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 3e51_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 KNEVFCVQXX DATA SEQUENCE XXXRKPARLI 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 YH 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 0.000 174.569 174.600 -0.051 0.000 1.055 1 S CA 0.000 58.177 58.200 -0.038 0.000 1.107 1 S CB 0.000 63.169 63.200 -0.051 0.000 0.593 2 M N 3.104 122.665 119.600 -0.064 0.000 2.228 2 M HA 0.270 4.750 4.480 0.000 0.000 0.351 2 M C 1.937 178.121 176.300 -0.193 0.000 1.233 2 M CA 0.063 55.308 55.300 -0.091 0.000 1.129 2 M CB 0.594 33.155 32.600 -0.065 0.000 1.604 2 M HN 1.056 nan 8.290 nan 0.000 0.457 3 S N 2.776 118.299 115.700 -0.295 0.000 2.374 3 S HA -0.130 4.340 4.470 0.000 0.000 0.227 3 S C 0.146 174.308 174.600 -0.730 0.000 1.037 3 S CA 1.120 59.020 58.200 -0.501 0.000 1.024 3 S CB -0.272 62.562 63.200 -0.611 0.000 0.861 3 S HN 0.649 nan 8.310 nan 0.000 0.456 4 Y N 0.035 120.125 120.300 -0.349 0.000 2.534 4 Y HA 0.558 5.108 4.550 0.000 0.000 0.345 4 Y C -0.192 175.344 175.900 -0.606 0.000 1.031 4 Y CA -0.979 56.760 58.100 -0.602 0.000 1.022 4 Y CB 2.121 39.977 38.460 -1.007 0.000 1.292 4 Y HN -0.135 nan 8.280 nan 0.000 0.459 5 T N 1.849 116.136 114.554 -0.445 0.000 2.829 5 T HA 0.433 4.783 4.350 0.000 0.000 0.280 5 T C -1.251 173.203 174.700 -0.411 0.000 0.999 5 T CA -0.766 61.139 62.100 -0.326 0.000 0.983 5 T CB 0.568 69.374 68.868 -0.105 0.000 0.968 5 T HN 0.461 nan 8.240 nan 0.000 0.446 6 W N 0.990 122.348 121.300 0.096 0.000 2.689 6 W HA 0.414 5.074 4.660 0.000 0.000 0.340 6 W C 1.428 177.977 176.519 0.049 0.000 1.060 6 W CA -1.004 56.380 57.345 0.066 0.000 1.218 6 W CB 1.184 30.666 29.460 0.037 0.000 1.410 6 W HN 0.765 nan 8.180 nan 0.000 0.528 7 T N -2.330 112.407 114.554 0.305 0.000 3.051 7 T HA 0.302 4.653 4.350 0.000 0.000 0.255 7 T C 1.478 176.261 174.700 0.138 0.000 1.085 7 T CA 0.836 63.040 62.100 0.174 0.000 1.109 7 T CB 0.049 68.997 68.868 0.133 0.000 0.921 7 T HN 1.181 nan 8.240 nan 0.000 0.488 8 G N 1.387 110.274 108.800 0.145 0.000 2.232 8 G HA2 -0.007 3.953 3.960 0.000 0.000 0.226 8 G HA3 -0.007 3.953 3.960 0.000 0.000 0.226 8 G C 0.373 175.292 174.900 0.032 0.000 0.996 8 G CA -0.146 44.992 45.100 0.063 0.000 0.626 8 G HN 1.150 nan 8.290 nan 0.000 0.509 9 A N 1.071 123.924 122.820 0.055 0.000 2.511 9 A HA 0.614 4.934 4.320 0.000 0.000 0.242 9 A C 0.856 178.442 177.584 0.004 0.000 1.069 9 A CA 0.215 52.272 52.037 0.033 0.000 0.763 9 A CB 0.153 19.183 19.000 0.050 0.000 1.001 9 A HN 0.875 nan 8.150 nan 0.000 0.498 10 L N 2.118 123.330 121.223 -0.018 0.000 2.436 10 L HA 0.229 4.569 4.340 0.000 0.000 0.265 10 L C 0.162 177.007 176.870 -0.042 0.000 1.168 10 L CA -0.252 54.557 54.840 -0.050 0.000 0.815 10 L CB 0.560 42.595 42.059 -0.040 0.000 1.109 10 L HN 0.564 nan 8.230 nan 0.000 0.462 11 I N 1.492 122.017 120.570 -0.074 0.000 2.452 11 I HA 0.084 4.254 4.170 0.000 0.000 0.287 11 I C 0.425 176.532 176.117 -0.018 0.000 1.079 11 I CA 0.098 61.373 61.300 -0.042 0.000 1.387 11 I CB 0.738 38.697 38.000 -0.068 0.000 1.404 11 I HN 0.634 nan 8.210 nan 0.000 0.522 12 T N 4.889 119.445 114.554 0.004 0.000 2.888 12 T HA 0.614 4.964 4.350 0.000 0.000 0.284 12 T C -2.536 172.180 174.700 0.026 0.000 1.017 12 T CA -2.094 60.013 62.100 0.011 0.000 1.022 12 T CB 1.928 70.802 68.868 0.010 0.000 1.013 12 T HN 0.256 nan 8.240 nan 0.000 0.465 13 P HA 0.351 nan 4.420 nan 0.000 0.278 13 P C 0.256 177.579 177.300 0.038 0.000 1.258 13 P CA -0.677 62.446 63.100 0.039 0.000 0.811 13 P CB 1.057 32.779 31.700 0.038 0.000 1.063 14 C N 0.781 120.108 119.300 0.045 0.000 2.522 14 C HA 0.318 4.778 4.460 0.000 0.000 0.280 14 C C 1.550 176.561 174.990 0.034 0.000 1.303 14 C CA 1.307 60.348 59.018 0.040 0.000 1.709 14 C CB -0.833 26.934 27.740 0.045 0.000 2.071 14 C HN 0.687 nan 8.230 nan 0.000 0.492 15 A N -0.445 122.399 122.820 0.040 0.000 2.437 15 A HA 0.778 5.099 4.320 0.000 0.000 0.288 15 A C -0.351 177.260 177.584 0.045 0.000 1.201 15 A CA 0.143 52.204 52.037 0.040 0.000 0.795 15 A CB -0.041 18.985 19.000 0.043 0.000 1.359 15 A HN 0.578 nan 8.150 nan 0.000 0.435 16 A N -0.139 122.709 122.820 0.047 0.000 2.531 16 A HA 0.458 4.779 4.320 0.000 0.000 0.236 16 A C -0.020 177.607 177.584 0.071 0.000 1.062 16 A CA 0.448 52.517 52.037 0.054 0.000 0.760 16 A CB -0.316 18.714 19.000 0.050 0.000 0.995 16 A HN 0.662 nan 8.150 nan 0.000 0.501 17 E N 1.108 121.355 120.200 0.079 0.000 2.187 17 E HA 0.314 4.664 4.350 0.000 0.000 0.268 17 E C -0.967 175.715 176.600 0.136 0.000 0.896 17 E CA -0.415 56.047 56.400 0.104 0.000 0.766 17 E CB 1.620 31.372 29.700 0.086 0.000 1.142 17 E HN 0.740 nan 8.360 nan 0.000 0.408 18 E N 1.207 121.529 120.200 0.203 0.000 2.227 18 E HA 0.111 4.462 4.350 0.000 0.000 0.282 18 E C 0.217 177.036 176.600 0.364 0.000 1.015 18 E CA -0.126 56.433 56.400 0.266 0.000 0.823 18 E CB 1.261 31.154 29.700 0.321 0.000 1.081 18 E HN 0.541 nan 8.360 nan 0.000 0.396 19 S N 2.555 118.439 115.700 0.307 0.000 2.514 19 S HA 0.095 4.565 4.470 0.000 0.000 0.223 19 S C 0.704 175.560 174.600 0.427 0.000 1.046 19 S CA -0.175 58.231 58.200 0.342 0.000 0.914 19 S CB 0.392 63.732 63.200 0.232 0.000 0.807 19 S HN 0.190 nan 8.310 nan 0.000 0.497 20 K N 1.812 122.391 120.400 0.298 0.000 2.218 20 K HA 0.312 4.632 4.320 0.000 0.000 0.276 20 K C -0.526 176.127 176.600 0.089 0.000 1.022 20 K CA -0.658 55.757 56.287 0.214 0.000 0.946 20 K CB 1.295 33.858 32.500 0.105 0.000 1.000 20 K HN 0.276 nan 8.250 nan 0.000 0.468 21 L N 5.259 126.525 121.223 0.071 0.000 2.584 21 L HA 0.053 4.393 4.340 0.000 0.000 0.272 21 L C -2.276 174.334 176.870 -0.433 0.000 1.195 21 L CA -0.704 53.984 54.840 -0.253 0.000 0.920 21 L CB -0.140 41.921 42.059 0.002 0.000 1.173 21 L HN 0.379 nan 8.230 nan 0.000 0.489 22 P HA 0.216 nan 4.420 nan 0.000 0.271 22 P C -1.004 176.063 177.300 -0.389 0.000 1.216 22 P CA -0.068 62.731 63.100 -0.502 0.000 0.776 22 P CB 0.568 31.910 31.700 -0.596 0.000 0.881 23 I N 3.046 123.444 120.570 -0.287 0.000 2.433 23 I HA 0.376 4.546 4.170 0.000 0.000 0.292 23 I C 0.474 176.477 176.117 -0.189 0.000 1.001 23 I CA -0.716 60.417 61.300 -0.277 0.000 1.119 23 I CB 1.362 39.190 38.000 -0.287 0.000 1.289 23 I HN 0.481 nan 8.210 nan 0.000 0.438 24 N N 4.235 122.837 118.700 -0.162 0.000 3.283 24 N HA 0.450 5.191 4.740 0.000 0.000 0.338 24 N C 0.427 175.889 175.510 -0.080 0.000 1.517 24 N CA -0.408 52.577 53.050 -0.110 0.000 0.733 24 N CB 0.478 38.902 38.487 -0.105 0.000 1.797 24 N HN 0.377 nan 8.380 nan 0.000 0.637 25 A N -0.707 122.077 122.820 -0.059 0.000 2.172 25 A HA 0.152 4.473 4.320 0.000 0.000 0.216 25 A C 1.657 179.221 177.584 -0.033 0.000 1.154 25 A CA 0.775 52.787 52.037 -0.041 0.000 0.701 25 A CB -0.909 18.070 19.000 -0.036 0.000 0.789 25 A HN 0.532 nan 8.150 nan 0.000 0.465 26 L N -1.638 119.562 121.223 -0.039 0.000 2.556 26 L HA 0.047 4.387 4.340 0.000 0.000 0.226 26 L C 2.420 179.312 176.870 0.036 0.000 1.089 26 L CA 0.430 55.263 54.840 -0.011 0.000 0.864 26 L CB -0.108 41.921 42.059 -0.050 0.000 1.067 26 L HN 0.210 nan 8.230 nan 0.000 0.477 27 S N 0.706 116.400 115.700 -0.010 0.000 2.353 27 S HA -0.170 4.300 4.470 0.000 0.000 0.222 27 S C 1.704 176.347 174.600 0.071 0.000 1.035 27 S CA 1.579 59.770 58.200 -0.014 0.000 1.025 27 S CB -0.297 62.799 63.200 -0.173 0.000 0.902 27 S HN 0.454 nan 8.310 nan 0.000 0.440 28 N N 1.568 120.324 118.700 0.094 0.000 2.289 28 N HA -0.070 4.670 4.740 0.000 0.000 0.184 28 N C 1.864 177.400 175.510 0.042 0.000 1.016 28 N CA 1.309 54.431 53.050 0.119 0.000 0.872 28 N CB -0.518 38.022 38.487 0.089 0.000 0.973 28 N HN 0.591 nan 8.380 nan 0.000 0.433 29 S N -0.178 115.541 115.700 0.032 0.000 2.447 29 S HA -0.062 4.408 4.470 0.000 0.000 0.233 29 S C 1.806 176.413 174.600 0.011 0.000 1.006 29 S CA 0.468 58.664 58.200 -0.007 0.000 0.957 29 S CB -0.135 63.081 63.200 0.027 0.000 0.773 29 S HN 0.242 nan 8.310 nan 0.000 0.507 30 L N -0.180 121.066 121.223 0.037 0.000 2.362 30 L HA 0.601 4.941 4.340 0.000 0.000 0.204 30 L C 0.092 177.016 176.870 0.089 0.000 1.060 30 L CA 0.769 55.628 54.840 0.031 0.000 0.827 30 L CB 0.258 42.121 42.059 -0.327 0.000 1.027 30 L HN 0.482 nan 8.230 nan 0.000 0.474 31 L N -0.972 120.291 121.223 0.067 0.000 2.588 31 L HA 0.411 4.751 4.340 0.000 0.000 0.263 31 L C 0.235 177.129 176.870 0.039 0.000 0.935 31 L CA -0.507 54.365 54.840 0.053 0.000 0.891 31 L CB 1.322 43.445 42.059 0.107 0.000 1.318 31 L HN -0.113 nan 8.230 nan 0.000 0.409 32 R N 1.267 121.647 120.500 -0.201 0.000 2.206 32 R HA 0.175 4.515 4.340 0.000 0.000 0.198 32 R C -0.009 175.980 176.300 -0.519 0.000 0.986 32 R CA 0.470 56.337 56.100 -0.389 0.000 1.029 32 R CB 0.048 30.133 30.300 -0.358 0.000 0.966 32 R HN 0.675 nan 8.270 nan 0.000 0.487 33 H N 0.388 119.338 119.070 -0.200 0.000 2.680 33 H HA 0.147 4.703 4.556 0.000 0.000 0.224 33 H C 0.588 175.906 175.328 -0.017 0.000 1.866 33 H CA -0.249 55.720 56.048 -0.132 0.000 1.302 33 H CB -0.078 29.664 29.762 -0.034 0.000 1.709 33 H HN 0.320 nan 8.280 nan 0.000 0.537 34 H N 0.824 119.983 119.070 0.148 0.000 2.422 34 H HA -0.180 4.376 4.556 0.000 0.000 0.298 34 H C 2.053 177.459 175.328 0.130 0.000 1.098 34 H CA 1.077 57.191 56.048 0.110 0.000 1.315 34 H CB 0.277 30.077 29.762 0.064 0.000 1.382 34 H HN 0.653 nan 8.280 nan 0.000 0.523 35 N N 1.024 119.853 118.700 0.215 0.000 2.519 35 N HA -0.135 4.605 4.740 0.000 0.000 0.186 35 N C 1.279 176.895 175.510 0.176 0.000 1.062 35 N CA 0.869 54.018 53.050 0.166 0.000 0.910 35 N CB -0.019 38.528 38.487 0.100 0.000 0.958 35 N HN 0.355 nan 8.380 nan 0.000 0.445 36 M N 0.654 120.371 119.600 0.195 0.000 2.506 36 M HA 0.150 4.631 4.480 0.000 0.000 0.260 36 M C 0.249 176.721 176.300 0.287 0.000 1.104 36 M CA 0.187 55.610 55.300 0.205 0.000 1.112 36 M CB -0.000 32.710 32.600 0.183 0.000 1.401 36 M HN -0.121 nan 8.290 nan 0.000 0.473 37 V N 1.609 121.703 119.914 0.299 0.000 2.427 37 V HA 0.309 4.429 4.120 0.000 0.000 0.286 37 V C -0.701 175.650 176.094 0.427 0.000 1.034 37 V CA -0.740 61.752 62.300 0.319 0.000 0.893 37 V CB 0.864 32.854 31.823 0.279 0.000 0.982 37 V HN 0.387 nan 8.190 nan 0.000 0.452 38 Y N 2.709 123.163 120.300 0.257 0.000 2.588 38 Y HA 0.910 5.460 4.550 0.000 0.000 0.343 38 Y C -0.438 175.544 175.900 0.137 0.000 1.065 38 Y CA -1.505 56.751 58.100 0.260 0.000 1.038 38 Y CB 1.564 40.140 38.460 0.193 0.000 1.297 38 Y HN 0.682 nan 8.280 nan 0.000 0.467 39 A N 1.740 124.616 122.820 0.094 0.000 2.330 39 A HA 0.650 4.971 4.320 0.000 0.000 0.327 39 A C 0.001 177.655 177.584 0.116 0.000 1.155 39 A CA -0.370 51.528 52.037 -0.231 0.000 0.803 39 A CB 0.336 18.953 19.000 -0.639 0.000 1.208 39 A HN 1.103 nan 8.150 nan 0.000 0.477 40 T N 0.277 114.893 114.554 0.103 0.000 2.926 40 T HA 0.502 4.852 4.350 0.000 0.000 0.307 40 T C 0.378 175.134 174.700 0.093 0.000 1.059 40 T CA 0.474 62.688 62.100 0.189 0.000 1.122 40 T CB 0.462 69.460 68.868 0.217 0.000 0.972 40 T HN 1.461 nan 8.240 nan 0.000 0.545 41 T N -1.652 112.963 114.554 0.102 0.000 2.883 41 T HA 0.485 4.836 4.350 0.000 0.000 0.296 41 T C 1.423 176.155 174.700 0.053 0.000 1.117 41 T CA -0.264 61.878 62.100 0.071 0.000 1.006 41 T CB 1.408 70.324 68.868 0.080 0.000 1.191 41 T HN 0.837 nan 8.240 nan 0.000 0.508 42 S N 0.624 116.348 115.700 0.040 0.000 2.441 42 S HA -0.208 4.262 4.470 0.000 0.000 0.242 42 S C 1.816 176.420 174.600 0.006 0.000 1.018 42 S CA 0.888 59.100 58.200 0.020 0.000 0.988 42 S CB -0.630 62.581 63.200 0.019 0.000 0.778 42 S HN 0.696 nan 8.310 nan 0.000 0.498 43 R N 1.753 122.264 120.500 0.019 0.000 2.285 43 R HA 0.093 4.433 4.340 0.000 0.000 0.213 43 R C 2.228 178.526 176.300 -0.002 0.000 1.068 43 R CA 1.105 57.209 56.100 0.008 0.000 1.004 43 R CB -0.505 29.808 30.300 0.022 0.000 0.873 43 R HN 0.759 nan 8.270 nan 0.000 0.467 44 S N -2.007 113.696 115.700 0.005 0.000 2.554 44 S HA 0.303 4.773 4.470 0.000 0.000 0.226 44 S C 1.722 176.304 174.600 -0.029 0.000 0.980 44 S CA 0.072 58.268 58.200 -0.005 0.000 0.939 44 S CB 0.801 64.013 63.200 0.020 0.000 0.832 44 S HN 0.200 nan 8.310 nan 0.000 0.486 45 A N 2.158 124.951 122.820 -0.045 0.000 1.940 45 A HA 0.158 4.479 4.320 0.000 0.000 0.219 45 A C 2.260 179.751 177.584 -0.155 0.000 1.176 45 A CA 1.592 53.578 52.037 -0.085 0.000 0.631 45 A CB -1.660 17.285 19.000 -0.093 0.000 0.814 45 A HN 0.659 nan 8.150 nan 0.000 0.446 46 G N -0.059 108.646 108.800 -0.158 0.000 2.442 46 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 46 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 46 G C 1.488 176.299 174.900 -0.149 0.000 1.141 46 G CA 1.073 46.054 45.100 -0.198 0.000 0.763 46 G HN 0.459 nan 8.290 nan 0.000 0.554 47 L N -0.306 120.864 121.223 -0.089 0.000 2.093 47 L HA -0.028 4.312 4.340 0.000 0.000 0.208 47 L C 2.898 179.744 176.870 -0.039 0.000 1.085 47 L CA 1.354 56.163 54.840 -0.052 0.000 0.755 47 L CB -0.437 41.604 42.059 -0.030 0.000 0.904 47 L HN 0.189 nan 8.230 nan 0.000 0.435 48 R N 0.677 121.147 120.500 -0.050 0.000 2.075 48 R HA -0.142 4.198 4.340 0.000 0.000 0.232 48 R C 2.256 178.534 176.300 -0.037 0.000 1.126 48 R CA 1.461 57.548 56.100 -0.022 0.000 0.963 48 R CB -0.375 29.915 30.300 -0.016 0.000 0.858 48 R HN 0.346 nan 8.270 nan 0.000 0.435 49 Q N 0.165 119.867 119.800 -0.162 0.000 2.112 49 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 49 Q C 2.018 178.010 176.000 -0.014 0.000 0.987 49 Q CA 2.059 57.712 55.803 -0.250 0.000 0.858 49 Q CB -0.216 28.051 28.738 -0.786 0.000 0.905 49 Q HN 0.294 nan 8.270 nan 0.000 0.420 50 K N 1.052 121.434 120.400 -0.030 0.000 2.020 50 K HA -0.216 4.104 4.320 0.000 0.000 0.212 50 K C 1.860 178.551 176.600 0.152 0.000 1.050 50 K CA 1.613 57.938 56.287 0.064 0.000 0.929 50 K CB 0.062 32.577 32.500 0.024 0.000 0.714 50 K HN 0.077 nan 8.250 nan 0.000 0.443 51 K N 0.130 120.612 120.400 0.136 0.000 2.148 51 K HA -0.082 4.239 4.320 0.000 0.000 0.204 51 K C 1.807 178.619 176.600 0.354 0.000 1.050 51 K CA 1.370 57.775 56.287 0.196 0.000 0.942 51 K CB 0.077 32.660 32.500 0.137 0.000 0.724 51 K HN 0.190 nan 8.250 nan 0.000 0.446 52 V N -1.511 118.586 119.914 0.305 0.000 3.649 52 V HA 0.085 4.205 4.120 0.000 0.000 0.275 52 V C 0.207 176.400 176.094 0.165 0.000 1.281 52 V CA 0.046 62.543 62.300 0.329 0.000 1.143 52 V CB -0.044 31.934 31.823 0.257 0.000 0.892 52 V HN -0.049 nan 8.190 nan 0.000 0.441 53 T N 4.300 119.024 114.554 0.283 0.000 2.801 53 T HA 0.735 5.085 4.350 0.000 0.000 0.306 53 T C -0.766 174.077 174.700 0.238 0.000 1.020 53 T CA -0.056 62.178 62.100 0.223 0.000 0.948 53 T CB 0.211 69.342 68.868 0.438 0.000 0.962 53 T HN 0.610 nan 8.240 nan 0.000 0.465 54 F N -0.241 119.798 119.950 0.149 0.000 2.741 54 F HA 0.675 5.202 4.527 0.000 0.000 0.313 54 F C -0.980 174.848 175.800 0.046 0.000 1.153 54 F CA -1.668 56.384 58.000 0.087 0.000 0.931 54 F CB 0.763 39.808 39.000 0.075 0.000 1.335 54 F HN 0.212 nan 8.300 nan 0.000 0.460 55 D N 0.638 121.208 120.400 0.285 0.000 2.302 55 D HA 0.471 5.111 4.640 0.000 0.000 0.248 55 D C -0.929 175.503 176.300 0.220 0.000 1.094 55 D CA -0.042 54.052 54.000 0.157 0.000 0.897 55 D CB 0.954 41.815 40.800 0.101 0.000 1.200 55 D HN 0.569 nan 8.370 nan 0.000 0.429 56 R N 2.220 122.789 120.500 0.115 0.000 2.387 56 R HA 0.577 4.917 4.340 0.000 0.000 0.314 56 R C -0.823 175.504 176.300 0.044 0.000 0.958 56 R CA -0.512 55.652 56.100 0.106 0.000 0.846 56 R CB 1.199 31.535 30.300 0.061 0.000 1.147 56 R HN 0.397 nan 8.270 nan 0.000 0.447 57 L N 1.864 123.109 121.223 0.036 0.000 2.334 57 L HA 0.565 4.905 4.340 0.000 0.000 0.273 57 L C -0.352 176.514 176.870 -0.007 0.000 1.013 57 L CA -0.745 54.099 54.840 0.006 0.000 0.816 57 L CB 2.010 44.070 42.059 0.002 0.000 1.278 57 L HN 0.453 nan 8.230 nan 0.000 0.431 58 Q N 1.485 121.270 119.800 -0.024 0.000 2.271 58 Q HA 0.543 4.884 4.340 0.000 0.000 0.268 58 Q C -1.857 174.113 176.000 -0.049 0.000 1.021 58 Q CA -0.483 55.297 55.803 -0.038 0.000 0.802 58 Q CB 2.968 31.668 28.738 -0.063 0.000 1.282 58 Q HN 0.407 nan 8.270 nan 0.000 0.431 59 V N 5.473 125.365 119.914 -0.036 0.000 2.349 59 V HA 0.426 4.546 4.120 0.000 0.000 0.284 59 V C -0.666 175.434 176.094 0.010 0.000 1.014 59 V CA -0.539 61.741 62.300 -0.032 0.000 0.826 59 V CB 1.264 33.064 31.823 -0.038 0.000 1.009 59 V HN 0.673 nan 8.190 nan 0.000 0.431 60 L N 5.642 126.831 121.223 -0.056 0.000 2.296 60 L HA 0.662 5.002 4.340 0.000 0.000 0.286 60 L C -0.092 176.796 176.870 0.030 0.000 1.023 60 L CA -0.496 54.278 54.840 -0.109 0.000 0.812 60 L CB 1.588 43.389 42.059 -0.431 0.000 1.223 60 L HN 0.685 nan 8.230 nan 0.000 0.421 61 D N 0.493 120.987 120.400 0.156 0.000 2.627 61 D HA 0.149 4.789 4.640 0.000 0.000 0.259 61 D C 0.206 176.572 176.300 0.110 0.000 1.164 61 D CA -0.566 53.504 54.000 0.116 0.000 1.087 61 D CB 0.820 41.693 40.800 0.122 0.000 1.217 61 D HN 0.338 nan 8.370 nan 0.000 0.630 62 D N -1.157 119.246 120.400 0.006 