.311 0.000 1.151 551 F CB -0.234 38.903 39.000 0.228 0.000 1.391 551 F HN -0.396 nan 8.300 nan 0.000 0.566 552 V N -0.101 120.025 119.914 0.352 0.000 2.948 552 V HA 0.626 4.746 4.120 -0.000 0.000 0.234 552 V C 0.882 177.126 176.094 0.249 0.000 1.205 552 V CA 0.601 63.048 62.300 0.244 0.000 1.234 552 V CB 0.459 32.397 31.823 0.191 0.000 1.020 552 V HN 0.412 nan 8.190 nan 0.000 0.491 553 A N -0.608 122.332 122.820 0.199 0.000 2.593 553 A HA 0.798 5.118 4.320 -0.000 0.000 0.290 553 A C -0.260 177.037 177.584 -0.478 0.000 1.126 553 A CA 0.071 52.082 52.037 -0.043 0.000 0.695 553 A CB 1.195 20.028 19.000 -0.278 0.000 1.290 553 A HN 0.422 nan 8.150 nan 0.000 0.414 554 G N -1.296 106.925 108.800 -0.965 0.000 2.367 554 G HA2 0.536 4.496 3.960 -0.000 0.000 0.314 554 G HA3 0.536 4.496 3.960 -0.000 0.000 0.314 554 G C -0.870 173.417 174.900 -1.022 0.000 1.130 554 G CA -0.063 44.162 45.100 -1.459 0.000 0.864 554 G HN 0.585 nan 8.290 nan 0.000 0.486 555 Y N 0.724 120.834 120.300 -0.316 0.000 2.779 555 Y HA 0.197 4.747 4.550 0.000 0.000 0.251 555 Y C 1.430 177.260 175.900 -0.116 0.000 1.145 555 Y CA -0.689 57.319 58.100 -0.154 0.000 1.201 555 Y CB 0.244 38.644 38.460 -0.099 0.000 1.281 555 Y HN 0.578 nan 8.280 nan 0.000 0.563 556 S N 0.201 115.878 115.700 -0.038 0.000 2.544 556 S HA 0.345 4.815 4.470 -0.000 0.000 0.290 556 S C 1.486 176.106 174.600 0.034 0.000 1.276 556 S CA 0.577 58.781 58.200 0.008 0.000 1.075 556 S CB 0.716 63.923 63.200 0.012 0.000 0.849 556 S HN 0.986 nan 8.310 nan 0.000 0.494 557 G N 2.810 111.634 108.800 0.039 0.000 2.179 557 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.260 557 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.260 557 G C 0.768 175.705 174.900 0.061 0.000 0.977 557 G CA 0.139 45.270 45.100 0.052 0.000 0.641 557 G HN 1.539 nan 8.290 nan 0.000 0.533 558 G N -0.119 108.721 108.800 0.067 0.000 3.042 558 G HA2 0.392 4.352 3.960 -0.000 0.000 0.212 558 G HA3 0.392 4.352 3.960 -0.000 0.000 0.212 558 G C 0.467 175.397 174.900 0.050 0.000 1.166 558 G CA 1.149 46.306 45.100 0.095 0.000 0.767 558 G HN 1.220 nan 8.290 nan 0.000 0.546 559 D N -0.375 120.022 120.400 -0.004 0.000 2.705 559 D HA -0.164 4.476 4.640 -0.000 0.000 0.240 559 D C -0.149 176.097 176.300 -0.090 0.000 1.137 559 D CA 0.351 54.323 54.000 -0.047 0.000 0.677 559 D CB -1.179 39.608 40.800 -0.022 0.000 1.049 559 D HN 0.111 nan 8.370 nan 0.000 0.427 560 I N 1.525 122.001 120.570 -0.155 0.000 2.404 560 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 560 I C -0.111 175.767 176.117 -0.398 0.000 0.992 560 I CA -0.766 60.334 61.300 -0.333 0.000 1.149 560 I CB 1.179 38.854 38.000 -0.542 0.000 1.315 560 I HN 0.100 nan 8.210 nan 0.000 0.446 561 Y N 5.853 125.830 120.300 -0.538 0.000 2.350 561 Y HA 0.418 4.968 4.550 0.000 0.000 0.338 561 Y C -0.600 174.997 175.900 -0.506 0.000 0.961 561 Y CA -0.542 57.264 58.100 -0.490 0.000 1.100 561 Y CB 1.104 39.389 38.460 -0.291 0.000 1.179 561 Y HN 0.527 nan 8.280 nan 0.000 0.454 562 H N 4.261 122.753 119.070 -0.963 0.000 2.539 562 H HA 0.580 5.136 4.556 -0.000 0.000 0.247 562 H C -0.697 174.206 175.328 -0.708 0.000 1.363 562 H CA -0.415 55.184 56.048 -0.748 0.000 1.371 562 H CB 0.775 30.093 29.762 -0.740 0.000 1.438 562 H HN 0.598 nan 8.280 nan 0.000 0.523 563 S N 0.000 115.402 115.700 -0.496 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.045 58.200 -0.258 0.000 1.107 563 S CB 0.000 62.964 63.200 -0.394 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517