0.000 2.144 62 D HA -0.142 4.498 4.640 0.000 0.000 0.200 62 D C 1.773 178.076 176.300 0.006 0.000 0.978 62 D CA 1.044 55.024 54.000 -0.034 0.000 0.833 62 D CB -0.067 40.662 40.800 -0.118 0.000 0.961 62 D HN 0.399 nan 8.370 nan 0.000 0.470 63 H N 0.025 119.154 119.070 0.098 0.000 2.319 63 H HA -0.169 4.387 4.556 0.000 0.000 0.299 63 H C 2.029 177.381 175.328 0.039 0.000 1.092 63 H CA 0.998 57.094 56.048 0.079 0.000 1.302 63 H CB -0.796 29.038 29.762 0.121 0.000 1.373 63 H HN 0.325 nan 8.280 nan 0.000 0.497 64 Y N 1.820 122.144 120.300 0.041 0.000 2.070 64 Y HA -0.256 4.294 4.550 0.000 0.000 0.280 64 Y C 2.769 178.612 175.900 -0.095 0.000 1.148 64 Y CA 1.821 59.815 58.100 -0.177 0.000 1.125 64 Y CB -0.152 38.102 38.460 -0.343 0.000 0.975 64 Y HN -0.042 nan 8.280 nan 0.000 0.492 65 R N 0.029 120.576 120.500 0.079 0.000 2.092 65 R HA -0.151 4.190 4.340 0.000 0.000 0.231 65 R C 1.789 178.055 176.300 -0.056 0.000 1.119 65 R CA 1.424 57.520 56.100 -0.006 0.000 0.970 65 R CB -0.315 30.028 30.300 0.071 0.000 0.864 65 R HN 0.433 nan 8.270 nan 0.000 0.440 66 D N 0.017 120.410 120.400 -0.012 0.000 2.117 66 D HA -0.129 4.511 4.640 0.000 0.000 0.197 66 D C 1.914 178.192 176.300 -0.037 0.000 0.987 66 D CA 1.110 55.109 54.000 -0.003 0.000 0.829 66 D CB -0.176 40.656 40.800 0.053 0.000 0.961 66 D HN 0.014 nan 8.370 nan 0.000 0.460 67 V N 0.991 120.859 119.914 -0.077 0.000 2.427 67 V HA -0.177 3.943 4.120 0.000 0.000 0.248 67 V C 2.408 178.424 176.094 -0.129 0.000 1.051 67 V CA 0.865 63.105 62.300 -0.100 0.000 1.048 67 V CB -0.392 31.339 31.823 -0.153 0.000 0.666 67 V HN 0.125 nan 8.190 nan 0.000 0.456 68 L N 0.703 121.786 121.223 -0.233 0.000 2.046 68 L HA -0.158 4.182 4.340 0.000 0.000 0.208 68 L C 2.417 179.220 176.870 -0.113 0.000 1.077 68 L CA 2.267 56.973 54.840 -0.223 0.000 0.747 68 L CB -0.771 41.088 42.059 -0.334 0.000 0.896 68 L HN 0.290 nan 8.230 nan 0.000 0.432 69 K N -0.395 119.955 120.400 -0.083 0.000 2.063 69 K HA -0.227 4.094 4.320 0.000 0.000 0.208 69 K C 1.959 178.540 176.600 -0.030 0.000 1.048 69 K CA 1.958 58.218 56.287 -0.045 0.000 0.928 69 K CB -0.157 32.325 32.500 -0.029 0.000 0.713 69 K HN 0.504 nan 8.250 nan 0.000 0.442 70 E N 0.098 120.285 120.200 -0.022 0.000 2.051 70 E HA -0.205 4.145 4.350 0.000 0.000 0.192 70 E C 2.108 178.706 176.600 -0.003 0.000 0.991 70 E CA 1.812 58.211 56.400 -0.002 0.000 0.799 70 E CB -0.095 29.616 29.700 0.018 0.000 0.748 70 E HN 0.369 nan 8.360 nan 0.000 0.449 71 M N 0.549 120.146 119.600 -0.006 0.000 2.117 71 M HA -0.188 4.292 4.480 0.000 0.000 0.262 71 M C 2.165 178.440 176.300 -0.040 0.000 1.065 71 M CA 1.494 56.783 55.300 -0.018 0.000 1.114 71 M CB -0.164 32.428 32.600 -0.015 0.000 1.361 71 M HN -0.050 nan 8.290 nan 0.000 0.408 72 K N 0.299 120.673 120.400 -0.043 0.000 2.057 72 K HA -0.098 4.222 4.320 0.000 0.000 0.207 72 K C 2.122 178.707 176.600 -0.026 0.000 1.049 72 K CA 1.451 57.714 56.287 -0.039 0.000 0.931 72 K CB -0.305 32.170 32.500 -0.040 0.000 0.714 72 K HN 0.308 nan 8.250 nan 0.000 0.440 73 A N 1.895 124.702 122.820 -0.021 0.000 1.933 73 A HA -0.207 4.113 4.320 0.000 0.000 0.218 73 A C 1.881 179.455 177.584 -0.017 0.000 1.175 73 A CA 1.574 53.602 52.037 -0.014 0.000 0.628 73 A CB -0.258 18.736 19.000 -0.009 0.000 0.814 73 A HN 0.211 nan 8.150 nan 0.000 0.444 74 K N -0.412 119.974 120.400 -0.023 0.000 2.062 74 K HA 0.058 4.378 4.320 0.000 0.000 0.205 74 K C 2.256 178.834 176.600 -0.037 0.000 1.051 74 K CA 0.949 57.218 56.287 -0.031 0.000 0.941 74 K CB -0.285 32.189 32.500 -0.044 0.000 0.719 74 K HN 0.410 nan 8.250 nan 0.000 0.440 75 A N 1.113 123.910 122.820 -0.038 0.000 2.019 75 A HA -0.131 4.189 4.320 0.000 0.000 0.219 75 A C 2.054 179.630 177.584 -0.013 0.000 1.164 75 A CA 1.616 53.636 52.037 -0.029 0.000 0.644 75 A CB -0.437 18.549 19.000 -0.023 0.000 0.805 75 A HN 0.159 nan 8.150 nan 0.000 0.449 76 S N -0.303 115.389 115.700 -0.012 0.000 2.474 76 S HA -0.111 4.359 4.470 0.000 0.000 0.235 76 S C 1.983 176.580 174.600 -0.005 0.000 0.997 76 S CA 1.613 59.810 58.200 -0.005 0.000 0.949 76 S CB -0.493 62.704 63.200 -0.005 0.000 0.766 76 S HN 0.912 nan 8.310 nan 0.000 0.517 77 T N -0.702 113.845 114.554 -0.011 0.000 3.113 77 T HA 0.157 4.507 4.350 0.000 0.000 0.256 77 T C 0.514 175.206 174.700 -0.012 0.000 1.131 77 T CA -0.024 62.069 62.100 -0.011 0.000 1.074 77 T CB -0.296 68.563 68.868 -0.015 0.000 0.944 77 T HN 0.034 nan 8.240 nan 0.000 0.516 78 V N 2.058 121.964 119.914 -0.014 0.000 2.461 78 V HA 0.390 4.510 4.120 0.000 0.000 0.275 78 V C 0.105 176.196 176.094 -0.004 0.000 1.047 78 V CA -0.801 61.489 62.300 -0.016 0.000 0.955 78 V CB 1.124 32.933 31.823 -0.024 0.000 0.988 78 V HN 0.393 nan 8.190 nan 0.000 0.471 79 K N 3.845 124.242 120.400 -0.004 0.000 2.274 79 K HA 0.781 5.101 4.320 0.000 0.000 0.262 79 K C -0.677 175.925 176.600 0.003 0.000 0.961 79 K CA -0.406 55.883 56.287 0.004 0.000 0.833 79 K CB 1.549 34.052 32.500 0.005 0.000 1.102 79 K HN 0.820 nan 8.250 nan 0.000 0.436 80 A N 3.833 126.659 122.820 0.011 0.000 2.401 80 A HA 0.514 4.834 4.320 0.000 0.000 0.310 80 A C -1.381 176.219 177.584 0.027 0.000 1.075 80 A CA -0.970 51.075 52.037 0.013 0.000 0.746 80 A CB 1.065 20.068 19.000 0.006 0.000 1.277 80 A HN 0.841 nan 8.150 nan 0.000 0.425 81 K N 1.329 121.748 120.400 0.032 0.000 2.156 81 K HA 0.731 5.051 4.320 0.000 0.000 0.250 81 K C -0.977 175.651 176.600 0.046 0.000 0.955 81 K CA -0.758 55.551 56.287 0.036 0.000 0.855 81 K CB 1.118 33.635 32.500 0.028 0.000 1.101 81 K HN 0.338 nan 8.250 nan 0.000 0.434 82 L N 2.414 123.661 121.223 0.039 0.000 2.426 82 L HA 0.205 4.545 4.340 0.000 0.000 0.271 82 L C -0.594 176.263 176.870 -0.021 0.000 1.169 82 L CA -0.313 54.540 54.840 0.022 0.000 0.836 82 L CB 0.546 42.614 42.059 0.014 0.000 1.112 82 L HN 0.631 nan 8.230 nan 0.000 0.465 83 L N 2.711 123.903 121.223 -0.051 0.000 2.357 83 L HA 0.397 4.737 4.340 0.000 0.000 0.273 83 L C 0.521 177.283 176.870 -0.179 0.000 1.080 83 L CA 0.230 55.018 54.840 -0.087 0.000 0.803 83 L CB 1.419 43.434 42.059 -0.075 0.000 1.174 83 L HN 0.837 nan 8.230 nan 0.000 0.443 84 S N 1.675 117.281 115.700 -0.156 0.000 2.600 84 S HA 0.183 4.654 4.470 0.000 0.000 0.265 84 S C 1.333 175.791 174.600 -0.236 0.000 1.325 84 S CA -0.570 57.517 58.200 -0.189 0.000 1.002 84 S CB 0.757 63.883 63.200 -0.124 0.000 0.921 84 S HN 0.352 nan 8.310 nan 0.000 0.554 85 V N 1.770 121.519 119.914 -0.275 0.000 2.282 85 V HA -0.188 3.932 4.120 0.000 0.000 0.249 85 V C 2.674 178.647 176.094 -0.202 0.000 1.057 85 V CA 2.500 64.618 62.300 -0.303 0.000 1.032 85 V CB -1.409 30.172 31.823 -0.402 0.000 0.645 85 V HN 0.882 nan 8.190 nan 0.000 0.447 86 E N 0.081 120.190 120.200 -0.150 0.000 2.077 86 E HA -0.208 4.142 4.350 0.000 0.000 0.193 86 E C 2.187 178.717 176.600 -0.116 0.000 0.989 86 E CA 1.455 57.787 56.400 -0.114 0.000 0.800 86 E CB -0.302 29.349 29.700 -0.082 0.000 0.746 86 E HN 0.677 nan 8.360 nan 0.000 0.452 87 E N 0.227 120.353 120.200 -0.124 0.000 2.058 87 E HA -0.204 4.146 4.350 0.000 0.000 0.194 87 E C 2.071 178.567 176.600 -0.173 0.000 0.997 87 E CA 1.088 57.408 56.400 -0.132 0.000 0.801 87 E CB -0.206 29.422 29.700 -0.120 0.000 0.746 87 E HN 0.290 nan 8.360 nan 0.000 0.450 88 A N 0.770 123.481 122.820 -0.182 0.000 1.877 88 A HA -0.225 4.095 4.320 0.000 0.000 0.216 88 A C 2.457 179.943 177.584 -0.163 0.000 1.186 88 A CA 1.395 53.318 52.037 -0.190 0.000 0.620 88 A CB -1.005 17.895 19.000 -0.166 0.000 0.822 88 A HN 0.399 nan 8.150 nan 0.000 0.443 89 C N -0.272 118.944 119.300 -0.140 0.000 2.401 89 C HA -0.108 4.353 4.460 0.000 0.000 0.276 89 C C 2.595 177.520 174.990 -0.107 0.000 1.233 89 C CA 1.362 60.312 59.018 -0.113 0.000 1.753 89 C CB -0.829 26.846 27.740 -0.107 0.000 2.029 89 C HN 0.493 nan 8.230 nan 0.000 0.478 90 K N 0.623 120.960 120.400 -0.105 0.000 2.439 90 K HA 0.085 4.405 4.320 0.000 0.000 0.197 90 K C 1.471 178.034 176.600 -0.061 0.000 1.041 90 K CA 0.798 57.041 56.287 -0.072 0.000 0.970 90 K CB -0.339 32.125 32.500 -0.060 0.000 0.773 90 K HN 0.563 nan 8.250 nan 0.000 0.479 91 L N 0.819 121.959 121.223 -0.138 0.000 2.591 91 L HA 0.017 4.357 4.340 0.000 0.000 0.228 91 L C 0.395 177.180 176.870 -0.142 0.000 1.133 91 L CA 0.185 54.916 54.840 -0.182 0.000 0.880 91 L CB -0.126 41.708 42.059 -0.375 0.000 1.033 91 L HN -0.114 nan 8.230 nan 0.000 0.450 92 T N 1.773 116.248 114.554 -0.131 0.000 2.794 92 T HA 0.220 4.570 4.350 0.000 0.000 0.296 92 T C -2.302 172.245 174.700 -0.255 0.000 0.949 92 T CA -1.117 60.887 62.100 -0.160 0.000 1.101 92 T CB 1.047 69.838 68.868 -0.128 0.000 0.905 92 T HN -0.136 nan 8.240 nan 0.000 0.516 93 P HA 0.148 nan 4.420 nan 0.000 0.269 93 P C -1.910 175.093 177.300 -0.495 0.000 1.209 93 P CA -1.408 61.390 63.100 -0.504 0.000 0.776 93 P CB 0.203 31.582 31.700 -0.535 0.000 0.876 94 P HA -0.164 nan 4.420 nan 0.000 0.220 94 P C 0.796 178.036 177.300 -0.100 0.000 1.148 94 P CA 1.627 64.576 63.100 -0.252 0.000 0.803 94 P CB -0.450 31.119 31.700 -0.217 0.000 0.782 95 H N -4.017 114.948 119.070 -0.175 0.000 2.553 95 H HA 0.340 4.897 4.556 0.000 0.000 0.265 95 H C 0.877 176.140 175.328 -0.107 0.000 0.964 95 H CA -0.378 55.602 56.048 -0.113 0.000 1.156 95 H CB -0.485 29.224 29.762 -0.088 0.000 1.411 95 H HN -0.132 nan 8.280 nan 0.000 0.558 96 S N 1.025 116.466 115.700 -0.430 0.000 2.561 96 S HA 0.181 4.651 4.470 0.000 0.000 0.294 96 S C 0.799 175.294 174.600 -0.175 0.000 1.294 96 S CA -0.204 57.798 58.200 -0.329 0.000 1.055 96 S CB -0.114 62.914 63.200 -0.286 0.000 0.819 96 S HN 0.674 nan 8.310 nan 0.000 0.503 97 A N 5.021 127.741 122.820 -0.167 0.000 2.546 97 A HA 0.236 4.556 4.320 0.000 0.000 0.243 97 A C 0.635 178.193 177.584 -0.043 0.000 1.063 97 A CA -0.152 51.834 52.037 -0.084 0.000 0.757 97 A CB -0.119 18.836 19.000 -0.074 0.000 0.991 97 A HN 0.886 nan 8.150 nan 0.000 0.503 98 K N 2.263 122.636 120.400 -0.044 0.000 2.336 98 K HA 0.263 4.584 4.320 0.000 0.000 0.262 98 K C 0.375 176.894 176.600 -0.135 0.000 0.992 98 K CA 0.106 56.339 56.287 -0.090 0.000 0.927 98 K CB 0.359 32.808 32.500 -0.085 0.000 0.956 98 K HN 0.458 nan 8.250 nan 0.000 0.495 99 S N 0.283 115.790 115.700 -0.322 0.000 2.593 99 S HA 0.049 4.519 4.470 0.000 0.000 0.269 99 S C 0.651 175.067 174.600 -0.308 0.000 1.334 99 S CA -0.449 57.524 58.200 -0.379 0.000 1.015 99 S CB 0.650 63.263 63.200 -0.978 0.000 0.912 99 S HN 0.687 nan 8.310 nan 0.000 0.541 100 K N 1.690 121.911 120.400 -0.297 0.000 2.432 100 K HA 0.079 4.400 4.320 0.000 0.000 0.196 100 K C -0.048 176.151 176.600 -0.669 0.000 1.038 100 K CA 0.796 56.787 56.287 -0.494 0.000 0.986 100 K CB -0.036 32.072 32.500 -0.652 0.000 0.782 100 K HN 0.595 nan 8.250 nan 0.000 0.485 101 F N 0.140 119.898 119.950 -0.320 0.000 2.750 101 F HA 0.258 4.785 4.527 0.000 0.000 0.297 101 F C 0.977 176.657 175.800 -0.200 0.000 1.138 101 F CA -0.339 57.469 58.000 -0.320 0.000 1.346 101 F CB 0.939 39.546 39.000 -0.655 0.000 0.965 101 F HN 0.041 nan 8.300 nan 0.000 0.514 102 G N 0.478 109.219 108.800 -0.098 0.000 2.140 102 G HA2 -0.264 3.696 3.960 0.000 0.000 0.211 102 G HA3 -0.264 3.696 3.960 0.000 0.000 0.211 102 G C -0.412 174.566 174.900 0.129 0.000 1.013 102 G CA 0.042 45.151 45.100 0.015 0.000 0.705 102 G HN 0.543 nan 8.290 nan 0.000 0.508 103 Y N -2.556 117.745 120.300 0.001 0.000 2.638 103 Y HA 0.791 5.341 4.550 0.000 0.000 0.335 103 Y C 0.358 176.263 175.900 0.009 0.000 1.155 103 Y CA -1.109 56.996 58.100 0.008 0.000 1.046 103 Y CB 0.616 39.088 38.460 0.020 0.000 1.303 103 Y HN 0.677 nan 8.280 nan 0.000 0.460 104 G N -0.225 108.662 108.800 0.145 0.000 3.013 104 G HA2 0.542 4.503 3.960 0.000 0.000 0.278 104 G HA3 0.542 4.503 3.960 0.000 0.000 0.278 104 G C 0.202 175.167 174.900 0.109 0.000 1.353 104 G CA -0.783 44.345 45.100 0.046 0.000 1.043 104 G HN 1.187 nan 8.290 nan 0.000 0.523 105 A N -0.398 122.435 122.820 0.022 0.000 1.933 105 A HA -0.014 4.307 4.320 0.000 0.000 0.218 105 A C 2.120 179.691 177.584 -0.022 0.000 1.175 105 A CA 1.894 53.923 52.037 -0.012 0.000 0.628 105 A CB -0.360 18.584 19.000 -0.093 0.000 0.814 105 A HN 0.571 nan 8.150 nan 0.000 0.444 106 K N -0.433 119.956 120.400 -0.019 0.000 2.288 106 K HA -0.077 4.243 4.320 0.000 0.000 0.201 106 K C 1.071 177.667 176.600 -0.007 0.000 1.048 106 K CA 1.079 57.348 56.287 -0.030 0.000 0.956 106 K CB -0.071 32.412 32.500 -0.028 0.000 0.746 106 K HN 0.414 nan 8.250 nan 0.000 0.461 107 D N 0.393 120.814 120.400 0.035 0.000 2.149 107 D HA -0.108 4.532 4.640 0.000 0.000 0.201 107 D C 1.909 178.209 176.300 -0.000 0.000 0.972 107 D CA 0.821 54.843 54.000 0.036 0.000 0.835 107 D CB -0.080 40.783 40.800 0.106 0.000 0.966 107 D HN -0.073 nan 8.370 nan 0.000 0.476 108 V N 1.281 121.213 119.914 0.030 0.000 2.270 108 V HA -0.211 3.909 4.120 0.000 0.000 0.245 108 V C 2.547 178.610 176.094 -0.052 0.000 1.043 108 V CA 1.504 63.795 62.300 -0.015 0.000 1.014 108 V CB -0.306 31.538 31.823 0.036 0.000 0.645 108 V HN 0.120 nan 8.190 nan 0.000 0.447 109 R N 1.274 121.739 120.500 -0.058 0.000 2.073 109 R HA -0.104 4.236 4.340 0.000 0.000 0.234 109 R C 1.622 177.887 176.300 -0.058 0.000 1.134 109 R CA 1.682 57.735 56.100 -0.077 0.000 0.952 109 R CB -0.511 29.722 30.300 -0.111 0.000 0.850 109 R HN 0.720 nan 8.270 nan 0.000 0.433 110 N N 1.583 120.255 118.700 -0.046 0.000 2.313 110 N HA 0.008 4.748 4.740 0.000 0.000 0.207 110 N C -0.073 175.413 175.510 -0.040 0.000 1.141 110 N CA 0.141 53.169 53.050 -0.037 0.000 0.830 110 N CB 0.248 38.718 38.487 -0.027 0.000 1.008 110 N HN 0.150 nan 8.380 nan 0.000 0.481 111 L N 0.449 121.641 121.223 -0.052 0.000 3.634 111 L HA -0.238 4.103 4.340 0.000 0.000 0.423 111 L C 0.527 177.361 176.870 -0.061 0.000 1.253 111 L CA 0.260 55.062 54.840 -0.064 0.000 0.885 111 L CB -2.733 39.292 42.059 -0.057 0.000 1.789 111 L HN 0.368 nan 8.230 nan 0.000 0.904 112 S N -0.758 114.906 115.700 -0.060 0.000 2.566 112 S HA 0.225 4.695 4.470 0.000 0.000 0.280 112 S C 1.552 176.109 174.600 -0.072 0.000 1.343 112 S CA 0.061 58.229 58.200 -0.053 0.000 1.036 112 S CB 1.615 64.793 63.200 -0.038 0.000 0.866 112 S HN 0.628 nan 8.310 nan 0.000 0.526 113 S N 2.734 118.406 115.700 -0.048 0.000 2.356 113 S HA -0.213 4.257 4.470 0.000 0.000 0.223 113 S C 1.813 176.377 174.600 -0.059 0.000 1.032 113 S CA 1.212 59.387 58.200 -0.042 0.000 1.005 113 S CB -0.807 62.380 63.200 -0.022 0.000 0.867 113 S HN 0.889 nan 8.310 nan 0.000 0.449 114 K N 1.752 122.117 120.400 -0.057 0.000 2.044 114 K HA -0.139 4.182 4.320 0.000 0.000 0.210 114 K C 2.312 178.777 176.600 -0.224 0.000 1.049 114 K CA 1.453 57.703 56.287 -0.062 0.000 0.927 114 K CB -0.797 31.704 32.500 0.002 0.000 0.713 114 K HN 0.468 nan 8.250 nan 0.000 0.443 115 A N 0.684 123.256 122.820 -0.415 0.000 1.858 115 A HA -0.129 4.191 4.320 0.000 0.000 0.216 115 A C 2.289 179.578 177.584 -0.492 0.000 1.190 115 A CA 1.879 53.372 52.037 -0.906 0.000 0.617 115 A CB -0.809 17.809 19.000 -0.636 0.000 0.827 115 A HN 0.194 nan 8.150 nan 0.000 0.443 116 V N 0.905 120.671 119.914 -0.246 0.000 2.392 116 V HA -0.328 3.793 4.120 0.000 0.000 0.249 116 V C 2.142 178.227 176.094 -0.015 0.000 1.059 116 V CA 2.380 64.601 62.300 -0.132 0.000 1.051 116 V CB -1.266 30.529 31.823 -0.047 0.000 0.658 116 V HN 0.669 nan 8.190 nan 0.000 0.455 117 N N -1.074 117.631 118.700 0.009 0.000 2.188 117 N HA -0.192 4.548 4.740 0.000 0.000 0.184 117 N C 1.984 177.541 175.510 0.078 0.000 1.018 117 N CA 1.106 54.202 53.050 0.077 0.000 0.858 117 N CB -0.267 38.246 38.487 0.043 0.000 0.989 117 N HN 0.589 nan 8.380 nan 0.000 0.426 118 H N 1.305 120.338 119.070 -0.062 0.000 2.357 118 H HA -0.004 4.552 4.556 0.000 0.000 0.301 118 H C 2.060 177.375 175.328 -0.022 0.000 1.082 118 H CA 1.105 57.138 56.048 -0.025 0.000 1.342 118 H CB 0.059 29.871 29.762 0.083 0.000 1.389 118 H HN 0.168 nan 8.280 nan 0.000 0.511 119 I N 0.540 121.032 120.570 -0.129 0.000 2.208 119 I HA -0.330 3.840 4.170 0.000 0.000 0.245 119 I C 2.621 178.642 176.117 -0.160 0.000 1.097 119 I CA 1.222 62.419 61.300 -0.171 0.000 1.363 119 I CB -0.448 37.434 38.000 -0.198 0.000 1.051 119 I HN 0.370 nan 8.210 nan 0.000 0.413 120 H N 0.315 119.340 119.070 -0.075 0.000 2.387 120 H HA -0.121 4.435 4.556 0.000 0.000 0.299 120 H C 2.611 177.941 175.328 0.004 0.000 1.090 120 H CA 1.933 57.967 56.048 -0.023 0.000 1.332 120 H CB -0.234 29.505 29.762 -0.039 0.000 1.386 120 H HN 0.425 nan 8.280 nan 0.000 0.516 121 S N 0.226 115.948 115.700 0.037 0.000 2.406 121 S HA -0.072 4.398 4.470 0.000 0.000 0.228 121 S C 2.368 176.904 174.600 -0.107 0.000 1.020 121 S CA 1.043 59.221 58.200 -0.038 0.000 0.965 121 S CB -0.799 62.357 63.200 -0.072 0.000 0.798 121 S HN 0.086 nan 8.310 nan 0.000 0.488 122 V N 0.915 120.702 119.914 -0.211 0.000 2.343 122 V HA -0.134 3.986 4.120 0.000 0.000 0.247 122 V C 2.244 178.326 176.094 -0.020 0.000 1.051 122 V CA 1.794 63.986 62.300 -0.179 0.000 1.036 122 V CB -1.079 30.602 31.823 -0.236 0.000 0.654 122 V HN 0.695 nan 8.190 nan 0.000 0.451 123 W N 1.383 122.607 121.300 -0.127 0.000 2.333 123 W HA -0.256 4.404 4.660 0.000 0.000 0.316 123 W C 2.585 179.073 176.519 -0.052 0.000 1.215 123 W CA 2.386 59.685 57.345 -0.077 0.000 1.278 123 W CB -0.204 29.219 29.460 -0.062 0.000 1.154 123 W HN 0.226 nan 8.180 nan 0.000 0.486 124 K N 0.539 121.008 120.400 0.115 0.000 2.074 124 K HA -0.295 4.025 4.320 0.000 0.000 0.209 124 K C 1.769 178.318 176.600 -0.086 0.000 1.048 124 K CA 2.409 58.704 56.287 0.013 0.000 0.926 124 K CB -0.643 31.894 32.500 0.062 0.000 0.713 124 K HN 0.067 nan 8.250 nan 0.000 0.444 125 D N 0.041 120.389 120.400 -0.086 0.000 2.117 125 D HA -0.161 4.479 4.640 0.000 0.000 0.197 125 D C 1.955 178.166 176.300 -0.150 0.000 0.987 125 D CA 1.113 55.053 54.000 -0.102 0.000 0.829 125 D CB 0.046 40.790 40.800 -0.093 0.000 0.961 125 D HN 0.218 nan 8.370 nan 0.000 0.460 126 L N -0.023 121.070 121.223 -0.217 0.000 2.046 126 L HA -0.150 4.190 4.340 0.000 0.000 0.208 126 L C 2.530 179.209 176.870 -0.319 0.000 1.077 126 L CA 0.700 55.367 54.840 -0.289 0.000 0.747 126 L CB -0.399 41.416 42.059 -0.406 0.000 0.896 126 L HN 0.240 nan 8.230 nan 0.000 0.432 127 L N -0.682 120.312 121.223 -0.381 0.000 2.083 127 L HA -0.207 4.133 4.340 0.000 0.000 0.209 127 L C 2.260 179.031 176.870 -0.165 0.000 1.083 127 L CA 1.374 56.039 54.840 -0.292 0.000 0.752 127 L CB -0.416 41.482 42.059 -0.268 0.000 0.899 127 L HN 0.321 nan 8.230 nan 0.000 0.433 128 E N -1.216 118.904 120.200 -0.133 0.000 2.318 128 E HA -0.058 4.292 4.350 0.000 0.000 0.193 128 E C 0.179 176.734 176.600 -0.076 0.000 0.998 128 E CA 0.124 56.473 56.400 -0.085 0.000 0.859 128 E CB 0.427 30.089 29.700 -0.062 0.000 0.812 128 E HN 0.195 nan 8.360 nan 0.000 0.492 129 D N -0.018 120.327 120.400 -0.091 0.000 2.620 129 D HA 0.048 4.688 4.640 0.000 0.000 0.252 129 D C -0.196 176.052 176.300 -0.086 0.000 1.207 129 D CA -0.318 53.638 54.000 -0.074 0.000 0.884 129 D CB 1.519 42.281 40.800 -0.063 0.000 1.262 129 D HN -0.054 nan 8.370 nan 0.000 0.552 130 T N 0.472 114.984 114.554 -0.070 0.000 3.215 130 T HA 0.242 4.592 4.350 0.000 0.000 0.271 130 T C 1.143 175.812 174.700 -0.052 0.000 1.012 130 T CA 0.336 62.393 62.100 -0.071 0.000 0.899 130 T CB -0.240 68.589 68.868 -0.064 0.000 1.089 130 T HN 0.224 nan 8.240 nan 0.000 0.552 131 V N -3.266 116.622 119.914 -0.043 0.000 3.305 131 V HA 0.370 4.490 4.120 0.000 0.000 0.247 131 V C 0.565 176.648 176.094 -0.019 0.000 1.426 131 V CA -0.106 62.178 62.300 -0.028 0.000 1.162 131 V CB -0.269 31.541 31.823 -0.021 0.000 0.961 131 V HN 0.285 nan 8.190 nan 0.000 0.449 132 T N 4.726 119.267 114.554 -0.023 0.000 2.769 132 T HA 0.361 4.711 4.350 0.000 0.000 0.293 132 T C -2.516 172.179 174.700 -0.007 0.000 0.931 132 T CA -0.393 61.702 62.100 -0.009 0.000 1.139 132 T CB 0.684 69.546 68.868 -0.010 0.000 0.881 132 T HN 0.346 nan 8.240 nan 0.000 0.532 133 P HA 0.143 nan 4.420 nan 0.000 0.265 133 P C -0.244 177.057 177.300 0.002 0.000 1.193 133 P CA -0.056 63.056 63.100 0.020 0.000 0.765 133 P CB 0.335 32.088 31.700 0.089 0.000 0.823 134 I N 2.555 123.110 120.570 -0.026 0.000 2.365 134 I HA 0.135 4.305 4.170 0.000 0.000 0.291 134 I C 0.909 177.013 176.117 -0.021 0.000 1.004 134 I CA -0.465 60.823 61.300 -0.020 0.000 1.311 134 I CB 0.770 38.745 38.000 -0.042 0.000 1.401 134 I HN 0.314 nan 8.210 nan 0.000 0.491 135 D N 4.405 124.809 120.400 0.006 0.000 2.443 135 D HA 0.125 4.765 4.640 0.000 0.000 0.239 135 D C -0.278 175.993 176.300 -0.049 0.000 1.136 135 D CA 0.397 54.390 54.000 -0.012 0.000 0.879 135 D CB 0.742 41.552 40.800 0.016 0.000 1.195 135 D HN 0.605 nan 8.370 nan 0.000 0.443 136 T N -0.501 113.996 114.554 -0.095 0.000 2.906 136 T HA 0.604 4.954 4.350 0.000 0.000 0.295 136 T C -0.370 174.187 174.700 -0.239 0.000 1.061 136 T CA -0.973 61.027 62.100 -0.167 0.000 1.000 136 T CB 1.577 70.367 68.868 -0.129 0.000 1.103 136 T HN 0.206 nan 8.240 nan 0.000 0.486 137 T N 2.414 116.676 114.554 -0.488 0.000 2.829 137 T HA 0.564 4.915 4.350 0.000 0.000 0.282 137 T C -0.304 174.148 174.700 -0.413 0.000 0.990 137 T CA -0.588 61.205 62.100 -0.512 0.000 1.028 137 T CB 0.707 69.092 68.868 -0.805 0.000 0.951 137 T HN 0.730 nan 8.240 nan 0.000 0.460 138 I N 4.306 124.798 120.570 -0.130 0.000 2.354 138 I HA 0.502 4.672 4.170 0.000 0.000 0.292 138 I C -0.827 175.335 176.117 0.075 0.000 0.989 138 I CA -0.728 60.585 61.300 0.021 0.000 1.188 138 I CB 0.561 38.620 38.000 0.097 0.000 1.342 138 I HN 0.412 nan 8.210 nan 0.000 0.457 139 M N 6.266 125.966 119.600 0.167 0.000 2.690 139 M HA 0.538 5.019 4.480 0.000 0.000 0.302 139 M C -0.600 175.772 176.300 0.120 0.000 1.234 139 M CA -0.679 54.719 55.300 0.163 0.000 0.853 139 M CB 1.834 34.591 32.600 0.261 0.000 1.748 139 M HN 0.589 nan 8.290 nan 0.000 0.469 140 A N 1.808 124.677 122.820 0.081 0.000 2.274 140 A HA 0.500 4.820 4.320 0.000 0.000 0.309 140 A C -0.106 177.515 177.584 0.062 0.000 1.226 140 A CA -0.592 51.481 52.037 0.061 0.000 0.853 140 A CB 0.317 19.339 19.000 0.037 0.000 1.146 140 A HN 0.751 nan 8.150 nan 0.000 0.518 141 K N 1.906 122.344 120.400 0.063 0.000 2.382 141 K HA 0.052 4.373 4.320 0.000 0.000 0.275 141 K C -0.592 176.018 176.600 0.017 0.000 1.009 141 K CA 0.330 56.641 56.287 0.040 0.000 0.970 141 K CB 0.408 32.937 32.500 0.049 0.000 0.934 141 K HN 0.760 nan 8.250 nan 0.000 0.479 142 N N 2.699 121.381 118.700 -0.031 0.000 2.546 142 N HA 0.108 4.848 4.740 0.000 0.000 0.238 142 N C -1.207 174.181 175.510 -0.203 0.000 0.984 142 N CA -0.320 52.675 53.050 -0.092 0.000 0.935 142 N CB 1.025 39.456 38.487 -0.094 0.000 1.122 142 N HN 0.391 nan 8.380 nan 0.000 0.510 143 E N 0.899 120.961 120.200 -0.231 0.000 2.256 143 E HA 0.469 4.819 4.350 0.000 0.000 0.267 143 E C -0.867 175.294 176.600 -0.732 0.000 0.892 143 E CA -0.985 55.151 56.400 -0.441 0.000 0.775 143 E CB 2.550 32.052 29.700 -0.330 0.000 1.207 143 E HN 0.084 nan 8.360 nan 0.000 0.420 144 V N 2.999 122.327 119.914 -0.977 0.000 2.472 144 V HA 0.516 4.636 4.120 0.000 0.000 0.290 144 V C -0.807 174.581 176.094 -1.176 0.000 1.037 144 V CA -0.293 61.447 62.300 -0.933 0.000 0.908 144 V CB 0.337 31.749 31.823 -0.685 0.000 0.985 144 V HN 0.518 nan 8.190 nan 0.000 0.454 145 F N 1.855 121.454 119.950 -0.584 0.000 2.715 145 F HA 0.586 5.113 4.527 0.000 0.000 0.318 145 F C -0.028 175.600 175.800 -0.286 0.000 1.141 145 F CA -0.755 56.982 58.000 -0.438 0.000 0.950 145 F CB 1.263 39.976 39.000 -0.480 0.000 1.374 145 F HN 0.530 nan 8.300 nan 0.000 0.477 146 C N 2.623 122.045 119.300 0.203 0.000 2.358 146 C HA 0.785 5.245 4.460 0.000 0.000 0.342 146 C C 0.047 175.276 174.990 0.398 0.000 1.234 146 C CA -0.729 58.447 59.018 0.263 0.000 1.969 146 C CB 0.030 27.868 27.740 0.162 0.000 2.346 146 C HN 0.730 nan 8.230 nan 0.000 0.525 147 V N 5.033 125.193 119.914 0.410 0.000 2.694 147 V HA 0.278 4.398 4.120 0.000 0.000 0.306 147 V C -0.183 175.992 176.094 0.136 0.000 1.054 147 V CA 0.307 62.755 62.300 0.246 0.000 1.161 147 V CB 0.272 32.156 31.823 0.101 0.000 0.916 147 V HN 1.042 nan 8.190 nan 0.000 0.490 155 K N 3.312 123.729 120.400 0.027 0.000 2.276 155 K HA 0.278 4.598 4.320 0.000 0.000 0.283 155 K C -2.086 174.553 176.600 0.065 0.000 1.044 155 K CA -1.558 54.714 56.287 -0.026 0.000 0.944 155 K CB 0.596 32.946 32.500 -0.251 0.000 1.012 155 K HN 0.247 nan 8.250 nan 0.000 0.472 156 P HA 0.019 nan 4.420 nan 0.000 0.274 156 P C -0.766 176.584 177.300 0.083 0.000 1.237 156 P CA -0.473 62.658 63.100 0.052 0.000 0.793 156 P CB 0.591 32.301 31.700 0.016 0.000 0.977 157 A N 3.241 126.115 122.820 0.090 0.000 2.567 157 A HA 0.016 4.336 4.320 0.000 0.000 0.240 157 A C 0.739 178.372 177.584 0.083 0.000 1.053 157 A CA 0.062 52.159 52.037 0.100 0.000 0.755 157 A CB -0.445 18.599 19.000 0.072 0.000 0.978 157 A HN 0.420 nan 8.150 nan 0.000 0.507 158 R N 1.036 121.602 120.500 0.109 0.000 2.694 158 R HA 0.339 4.679 4.340 0.000 0.000 0.268 158 R C -0.578 175.777 176.300 0.091 0.000 1.061 158 R CA -0.100 56.063 56.100 0.105 0.000 1.133 158 R CB 0.267 30.644 30.300 0.128 0.000 1.020 158 R HN 0.667 nan 8.270 nan 0.000 0.475 159 L N 2.448 123.729 121.223 0.096 0.000 2.334 159 L HA 0.527 4.867 4.340 0.000 0.000 0.275 159 L C -0.154 176.804 176.870 0.147 0.000 1.036 159 L CA -0.831 54.071 54.840 0.103 0.000 0.807 159 L CB 1.127 43.232 42.059 0.076 0.000 1.231 159 L HN 0.461 nan 8.230 nan 0.000 0.438 160 I N 2.082 122.757 120.570 0.175 0.000 2.465 160 I HA 0.519 4.690 4.170 0.000 0.000 0.291 160 I C -0.977 175.327 176.117 0.313 0.000 1.014 160 I CA -0.339 61.102 61.300 0.235 0.000 1.093 160 I CB 1.923 40.048 38.000 0.208 0.000 1.267 160 I HN 0.210 nan 8.210 nan 0.000 0.431 161 V N 8.552 128.646 119.914 0.300 0.000 2.487 161 V HA 0.611 4.731 4.120 0.000 0.000 0.298 161 V C -0.855 175.411 176.094 0.286 0.000 1.028 161 V CA -0.483 61.946 62.300 0.214 0.000 0.860 161 V CB 1.180 33.103 31.823 0.166 0.000 0.991 161 V HN 0.594 nan 8.190 nan 0.000 0.427 162 F N 4.805 124.798 119.950 0.073 0.000 2.619 162 F HA 0.923 5.450 4.527 0.000 0.000 0.308 162 F C -3.086 172.751 175.800 0.061 0.000 1.097 162 F CA -2.705 55.336 58.000 0.069 0.000 0.953 162 F CB 1.643 40.676 39.000 0.055 0.000 1.287 162 F HN 0.304 nan 8.300 nan 0.000 0.446 163 P HA 0.185 nan 4.420 nan 0.000 0.279 163 P C -0.955 176.448 177.300 0.172 0.000 1.276 163 P CA -0.166 62.981 63.100 0.078 0.000 0.801 163 P CB 1.210 32.969 31.700 0.097 0.000 1.127 164 D N -0.684 119.803 120.400 0.144 0.000 2.419 164 D HA -0.085 4.555 4.640 0.000 0.000 0.236 164 D C 1.363 177.788 176.300 0.207 0.000 1.165 164 D CA -0.202 53.915 54.000 0.195 0.000 0.882 164 D CB 0.261 41.227 40.800 0.277 0.000 1.201 164 D HN 0.102 nan 8.370 nan 0.000 0.443 165 L N 3.444 124.771 121.223 0.174 0.000 2.051 165 L HA -0.046 4.295 4.340 0.000 0.000 0.214 165 L C 2.055 179.061 176.870 0.226 0.000 1.076 165 L CA 2.595 57.528 54.840 0.155 0.000 0.758 165 L CB -1.120 40.985 42.059 0.077 0.000 0.890 165 L HN 0.671 nan 8.230 nan 0.000 0.433 166 G N -1.242 107.752 108.800 0.324 0.000 2.446 166 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 166 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 166 G C 1.548 176.539 174.900 0.152 0.000 1.168 166 G CA 1.186 46.478 45.100 0.321 0.000 0.771 166 G HN 0.356 nan 8.290 nan 0.000 0.551 167 V N 0.783 120.782 119.914 0.141 0.000 2.343 167 V HA -0.175 3.945 4.120 0.000 0.000 0.247 167 V C 2.941 179.107 176.094 0.120 0.000 1.051 167 V CA 1.957 64.318 62.300 0.102 0.000 1.036 167 V CB -0.482 31.393 31.823 0.086 0.000 0.654 167 V HN 0.327 nan 8.190 nan 0.000 0.451 168 R N -0.303 120.277 120.500 0.134 0.000 2.091 168 R HA -0.132 4.208 4.340 0.000 0.000 0.238 168 R C 2.269 178.624 176.300 0.092 0.000 1.136 168 R CA 1.537 57.709 56.100 0.121 0.000 0.959 168 R CB -0.708 29.658 30.300 0.110 0.000 0.856 168 R HN 0.422 nan 8.270 nan 0.000 0.437 169 V N 0.597 120.558 119.914 0.077 0.000 2.332 169 V HA -0.318 3.802 4.120 0.000 0.000 0.248 169 V C 2.516 178.635 176.094 0.042 0.000 1.055 169 V CA 1.652 63.969 62.300 0.028 0.000 1.038 169 V CB -0.480 31.348 31.823 0.007 0.000 0.651 169 V HN 0.462 nan 8.190 nan 0.000 0.450 170 C N -0.271 119.095 119.300 0.109 0.000 2.425 170 C HA -0.127 4.333 4.460 0.000 0.000 0.277 170 C C 2.642 177.802 174.990 0.283 0.000 1.280 170 C CA 0.817 59.982 59.018 0.245 0.000 1.744 170 C CB -1.012 26.911 27.740 0.304 0.000 1.989 170 C HN 0.627 nan 8.230 nan 0.000 0.491 171 E N 0.823 121.140 120.200 0.195 0.000 2.058 171 E HA -0.232 4.118 4.350 0.000 0.000 0.194 171 E C 2.151 178.867 176.600 0.193 0.000 0.997 171 E CA 1.228 57.754 56.400 0.210 0.000 0.801 171 E CB -0.149 29.682 29.700 0.219 0.000 0.746 171 E HN 0.621 nan 8.360 nan 0.000 0.450 172 K N 0.398 120.881 120.400 0.138 0.000 2.032 172 K HA -0.141 4.179 4.320 0.000 0.000 0.209 172 K C 2.218 178.878 176.600 0.101 0.000 1.048 172 K CA 1.494 57.852 56.287 0.118 0.000 0.927 172 K CB -0.141 32.356 32.500 -0.006 0.000 0.712 172 K HN 0.087 nan 8.250 nan 0.000 0.441 173 M N 0.221 119.838 119.600 0.029 0.000 2.088 173 M HA -0.258 4.222 4.480 0.000 0.000 0.256 173 M C 2.397 178.746 176.300 0.082 0.000 1.071 173 M CA 2.059 57.314 55.300 -0.075 0.000 1.097 173 M CB -0.396 31.969 32.600 -0.391 0.000 1.315 173 M HN 0.268 nan 8.290 nan 0.000 0.406 174 A N -0.874 122.120 122.820 0.289 0.000 1.970 174 A HA 0.041 4.361 4.320 0.000 0.000 0.216 174 A C 1.871 179.551 177.584 0.159 0.000 1.170 174 A CA 1.199 53.428 52.037 0.320 0.000 0.645 174 A CB -0.205 19.006 19.000 0.352 0.000 0.816 174 A HN 0.506 nan 8.150 nan 0.000 0.447 175 L N -3.254 118.050 121.223 0.134 0.000 3.039 175 L HA 0.191 4.532 4.340 0.000 0.000 0.269 175 L C 1.847 178.747 176.870 0.050 0.000 1.169 175 L CA 0.033 54.892 54.840 0.032 0.000 0.986 175 L CB 0.086 42.138 42.059 -0.011 0.000 1.377 175 L HN 0.458 nan 8.230 nan 0.000 0.575 176 Y N 1.434 121.747 120.300 0.023 0.000 2.128 176 Y HA -0.342 4.208 4.550 0.000 0.000 0.284 176 Y C 2.219 178.150 175.900 0.052 0.000 1.154 176 Y CA 2.325 60.456 58.100 0.051 0.000 1.149 176 Y CB 0.070 38.551 38.460 0.035 0.000 0.976 176 Y HN 0.219 nan 8.280 nan 0.000 0.505 177 D N -0.611 119.825 120.400 0.061 0.000 2.104 177 D HA -0.185 4.455 4.640 0.000 0.000 0.194 177 D C 2.261 178.496 176.300 -0.109 0.000 0.994 177 D CA 1.662 55.642 54.000 -0.033 0.000 0.830 177 D CB -0.319 40.509 40.800 0.047 0.000 0.959 177 D HN 0.262 nan 8.370 nan 0.000 0.452 178 V N 0.460 120.316 119.914 -0.097 0.000 2.255 178 V HA -0.247 3.873 4.120 0.000 0.000 0.247 178 V C 2.663 178.643 176.094 -0.191 0.000 1.051 178 V CA 1.963 64.180 62.300 -0.138 0.000 1.018 178 V CB -0.730 30.977 31.823 -0.192 0.000 0.641 178 V HN 0.343 nan 8.190 nan 0.000 0.445 179 V N -2.743 117.035 119.914 -0.227 0.000 3.041 179 V HA -0.044 4.076 4.120 0.000 0.000 0.260 179 V C 2.024 177.959 176.094 -0.266 0.000 1.105 179 V CA 1.858 64.016 62.300 -0.237 0.000 1.125 179 V CB -0.245 31.458 31.823 -0.200 0.000 0.730 179 V HN 0.452 nan 8.190 nan 0.000 0.479 180 S N 1.239 116.777 115.700 -0.271 0.000 2.446 180 S HA -0.048 4.423 4.470 0.000 0.000 0.225 180 S C 1.951 176.454 174.600 -0.161 0.000 1.016 180 S CA 1.516 59.577 58.200 -0.233 0.000 0.943 180 S CB -0.018 62.980 63.200 -0.336 0.000 0.786 180 S HN 0.936 nan 8.310 nan 0.000 0.508 181 T N -0.614 113.841 114.554 -0.164 0.000 3.026 181 T HA 0.282 4.633 4.350 0.000 0.000 0.245 181 T C 1.706 176.307 174.700 -0.165 0.000 1.004 181 T CA -0.088 61.935 62.100 -0.129 0.000 1.069 181 T CB -0.576 68.241 68.868 -0.084 0.000 1.005 181 T HN 0.214 nan 8.240 nan 0.000 0.472 182 L N 2.043 123.163 121.223 -0.173 0.000 2.042 182 L HA 0.096 4.436 4.340 0.000 0.000 0.210 182 L C -0.858 175.846 176.870 -0.277 0.000 1.076 182 L CA 1.516 56.257 54.840 -0.166 0.000 0.749 182 L CB -0.816 41.191 42.059 -0.087 0.000 0.893 182 L HN 0.169 nan 8.230 nan 0.000 0.432 183 P HA -0.204 nan 4.420 nan 0.000 0.217 183 P C 1.328 178.196 177.300 -0.720 0.000 1.150 183 P CA 1.143 63.799 63.100 -0.739 0.000 0.832 183 P CB -0.166 30.705 31.700 -1.382 0.000 0.787 184 Q N 0.171 119.628 119.800 -0.573 0.000 2.119 184 Q HA -0.094 4.246 4.340 0.000 0.000 0.201 184 Q C 1.936 177.819 176.000 -0.195 0.000 0.972 184 Q CA 1.467 57.115 55.803 -0.257 0.000 0.847 184 Q CB -0.737 27.947 28.738 -0.090 0.000 0.903 184 Q HN 0.074 nan 8.270 nan 0.000 0.433 185 V N 0.212 120.015 119.914 -0.185 0.000 2.358 185 V HA -0.212 3.908 4.120 0.000 0.000 0.246 185 V C 2.553 178.561 176.094 -0.144 0.000 1.047 185 V CA 1.505 63.727 62.300 -0.130 0.000 1.035 185 V CB -0.540 31.222 31.823 -0.101 0.000 0.658 185 V HN 0.131 nan 8.190 nan 0.000 0.452 186 V N -0.730 119.065 119.914 -0.198 0.000 2.379 186 V HA -0.189 3.931 4.120 0.000 0.000 0.245 186 V C 2.060 177.980 176.094 -0.290 0.000 1.044 186 V CA 2.186 64.362 62.300 -0.207 0.000 1.036 186 V CB -0.424 31.269 31.823 -0.218 0.000 0.664 186 V HN 0.473 nan 8.190 nan 0.000 0.453 187 M N -1.264 118.098 119.600 -0.397 0.000 2.337 187 M HA 0.360 4.840 4.480 0.000 0.000 0.256 187 M C 1.490 177.655 176.300 -0.225 0.000 1.075 187 M CA 0.720 55.697 55.300 -0.537 0.000 1.024 187 M CB 0.456 32.593 32.600 -0.771 0.000 1.429 187 M HN 0.447 nan 8.290 nan 0.000 0.497 188 G N 1.687 110.396 108.800 -0.153 0.000 2.652 188 G HA2 -0.419 3.541 3.960 0.000 0.000 0.318 188 G HA3 -0.419 3.541 3.960 0.000 0.000 0.318 188 G C 0.926 175.781 174.900 -0.075 0.000 1.295 188 G CA 1.085 46.139 45.100 -0.076 0.000 0.999 188 G HN 0.540 nan 8.290 nan 0.000 0.548 189 S N -0.728 114.953 115.700 -0.031 0.000 2.469 189 S HA 0.036 4.506 4.470 0.000 0.000 0.238 189 S C 2.221 176.684 174.600 -0.228 0.000 0.998 189 S CA 2.029 60.173 58.200 -0.093 0.000 0.957 189 S CB -0.174 63.070 63.200 0.072 0.000 0.764 189 S HN 0.984 nan 8.310 nan 0.000 0.514 190 S N 0.192 115.864 115.700 -0.046 0.000 2.515 190 S HA 0.118 4.588 4.470 0.000 0.000 0.231 190 S C 0.226 174.801 174.600 -0.041 0.000 0.987 190 S CA -0.073 58.142 58.200 0.025 0.000 0.936 190 S CB -0.424 62.909 63.200 0.221 0.000 0.766 190 S HN 0.703 nan 8.310 nan 0.000 0.528 191 Y N 3.031 123.167 120.300 -0.274 0.000 2.584 191 Y HA 0.443 4.993 4.550 0.000 0.000 0.351 191 Y C 1.271 176.920 175.900 -0.419 0.000 1.030 191 Y CA -1.422 56.487 58.100 -0.319 0.000 1.332 191 Y CB -0.027 38.252 38.460 -0.303 0.000 1.148 191 Y HN 0.058 nan 8.280 nan 0.000 0.528 192 G N 4.552 112.894 108.800 -0.763 0.000 2.408 192 G HA2 -0.269 3.691 3.960 0.000 0.000 0.217 192 G HA3 -0.269 3.691 3.960 0.000 0.000 0.217 192 G C 1.058 175.406 174.900 -0.919 0.000 1.150 192 G CA 0.304 44.966 45.100 -0.730 0.000 0.776 192 G HN 0.637 nan 8.290 nan 0.000 0.542 193 F N 1.386 120.591 119.950 -1.242 0.000 2.771 193 F HA 0.058 4.585 4.527 0.000 0.000 0.299 193 F C 2.774 178.303 175.800 -0.453 0.000 1.177 193 F CA 0.770 58.167 58.000 -1.005 0.000 1.450 193 F CB -0.097 38.317 39.000 -0.977 0.000 1.114 193 F HN 0.383 nan 8.300 nan 0.000 0.587 194 Q N -0.844 118.654 119.800 -0.504 0.000 2.451 194 Q HA -0.066 4.274 4.340 0.000 0.000 0.206 194 Q C -0.634 175.240 176.000 -0.210 0.000 0.947 194 Q CA 0.717 56.349 55.803 -0.284 0.000 0.937 194 Q CB -0.228 28.253 28.738 -0.428 0.000 1.025 194 Q HN 0.277 nan 8.270 nan 0.000 0.511 195 Y N 1.642 121.957 120.300 0.024 0.000 2.360 195 Y HA 0.323 4.873 4.550 0.000 0.000 0.337 195 Y C 0.568 176.344 175.900 -0.206 0.000 1.039 195 Y CA -1.450 56.608 58.100 -0.071 0.000 1.109 195 Y CB 1.584 39.962 38.460 -0.137 0.000 1.201 195 Y HN 0.107 nan 8.280 nan 0.000 0.458 196 S N 2.551 118.013 115.700 -0.397 0.000 2.617 196 S HA 0.218 4.688 4.470 0.000 0.000 0.259 196 S C -1.981 172.320 174.600 -0.500 0.000 1.301 196 S CA -0.959 56.568 58.200 -1.122 0.000 0.984 196 S CB 1.064 63.680 63.200 -0.973 0.000 0.954 196 S HN 0.429 nan 8.310 nan 0.000 0.572 197 P HA 0.001 nan 4.420 nan 0.000 0.215 197 P C 1.748 178.974 177.300 -0.124 0.000 1.153 197 P CA 1.739 64.726 63.100 -0.187 0.000 0.853 197 P CB -0.588 31.053 31.700 -0.099 0.000 0.788 198 G N -0.137 108.561 108.800 -0.169 0.000 2.446 198 G HA2 -0.288 3.673 3.960 0.000 0.000 0.217 198 G HA3 -0.288 3.673 3.960 0.000 0.000 0.217 198 G C 1.534 176.373 174.900 -0.102 0.000 1.168 198 G CA 0.708 45.753 45.100 -0.091 0.000 0.771 198 G HN 0.313 nan 8.290 nan 0.000 0.551 199 Q N -0.475 119.243 119.800 -0.136 0.000 2.119 199 Q HA -0.021 4.319 4.340 0.000 0.000 0.201 199 Q C 2.593 178.416 176.000 -0.295 0.000 0.972 199 Q CA 0.972 56.697 55.803 -0.129 0.000 0.847 199 Q CB -0.150 28.595 28.738 0.011 0.000 0.903 199 Q HN 0.470 nan 8.270 nan 0.000 0.433 200 R N 0.513 120.870 120.500 -0.239 0.000 2.075 200 R HA -0.125 4.215 4.340 0.000 0.000 0.232 200 R C 2.105 178.300 176.300 -0.175 0.000 1.126 200 R CA 1.120 57.057 56.100 -0.271 0.000 0.963 200 R CB -0.153 30.102 30.300 -0.076 0.000 0.858 200 R HN 0.098 nan 8.270 nan 0.000 0.435 201 V N 1.583 121.424 119.914 -0.121 0.000 2.255 201 V HA -0.285 3.836 4.120 0.000 0.000 0.247 201 V C 2.396 178.405 176.094 -0.141 0.000 1.051 201 V CA 2.365 64.599 62.300 -0.109 0.000 1.018 201 V CB -0.639 31.161 31.823 -0.039 0.000 0.641 201 V HN 0.516 nan 8.190 nan 0.000 0.445 202 E N -0.530 119.602 120.200 -0.113 0.000 2.070 202 E HA -0.304 4.046 4.350 0.000 0.000 0.197 202 E C 2.118 178.649 176.600 -0.116 0.000 1.004 202 E CA 2.017 58.358 56.400 -0.098 0.000 0.805 202 E CB -0.277 29.386 29.700 -0.063 0.000 0.744 202 E HN 0.539 nan 8.360 nan 0.000 0.451 203 F N 1.126 120.881 119.950 -0.324 0.000 2.102 203 F HA -0.170 4.357 4.527 0.000 0.000 0.298 203 F C 1.958 177.627 175.800 -0.217 0.000 1.105 203 F CA 1.447 59.251 58.000 -0.327 0.000 1.239 203 F CB -0.286 38.343 39.000 -0.618 0.000 0.991 203 F HN 0.018 nan 8.300 nan 0.000 0.474 204 L N -0.792 120.288 121.223 -0.237 0.000 1.989 204 L HA -0.251 4.089 4.340 0.000 0.000 0.211 204 L C 2.417 179.127 176.870 -0.267 0.000 1.071 204 L CA 1.287 55.968 54.840 -0.265 0.000 0.749 204 L CB -0.990 40.958 42.059 -0.185 0.000 0.890 204 L HN 0.011 nan 8.230 nan 0.000 0.431 205 V N 0.170 119.912 119.914 -0.286 0.000 2.261 205 V HA -0.293 3.827 4.120 0.000 0.000 0.246 205 V C 2.249 178.236 176.094 -0.179 0.000 1.047 205 V CA 2.046 64.162 62.300 -0.306 0.000 1.015 205 V CB -0.704 30.837 31.823 -0.469 0.000 0.642 205 V HN 0.489 nan 8.190 nan 0.000 0.446 206 N N 0.014 118.601 118.700 -0.190 0.000 2.149 206 N HA -0.148 4.592 4.740 0.000 0.000 0.188 206 N C 1.868 177.265 175.510 -0.188 0.000 1.019 206 N CA 1.957 54.915 53.050 -0.154 0.000 0.857 206 N CB -0.701 37.709 38.487 -0.130 0.000 0.997 206 N HN 0.481 nan 8.380 nan 0.000 0.426 207 T N 0.325 114.688 114.554 -0.318 0.000 2.777 207 T HA -0.132 4.218 4.350 0.000 0.000 0.266 207 T C 1.488 176.109 174.700 -0.131 0.000 1.040 207 T CA 0.609 62.516 62.100 -0.322 0.000 1.141 207 T CB -0.224 68.313 68.868 -0.551 0.000 0.868 207 T HN 0.429 nan 8.240 nan 0.000 0.444 208 W N 2.209 123.350 121.300 -0.265 0.000 2.358 208 W HA -0.108 4.552 4.660 0.000 0.000 0.303 208 W C 1.799 178.232 176.519 -0.144 0.000 1.208 208 W CA 1.201 58.431 57.345 -0.191 0.000 1.274 208 W CB -0.135 29.205 29.460 -0.201 0.000 1.138 208 W HN 0.259 nan 8.180 nan 0.000 0.515 209 K N 0.241 120.650 120.400 0.016 0.000 2.288 209 K HA -0.127 4.193 4.320 0.000 0.000 0.201 209 K C 2.131 178.673 176.600 -0.096 0.000 1.048 209 K CA 1.559 57.821 56.287 -0.041 0.000 0.956 209 K CB -0.325 32.172 32.500 -0.006 0.000 0.746 209 K HN 0.034 nan 8.250 nan 0.000 0.461 210 S N 0.636 116.269 115.700 -0.112 0.000 2.555 210 S HA -0.014 4.456 4.470 0.000 0.000 0.230 210 S C 0.429 174.954 174.600 -0.126 0.000 0.978 210 S CA 0.351 58.487 58.200 -0.106 0.000 0.934 210 S CB -0.008 63.129 63.200 -0.105 0.000 0.766 210 S HN -0.025 nan 8.310 nan 0.000 0.533 211 K N 1.451 121.740 120.400 -0.186 0.000 2.138 211 K HA 0.397 4.717 4.320 0.000 0.000 0.263 211 K C 0.338 176.821 176.600 -0.195 0.000 0.965 211 K CA -0.495 55.669 56.287 -0.205 0.000 0.868 211 K CB 1.427 33.748 32.500 -0.298 0.000 1.083 211 K HN 0.066 nan 8.250 nan 0.000 0.443 212 K N 0.992 121.307 120.400 -0.143 0.000 2.002 212 K HA -0.044 4.276 4.320 0.000 0.000 0.209 212 K C 0.263 176.782 176.600 -0.135 0.000 1.048 212 K CA 1.195 57.414 56.287 -0.114 0.000 0.930 212 K CB 0.148 32.601 32.500 -0.079 0.000 0.714 212 K HN 0.452 nan 8.250 nan 0.000 0.438 213 N N 1.370 119.980 118.700 -0.150 0.000 2.682 213 N HA 0.206 4.946 4.740 0.000 0.000 0.252 213 N C -2.872 172.496 175.510 -0.237 0.000 1.081 213 N CA -1.196 51.760 53.050 -0.156 0.000 0.844 213 N CB 1.743 40.181 38.487 -0.082 0.000 1.167 213 N HN 0.008 nan 8.380 nan 0.000 0.523 214 P HA 0.147 nan 4.420 nan 0.000 0.271 214 P C -0.329 176.619 177.300 -0.586 0.000 1.216 214 P CA -0.253 62.359 63.100 -0.815 0.000 0.776 214 P CB 1.207 31.756 31.700 -1.920 0.000 0.881 215 M N 2.307 121.671 119.600 -0.394 0.000 2.386 215 M HA 0.631 5.112 4.480 0.000 0.000 0.293 215 M C -1.198 175.091 176.300 -0.020 0.000 1.120 215 M CA -0.313 54.867 55.300 -0.200 0.000 0.909 215 M CB 2.495 35.021 32.600 -0.123 0.000 1.661 215 M HN 0.548 nan 8.290 nan 0.000 0.452 216 G N 3.913 112.804 108.800 0.152 0.000 2.612 216 G HA2 0.819 4.780 3.960 0.000 0.000 0.298 216 G HA3 0.819 4.780 3.960 0.000 0.000 0.298 216 G C -1.941 173.053 174.900 0.156 0.000 1.336 216 G CA -0.578 44.623 45.100 0.168 0.000 0.953 216 G HN 0.763 nan 8.290 nan 0.000 0.482 217 F N -0.085 119.825 119.950 -0.066 0.000 2.619 217 F HA 0.800 5.327 4.527 0.000 0.000 0.308 217 F C -0.108 175.675 175.800 -0.029 0.000 1.097 217 F CA -1.580 56.380 58.000 -0.066 0.000 0.953 217 F CB 1.468 40.414 39.000 -0.090 0.000 1.287 217 F HN 0.589 nan 8.300 nan 0.000 0.446 218 S N 1.386 117.143 115.700 0.096 0.000 2.617 218 S HA 0.605 5.075 4.470 0.000 0.000 0.283 218 S C -1.486 173.283 174.600 0.283 0.000 1.189 218 S CA -0.564 57.676 58.200 0.067 0.000 1.036 218 S CB 1.520 64.749 63.200 0.048 0.000 1.014 218 S HN 0.849 nan 8.310 nan 0.000 0.522 219 Y N 1.253 121.638 120.300 0.142 0.000 2.326 219 Y HA 0.426 4.976 4.550 0.000 0.000 0.331 219 Y C -1.031 174.987 175.900 0.197 0.000 0.962 219 Y CA -0.848 57.410 58.100 0.263 0.000 1.167 219 Y CB 1.390 40.103 38.460 0.422 0.000 1.148 219 Y HN 0.854 nan 8.280 nan 0.000 0.463 220 D N 4.557 124.833 120.400 -0.206 0.000 2.396 220 D HA 0.209 4.849 4.640 0.000 0.000 0.225 220 D C -0.605 175.557 176.300 -0.231 0.000 1.121 220 D CA -0.035 53.895 54.000 -0.116 0.000 0.853 220 D CB 0.924 41.680 40.800 -0.073 0.000 1.043 220 D HN 0.478 nan 8.370 nan 0.000 0.500 221 T N 3.504 118.099 114.554 0.069 0.000 2.901 221 T HA 0.096 4.446 4.350 0.000 0.000 0.301 221 T C 0.494 175.281 174.700 0.145 0.000 1.012 221 T CA -0.328 61.892 62.100 0.200 0.000 1.135 221 T CB 0.616 69.815 68.868 0.552 0.000 0.936 221 T HN 0.312 nan 8.240 nan 0.000 0.539 222 R N 2.062 122.614 120.500 0.085 0.000 2.288 222 R HA 0.224 4.564 4.340 0.000 0.000 0.330 222 R C -0.281 176.127 176.300 0.180 0.000 1.069 222 R CA -0.350 55.796 56.100 0.076 0.000 0.941 222 R CB -0.658 29.628 30.300 -0.024 0.000 0.998 222 R HN 0.941 nan 8.270 nan 0.000 0.452 223 C N 5.397 124.833 119.300 0.227 0.000 3.442 223 C HA -0.159 4.301 4.460 0.000 0.000 0.288 223 C C 1.286 176.482 174.990 0.344 0.000 1.238 223 C CA 0.031 59.231 59.018 0.303 0.000 2.320 223 C CB -3.028 24.949 27.740 0.396 0.000 1.459 223 C HN 1.040 nan 8.230 nan 0.000 0.544 224 F N 1.805 121.873 119.950 0.196 0.000 2.063 224 F HA -0.211 4.316 4.527 0.000 0.000 0.298 224 F C 2.001 177.909 175.800 0.180 0.000 1.109 224 F CA 2.448 60.562 58.000 0.190 0.000 1.212 224 F CB 0.025 39.127 39.000 0.170 0.000 0.973 224 F HN 0.496 nan 8.300 nan 0.000 0.480 225 D N -0.357 120.284 120.400 0.402 0.000 2.133 225 D HA -0.185 4.455 4.640 0.000 0.000 0.195 225 D C 2.467 178.832 176.300 0.109 0.000 0.997 225 D CA 1.719 55.879 54.000 0.267 0.000 0.840 225 D CB -0.639 40.316 40.800 0.259 0.000 0.947 225 D HN 0.242 nan 8.370 nan 0.000 0.452 226 S N -0.460 115.318 115.700 0.129 0.000 2.399 226 S HA -0.126 4.344 4.470 0.000 0.000 0.231 226 S C 2.052 176.611 174.600 -0.069 0.000 1.022 226 S CA 1.551 59.732 58.200 -0.031 0.000 0.983 226 S CB -0.315 62.856 63.200 -0.049 0.000 0.803 226 S HN 0.557 nan 8.310 nan 0.000 0.480 227 T N -0.407 114.181 114.554 0.056 0.000 3.085 227 T HA 0.119 4.469 4.350 0.000 0.000 0.263 227 T C 0.602 175.228 174.700 -0.123 0.000 1.127 227 T CA 0.048 62.167 62.100 0.033 0.000 1.103 227 T CB -0.416 68.421 68.868 -0.053 0.000 0.921 227 T HN 0.038 nan 8.240 nan 0.000 0.510 228 V N 3.936 123.744 119.914 -0.177 0.000 2.479 228 V HA 0.334 4.454 4.120 0.000 0.000 0.281 228 V C 1.131 177.174 176.094 -0.085 0.000 1.031 228 V CA -0.249 61.970 62.300 -0.135 0.000 1.038 228 V CB 0.229 32.018 31.823 -0.057 0.000 0.981 228 V HN 0.718 nan 8.190 nan 0.000 0.478 229 T N 0.714 115.231 114.554 -0.061 0.000 2.897 229 T HA 0.328 4.678 4.350 0.000 0.000 0.278 229 T C 1.038 175.719 174.700 -0.032 0.000 0.981 229 T CA -0.311 61.757 62.100 -0.052 0.000 0.973 229 T CB 1.523 70.365 68.868 -0.043 0.000 1.092 229 T HN 0.683 nan 8.240 nan 0.000 0.543 230 E N 0.534 120.717 120.200 -0.030 0.000 2.070 230 E HA -0.307 4.043 4.350 0.000 0.000 0.197 230 E C 1.954 178.552 176.600 -0.002 0.000 1.004 230 E CA 1.838 58.232 56.400 -0.010 0.000 0.805 230 E CB -0.276 29.418 29.700 -0.010 0.000 0.744 230 E HN 0.775 nan 8.360 nan 0.000 0.451 231 N N 0.631 119.325 118.700 -0.011 0.000 2.037 231 N HA -0.230 4.510 4.740 0.000 0.000 0.196 231 N C 1.521 177.041 175.510 0.016 0.000 1.034 231 N CA 2.352 55.400 53.050 -0.003 0.000 0.861 231 N CB -0.173 38.298 38.487 -0.026 0.000 1.039 231 N HN 0.162 nan 8.380 nan 0.000 0.427 232 D N -0.109 120.301 120.400 0.016 0.000 2.104 232 D HA -0.126 4.514 4.640 0.000 0.000 0.194 232 D C 2.024 178.336 176.300 0.020 0.000 0.994 232 D CA 1.091 55.115 54.000 0.040 0.000 0.830 232 D CB -0.295 40.524 40.800 0.031 0.000 0.959 232 D HN 0.471 nan 8.370 nan 0.000 0.452 233 I N 0.597 121.178 120.570 0.018 0.000 2.315 233 I HA -0.184 3.986 4.170 0.000 0.000 0.248 233 I C 2.502 178.625 176.117 0.010 0.000 1.117 233 I CA 0.830 62.145 61.300 0.024 0.000 1.404 233 I CB -0.061 37.976 38.000 0.061 0.000 1.071 233 I HN -0.106 nan 8.210 nan 0.000 0.419 234 R N 0.125 120.632 120.500 0.011 0.000 2.075 234 R HA -0.085 4.255 4.340 0.000 0.000 0.232 234 R C 2.339 178.619 176.300 -0.034 0.000 1.126 234 R CA 1.111 57.211 56.100 0.001 0.000 0.963 234 R CB -0.485 29.820 30.300 0.008 0.000 0.858 234 R HN 0.203 nan 8.270 nan 0.000 0.435 235 V N 2.162 122.061 119.914 -0.026 0.000 2.343 235 V HA -0.279 3.841 4.120 0.000 0.000 0.247 235 V C 2.529 178.537 176.094 -0.142 0.000 1.051 235 V CA 2.233 64.506 62.300 -0.044 0.000 1.036 235 V CB -0.635 31.202 31.823 0.023 0.000 0.654 235 V HN 0.498 nan 8.190 nan 0.000 0.451 236 E N 0.354 120.440 120.200 -0.190 0.000 2.072 236 E HA -0.294 4.057 4.350 0.000 0.000 0.191 236 E C 2.176 178.316 176.600 -0.767 0.000 0.985 236 E CA 1.661 57.810 56.400 -0.420 0.000 0.801 236 E CB -0.416 29.093 29.700 -0.317 0.000 0.750 236 E HN 0.694 nan 8.360 nan 0.000 0.452 237 E N 0.905 120.855 120.200 -0.417 0.000 2.077 237 E HA -0.196 4.154 4.350 0.000 0.000 0.193 237 E C 2.234 178.740 176.600 -0.156 0.000 0.989 237 E CA 1.726 57.986 56.400 -0.233 0.000 0.800 237 E CB -0.067 29.650 29.700 0.028 0.000 0.746 237 E HN 0.424 nan 8.360 nan 0.000 0.452 238 S N 0.106 115.728 115.700 -0.130 0.000 2.442 238 S HA -0.124 4.346 4.470 0.000 0.000 0.236 238 S C 2.008 176.556 174.600 -0.086 0.000 1.007 238 S CA 0.814 58.972 58.200 -0.071 0.000 0.965 238 S CB -0.444 62.725 63.200 -0.052 0.000 0.773 238 S HN 0.271 nan 8.310 nan 0.000 0.504 239 I N 0.102 120.566 120.570 -0.177 0.000 2.233 239 I HA -0.097 4.073 4.170 0.000 0.000 0.243 239 I C 2.286 178.391 176.117 -0.019 0.000 1.093 239 I CA 1.114 62.333 61.300 -0.136 0.000 1.380 239 I CB -0.503 37.380 38.000 -0.194 0.000 1.067 239 I HN 0.187 nan 8.210 nan 0.000 0.413 240 Y N 1.159 121.451 120.300 -0.013 0.000 2.151 240 Y HA -0.266 4.284 4.550 0.000 0.000 0.284 240 Y C 2.669 178.571 175.900 0.003 0.000 1.166 240 Y CA 0.781 58.878 58.100 -0.005 0.000 1.163 240 Y CB -1.228 37.242 38.460 0.017 0.000 0.974 240 Y HN 0.251 nan 8.280 nan 0.000 0.511 241 Q N -1.080 118.810 119.800 0.151 0.000 2.364 241 Q HA -0.133 4.207 4.340 0.000 0.000 0.207 241 Q C 2.396 178.427 176.000 0.052 0.000 0.970 241 Q CA 1.093 56.949 55.803 0.088 0.000 0.888 241 Q CB -0.894 27.880 28.738 0.059 0.000 0.951 241 Q HN 0.538 nan 8.270 nan 0.000 0.469 242 C N 0.314 119.638 119.300 0.038 0.000 2.419 242 C HA -0.081 4.379 4.460 0.000 0.000 0.281 242 C C 1.690 176.696 174.990 0.026 0.000 1.336 242 C CA -0.641 58.390 59.018 0.021 0.000 1.770 242 C CB -0.830 26.912 27.740 0.004 0.000 1.929 242 C HN 0.418 nan 8.230 nan 0.000 0.509 243 C N 1.723 121.049 119.300 0.042 0.000 2.745 243 C HA 0.121 4.581 4.460 0.000 0.000 0.387 243 C C 0.561 175.569 174.990 0.029 0.000 1.312 243 C CA -0.163 58.875 59.018 0.033 0.000 2.204 243 C CB -0.293 27.471 27.740 0.040 0.000 2.686 243 C HN 0.499 nan 8.230 nan 0.000 0.705 244 D N 1.543 121.956 120.400 0.021 0.000 2.352 244 D HA 0.488 5.129 4.640 0.000 0.000 0.245 244 D C -0.651 175.665 176.300 0.028 0.000 1.224 244 D CA 0.318 54.331 54.000 0.022 0.000 0.879 244 D CB -0.030 40.779 40.800 0.015 0.000 1.057 244 D HN 0.386 nan 8.370 nan 0.000 0.491 245 L N 2.009 123.253 121.223 0.035 0.000 2.371 245 L HA 0.657 4.998 4.340 0.000 0.000 0.262 245 L C 0.389 177.288 176.870 0.048 0.000 1.006 245 L CA -1.496 53.371 54.840 0.045 0.000 0.818 245 L CB 1.839 43.932 42.059 0.056 0.000 1.354 245 L HN 0.315 nan 8.230 nan 0.000 0.415 246 A N 1.969 124.825 122.820 0.059 0.000 2.483 246 A HA 0.294 4.614 4.320 0.000 0.000 0.238 246 A C -1.789 175.837 177.584 0.070 0.000 1.070 246 A CA -0.686 51.389 52.037 0.064 0.000 0.770 246 A CB -0.223 18.825 19.000 0.080 0.000 1.008 246 A HN 0.641 nan 8.150 nan 0.000 0.497 247 P HA -0.168 nan 4.420 nan 0.000 0.216 247 P C 1.110 178.445 177.300 0.059 0.000 1.153 247 P CA 1.622 64.752 63.100 0.050 0.000 0.858 247 P CB 0.157 31.882 31.700 0.041 0.000 0.789 248 E N -0.653 119.609 120.200 0.103 0.000 2.106 248 E HA -0.145 4.205 4.350 0.000 0.000 0.192 248 E C 2.079 178.763 176.600 0.140 0.000 0.984 248 E CA 1.105 57.591 56.400 0.143 0.000 0.806 248 E CB -0.483 29.406 29.700 0.316 0.000 0.750 248 E HN 0.148 nan 8.360 nan 0.000 0.458 249 A N 1.742 124.675 122.820 0.188 0.000 1.883 249 A HA -0.221 4.099 4.320 0.000 0.000 0.217 249 A C 2.076 179.706 177.584 0.077 0.000 1.186 249 A CA 1.343 53.483 52.037 0.172 0.000 0.624 249 A CB -0.459 18.633 19.000 0.153 0.000 0.822 249 A HN 0.097 nan 8.150 nan 0.000 0.444 250 R N -1.151 119.383 120.500 0.057 0.000 2.103 250 R HA -0.223 4.118 4.340 0.000 0.000 0.242 250 R C 2.514 178.814 176.300 0.000 0.000 1.142 250 R CA 1.880 58.003 56.100 0.037 0.000 0.960 250 R CB -0.327 29.992 30.300 0.032 0.000 0.858 250 R HN 0.676 nan 8.270 nan 0.000 0.439 251 Q N 0.482 120.260 119.800 -0.036 0.000 2.046 251 Q HA -0.063 4.277 4.340 0.000 0.000 0.200 251 Q C 1.958 177.862 176.000 -0.159 0.000 0.975 251 Q CA 1.963 57.711 55.803 -0.091 0.000 0.836 251 Q CB -0.234 28.437 28.738 -0.112 0.000 0.896 251 Q HN 0.336 nan 8.270 nan 0.000 0.428 252 A N 0.080 122.756 122.820 -0.240 0.000 1.933 252 A HA -0.130 4.191 4.320 0.000 0.000 0.218 252 A C 2.112 179.597 177.584 -0.164 0.000 1.175 252 A CA 1.453 53.271 52.037 -0.365 0.000 0.628 252 A CB -0.709 17.911 19.000 -0.635 0.000 0.814 252 A HN 0.486 nan 8.150 nan 0.000 0.444 253 I N -0.687 119.859 120.570 -0.040 0.000 2.252 253 I HA -0.232 3.939 4.170 0.000 0.000 0.245 253 I C 2.512 178.662 176.117 0.055 0.000 1.102 253 I CA 1.724 63.062 61.300 0.063 0.000 1.385 253 I CB -0.204 37.873 38.000 0.128 0.000 1.064 253 I HN 0.381 nan 8.210 nan 0.000 0.414 254 K N 0.522 120.928 120.400 0.010 0.000 2.026 254 K HA -0.208 4.112 4.320 0.000 0.000 0.208 254 K C 2.361 178.933 176.600 -0.046 0.000 1.048 254 K CA 1.832 58.118 56.287 -0.000 0.000 0.929 254 K CB -0.107 32.384 32.500 -0.016 0.000 0.713 254 K HN 0.085 nan 8.250 nan 0.000 0.439 255 S N 0.589 116.229 115.700 -0.100 0.000 2.356 255 S HA -0.074 4.396 4.470 0.000 0.000 0.223 255 S C 1.915 176.409 174.600 -0.177 0.000 1.032 255 S CA 1.164 59.281 58.200 -0.138 0.000 1.005 255 S CB -0.247 62.840 63.200 -0.188 0.000 0.867 255 S HN 0.334 nan 8.310 nan 0.000 0.449 256 L N 0.726 121.808 121.223 -0.234 0.000 2.083 256 L HA -0.108 4.233 4.340 0.000 0.000 0.209 256 L C 2.731 179.270 176.870 -0.553 0.000 1.083 256 L CA 1.475 56.036 54.840 -0.464 0.000 0.752 256 L CB -1.007 40.718 42.059 -0.556 0.000 0.899 256 L HN 0.322 nan 8.230 nan 0.000 0.433 257 T N -0.906 113.541 114.554 -0.178 0.000 2.674 257 T HA -0.160 4.190 4.350 0.000 0.000 0.265 257 T C 1.798 176.495 174.700 -0.004 0.000 1.039 257 T CA 1.279 63.414 62.100 0.059 0.000 1.150 257 T CB -0.118 68.853 68.868 0.172 0.000 0.864 257 T HN 0.309 nan 8.240 nan 0.000 0.427 258 E N 0.983 121.162 120.200 -0.035 0.000 2.106 258 E HA -0.037 4.313 4.350 0.000 0.000 0.192 258 E C 2.377 178.951 176.600 -0.042 0.000 0.984 258 E CA 0.960 57.344 56.400 -0.026 0.000 0.806 258 E CB -0.118 29.564 29.700 -0.030 0.000 0.750 258 E HN 0.451 nan 8.360 nan 0.000 0.458 259 R N -0.611 119.834 120.500 -0.092 0.000 2.189 259 R HA 0.096 4.436 4.340 0.000 0.000 0.203 259 R C 1.857 178.094 176.300 -0.106 0.000 1.012 259 R CA 0.272 56.320 56.100 -0.087 0.000 1.015 259 R CB 0.249 30.486 30.300 -0.104 0.000 0.938 259 R HN 0.039 nan 8.270 nan 0.000 0.472 260 L N -2.001 119.117 121.223 -0.175 0.000 2.666 260 L HA 0.187 4.527 4.340 0.000 0.000 0.184 260 L C 1.305 178.156 176.870 -0.032 0.000 1.092 260 L CA 0.946 55.684 54.840 -0.169 0.000 0.857 260 L CB -0.336 41.537 42.059 -0.310 0.000 1.281 260 L HN -0.106 nan 8.230 nan 0.000 0.489 261 Y N 0.282 120.591 120.300 0.015 0.000 2.242 261 Y HA -0.009 4.541 4.550 0.000 0.000 0.291 261 Y C 2.542 178.443 175.900 0.001 0.000 1.137 261 Y CA 1.251 59.368 58.100 0.028 0.000 1.181 261 Y CB -0.853 37.649 38.460 0.070 0.000 0.989 261 Y HN 0.117 nan 8.280 nan 0.000 0.527 262 I N -0.923 119.727 120.570 0.134 0.000 2.394 262 I HA -0.044 4.127 4.170 0.000 0.000 0.251 262 I C 1.227 177.343 176.117 -0.000 0.000 1.136 262 I CA 1.314 62.649 61.300 0.059 0.000 1.425 262 I CB -0.339 37.689 38.000 0.046 0.000 1.079 262 I HN 0.294 nan 8.210 nan 0.000 0.425 263 G N -1.040 107.736 108.800 -0.039 0.000 2.324 263 G HA2 0.479 4.439 3.960 0.000 0.000 0.293 263 G HA3 0.479 4.439 3.960 0.000 0.000 0.293 263 G C -1.005 173.718 174.900 -0.295 0.000 1.297 263 G CA -0.197 44.800 45.100 -0.172 0.000 0.853 263 G HN 0.405 nan 8.290 nan 0.000 0.535 264 G N -0.958 107.380 108.800 -0.771 0.000 2.321 264 G HA2 0.705 4.665 3.960 0.000 0.000 0.298 264 G HA3 0.705 4.665 3.960 0.000 0.000 0.298 264 G C -3.490 170.789 174.900 -1.036 0.000 1.385 264 G CA 0.088 44.725 45.100 -0.772 0.000 0.856 264 G HN 0.765 nan 8.290 nan 0.000 0.584 265 P HA 0.503 nan 4.420 nan 0.000 0.274 265 P C -0.603 176.625 177.300 -0.119 0.000 1.231 265 P CA -0.213 62.807 63.100 -0.133 0.000 0.790 265 P CB 1.234 32.974 31.700 0.067 0.000 0.951 266 L N 1.837 123.039 121.223 -0.034 0.000 2.333 266 L HA 0.476 4.817 4.340 0.000 0.000 0.280 266 L C 0.297 177.184 176.870 0.028 0.000 1.004 266 L CA -0.253 54.587 54.840 0.001 0.000 0.820 266 L CB 1.917 44.024 42.059 0.080 0.000 1.247 266 L HN 0.257 nan 8.230 nan 0.000 0.416 267 T N 1.342 115.887 114.554 -0.014 0.000 2.824 267 T HA 0.326 4.676 4.350 0.000 0.000 0.282 267 T C -0.209 174.477 174.700 -0.024 0.000 0.993 267 T CA -0.831 61.261 62.100 -0.015 0.000 0.967 267 T CB 1.419 70.261 68.868 -0.043 0.000 0.960 267 T HN 0.650 nan 8.240 nan 0.000 0.441 268 N N 0.920 119.622 118.700 0.002 0.000 2.347 268 N HA 0.095 4.835 4.740 0.000 0.000 0.253 268 N C 1.446 176.949 175.510 -0.012 0.000 1.274 268 N CA -0.214 52.837 53.050 0.002 0.000 0.941 268 N CB 0.187 38.683 38.487 0.014 0.000 1.200 268 N HN 0.453 nan 8.380 nan 0.000 0.514 269 S N -0.860 114.842 115.700 0.004 0.000 2.442 269 S HA -0.127 4.343 4.470 0.000 0.000 0.236 269 S C 1.092 175.689 174.600 -0.004 0.000 1.007 269 S CA 0.750 58.955 58.200 0.008 0.000 0.965 269 S CB -0.444 62.775 63.200 0.031 0.000 0.773 269 S HN 0.641 nan 8.310 nan 0.000 0.504 270 K N 0.731 121.129 120.400 -0.003 0.000 2.459 270 K HA 0.251 4.571 4.320 0.000 0.000 0.193 270 K C 1.298 177.889 176.600 -0.015 0.000 1.030 270 K CA 0.411 56.694 56.287 -0.007 0.000 1.026 270 K CB -0.207 32.292 32.500 -0.001 0.000 0.809 270 K HN 0.560 nan 8.250 nan 0.000 0.504 271 G N 1.636 110.424 108.800 -0.019 0.000 2.141 271 G HA2 -0.267 3.693 3.960 0.000 0.000 0.231 271 G HA3 -0.267 3.693 3.960 0.000 0.000 0.231 271 G C -0.336 174.559 174.900 -0.008 0.000 0.984 271 G CA -0.259 44.827 45.100 -0.024 0.000 0.660 271 G HN 0.319 nan 8.290 nan 0.000 0.525 272 Q N 0.167 119.969 119.800 0.003 0.000 2.259 272 Q HA 0.311 4.651 4.340 0.000 0.000 0.246 272 Q C 0.456 176.474 176.000 0.030 0.000 0.920 272 Q CA -0.519 55.294 55.803 0.017 0.000 0.895 272 Q CB 0.978 29.729 28.738 0.021 0.000 1.220 272 Q HN 0.415 nan 8.270 nan 0.000 0.439 273 N N 1.626 120.351 118.700 0.041 0.000 2.431 273 N HA -0.014 4.726 4.740 0.000 0.000 0.265 273 N C -0.204 175.362 175.510 0.094 0.000 1.184 273 N CA -0.379 52.708 53.050 0.062 0.000 0.943 273 N CB 0.519 39.044 38.487 0.063 0.000 1.080 273 N HN 0.600 nan 8.380 nan 0.000 0.477 274 C N 3.035 122.411 119.300 0.126 0.000 2.634 274 C HA 0.380 4.840 4.460 0.000 0.000 0.268 274 C C 1.265 176.441 174.990 0.311 0.000 1.322 274 C CA 0.553 59.698 59.018 0.211 0.000 1.737 274 C CB -1.190 26.693 27.740 0.239 0.000 1.976 274 C HN 0.987 nan 8.230 nan 0.000 0.547 275 G N -1.191 107.730 108.800 0.202 0.000 2.288 275 G HA2 0.197 4.157 3.960 0.000 0.000 0.227 275 G HA3 0.197 4.157 3.960 0.000 0.000 0.227 275 G C -1.940 173.029 174.900 0.114 0.000 1.339 275 G CA -0.426 44.761 45.100 0.145 0.000 1.057 275 G HN 0.047 nan 8.290 nan 0.000 0.470 276 Y N 0.789 121.001 120.300 -0.147 0.000 2.504 276 Y HA 0.762 5.312 4.550 0.000 0.000 0.344 276 Y C 0.007 175.776 175.900 -0.219 0.000 1.023 276 Y CA -0.829 57.187 58.100 -0.141 0.000 1.020 276 Y CB 1.983 40.368 38.460 -0.125 0.000 1.282 276 Y HN 0.702 nan 8.280 nan 0.000 0.454 277 R N 4.752 124.949 120.500 -0.505 0.000 2.393 277 R HA 0.526 4.866 4.340 0.000 0.000 0.310 277 R C -0.684 175.365 176.300 -0.417 0.000 0.968 277 R CA -0.557 55.240 56.100 -0.506 0.000 0.867 277 R CB 0.886 30.967 30.300 -0.365 0.000 1.124 277 R HN 0.922 nan 8.270 nan 0.000 0.450 278 R N 3.102 123.369 120.500 -0.388 0.000 2.662 278 R HA 0.206 4.547 4.340 0.000 0.000 0.396 278 R C -0.416 175.735 176.300 -0.250 0.000 1.096 278 R CA -0.298 55.676 56.100 -0.209 0.000 1.081 278 R CB 0.395 30.627 30.300 -0.115 0.000 1.382 278 R HN 0.755 nan 8.270 nan 0.000 0.580 279 C N -1.864 117.235 119.300 -0.333 0.000 3.308 279 C HA 0.612 5.072 4.460 0.000 0.000 0.360 279 C C -0.167 174.746 174.990 -0.129 0.000 1.695 279 C CA -1.560 57.312 59.018 -0.243 0.000 1.366 279 C CB 1.184 28.720 27.740 -0.339 0.000 2.121 279 C HN 0.316 nan 8.230 nan 0.000 0.442 280 R N 1.227 121.705 120.500 -0.037 0.000 2.502 280 R HA 0.451 4.792 4.340 0.000 0.000 0.292 280 R C 0.155 176.503 176.300 0.080 0.000 0.998 280 R CA 0.957 57.089 56.100 0.052 0.000 1.056 280 R CB -0.224 30.150 30.300 0.123 0.000 0.939 280 R HN 1.152 nan 8.270 nan 0.000 0.411 281 A N 3.651 126.531 122.820 0.101 0.000 2.409 281 A HA 0.201 4.521 4.320 0.000 0.000 0.262 281 A C 0.994 178.673 177.584 0.158 0.000 1.113 281 A CA 0.164 52.285 52.037 0.140 0.000 0.790 281 A CB 0.378 19.469 19.000 0.153 0.000 1.046 281 A HN 1.007 nan 8.150 nan 0.000 0.496 282 S N 1.914 117.722 115.700 0.181 0.000 2.527 282 S HA 0.119 4.590 4.470 0.000 0.000 0.222 282 S C 1.027 175.720 174.600 0.155 0.000 0.985 282 S CA 0.659 58.960 58.200 0.168 0.000 0.921 282 S CB 0.098 63.404 63.200 0.177 0.000 0.772 282 S HN 1.276 nan 8.310 nan 0.000 0.529 283 G N 1.753 110.666 108.800 0.188 0.000 4.433 283 G HA2 0.518 4.479 3.960 0.000 0.000 0.304 283 G HA3 0.518 4.479 3.960 0.000 0.000 0.304 283 G C -0.171 174.851 174.900 0.204 0.000 1.254 283 G CA -0.060 45.156 45.100 0.193 0.000 0.999 283 G HN 0.601 nan 8.290 nan 0.000 0.576 284 V N -2.445 117.571 119.914 0.170 0.000 3.019 284 V HA 0.601 4.721 4.120 0.000 0.000 0.317 284 V C 1.405 177.570 176.094 0.119 0.000 1.094 284 V CA -0.940 61.476 62.300 0.194 0.000 1.000 284 V CB 1.760 33.761 31.823 0.297 0.000 1.060 284 V HN 0.069 nan 8.190 nan 0.000 0.443 285 L N 2.557 123.866 121.223 0.142 0.000 2.079 285 L HA -0.068 4.272 4.340 0.000 0.000 0.210 285 L C 2.343 179.221 176.870 0.013 0.000 1.081 285 L CA 3.139 58.043 54.840 0.107 0.000 0.752 285 L CB -0.757 41.393 42.059 0.151 0.000 0.896 285 L HN 1.105 nan 8.230 nan 0.000 0.433 286 T N -5.796 108.684 114.554 -0.123 0.000 3.148 286 T HA -0.005 4.345 4.350 0.000 0.000 0.253 286 T C 1.573 176.208 174.700 -0.109 0.000 1.134 286 T CA 0.722 62.702 62.100 -0.200 0.000 1.051 286 T CB -0.764 67.830 68.868 -0.456 0.000 0.959 286 T HN 0.304 nan 8.240 nan 0.000 0.525 287 T N 2.101 116.625 114.554 -0.050 0.000 2.607 287 T HA -0.190 4.160 4.350 0.000 0.000 0.267 287 T C 2.184 176.901 174.700 0.029 0.000 1.049 287 T CA 1.886 63.997 62.100 0.017 0.000 1.162 287 T CB -0.804 68.098 68.868 0.058 0.000 0.863 287 T HN 0.548 nan 8.240 nan 0.000 0.424 288 S N -0.269 115.427 115.700 -0.008 0.000 2.353 288 S HA -0.178 4.292 4.470 0.000 0.000 0.222 288 S C 2.452 177.069 174.600 0.029 0.000 1.035 288 S CA 1.611 59.799 58.200 -0.020 0.000 1.025 288 S CB -0.989 62.094 63.200 -0.195 0.000 0.902 288 S HN 0.672 nan 8.310 nan 0.000 0.440 289 C N 1.222 120.508 119.300 -0.022 0.000 2.432 289 C HA 0.117 4.577 4.460 0.000 0.000 0.277 289 C C 2.842 177.874 174.990 0.070 0.000 1.249 289 C CA 1.029 60.048 59.018 0.002 0.000 1.725 289 C CB -1.848 25.860 27.740 -0.052 0.000 2.028 289 C HN 0.723 nan 8.230 nan 0.000 0.477 290 G N 0.663 109.516 108.800 0.088 0.000 2.459 290 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 290 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 290 G C 1.503 176.485 174.900 0.136 0.000 1.183 290 G CA 1.248 46.410 45.100 0.104 0.000 0.776 290 G HN 0.587 nan 8.290 nan 0.000 0.552 291 N N 0.318 119.104 118.700 0.145 0.000 2.104 291 N HA -0.080 4.660 4.740 0.000 0.000 0.190 291 N C 2.426 177.973 175.510 0.061 0.000 1.024 291 N CA 1.655 54.800 53.050 0.158 0.000 0.853 291 N CB -0.760 37.729 38.487 0.003 0.000 1.008 291 N HN 0.281 nan 8.380 nan 0.000 0.424 292 T N 1.670 116.270 114.554 0.076 0.000 2.674 292 T HA -0.024 4.326 4.350 0.000 0.000 0.265 292 T C 2.125 176.895 174.700 0.116 0.000 1.039 292 T CA 0.762 62.920 62.100 0.096 0.000 1.150 292 T CB -0.382 68.603 68.868 0.194 0.000 0.864 292 T HN 0.130 nan 8.240 nan 0.000 0.427 293 L N 0.713 121.984 121.223 0.080 0.000 2.042 293 L HA -0.151 4.189 4.340 0.000 0.000 0.210 293 L C 2.936 179.897 176.870 0.152 0.000 1.076 293 L CA 1.351 56.233 54.840 0.071 0.000 0.749 293 L CB -1.150 40.910 42.059 0.002 0.000 0.893 293 L HN 0.298 nan 8.230 nan 0.000 0.432 294 T N -1.459 113.209 114.554 0.190 0.000 2.777 294 T HA -0.213 4.137 4.350 0.000 0.000 0.266 294 T C 2.029 176.938 174.700 0.348 0.000 1.040 294 T CA 1.386 63.641 62.100 0.259 0.000 1.141 294 T CB -0.457 68.600 68.868 0.315 0.000 0.868 294 T HN 0.450 nan 8.240 nan 0.000 0.444 295 C N 0.686 120.229 119.300 0.405 0.000 2.432 295 C HA -0.094 4.367 4.460 0.000 0.000 0.277 295 C C 2.403 177.544 174.990 0.251 0.000 1.249 295 C CA 0.564 59.797 59.018 0.359 0.000 1.725 295 C CB -1.373 26.429 27.740 0.104 0.000 2.028 295 C HN 0.653 nan 8.230 nan 0.000 0.477 296 Y N 0.984 121.339 120.300 0.092 0.000 2.181 296 Y HA -0.121 4.429 4.550 0.000 0.000 0.288 296 Y C 2.163 178.079 175.900 0.026 0.000 1.146 296 Y CA 2.084 60.216 58.100 0.054 0.000 1.164 296 Y CB -0.548 37.927 38.460 0.024 0.000 0.982 296 Y HN 0.348 nan 8.280 nan 0.000 0.515 297 L N 1.082 122.379 121.223 0.123 0.000 1.976 297 L HA -0.189 4.151 4.340 0.000 0.000 0.209 297 L C 2.144 178.929 176.870 -0.142 0.000 1.071 297 L CA 2.039 56.837 54.840 -0.070 0.000 0.746 297 L CB -0.983 41.018 42.059 -0.096 0.000 0.890 297 L HN 0.138 nan 8.230 nan 0.000 0.432 298 K N -0.407 119.986 120.400 -0.012 0.000 2.032 298 K HA -0.125 4.195 4.320 0.000 0.000 0.209 298 K C 2.086 178.707 176.600 0.034 0.000 1.048 298 K CA 1.503 57.803 56.287 0.022 0.000 0.927 298 K CB -0.468 32.130 32.500 0.165 0.000 0.712 298 K HN 0.523 nan 8.250 nan 0.000 0.441 299 A N 1.007 123.839 122.820 0.019 0.000 1.898 299 A HA -0.144 4.176 4.320 0.000 0.000 0.216 299 A C 2.239 179.836 177.584 0.022 0.000 1.181 299 A CA 1.786 53.853 52.037 0.049 0.000 0.620 299 A CB -0.577 18.518 19.000 0.157 0.000 0.819 299 A HN 0.174 nan 8.150 nan 0.000 0.442 300 S N -0.114 115.479 115.700 -0.180 0.000 2.370 300 S HA -0.119 4.351 4.470 0.000 0.000 0.226 300 S C 2.256 176.790 174.600 -0.109 0.000 1.033 300 S CA 1.386 59.441 58.200 -0.243 0.000 1.011 300 S CB -0.438 62.452 63.200 -0.517 0.000 0.852 300 S HN 0.803 nan 8.310 nan 0.000 0.457 301 A N 1.109 123.887 122.820 -0.070 0.000 1.968 301 A HA 0.277 4.598 4.320 0.000 0.000 0.217 301 A C 2.294 179.944 177.584 0.110 0.000 1.169 301 A CA 1.423 53.483 52.037 0.037 0.000 0.638 301 A CB -0.847 18.183 19.000 0.049 0.000 0.812 301 A HN 0.502 nan 8.150 nan 0.000 0.446 302 A N -1.046 121.833 122.820 0.098 0.000 1.969 302 A HA -0.116 4.204 4.320 0.000 0.000 0.218 302 A C 2.232 179.847 177.584 0.051 0.000 1.169 302 A CA 1.512 53.479 52.037 -0.117 0.000 0.635 302 A CB -1.150 17.401 19.000 -0.747 0.000 0.810 302 A HN 0.568 nan 8.150 nan 0.000 0.445 303 C N -0.755 118.663 119.300 0.197 0.000 2.429 303 C HA -0.087 4.373 4.460 0.000 0.000 0.277 303 C C 2.882 177.889 174.990 0.029 0.000 1.262 303 C CA 1.125 60.279 59.018 0.226 0.000 1.733 303 C CB -1.254 26.575 27.740 0.149 0.000 2.010 303 C HN 0.614 nan 8.230 nan 0.000 0.483 304 R N 1.096 121.518 120.500 -0.130 0.000 2.081 304 R HA -0.082 4.258 4.340 0.000 0.000 0.235 304 R C 2.392 178.455 176.300 -0.396 0.000 1.131 304 R CA 1.547 57.429 56.100 -0.363 0.000 0.960 304 R CB -0.535 29.344 30.300 -0.703 0.000 0.856 304 R HN 0.542 nan 8.270 nan 0.000 0.436 305 A N 1.430 124.091 122.820 -0.265 0.000 1.902 305 A HA -0.082 4.238 4.320 0.000 0.000 0.217 305 A C 2.232 179.827 177.584 0.018 0.000 1.181 305 A CA 1.715 53.744 52.037 -0.012 0.000 0.623 305 A CB -0.476 18.555 19.000 0.051 0.000 0.818 305 A HN 0.387 nan 8.150 nan 0.000 0.443 306 A N -1.401 121.441 122.820 0.037 0.000 2.238 306 A HA 0.255 4.575 4.320 0.000 0.000 0.208 306 A C 1.010 178.622 177.584 0.047 0.000 1.177 306 A CA 0.732 52.811 52.037 0.069 0.000 0.804 306 A CB -0.466 18.630 19.000 0.160 0.000 0.823 306 A HN 0.490 nan 8.150 nan 0.000 0.482 307 K N -1.283 119.130 120.400 0.022 0.000 3.016 307 K HA -0.180 4.140 4.320 0.000 0.000 0.262 307 K C -0.787 175.825 176.600 0.020 0.000 1.043 307 K CA 0.259 56.554 56.287 0.013 0.000 0.761 307 K CB -1.770 30.741 32.500 0.019 0.000 1.230 307 K HN 0.349 nan 8.250 nan 0.000 0.485 308 L N 1.770 123.016 121.223 0.038 0.000 2.578 308 L HA -0.079 4.262 4.340 0.000 0.000 0.279 308 L C 0.999 177.879 176.870 0.016 0.000 1.227 308 L CA 1.305 56.168 54.840 0.038 0.000 0.900 308 L CB 0.299 42.401 42.059 0.071 0.000 1.144 308 L HN 0.087 nan 8.230 nan 0.000 0.496 309 Q N 2.759 122.562 119.800 0.006 0.000 2.278 309 Q HA 0.109 4.449 4.340 0.000 0.000 0.257 309 Q C -0.078 175.911 176.000 -0.018 0.000 0.928 309 Q CA -0.432 55.367 55.803 -0.007 0.000 0.932 309 Q CB 0.949 29.681 28.738 -0.010 0.000 1.221 309 Q HN 0.522 nan 8.270 nan 0.000 0.434 310 D N 1.107 121.496 120.400 -0.018 0.000 2.735 310 D HA -0.186 4.454 4.640 0.000 0.000 0.235 310 D C -0.958 175.324 176.300 -0.030 0.000 1.175 310 D CA 0.249 54.234 54.000 -0.025 0.000 0.683 310 D CB -0.912 39.864 40.800 -0.039 0.000 1.008 310 D HN 0.524 nan 8.370 nan 0.000 0.416 311 C N 0.778 120.068 119.300 -0.016 0.000 2.653 311 C HA 0.426 4.886 4.460 0.000 0.000 0.421 311 C C 0.866 175.850 174.990 -0.010 0.000 1.334 311 C CA 0.209 59.217 59.018 -0.017 0.000 1.885 311 C CB 0.180 27.918 27.740 -0.003 0.000 2.645 311 C HN 0.486 nan 8.230 nan 0.000 0.601 312 T N 5.835 120.376 114.554 -0.022 0.000 2.881 312 T HA 0.425 4.775 4.350 0.000 0.000 0.291 312 T C -0.474 174.242 174.700 0.028 0.000 0.990 312 T CA -0.242 61.873 62.100 0.024 0.000 0.976 312 T CB 1.111 69.969 68.868 -0.017 0.000 0.970 312 T HN 0.566 nan 8.240 nan 0.000 0.438 313 M N 3.168 122.826 119.600 0.097 0.000 2.363 313 M HA 0.624 5.104 4.480 0.000 0.000 0.343 313 M C -1.231 175.180 176.300 0.185 0.000 1.165 313 M CA -0.965 54.385 55.300 0.085 0.000 1.046 313 M CB 1.570 34.219 32.600 0.082 0.000 1.648 313 M HN 0.360 nan 8.290 nan 0.000 0.452 314 L N 4.148 125.443 121.223 0.119 0.000 2.376 314 L HA 0.693 5.033 4.340 0.000 0.000 0.275 314 L C -1.568 175.305 176.870 0.006 0.000 0.987 314 L CA -0.496 54.408 54.840 0.107 0.000 0.828 314 L CB 1.808 43.965 42.059 0.163 0.000 1.249 314 L HN 0.453 nan 8.230 nan 0.000 0.409 315 V N 4.304 124.197 119.914 -0.035 0.000 2.531 315 V HA 0.557 4.677 4.120 0.000 0.000 0.301 315 V C -0.751 175.176 176.094 -0.279 0.000 1.034 315 V CA -0.635 61.625 62.300 -0.067 0.000 0.865 315 V CB 1.891 33.769 31.823 0.092 0.000 0.995 315 V HN 0.785 nan 8.190 nan 0.000 0.424 316 N N 3.740 122.212 118.700 -0.380 0.000 2.682 316 N HA 0.602 5.342 4.740 0.000 0.000 0.252 316 N C 0.674 176.017 175.510 -0.277 0.000 1.081 316 N CA 0.507 53.088 53.050 -0.782 0.000 0.844 316 N CB 1.704 39.606 38.487 -0.976 0.000 1.167 316 N HN 1.042 nan 8.380 nan 0.000 0.523 317 G N 2.515 111.320 108.800 0.009 0.000 2.660 317 G HA2 -0.439 3.521 3.960 0.000 0.000 0.321 317 G HA3 -0.439 3.521 3.960 0.000 0.000 0.321 317 G C 0.674 175.421 174.900 -0.255 0.000 1.246 317 G CA 0.974 46.084 45.100 0.017 0.000 1.000 317 G HN 0.626 nan 8.290 nan 0.000 0.550 318 D N 1.199 121.370 120.400 -0.380 0.000 2.363 318 D HA 0.113 4.754 4.640 0.000 0.000 0.226 318 D C 0.549 176.704 176.300 -0.243 0.000 1.020 318 D CA 0.995 54.587 54.000 -0.680 0.000 0.892 318 D CB -0.082 40.342 40.800 -0.626 0.000 0.900 318 D HN 0.430 nan 8.370 nan 0.000 0.531 319 D N 0.428 120.748 120.400 -0.133 0.000 2.280 319 D HA 0.315 4.955 4.640 0.000 0.000 0.243 319 D C -1.071 175.205 176.300 -0.040 0.000 1.129 319 D CA -0.619 53.350 54.000 -0.051 0.000 0.848 319 D CB 1.144 41.910 40.800 -0.057 0.000 1.107 319 D HN 0.038 nan 8.370 nan 0.000 0.471 320 L N 5.108 126.352 121.223 0.035 0.000 2.410 320 L HA 0.538 4.878 4.340 0.000 0.000 0.270 320 L C -1.764 175.099 176.870 -0.012 0.000 0.983 320 L CA -0.681 54.185 54.840 0.044 0.000 0.822 320 L CB 1.873 44.027 42.059 0.160 0.000 1.285 320 L HN 0.157 nan 8.230 nan 0.000 0.409 321 V N 5.780 125.642 119.914 -0.086 0.000 2.789 321 V HA 0.800 4.920 4.120 0.000 0.000 0.311 321 V C -1.360 174.563 176.094 -0.286 0.000 1.073 321 V CA -0.380 61.803 62.300 -0.196 0.000 0.921 321 V CB 2.496 34.247 31.823 -0.120 0.000 1.009 321 V HN 0.590 nan 8.190 nan 0.000 0.426 322 V N 7.330 126.897 119.914 -0.578 0.000 2.588 322 V HA 0.595 4.715 4.120 0.000 0.000 0.304 322 V C -0.428 175.439 176.094 -0.378 0.000 1.042 322 V CA -0.495 61.474 62.300 -0.553 0.000 0.877 322 V CB 1.775 33.032 31.823 -0.944 0.000 0.996 322 V HN 0.731 nan 8.190 nan 0.000 0.425 323 I N 4.751 125.219 120.570 -0.170 0.000 2.433 323 I HA 0.735 4.905 4.170 0.000 0.000 0.292 323 I C -0.000 176.064 176.117 -0.087 0.000 1.001 323 I CA -0.293 60.964 61.300 -0.071 0.000 1.119 323 I CB 1.687 39.689 38.000 0.004 0.000 1.289 323 I HN 0.925 nan 8.210 nan 0.000 0.438 324 C N 2.396 121.645 119.300 -0.085 0.000 3.335 324 C HA 0.568 5.028 4.460 0.000 0.000 0.356 324 C C -0.735 174.189 174.990 -0.111 0.000 1.570 324 C CA -0.914 58.059 59.018 -0.075 0.000 1.271 324 C CB 1.789 29.519 27.740 -0.016 0.000 1.873 324 C HN 0.623 nan 8.230 nan 0.000 0.439 325 E N 1.813 121.965 120.200 -0.080 0.000 2.259 325 E HA 0.311 4.661 4.350 0.000 0.000 0.281 325 E C 0.118 176.695 176.600 -0.037 0.000 1.037 325 E CA 0.451 56.802 56.400 -0.081 0.000 0.854 325 E CB 1.705 31.367 29.700 -0.063 0.000 1.051 325 E HN 0.702 nan 8.360 nan 0.000 0.409 326 S N 1.694 117.381 115.700 -0.022 0.000 2.579 326 S HA 0.248 4.718 4.470 0.000 0.000 0.275 326 S C 0.421 175.037 174.600 0.025 0.000 1.345 326 S CA 0.163 58.396 58.200 0.055 0.000 1.031 326 S CB 0.543 63.833 63.200 0.150 0.000 0.892 326 S HN 0.537 nan 8.310 nan 0.000 0.529 327 A N 3.011 125.854 122.820 0.038 0.000 2.606 327 A HA 0.650 4.971 4.320 0.000 0.000 0.290 327 A C 0.826 178.417 177.584 0.011 0.000 1.174 327 A CA 0.228 52.274 52.037 0.014 0.000 0.958 327 A CB -0.842 18.165 19.000 0.011 0.000 1.194 327 A HN 1.927 nan 8.150 nan 0.000 0.526 328 G N -0.857 107.951 108.800 0.013 0.000 2.730 328 G HA2 -0.046 3.914 3.960 0.000 0.000 0.686 328 G HA3 -0.046 3.914 3.960 0.000 0.000 0.686 328 G C 0.675 175.589 174.900 0.024 0.000 1.343 328 G CA 0.203 45.291 45.100 -0.020 0.000 0.826 328 G HN 1.204 nan 8.290 nan 0.000 0.582 329 T N -1.847 112.698 114.554 -0.016 0.000 2.788 329 T HA -0.179 4.172 4.350 0.000 0.000 0.268 329 T C 2.147 176.882 174.700 0.058 0.000 1.044 329 T CA 2.205 64.342 62.100 0.061 0.000 1.139 329 T CB -0.217 68.655 68.868 0.006 0.000 0.867 329 T HN 0.898 nan 8.240 nan 0.000 0.454 330 Q N 0.819 120.632 119.800 0.021 0.000 2.046 330 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 330 Q C 2.399 178.407 176.000 0.015 0.000 0.975 330 Q CA 1.425 57.237 55.803 0.014 0.000 0.836 330 Q CB -0.054 28.685 28.738 0.003 0.000 0.896 330 Q HN 0.521 nan 8.270 nan 0.000 0.428 331 E N 0.502 120.712 120.200 0.015 0.000 2.152 331 E HA -0.146 4.204 4.350 0.000 0.000 0.192 331 E C 1.553 178.161 176.600 0.013 0.000 0.983 331 E CA 0.969 57.376 56.400 0.012 0.000 0.818 331 E CB 0.002 29.708 29.700 0.010 0.000 0.758 331 E HN 0.488 nan 8.360 nan 0.000 0.467 332 D N 0.944 121.365 120.400 0.036 0.000 2.117 332 D HA -0.079 4.561 4.640 0.000 0.000 0.198 332 D C 1.893 178.177 176.300 -0.026 0.000 0.982 332 D CA 1.328 55.342 54.000 0.024 0.000 0.828 332 D CB -0.231 40.636 40.800 0.112 0.000 0.967 332 D HN 0.128 nan 8.370 nan 0.000 0.464 333 A N 1.022 123.843 122.820 0.001 0.000 1.902 333 A HA -0.045 4.275 4.320 0.000 0.000 0.217 333 A C 2.294 179.860 177.584 -0.030 0.000 1.181 333 A CA 2.191 54.216 52.037 -0.020 0.000 0.623 333 A CB -0.695 18.309 19.000 0.006 0.000 0.818 333 A HN 0.233 nan 8.150 nan 0.000 0.443 334 A N -0.722 122.089 122.820 -0.015 0.000 1.898 334 A HA -0.050 4.270 4.320 0.000 0.000 0.216 334 A C 2.453 180.028 177.584 -0.015 0.000 1.181 334 A CA 2.002 54.032 52.037 -0.011 0.000 0.620 334 A CB -0.902 18.096 19.000 -0.003 0.000 0.819 334 A HN 0.436 nan 8.150 nan 0.000 0.442 335 S N 0.023 115.709 115.700 -0.023 0.000 2.359 335 S HA -0.125 4.346 4.470 0.000 0.000 0.224 335 S C 1.842 176.418 174.600 -0.040 0.000 1.035 335 S CA 1.585 59.772 58.200 -0.022 0.000 1.018 335 S CB -0.486 62.696 63.200 -0.030 0.000 0.876 335 S HN 0.516 nan 8.310 nan 0.000 0.448 336 L N 0.798 121.937 121.223 -0.139 0.000 2.083 336 L HA -0.080 4.261 4.340 0.000 0.000 0.209 336 L C 2.667 179.526 176.870 -0.018 0.000 1.083 336 L CA 1.202 55.910 54.840 -0.220 0.000 0.752 336 L CB -0.625 41.183 42.059 -0.420 0.000 0.899 336 L HN 0.254 nan 8.230 nan 0.000 0.433 337 R N -0.204 120.287 120.500 -0.014 0.000 2.105 337 R HA -0.129 4.211 4.340 0.000 0.000 0.239 337 R C 2.260 178.576 176.300 0.027 0.000 1.135 337 R CA 1.271 57.381 56.100 0.017 0.000 0.967 337 R CB -0.402 29.898 30.300 0.001 0.000 0.861 337 R HN 0.219 nan 8.270 nan 0.000 0.442 338 V N 0.453 120.382 119.914 0.026 0.000 2.379 338 V HA -0.216 3.904 4.120 0.000 0.000 0.245 338 V C 1.898 178.003 176.094 0.018 0.000 1.044 338 V CA 1.552 63.861 62.300 0.014 0.000 1.036 338 V CB -0.583 31.251 31.823 0.019 0.000 0.664 338 V HN 0.210 nan 8.190 nan 0.000 0.453 339 F N 1.697 121.602 119.950 -0.076 0.000 2.091 339 F HA -0.268 4.259 4.527 0.000 0.000 0.299 339 F C 2.410 178.156 175.800 -0.090 0.000 1.103 339 F CA 2.441 60.394 58.000 -0.080 0.000 1.228 339 F CB -0.516 38.432 39.000 -0.087 0.000 0.984 339 F HN 0.127 nan 8.300 nan 0.000 0.477 340 T N -0.059 114.568 114.554 0.121 0.000 2.777 340 T HA -0.178 4.172 4.350 0.000 0.000 0.266 340 T C 1.679 176.366 174.700 -0.022 0.000 1.040 340 T CA 1.657 63.836 62.100 0.131 0.000 1.141 340 T CB -0.342 68.680 68.868 0.258 0.000 0.868 340 T HN 0.386 nan 8.240 nan 0.000 0.444 341 E N 1.150 121.318 120.200 -0.055 0.000 2.058 341 E HA -0.111 4.239 4.350 0.000 0.000 0.194 341 E C 2.561 179.028 176.600 -0.222 0.000 0.997 341 E CA 1.117 57.456 56.400 -0.103 0.000 0.801 341 E CB -0.257 29.397 29.700 -0.077 0.000 0.746 341 E HN 0.483 nan 8.360 nan 0.000 0.450 342 A N 1.274 123.906 122.820 -0.313 0.000 1.858 342 A HA -0.215 4.105 4.320 0.000 0.000 0.216 342 A C 2.181 179.313 177.584 -0.752 0.000 1.190 342 A CA 1.486 53.185 52.037 -0.563 0.000 0.617 342 A CB -0.414 18.304 19.000 -0.470 0.000 0.827 342 A HN 0.125 nan 8.150 nan 0.000 0.443 343 M N -0.281 118.998 119.600 -0.535 0.000 2.106 343 M HA -0.149 4.331 4.480 0.000 0.000 0.259 343 M C 2.213 178.432 176.300 -0.136 0.000 1.068 343 M CA 2.205 57.322 55.300 -0.304 0.000 1.100 343 M CB -2.059 30.300 32.600 -0.401 0.000 1.351 343 M HN 0.467 nan 8.290 nan 0.000 0.404 344 T N 0.075 114.553 114.554 -0.125 0.000 2.746 344 T HA -0.130 4.221 4.350 0.000 0.000 0.267 344 T C 1.979 176.618 174.700 -0.102 0.000 1.039 344 T CA 1.201 63.263 62.100 -0.063 0.000 1.142 344 T CB -0.204 68.637 68.868 -0.045 0.000 0.866 344 T HN 0.380 nan 8.240 nan 0.000 0.444 345 R N -0.074 120.299 120.500 -0.212 0.000 2.120 345 R HA -0.057 4.283 4.340 0.000 0.000 0.234 345 R C 1.640 177.876 176.300 -0.107 0.000 1.123 345 R CA 1.096 57.074 56.100 -0.203 0.000 0.975 345 R CB -0.240 29.871 30.300 -0.315 0.000 0.866 345 R HN 0.443 nan 8.270 nan 0.000 0.446 346 Y N -0.059 120.184 120.300 -0.095 0.000 2.502 346 Y HA 0.110 4.660 4.550 0.000 0.000 0.295 346 Y C 0.856 176.702 175.900 -0.091 0.000 1.193 346 Y CA -0.371 57.657 58.100 -0.119 0.000 1.295 346 Y CB -0.142 38.271 38.460 -0.078 0.000 1.059 346 Y HN -0.052 nan 8.280 nan 0.000 0.514 347 S N -0.023 115.712 115.700 0.058 0.000 3.968 347 S HA -0.104 4.366 4.470 0.000 0.000 0.373 347 S C -0.080 174.533 174.600 0.020 0.000 0.974 347 S CA 0.449 58.668 58.200 0.031 0.000 1.124 347 S CB -1.423 61.785 63.200 0.013 0.000 0.862 347 S HN 0.719 nan 8.310 nan 0.000 0.492 348 A N 1.895 124.751 122.820 0.061 0.000 3.453 348 A HA 0.593 4.913 4.320 0.000 0.000 0.262 348 A C -2.316 175.396 177.584 0.213 0.000 1.026 348 A CA -0.741 51.365 52.037 0.115 0.000 0.938 348 A CB 0.948 20.056 19.000 0.180 0.000 1.246 348 A HN 0.440 nan 8.150 nan 0.000 0.546 349 P HA 0.351 nan 4.420 nan 0.000 0.274 349 P C -2.927 174.424 177.300 0.086 0.000 1.237 349 P CA -1.197 61.967 63.100 0.106 0.000 0.793 349 P CB 0.767 32.461 31.700 -0.011 0.000 0.977 350 P HA 0.129 nan 4.420 nan 0.000 0.279 350 P C 0.665 177.890 177.300 -0.125 0.000 1.252 350 P CA -0.002 62.972 63.100 -0.210 0.000 0.811 350 P CB 0.861 32.394 31.700 -0.278 0.000 1.035 351 G N 1.333 110.054 108.800 -0.132 0.000 2.658 351 G HA2 0.003 3.963 3.960 0.000 0.000 0.217 351 G HA3 0.003 3.963 3.960 0.000 0.000 0.217 351 G C -0.226 174.629 174.900 -0.074 0.000 1.319 351 G CA 0.115 45.171 45.100 -0.073 0.000 0.885 351 G HN 0.472 nan 8.290 nan 0.000 0.553 352 D N 2.618 122.973 120.400 -0.075 0.000 2.348 352 D HA 0.295 4.936 4.640 0.000 0.000 0.253 352 D C -2.093 174.158 176.300 -0.083 0.000 1.161 352 D CA -1.082 52.883 54.000 -0.059 0.000 0.876 352 D CB 1.242 42.019 40.800 -0.038 0.000 1.160 352 D HN 0.102 nan 8.370 nan 0.000 0.459 353 P HA 0.115 nan 4.420 nan 0.000 0.269 353 P C -2.425 174.872 177.300 -0.004 0.000 1.209 353 P CA -0.995 62.089 63.100 -0.027 0.000 0.776 353 P CB -0.210 31.488 31.700 -0.005 0.000 0.876 354 P HA 0.163 nan 4.420 nan 0.000 0.274 354 P C -0.600 176.702 177.300 0.002 0.000 1.231 354 P CA 0.108 63.254 63.100 0.078 0.000 0.790 354 P CB 0.652 32.461 31.700 0.181 0.000 0.951 355 Q N 1.535 121.348 119.800 0.022 0.000 2.347 355 Q HA 0.415 4.755 4.340 0.000 0.000 0.271 355 Q C -2.418 173.575 176.000 -0.011 0.000 1.064 355 Q CA -2.110 53.689 55.803 -0.006 0.000 0.800 355 Q CB 1.980 30.728 28.738 0.016 0.000 1.304 355 Q HN 0.379 nan 8.270 nan 0.000 0.438 356 P HA 0.143 nan 4.420 nan 0.000 0.271 356 P C -0.531 176.622 177.300 -0.245 0.000 1.216 356 P CA -0.018 62.983 63.100 -0.165 0.000 0.776 356 P CB 1.164 32.752 31.700 -0.186 0.000 0.881 357 E N 1.918 121.922 120.200 -0.326 0.000 2.248 357 E HA 0.212 4.562 4.350 0.000 0.000 0.267 357 E C -0.559 175.862 176.600 -0.297 0.000 0.877 357 E CA -0.435 55.831 56.400 -0.224 0.000 0.759 357 E CB 1.557 31.231 29.700 -0.043 0.000 1.182 357 E HN 0.441 nan 8.360 nan 0.000 0.418 358 Y N -0.315 120.132 120.300 0.244 0.000 2.481 358 Y HA 0.154 4.704 4.550 0.000 0.000 0.247 358 Y C 0.366 176.521 175.900 0.426 0.000 1.151 358 Y CA -0.374 57.928 58.100 0.337 0.000 1.238 358 Y CB 0.975 39.534 38.460 0.164 0.000 1.179 358 Y HN 0.268 nan 8.280 nan 0.000 0.524 359 D N 0.576 121.147 120.400 0.285 0.000 2.440 359 D HA 0.112 4.753 4.640 0.000 0.000 0.239 359 D C 0.822 176.930 176.300 -0.320 0.000 1.084 359 D CA -0.302 53.735 54.000 0.062 0.000 0.843 359 D CB 1.599 42.431 40.800 0.054 0.000 1.097 359 D HN 0.099 nan 8.370 nan 0.000 0.531 360 L N 4.443 125.152 121.223 -0.857 0.000 2.129 360 L HA -0.142 4.199 4.340 0.000 0.000 0.212 360 L C 1.596 178.133 176.870 -0.556 0.000 1.087 360 L CA 1.914 56.047 54.840 -1.178 0.000 0.757 360 L CB -0.256 40.846 42.059 -1.596 0.000 0.896 360 L HN 0.504 nan 8.230 nan 0.000 0.434 361 E N -0.736 119.254 120.200 -0.350 0.000 2.418 361 E HA -0.122 4.228 4.350 0.000 0.000 0.197 361 E C 1.856 178.366 176.600 -0.151 0.000 1.026 361 E CA 0.740 57.015 56.400 -0.208 0.000 0.862 361 E CB -0.119 29.509 29.700 -0.121 0.000 0.799 361 E HN 0.557 nan 8.360 nan 0.000 0.518 362 L N 0.821 121.954 121.223 -0.149 0.000 2.607 362 L HA 0.237 4.577 4.340 0.000 0.000 0.228 362 L C 0.764 177.579 176.870 -0.091 0.000 1.123 362 L CA -0.155 54.633 54.840 -0.088 0.000 0.890 362 L CB 0.252 42.285 42.059 -0.043 0.000 1.103 362 L HN -0.010 nan 8.230 nan 0.000 0.468 363 I N 0.323 120.806 120.570 -0.146 0.000 2.352 363 I HA 0.082 4.252 4.170 0.000 0.000 0.290 363 I C 0.115 176.178 176.117 -0.090 0.000 1.036 363 I CA 0.222 61.452 61.300 -0.116 0.000 1.336 363 I CB 1.286 39.187 38.000 -0.164 0.000 1.407 363 I HN -0.072 nan 8.210 nan 0.000 0.497 364 T N 5.258 119.783 114.554 -0.049 0.000 2.749 364 T HA 0.430 4.780 4.350 0.000 0.000 0.287 364 T C -0.186 174.504 174.700 -0.016 0.000 0.970 364 T CA -0.559 61.524 62.100 -0.027 0.000 0.980 364 T CB 0.781 69.641 68.868 -0.013 0.000 0.924 364 T HN 0.719 nan 8.240 nan 0.000 0.456 365 S N 1.101 116.794 115.700 -0.012 0.000 2.548 365 S HA 0.384 4.854 4.470 0.000 0.000 0.276 365 S C 0.069 174.678 174.600 0.014 0.000 1.129 365 S CA -0.810 57.385 58.200 -0.009 0.000 0.931 365 S CB 0.535 63.714 63.200 -0.035 0.000 1.068 365 S HN 0.886 nan 8.310 nan 0.000 0.480 366 C N 2.482 121.793 119.300 0.018 0.000 4.028 366 C HA -0.160 4.301 4.460 0.000 0.000 0.300 366 C C 1.441 176.496 174.990 0.107 0.000 1.399 366 C CA 0.774 59.826 59.018 0.057 0.000 2.051 366 C CB -3.305 24.465 27.740 0.049 0.000 1.318 366 C HN 1.673 nan 8.230 nan 0.000 0.696 367 S N -1.656 114.094 115.700 0.082 0.000 3.358 367 S HA -0.207 4.263 4.470 0.000 0.000 0.309 367 S C 0.353 175.006 174.600 0.087 0.000 1.247 367 S CA 1.362 59.611 58.200 0.083 0.000 0.961 367 S CB -0.766 62.498 63.200 0.107 0.000 1.074 367 S HN 1.036 nan 8.310 nan 0.000 0.625 368 S N 1.604 117.361 115.700 0.096 0.000 2.632 368 S HA 0.759 5.229 4.470 0.000 0.000 0.289 368 S C -0.445 174.178 174.600 0.038 0.000 1.115 368 S CA -0.950 57.321 58.200 0.118 0.000 0.889 368 S CB 1.822 65.165 63.200 0.238 0.000 1.116 368 S HN 0.579 nan 8.310 nan 0.000 0.486 369 N N -0.711 117.997 118.700 0.015 0.000 2.329 369 N HA 0.417 5.157 4.740 0.000 0.000 0.282 369 N C -1.452 173.994 175.510 -0.108 0.000 1.198 369 N CA -0.603 52.410 53.050 -0.061 0.000 0.790 369 N CB 1.140 39.580 38.487 -0.077 0.000 1.579 369 N HN 0.327 nan 8.380 nan 0.000 0.475 370 V N 0.685 120.499 119.914 -0.167 0.000 2.637 370 V HA 0.282 4.402 4.120 0.000 0.000 0.296 370 V C 0.580 176.534 176.094 -0.233 0.000 1.046 370 V CA 0.199 62.371 62.300 -0.212 0.000 1.066 370 V CB 0.761 32.432 31.823 -0.254 0.000 0.968 370 V HN 0.827 nan 8.190 nan 0.000 0.483 371 S N 3.080 118.554 115.700 -0.378 0.000 2.697 371 S HA 0.778 5.248 4.470 0.000 0.000 0.289 371 S C -1.209 173.250 174.600 -0.235 0.000 1.149 371 S CA -0.509 57.497 58.200 -0.324 0.000 0.850 371 S CB 2.084 65.067 63.200 -0.362 0.000 1.151 371 S HN 0.627 nan 8.310 nan 0.000 0.491 372 V N 1.468 121.353 119.914 -0.048 0.000 2.604 372 V HA 0.953 5.073 4.120 0.000 0.000 0.305 372 V C -0.130 175.952 176.094 -0.019 0.000 1.043 372 V CA 0.223 62.465 62.300 -0.096 0.000 0.888 372 V CB 1.005 32.631 31.823 -0.328 0.000 0.995 372 V HN 1.202 nan 8.190 nan 0.000 0.429 373 A N 5.251 127.955 122.820 -0.193 0.000 2.548 373 A HA 0.869 5.189 4.320 0.000 0.000 0.282 373 A C -1.084 176.045 177.584 -0.759 0.000 1.288 373 A CA -0.614 51.134 52.037 -0.482 0.000 0.748 373 A CB 1.661 20.160 19.000 -0.835 0.000 1.339 373 A HN 0.914 nan 8.150 nan 0.000 0.475 374 H N 0.278 118.989 119.070 -0.599 0.000 2.637 374 H HA 0.370 4.926 4.556 0.000 0.000 0.363 374 H C -1.048 173.923 175.328 -0.596 0.000 1.131 374 H CA -0.484 55.214 56.048 -0.582 0.000 1.183 374 H CB 1.845 31.213 29.762 -0.656 0.000 1.637 374 H HN 0.897 nan 8.280 nan 0.000 0.531 375 D N 0.999 121.289 120.400 -0.182 0.000 2.469 375 D HA 0.166 4.806 4.640 0.000 0.000 0.278 375 D C 1.327 177.720 176.300 0.155 0.000 1.231 375 D CA -0.390 53.587 54.000 -0.039 0.000 1.075 375 D CB 0.191 40.973 40.800 -0.031 0.000 1.121 375 D HN 0.445 nan 8.370 nan 0.000 0.571 376 A N -0.329 122.578 122.820 0.145 0.000 1.902 376 A HA -0.131 4.189 4.320 0.000 0.000 0.217 376 A C 2.141 179.802 177.584 0.127 0.000 1.181 376 A CA 1.956 54.081 52.037 0.147 0.000 0.623 376 A CB -1.022 18.029 19.000 0.086 0.000 0.818 376 A HN 0.491 nan 8.150 nan 0.000 0.443 377 S N -1.627 114.129 115.700 0.092 0.000 2.515 377 S HA 0.273 4.743 4.470 0.000 0.000 0.231 377 S C 1.563 176.213 174.600 0.083 0.000 0.987 377 S CA 1.105 59.346 58.200 0.069 0.000 0.936 377 S CB -0.115 63.112 63.200 0.045 0.000 0.766 377 S HN 1.685 nan 8.310 nan 0.000 0.528 378 G N 1.537 110.416 108.800 0.133 0.000 2.176 378 G HA2 -0.278 3.682 3.960 0.000 0.000 0.232 378 G HA3 -0.278 3.682 3.960 0.000 0.000 0.232 378 G C 0.074 175.049 174.900 0.126 0.000 0.986 378 G CA 0.142 45.321 45.100 0.131 0.000 0.643 378 G HN 0.542 nan 8.290 nan 0.000 0.522 379 K N 1.323 121.760 120.400 0.063 0.000 2.379 379 K HA 0.411 4.731 4.320 0.000 0.000 0.284 379 K C 0.766 177.319 176.600 -0.078 0.000 1.044 379 K CA -0.647 55.646 56.287 0.010 0.000 0.974 379 K CB 0.265 32.762 32.500 -0.005 0.000 0.962 379 K HN 0.319 nan 8.250 nan 0.000 0.474 380 R N 2.042 122.451 120.500 -0.151 0.000 2.522 380 R HA 0.059 4.399 4.340 0.000 0.000 0.284 380 R C -0.409 175.667 176.300 -0.374 0.000 1.032 380 R CA -0.101 55.752 56.100 -0.412 0.000 1.049 380 R CB 0.902 30.953 30.300 -0.415 0.000 0.956 380 R HN 0.390 nan 8.270 nan 0.000 0.422 381 V N 5.290 124.940 119.914 -0.441 0.000 2.577 381 V HA 0.335 4.455 4.120 0.000 0.000 0.303 381 V C -1.334 174.608 176.094 -0.254 0.000 1.042 381 V CA -0.786 61.348 62.300 -0.277 0.000 0.872 381 V CB 1.165 32.888 31.823 -0.167 0.000 0.998 381 V HN 0.594 nan 8.190 nan 0.000 0.423 382 Y N 7.339 127.629 120.300 -0.017 0.000 2.304 382 Y HA 0.638 5.188 4.550 0.000 0.000 0.327 382 Y C 0.119 176.086 175.900 0.112 0.000 1.209 382 Y CA 0.334 58.434 58.100 0.001 0.000 1.299 382 Y CB 1.100 39.519 38.460 -0.069 0.000 1.249 382 Y HN 0.817 nan 8.280 nan 0.000 0.519 383 Y N -0.057 120.311 120.300 0.114 0.000 2.638 383 Y HA 0.648 5.198 4.550 0.000 0.000 0.335 383 Y C -2.315 173.643 175.900 0.097 0.000 1.155 383 Y CA -1.951 56.193 58.100 0.073 0.000 1.046 383 Y CB 0.605 39.081 38.460 0.027 0.000 1.303 383 Y HN 0.429 nan 8.280 nan 0.000 0.460 384 L N 2.240 123.533 121.223 0.116 0.000 2.275 384 L HA 0.730 5.070 4.340 0.000 0.000 0.288 384 L C 0.062 177.114 176.870 0.303 0.000 1.046 384 L CA 0.363 55.262 54.840 0.098 0.000 0.805 384 L CB 1.376 43.525 42.059 0.151 0.000 1.193 384 L HN 1.011 nan 8.230 nan 0.000 0.426 385 T N 4.319 118.986 114.554 0.188 0.000 2.831 385 T HA 0.867 5.217 4.350 0.000 0.000 0.287 385 T C -1.067 173.737 174.700 0.173 0.000 1.070 385 T CA -0.648 61.638 62.100 0.310 0.000 1.010 385 T CB 1.199 70.250 68.868 0.306 0.000 1.264 385 T HN 0.792 nan 8.240 nan 0.000 0.532 386 R N 0.555 121.100 120.500 0.076 0.000 2.733 386 R HA 0.475 4.815 4.340 0.000 0.000 0.272 386 R C -1.424 174.709 176.300 -0.278 0.000 1.029 386 R CA -0.979 55.052 56.100 -0.115 0.000 0.888 386 R CB 0.543 30.708 30.300 -0.224 0.000 1.251 386 R HN 0.516 nan 8.270 nan 0.000 0.464 387 D N 2.122 122.363 120.400 -0.266 0.000 2.472 387 D HA 0.034 4.674 4.640 0.000 0.000 0.248 387 D C -1.355 174.586 176.300 -0.598 0.000 1.174 387 D CA -1.202 52.591 54.000 -0.345 0.000 0.883 387 D CB 1.261 41.943 40.800 -0.196 0.000 1.149 387 D HN 0.366 nan 8.370 nan 0.000 0.488 388 P HA 0.002 nan 4.420 nan 0.000 0.249 388 P C 1.134 178.104 177.300 -0.550 0.000 1.229 388 P CA 0.134 62.530 63.100 -1.173 0.000 0.788 388 P CB 0.302 31.167 31.700 -1.391 0.000 1.072 389 T N -0.185 114.169 114.554 -0.333 0.000 2.652 389 T HA -0.130 4.220 4.350 0.000 0.000 0.267 389 T C 1.769 176.410 174.700 -0.099 0.000 1.039 389 T CA 2.351 64.358 62.100 -0.156 0.000 1.153 389 T CB -1.065 67.753 68.868 -0.082 0.000 0.863 389 T HN 0.200 nan 8.240 nan 0.000 0.428 390 T N 2.145 116.643 114.554 -0.092 0.000 2.737 390 T HA -0.042 4.308 4.350 0.000 0.000 0.265 390 T C -0.530 174.133 174.700 -0.063 0.000 1.038 390 T CA 1.127 63.202 62.100 -0.040 0.000 1.144 390 T CB -1.260 67.621 68.868 0.022 0.000 0.866 390 T HN 0.310 nan 8.240 nan 0.000 0.434 391 P HA -0.080 nan 4.420 nan 0.000 0.218 391 P C 1.435 178.764 177.300 0.049 0.000 1.154 391 P CA 1.125 64.218 63.100 -0.012 0.000 0.872 391 P CB -0.195 31.448 31.700 -0.095 0.000 0.790 392 L N -1.809 119.404 121.223 -0.016 0.000 2.095 392 L HA -0.059 4.281 4.340 0.000 0.000 0.204 392 L C 2.523 179.440 176.870 0.079 0.000 1.080 392 L CA 1.211 56.075 54.840 0.040 0.000 0.759 392 L CB -1.205 40.841 42.059 -0.022 0.000 0.914 392 L HN -0.075 nan 8.230 nan 0.000 0.439 393 A N 0.595 123.447 122.820 0.053 0.000 1.892 393 A HA -0.255 4.065 4.320 0.000 0.000 0.218 393 A C 2.402 180.058 177.584 0.119 0.000 1.188 393 A CA 1.889 53.977 52.037 0.084 0.000 0.631 393 A CB -0.532 18.491 19.000 0.038 0.000 0.822 393 A HN 0.319 nan 8.150 nan 0.000 0.447 394 R N -0.768 119.771 120.500 0.065 0.000 2.066 394 R HA -0.033 4.308 4.340 0.000 0.000 0.232 394 R C 2.530 178.979 176.300 0.249 0.000 1.131 394 R CA 1.159 57.315 56.100 0.092 0.000 0.955 394 R CB -0.523 29.772 30.300 -0.008 0.000 0.851 394 R HN 0.516 nan 8.270 nan 0.000 0.432 395 A N 1.333 124.326 122.820 0.287 0.000 1.948 395 A HA -0.220 4.100 4.320 0.000 0.000 0.220 395 A C 2.360 180.211 177.584 0.444 0.000 1.177 395 A CA 1.958 54.290 52.037 0.491 0.000 0.636 395 A CB -0.737 18.586 19.000 0.539 0.000 0.815 395 A HN 0.438 nan 8.150 nan 0.000 0.449 396 A N -1.528 121.456 122.820 0.274 0.000 1.902 396 A HA -0.171 4.149 4.320 0.000 0.000 0.217 396 A C 2.102 179.811 177.584 0.208 0.000 1.181 396 A CA 1.334 53.488 52.037 0.195 0.000 0.623 396 A CB -0.876 18.217 19.000 0.154 0.000 0.818 396 A HN 0.824 nan 8.150 nan 0.000 0.443 397 W N 1.003 122.352 121.300 0.081 0.000 2.335 397 W HA -0.180 4.480 4.660 0.000 0.000 0.311 397 W C 1.793 178.361 176.519 0.082 0.000 1.213 397 W CA 2.088 59.465 57.345 0.054 0.000 1.274 397 W CB -0.340 29.134 29.460 0.023 0.000 1.148 397 W HN 0.557 nan 8.180 nan 0.000 0.498 398 E N -0.916 119.543 120.200 0.432 0.000 2.268 398 E HA -0.151 4.199 4.350 0.000 0.000 0.195 398 E C 1.951 178.727 176.600 0.293 0.000 0.995 398 E CA 1.649 58.278 56.400 0.381 0.000 0.836 398 E CB -0.233 29.741 29.700 0.457 0.000 0.763 398 E HN 0.102 nan 8.360 nan 0.000 0.491 399 T N 0.298 115.007 114.554 0.258 0.000 2.833 399 T HA -0.114 4.237 4.350 0.000 0.000 0.269 399 T C 1.775 176.456 174.700 -0.032 0.000 1.054 399 T CA 1.279 63.442 62.100 0.105 0.000 1.135 399 T CB 0.019 68.967 68.868 0.133 0.000 0.869 399 T HN 0.234 nan 8.240 nan 0.000 0.466 400 A N 0.170 122.939 122.820 -0.084 0.000 2.197 400 A HA 0.311 4.632 4.320 0.000 0.000 0.210 400 A C 0.989 178.449 177.584 -0.207 0.000 1.180 400 A CA -0.022 51.910 52.037 -0.174 0.000 0.846 400 A CB 0.473 19.330 19.000 -0.239 0.000 0.884 400 A HN 0.113 nan 8.150 nan 0.000 0.487 401 R N 0.303 120.705 120.500 -0.163 0.000 2.628 401 R HA 0.372 4.712 4.340 0.000 0.000 0.288 401 R C -1.585 174.691 176.300 -0.040 0.000 0.980 401 R CA -0.550 55.486 56.100 -0.105 0.000 0.891 401 R CB 0.875 31.168 30.300 -0.012 0.000 1.188 401 R HN 0.487 nan 8.270 nan 0.000 0.450 402 H N 0.806 119.944 119.070 0.114 0.000 2.803 402 H HA 0.149 4.705 4.556 0.000 0.000 0.330 402 H C 0.437 175.841 175.328 0.126 0.000 1.057 402 H CA 0.689 56.808 56.048 0.118 0.000 1.458 402 H CB 0.718 30.527 29.762 0.078 0.000 1.470 402 H HN 0.508 nan 8.280 nan 0.000 0.560 403 T N 0.667 115.359 114.554 0.230 0.000 2.908 403 T HA 0.211 4.561 4.350 0.000 0.000 0.290 403 T C -1.641 173.086 174.700 0.044 0.000 1.034 403 T CA -2.019 60.163 62.100 0.137 0.000 1.010 403 T CB 1.922 70.866 68.868 0.127 0.000 1.068 403 T HN 0.339 nan 8.240 nan 0.000 0.481 404 P HA 0.035 nan 4.420 nan 0.000 0.218 404 P C 0.080 177.244 177.300 -0.226 0.000 1.149 404 P CA 0.487 63.477 63.100 -0.185 0.000 0.817 404 P CB 0.039 31.629 31.700 -0.183 0.000 0.785 405 V N 1.681 121.522 119.914 -0.122 0.000 2.448 405 V HA 0.245 4.365 4.120 0.000 0.000 0.295 405 V C 0.040 176.073 176.094 -0.102 0.000 1.025 405 V CA -0.776 61.453 62.300 -0.118 0.000 0.859 405 V CB 1.661 33.435 31.823 -0.082 0.000 0.988 405 V HN 0.003 nan 8.190 nan 0.000 0.431 406 N N 2.938 121.531 118.700 -0.180 0.000 2.645 406 N HA 0.080 4.820 4.740 0.000 0.000 0.233 406 N C 1.330 176.614 175.510 -0.378 0.000 1.058 406 N CA 0.136 53.017 53.050 -0.281 0.000 0.942 406 N CB 1.670 39.861 38.487 -0.492 0.000 1.210 406 N HN 0.839 nan 8.380 nan 0.000 0.512 407 S N 2.122 117.723 115.700 -0.165 0.000 2.399 407 S HA -0.120 4.350 4.470 0.000 0.000 0.231 407 S C 1.890 176.436 174.600 -0.089 0.000 1.022 407 S CA 0.220 58.361 58.200 -0.098 0.000 0.983 407 S CB -0.416 62.778 63.200 -0.011 0.000 0.803 407 S HN 0.788 nan 8.310 nan 0.000 0.480 408 W N 1.455 122.645 121.300 -0.183 0.000 2.338 408 W HA -0.088 4.572 4.660 0.000 0.000 0.304 408 W C 1.704 178.110 176.519 -0.189 0.000 1.212 408 W CA 0.680 57.849 57.345 -0.293 0.000 1.264 408 W CB -1.041 27.801 29.460 -1.031 0.000 1.142 408 W HN 0.389 nan 8.180 nan 0.000 0.512 409 L N 2.784 123.324 121.223 -1.139 0.000 2.109 409 L HA 0.218 4.558 4.340 0.000 0.000 0.207 409 L C 2.631 179.262 176.870 -0.398 0.000 1.086 409 L CA 2.611 56.841 54.840 -1.017 0.000 0.760 409 L CB -1.316 39.920 42.059 -1.372 0.000 0.910 409 L HN 0.042 nan 8.230 nan 0.000 0.437 410 G N -0.507 108.099 108.800 -0.324 0.000 2.421 410 G HA2 -0.291 3.669 3.960 0.000 0.000 0.216 410 G HA3 -0.291 3.669 3.960 0.000 0.000 0.216 410 G C 1.460 176.339 174.900 -0.035 0.000 1.171 410 G CA 0.729 45.727 45.100 -0.171 0.000 0.775 410 G HN 0.434 nan 8.290 nan 0.000 0.543 411 N N 0.558 119.303 118.700 0.075 0.000 2.166 411 N HA -0.029 4.711 4.740 0.000 0.000 0.186 411 N C 2.249 177.886 175.510 0.211 0.000 1.019 411 N CA 0.702 53.927 53.050 0.290 0.000 0.856 411 N CB -0.132 38.611 38.487 0.427 0.000 0.993 411 N HN 0.349 nan 8.380 nan 0.000 0.426 412 I N 0.938 121.588 120.570 0.133 0.000 2.202 412 I HA -0.216 3.954 4.170 0.000 0.000 0.242 412 I C 2.075 178.226 176.117 0.056 0.000 1.091 412 I CA 0.787 62.151 61.300 0.107 0.000 1.368 412 I CB -0.156 37.975 38.000 0.217 0.000 1.058 412 I HN 0.022 nan 8.210 nan 0.000 0.410 413 I N 0.104 120.707 120.570 0.055 0.000 2.099 413 I HA -0.334 3.836 4.170 0.000 0.000 0.239 413 I C 2.517 178.716 176.117 0.136 0.000 1.066 413 I CA 1.466 62.831 61.300 0.107 0.000 1.324 413 I CB -0.283 37.764 38.000 0.079 0.000 1.037 413 I HN 0.226 nan 8.210 nan 0.000 0.401 414 M N -0.891 118.703 119.600 -0.009 0.000 2.319 414 M HA -0.115 4.365 4.480 0.000 0.000 0.265 414 M C 1.056 177.150 176.300 -0.343 0.000 1.068 414 M CA 1.679 56.867 55.300 -0.187 0.000 1.118 414 M CB -0.641 31.707 32.600 -0.420 0.000 1.395 414 M HN 0.226 nan 8.290 nan 0.000 0.435 415 Y N -0.748 119.538 120.300 -0.023 0.000 2.720 415 Y HA 0.481 5.031 4.550 0.000 0.000 0.268 415 Y C 1.827 177.471 175.900 -0.426 0.000 1.142 415 Y CA -0.379 57.601 58.100 -0.200 0.000 1.193 415 Y CB -0.935 37.365 38.460 -0.266 0.000 1.176 415 Y HN 0.138 nan 8.280 nan 0.000 0.542 416 A N 1.122 123.738 122.820 -0.339 0.000 1.903 416 A HA -0.187 4.134 4.320 0.000 0.000 0.219 416 A C -0.325 176.973 177.584 -0.477 0.000 1.191 416 A CA 1.833 53.621 52.037 -0.415 0.000 0.638 416 A CB -1.487 17.232 19.000 -0.468 0.000 0.823 416 A HN 0.267 nan 8.150 nan 0.000 0.451 417 P HA 0.003 nan 4.420 nan 0.000 0.234 417 P C 0.602 177.632 177.300 -0.450 0.000 1.167 417 P CA 1.283 64.106 63.100 -0.460 0.000 0.763 417 P CB -0.535 30.924 31.700 -0.401 0.000 0.835 418 T N -2.946 111.341 114.554 -0.446 0.000 2.913 418 T HA 0.134 4.484 4.350 0.000 0.000 0.297 418 T C 1.183 175.454 174.700 -0.715 0.000 1.029 418 T CA -0.696 61.077 62.100 -0.544 0.000 1.104 418 T CB 0.678 69.008 68.868 -0.896 0.000 0.964 418 T HN -0.083 nan 8.240 nan 0.000 0.532 419 L N 2.592 123.306 121.223 -0.849 0.000 2.012 419 L HA -0.036 4.304 4.340 0.000 0.000 0.210 419 L C 2.439 178.981 176.870 -0.548 0.000 1.073 419 L CA 1.732 56.037 54.840 -0.893 0.000 0.748 419 L CB -0.426 40.988 42.059 -1.076 0.000 0.891 419 L HN 0.945 nan 8.230 nan 0.000 0.431 420 W N -0.509 120.578 121.300 -0.356 0.000 2.418 420 W HA 0.037 4.698 4.660 0.000 0.000 0.292 420 W C 2.066 178.443 176.519 -0.236 0.000 1.213 420 W CA 0.622 57.794 57.345 -0.289 0.000 1.283 420 W CB -1.188 28.139 29.460 -0.221 0.000 1.119 420 W HN 0.248 nan 8.180 nan 0.000 0.542 421 A N 1.800 124.174 122.820 -0.745 0.000 1.929 421 A HA -0.085 4.235 4.320 0.000 0.000 0.216 421 A C 2.249 179.677 177.584 -0.261 0.000 1.176 421 A CA 1.437 53.197 52.037 -0.462 0.000 0.628 421 A CB -0.677 17.902 19.000 -0.701 0.000 0.816 421 A HN 0.273 nan 8.150 nan 0.000 0.444 422 R N -0.939 119.318 120.500 -0.406 0.000 2.057 422 R HA 0.045 4.385 4.340 0.000 0.000 0.229 422 R C 2.234 178.300 176.300 -0.391 0.000 1.136 422 R CA 1.728 57.593 56.100 -0.391 0.000 0.952 422 R CB -0.351 29.580 30.300 -0.614 0.000 0.848 422 R HN 0.492 nan 8.270 nan 0.000 0.430 423 M N -0.302 118.937 119.600 -0.602 0.000 2.288 423 M HA -0.025 4.455 4.480 0.000 0.000 0.266 423 M C 1.850 178.052 176.300 -0.164 0.000 1.072 423 M CA 1.471 56.446 55.300 -0.541 0.000 1.132 423 M CB 0.146 32.404 32.600 -0.569 0.000 1.386 423 M HN 0.148 nan 8.290 nan 0.000 0.432 424 I N -0.987 119.379 120.570 -0.339 0.000 3.196 424 I HA -0.076 4.094 4.170 0.000 0.000 0.248 424 I C 2.041 178.027 176.117 -0.219 0.000 1.105 424 I CA 0.236 61.111 61.300 -0.707 0.000 1.482 424 I CB -0.170 37.334 38.000 -0.827 0.000 1.400 424 I HN 0.115 nan 8.210 nan 0.000 0.464 425 L N 0.444 121.701 121.223 0.056 0.000 1.994 425 L HA -0.216 4.124 4.340 0.000 0.000 0.208 425 L C 2.701 179.877 176.870 0.510 0.000 1.071 425 L CA 1.691 56.753 54.840 0.370 0.000 0.745 425 L CB -0.504 41.793 42.059 0.396 0.000 0.892 425 L HN 0.282 nan 8.230 nan 0.000 0.431 426 M N -0.741 119.120 119.600 0.436 0.000 2.065 426 M HA -0.201 4.279 4.480 0.000 0.000 0.259 426 M C 2.357 179.178 176.300 0.868 0.000 1.069 426 M CA 2.257 57.934 55.300 0.627 0.000 1.110 426 M CB -0.829 31.948 32.600 0.296 0.000 1.328 426 M HN 0.267 nan 8.290 nan 0.000 0.405 427 T N -1.184 113.859 114.554 0.815 0.000 2.635 427 T HA -0.256 4.095 4.350 0.000 0.000 0.267 427 T C 1.683 176.700 174.700 0.529 0.000 1.040 427 T CA 2.095 64.643 62.100 0.746 0.000 1.156 427 T CB -0.650 68.696 68.868 0.797 0.000 0.863 427 T HN 0.435 nan 8.240 nan 0.000 0.430 428 H N 0.351 119.615 119.070 0.323 0.000 2.293 428 H HA -0.013 4.543 4.556 0.000 0.000 0.300 428 H C 1.761 176.960 175.328 -0.216 0.000 1.082 428 H CA 1.590 57.672 56.048 0.057 0.000 1.308 428 H CB -0.521 29.124 29.762 -0.196 0.000 1.375 428 H HN 0.387 nan 8.280 nan 0.000 0.495 429 F N -1.470 118.418 119.950 -0.103 0.000 2.416 429 F HA 0.041 4.568 4.527 0.000 0.000 0.296 429 F C 1.896 177.453 175.800 -0.405 0.000 1.099 429 F CA 0.249 57.911 58.000 -0.564 0.000 1.427 429 F CB -0.350 37.861 39.000 -1.315 0.000 1.079 429 F HN 0.117 nan 8.300 nan 0.000 0.536 430 F N -0.567 119.458 119.950 0.125 0.000 2.234 430 F HA -0.183 4.345 4.527 0.000 0.000 0.299 430 F C 2.718 178.539 175.800 0.033 0.000 1.087 430 F CA 1.454 59.549 58.000 0.159 0.000 1.340 430 F CB -0.901 38.307 39.000 0.346 0.000 1.031 430 F HN -0.122 nan 8.300 nan 0.000 0.500 431 S N 0.456 116.230 115.700 0.123 0.000 2.359 431 S HA -0.194 4.277 4.470 0.000 0.000 0.224 431 S C 2.165 176.714 174.600 -0.085 0.000 1.035 431 S CA 1.531 59.728 58.200 -0.005 0.000 1.018 431 S CB -0.486 62.692 63.200 -0.037 0.000 0.876 431 S HN 0.304 nan 8.310 nan 0.000 0.448 432 I N 1.326 121.771 120.570 -0.209 0.000 2.163 432 I HA -0.211 3.960 4.170 0.000 0.000 0.243 432 I C 2.178 178.240 176.117 -0.092 0.000 1.085 432 I CA 1.187 62.361 61.300 -0.209 0.000 1.347 432 I CB -0.380 37.412 38.000 -0.347 0.000 1.044 432 I HN 0.317 nan 8.210 nan 0.000 0.408 433 L N -0.025 121.151 121.223 -0.077 0.000 2.056 433 L HA -0.213 4.127 4.340 0.000 0.000 0.207 433 L C 2.555 179.445 176.870 0.034 0.000 1.078 433 L CA 1.192 56.024 54.840 -0.014 0.000 0.749 433 L CB -0.562 41.466 42.059 -0.051 0.000 0.901 433 L HN 0.264 nan 8.230 nan 0.000 0.433 434 L N -0.074 121.182 121.223 0.056 0.000 2.012 434 L HA -0.240 4.100 4.340 0.000 0.000 0.210 434 L C 2.888 179.772 176.870 0.023 0.000 1.073 434 L CA 1.404 56.279 54.840 0.058 0.000 0.748 434 L CB -0.660 41.434 42.059 0.059 0.000 0.891 434 L HN 0.260 nan 8.230 nan 0.000 0.431 435 A N -1.100 121.719 122.820 -0.001 0.000 1.972 435 A HA -0.190 4.130 4.320 0.000 0.000 0.219 435 A C 2.081 179.666 177.584 0.001 0.000 1.169 435 A CA 1.305 53.336 52.037 -0.010 0.000 0.635 435 A CB -0.234 18.747 19.000 -0.032 0.000 0.810 435 A HN 0.437 nan 8.150 nan 0.000 0.446 436 Q N -0.809 118.997 119.800 0.010 0.000 2.360 436 Q HA 0.089 4.429 4.340 0.000 0.000 0.202 436 Q C -0.485 175.534 176.000 0.031 0.000 0.915 436 Q CA 0.304 56.120 55.803 0.023 0.000 0.943 436 Q CB 0.053 28.813 28.738 0.035 0.000 1.064 436 Q HN 0.773 nan 8.270 nan 0.000 0.511 437 E N 0.850 121.071 120.200 0.034 0.000 2.228 437 E HA -0.241 4.110 4.350 0.000 0.000 0.213 437 E C -0.216 176.414 176.600 0.050 0.000 1.282 437 E CA 0.228 56.653 56.400 0.043 0.000 0.707 437 E CB -0.863 28.858 29.700 0.034 0.000 1.150 437 E HN 0.405 nan 8.360 nan 0.000 0.362 438 Q N -0.356 119.478 119.800 0.058 0.000 2.157 438 Q HA 0.179 4.520 4.340 0.000 0.000 0.229 438 Q C 1.582 177.630 176.000 0.080 0.000 0.827 438 Q CA -0.250 55.592 55.803 0.066 0.000 1.055 438 Q CB 0.492 29.272 28.738 0.070 0.000 1.157 438 Q HN 0.434 nan 8.270 nan 0.000 0.482 439 L N 0.520 121.798 121.223 0.092 0.000 2.081 439 L HA -0.209 4.132 4.340 0.000 0.000 0.212 439 L C 1.928 178.869 176.870 0.117 0.000 1.080 439 L CA 1.253 56.167 54.840 0.123 0.000 0.754 439 L CB -0.115 42.045 42.059 0.167 0.000 0.893 439 L HN 0.265 nan 8.230 nan 0.000 0.433 440 E N 0.013 120.269 120.200 0.094 0.000 2.481 440 E HA -0.056 4.294 4.350 0.000 0.000 0.195 440 E C 0.659 177.302 176.600 0.072 0.000 1.047 440 E CA 0.111 56.559 56.400 0.081 0.000 0.867 440 E CB 0.180 29.919 29.700 0.066 0.000 0.858 440 E HN 0.318 nan 8.360 nan 0.000 0.513 441 K N 1.599 122.042 120.400 0.073 0.000 2.316 441 K HA 0.283 4.603 4.320 0.000 0.000 0.289 441 K C -0.442 176.198 176.600 0.067 0.000 1.070 441 K CA -0.245 56.080 56.287 0.063 0.000 0.928 441 K CB 0.775 33.310 32.500 0.059 0.000 1.039 441 K HN -0.151 nan 8.250 nan 0.000 0.480 442 A N 5.177 128.031 122.820 0.056 0.000 2.511 442 A HA 0.275 4.595 4.320 0.000 0.000 0.242 442 A C -0.513 177.094 177.584 0.038 0.000 1.069 442 A CA -0.073 51.994 52.037 0.051 0.000 0.763 442 A CB 0.061 19.093 19.000 0.054 0.000 1.001 442 A HN 0.774 nan 8.150 nan 0.000 0.498 443 L N 1.990 123.221 121.223 0.013 0.000 2.381 443 L HA 0.364 4.704 4.340 0.000 0.000 0.268 443 L C -0.856 175.978 176.870 -0.060 0.000 0.997 443 L CA -1.041 53.786 54.840 -0.021 0.000 0.818 443 L CB 2.066 44.099 42.059 -0.044 0.000 1.310 443 L HN 0.577 nan 8.230 nan 0.000 0.416 444 D N 1.588 121.949 120.400 -0.065 0.000 2.351 444 D HA 0.361 5.002 4.640 0.000 0.000 0.251 444 D C -0.310 175.905 176.300 -0.142 0.000 1.137 444 D CA 0.007 53.964 54.000 -0.070 0.000 0.879 444 D CB 1.312 42.062 40.800 -0.083 0.000 1.181 444 D HN 0.572 nan 8.370 nan 0.000 0.448 445 C N 0.923 120.143 119.300 -0.133 0.000 3.108 445 C HA 0.689 5.149 4.460 0.000 0.000 0.321 445 C C -0.658 174.276 174.990 -0.094 0.000 1.357 445 C CA -0.858 58.059 59.018 -0.169 0.000 1.562 445 C CB 1.462 29.043 27.740 -0.265 0.000 2.003 445 C HN 0.491 nan 8.230 nan 0.000 0.460 446 Q N 0.577 120.320 119.800 -0.095 0.000 2.331 446 Q HA 0.733 5.073 4.340 0.000 0.000 0.267 446 Q C -1.415 174.541 176.000 -0.074 0.000 1.006 446 Q CA -0.244 55.534 55.803 -0.042 0.000 0.818 446 Q CB 2.025 30.753 28.738 -0.017 0.000 1.276 446 Q HN 0.732 nan 8.270 nan 0.000 0.450 447 I N 2.775 123.307 120.570 -0.064 0.000 2.466 447 I HA 0.188 4.358 4.170 0.000 0.000 0.289 447 I C -0.887 175.242 176.117 0.020 0.000 1.026 447 I CA -0.751 60.435 61.300 -0.189 0.000 1.078 447 I CB 1.251 38.863 38.000 -0.646 0.000 1.249 447 I HN 0.643 nan 8.210 nan 0.000 0.429 448 Y N 5.247 125.574 120.300 0.044 0.000 3.396 448 Y HA -0.268 4.282 4.550 0.000 0.000 0.214 448 Y C 1.494 177.352 175.900 -0.070 0.000 1.203 448 Y CA 1.144 59.252 58.100 0.012 0.000 1.401 448 Y CB -1.959 36.512 38.460 0.019 0.000 1.409 448 Y HN 0.989 nan 8.280 nan 0.000 0.594 449 G N -2.402 106.475 108.800 0.128 0.000 2.241 449 G HA2 0.007 3.967 3.960 0.000 0.000 0.244 449 G HA3 0.007 3.967 3.960 0.000 0.000 0.244 449 G C 0.395 175.315 174.900 0.033 0.000 0.998 449 G CA 0.059 45.197 45.100 0.064 0.000 0.621 449 G HN 1.496 nan 8.290 nan 0.000 0.519 450 A N -0.622 122.218 122.820 0.033 0.000 2.303 450 A HA 0.681 5.001 4.320 0.000 0.000 0.317 450 A C 0.516 177.949 177.584 -0.252 0.000 1.149 450 A CA 0.352 52.264 52.037 -0.207 0.000 0.822 450 A CB 1.201 19.961 19.000 -0.401 0.000 1.131 450 A HN 1.465 nan 8.150 nan 0.000 0.493 451 C N 2.102 121.170 119.300 -0.388 0.000 2.347 451 C HA 0.726 5.186 4.460 0.000 0.000 0.353 451 C C -1.035 173.585 174.990 -0.618 0.000 1.273 451 C CA -0.409 58.465 59.018 -0.240 0.000 1.861 451 C CB -1.432 26.366 27.740 0.096 0.000 2.420 451 C HN 0.638 nan 8.230 nan 0.000 0.542 452 Y N 3.211 123.316 120.300 -0.326 0.000 2.409 452 Y HA 0.409 4.959 4.550 0.000 0.000 0.343 452 Y C 0.453 176.206 175.900 -0.245 0.000 0.973 452 Y CA -0.329 57.536 58.100 -0.393 0.000 1.064 452 Y CB 1.765 39.935 38.460 -0.483 0.000 1.207 452 Y HN 0.599 nan 8.280 nan 0.000 0.452 453 S N 4.571 120.221 115.700 -0.082 0.000 2.452 453 S HA 0.603 5.073 4.470 0.000 0.000 0.284 453 S C -0.883 173.750 174.600 0.055 0.000 1.171 453 S CA -0.443 57.770 58.200 0.022 0.000 1.064 453 S CB -0.253 62.997 63.200 0.084 0.000 0.967 453 S HN 0.456 nan 8.310 nan 0.000 0.484 454 I N 4.125 124.715 120.570 0.033 0.000 2.498 454 I HA 0.360 4.530 4.170 0.000 0.000 0.290 454 I C -0.076 176.068 176.117 0.045 0.000 1.032 454 I CA -0.660 60.673 61.300 0.055 0.000 1.073 454 I CB 1.969 39.978 38.000 0.015 0.000 1.251 454 I HN 0.685 nan 8.210 nan 0.000 0.426 455 E N 7.156 127.401 120.200 0.074 0.000 2.130 455 E HA 0.219 4.569 4.350 0.000 0.000 0.284 455 E C -1.658 175.007 176.600 0.108 0.000 1.018 455 E CA -1.466 54.983 56.400 0.082 0.000 0.817 455 E CB 1.218 30.967 29.700 0.082 0.000 1.078 455 E HN 0.296 nan 8.360 nan 0.000 0.396 456 P HA -0.207 nan 4.420 nan 0.000 0.217 456 P C 0.936 178.411 177.300 0.292 0.000 1.148 456 P CA 1.141 64.349 63.100 0.179 0.000 0.834 456 P CB 0.221 31.996 31.700 0.126 0.000 0.783 457 L N -0.904 120.461 121.223 0.237 0.000 2.362 457 L HA -0.121 4.219 4.340 0.000 0.000 0.219 457 L C 1.473 178.442 176.870 0.166 0.000 1.134 457 L CA 1.126 56.106 54.840 0.233 0.000 0.807 457 L CB -0.668 41.494 42.059 0.171 0.000 0.927 457 L HN -0.025 nan 8.230 nan 0.000 0.447 458 D N -0.249 120.236 120.400 0.141 0.000 2.355 458 D HA -0.022 4.618 4.640 0.000 0.000 0.218 458 D C 2.272 178.640 176.300 0.114 0.000 1.004 458 D CA 0.359 54.416 54.000 0.094 0.000 0.880 458 D CB 0.266 41.109 40.800 0.072 0.000 0.911 458 D HN 0.289 nan 8.370 nan 0.000 0.528 459 L N 1.040 122.375 121.223 0.187 0.000 1.997 459 L HA -0.198 4.143 4.340 0.000 0.000 0.216 459 L C -0.440 176.547 176.870 0.195 0.000 1.074 459 L CA 1.758 56.730 54.840 0.219 0.000 0.763 459 L CB -1.515 40.747 42.059 0.338 0.000 0.890 459 L HN 0.068 nan 8.230 nan 0.000 0.434 460 P HA -0.190 nan 4.420 nan 0.000 0.215 460 P C 1.359 178.715 177.300 0.094 0.000 1.153 460 P CA 1.245 64.404 63.100 0.099 0.000 0.853 460 P CB 0.040 31.624 31.700 -0.193 0.000 0.788 461 Q N -0.781 119.019 119.800 -0.000 0.000 2.084 461 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 461 Q C 2.185 178.185 176.000 0.000 0.000 0.978 461 Q CA 1.312 57.100 55.803 -0.025 0.000 0.844 461 Q CB -0.988 27.719 28.738 -0.052 0.000 0.898 461 Q HN 0.256 nan 8.270 nan 0.000 0.426 462 I N 0.031 120.613 120.570 0.019 0.000 2.127 462 I HA -0.292 3.878 4.170 0.000 0.000 0.241 462 I C 2.024 178.177 176.117 0.060 0.000 1.075 462 I CA 1.267 62.561 61.300 -0.010 0.000 1.334 462 I CB -0.308 37.726 38.000 0.056 0.000 1.040 462 I HN 0.191 nan 8.210 nan 0.000 0.405 463 I N 0.333 120.998 120.570 0.157 0.000 2.226 463 I HA -0.291 3.879 4.170 0.000 0.000 0.245 463 I C 2.645 178.807 176.117 0.074 0.000 1.100 463 I CA 1.399 62.802 61.300 0.172 0.000 1.374 463 I CB -0.448 37.606 38.000 0.090 0.000 1.057 463 I HN 0.315 nan 8.210 nan 0.000 0.413 464 E N 1.179 121.464 120.200 0.141 0.000 2.058 464 E HA -0.243 4.107 4.350 0.000 0.000 0.194 464 E C 2.407 179.020 176.600 0.022 0.000 0.997 464 E CA 1.156 57.626 56.400 0.117 0.000 0.801 464 E CB 0.113 29.911 29.700 0.163 0.000 0.746 464 E HN 0.320 nan 8.360 nan 0.000 0.450 465 R N 0.099 120.590 120.500 -0.014 0.000 2.075 465 R HA -0.077 4.263 4.340 0.000 0.000 0.232 465 R C 2.543 178.787 176.300 -0.094 0.000 1.126 465 R CA 0.903 56.965 56.100 -0.064 0.000 0.963 465 R CB -0.491 29.741 30.300 -0.112 0.000 0.858 465 R HN 0.339 nan 8.270 nan 0.000 0.435 466 L N -0.739 120.409 121.223 -0.125 0.000 2.162 466 L HA -0.059 4.281 4.340 0.000 0.000 0.205 466 L C 1.967 178.586 176.870 -0.419 0.000 1.086 466 L CA 1.046 55.717 54.840 -0.282 0.000 0.778 466 L CB -0.338 41.502 42.059 -0.365 0.000 0.928 466 L HN 0.260 nan 8.230 nan 0.000 0.446 467 H N -0.766 118.244 119.070 -0.100 0.000 2.885 467 H HA 0.292 4.848 4.556 0.000 0.000 0.260 467 H C 0.912 176.165 175.328 -0.125 0.000 0.985 467 H CA 0.720 56.692 56.048 -0.126 0.000 1.210 467 H CB 0.993 30.647 29.762 -0.180 0.000 1.466 467 H HN 0.284 nan 8.280 nan 0.000 0.493 468 G N 1.201 109.996 108.800 -0.008 0.000 2.733 468 G HA2 -0.236 3.724 3.960 0.000 0.000 0.686 468 G HA3 -0.236 3.724 3.960 0.000 0.000 0.686 468 G C 0.701 175.576 174.900 -0.042 0.000 1.373 468 G CA -0.151 44.944 45.100 -0.009 0.000 0.838 468 G HN 0.238 nan 8.290 nan 0.000 0.588 469 L N 0.957 122.222 121.223 0.071 0.000 2.263 469 L HA -0.133 4.207 4.340 0.000 0.000 0.216 469 L C 3.133 180.065 176.870 0.104 0.000 1.111 469 L CA 1.951 56.921 54.840 0.216 0.000 0.773 469 L CB -0.478 41.744 42.059 0.272 0.000 0.906 469 L HN 0.845 nan 8.230 nan 0.000 0.439 470 S N 0.334 116.037 115.700 0.005 0.000 2.392 470 S HA -0.292 4.178 4.470 0.000 0.000 0.232 470 S C 2.151 176.678 174.600 -0.122 0.000 1.041 470 S CA 1.419 59.599 58.200 -0.035 0.000 1.026 470 S CB -0.118 63.053 63.200 -0.048 0.000 0.845 470 S HN 0.487 nan 8.310 nan 0.000 0.465 471 A N 0.025 122.676 122.820 -0.283 0.000 2.019 471 A HA 0.089 4.410 4.320 0.000 0.000 0.219 471 A C 1.562 178.915 177.584 -0.386 0.000 1.164 471 A CA 1.261 53.035 52.037 -0.439 0.000 0.644 471 A CB -0.804 17.820 19.000 -0.628 0.000 0.805 471 A HN 0.660 nan 8.150 nan 0.000 0.449 472 F N -0.403 119.567 119.950 0.033 0.000 2.797 472 F HA 0.174 4.701 4.527 0.000 0.000 0.302 472 F C 1.684 177.535 175.800 0.085 0.000 1.130 472 F CA 0.685 58.731 58.000 0.077 0.000 1.387 472 F CB 0.100 39.180 39.000 0.133 0.000 1.107 472 F HN 0.085 nan 8.300 nan 0.000 0.577 473 S N -0.803 114.997 115.700 0.167 0.000 2.687 473 S HA 0.289 4.759 4.470 0.000 0.000 0.247 473 S C 0.488 175.162 174.600 0.124 0.000 1.050 473 S CA -0.337 57.956 58.200 0.155 0.000 1.063 473 S CB 0.351 63.632 63.200 0.136 0.000 1.039 473 S HN 0.015 nan 8.310 nan 0.000 0.580 474 L N 3.741 124.958 121.223 -0.011 0.000 2.525 474 L HA 0.220 4.560 4.340 0.000 0.000 0.278 474 L C 0.426 177.222 176.870 -0.125 0.000 1.218 474 L CA 0.544 55.267 54.840 -0.196 0.000 0.878 474 L CB -0.072 41.736 42.059 -0.418 0.000 1.127 474 L HN 0.538 nan 8.230 nan 0.000 0.492 475 H N -1.316 117.573 119.070 -0.301 0.000 2.948 475 H HA 0.384 4.940 4.556 0.000 0.000 0.315 475 H C -0.379 174.831 175.328 -0.196 0.000 1.360 475 H CA -0.838 55.104 56.048 -0.177 0.000 1.125 475 H CB 1.088 30.845 29.762 -0.008 0.000 1.844 475 H HN 0.402 nan 8.280 nan 0.000 0.529 476 S N -0.509 115.239 115.700 0.081 0.000 3.667 476 S HA -0.227 4.244 4.470 0.000 0.000 0.405 476 S C -0.580 174.057 174.600 0.062 0.000 0.913 476 S CA 0.427 58.683 58.200 0.094 0.000 1.288 476 S CB -2.537 60.656 63.200 -0.011 0.000 0.905 476 S HN 0.549 nan 8.310 nan 0.000 0.550 477 Y N 1.772 122.131 120.300 0.099 0.000 2.296 477 Y HA 0.329 4.879 4.550 0.000 0.000 0.343 477 Y C 1.444 177.410 175.900 0.111 0.000 1.292 477 Y CA 0.400 58.560 58.100 0.099 0.000 1.490 477 Y CB 0.404 38.912 38.460 0.079 0.000 1.359 477 Y HN 0.560 nan 8.280 nan 0.000 0.599 478 S N 1.159 117.027 115.700 0.280 0.000 2.580 478 S HA 0.165 4.635 4.470 0.000 0.000 0.274 478 S C -2.039 172.650 174.600 0.148 0.000 1.329 478 S CA -1.166 57.138 58.200 0.172 0.000 1.036 478 S CB 1.291 64.567 63.200 0.126 0.000 0.919 478 S HN 0.414 nan 8.310 nan 0.000 0.515 479 P HA -0.035 nan 4.420 nan 0.000 0.216 479 P C 1.716 179.060 177.300 0.073 0.000 1.153 479 P CA 1.758 64.910 63.100 0.085 0.000 0.858 479 P CB -0.458 31.283 31.700 0.067 0.000 0.789 480 G N -0.244 108.596 108.800 0.066 0.000 2.418 480 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 480 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 480 G C 1.666 176.600 174.900 0.056 0.000 1.158 480 G CA 0.942 46.072 45.100 0.050 0.000 0.771 480 G HN 0.274 nan 8.290 nan 0.000 0.545 481 E N 0.650 120.903 120.200 0.088 0.000 2.028 481 E HA -0.047 4.303 4.350 0.000 0.000 0.191 481 E C 2.429 179.079 176.600 0.083 0.000 0.988 481 E CA 0.788 57.252 56.400 0.107 0.000 0.799 481 E CB -0.420 29.400 29.700 0.199 0.000 0.755 481 E HN 0.467 nan 8.360 nan 0.000 0.447 482 I N 0.982 121.607 120.570 0.092 0.000 2.151 482 I HA -0.340 3.830 4.170 0.000 0.000 0.243 482 I C 1.918 178.061 176.117 0.044 0.000 1.080 482 I CA 1.366 62.704 61.300 0.063 0.000 1.339 482 I CB -0.463 37.590 38.000 0.088 0.000 1.039 482 I HN 0.180 nan 8.210 nan 0.000 0.409 483 N N 0.527 119.254 118.700 0.045 0.000 2.149 483 N HA -0.211 4.529 4.740 0.000 0.000 0.188 483 N C 1.875 177.394 175.510 0.015 0.000 1.019 483 N CA 1.180 54.249 53.050 0.031 0.000 0.857 483 N CB -0.462 38.044 38.487 0.031 0.000 0.997 483 N HN 0.343 nan 8.380 nan 0.000 0.426 484 R N 0.710 121.215 120.500 0.008 0.000 2.075 484 R HA -0.016 4.324 4.340 0.000 0.000 0.232 484 R C 1.838 178.112 176.300 -0.045 0.000 1.126 484 R CA 0.851 56.938 56.100 -0.021 0.000 0.963 484 R CB -0.099 30.182 30.300 -0.032 0.000 0.858 484 R HN -0.023 nan 8.270 nan 0.000 0.435 485 V N 1.024 120.919 119.914 -0.031 0.000 2.261 485 V HA -0.234 3.886 4.120 0.000 0.000 0.246 485 V C 2.491 178.573 176.094 -0.018 0.000 1.047 485 V CA 1.974 64.248 62.300 -0.043 0.000 1.015 485 V CB -0.863 30.962 31.823 0.003 0.000 0.642 485 V HN 0.545 nan 8.190 nan 0.000 0.446 486 A N -0.333 122.492 122.820 0.008 0.000 1.883 486 A HA -0.290 4.030 4.320 0.000 0.000 0.217 486 A C 2.587 180.184 177.584 0.021 0.000 1.186 486 A CA 2.524 54.576 52.037 0.026 0.000 0.624 486 A CB -1.005 18.016 19.000 0.035 0.000 0.822 486 A HN 0.517 nan 8.150 nan 0.000 0.444 487 S N -1.218 114.488 115.700 0.011 0.000 2.370 487 S HA -0.243 4.227 4.470 0.000 0.000 0.226 487 S C 2.095 176.699 174.600 0.006 0.000 1.033 487 S CA 1.798 60.004 58.200 0.010 0.000 1.011 487 S CB -1.059 62.142 63.200 0.002 0.000 0.852 487 S HN 0.797 nan 8.310 nan 0.000 0.457 488 C N 1.363 120.652 119.300 -0.020 0.000 2.429 488 C HA 0.064 4.525 4.460 0.000 0.000 0.277 488 C C 2.529 177.520 174.990 0.000 0.000 1.262 488 C CA 0.940 59.939 59.018 -0.032 0.000 1.733 488 C CB -1.733 25.948 27.740 -0.098 0.000 2.010 488 C HN 0.703 nan 8.230 nan 0.000 0.483 489 L N 0.331 121.560 121.223 0.010 0.000 2.083 489 L HA -0.103 4.238 4.340 0.000 0.000 0.209 489 L C 3.013 179.913 176.870 0.049 0.000 1.083 489 L CA 1.557 56.420 54.840 0.038 0.000 0.752 489 L CB -0.885 41.215 42.059 0.068 0.000 0.899 489 L HN 0.370 nan 8.230 nan 0.000 0.433 490 R N 0.398 120.932 120.500 0.056 0.000 2.081 490 R HA -0.177 4.163 4.340 0.000 0.000 0.235 490 R C 2.338 178.717 176.300 0.132 0.000 1.131 490 R CA 1.282 57.430 56.100 0.081 0.000 0.960 490 R CB -0.233 30.105 30.300 0.064 0.000 0.856 490 R HN 0.305 nan 8.270 nan 0.000 0.436 491 K N 1.078 121.541 120.400 0.105 0.000 2.002 491 K HA -0.110 4.210 4.320 0.000 0.000 0.209 491 K C 1.870 178.618 176.600 0.246 0.000 1.048 491 K CA 1.281 57.646 56.287 0.130 0.000 0.930 491 K CB -0.001 32.541 32.500 0.071 0.000 0.714 491 K HN 0.111 nan 8.250 nan 0.000 0.438 492 L N -0.356 120.960 121.223 0.155 0.000 2.509 492 L HA 0.143 4.483 4.340 0.000 0.000 0.222 492 L C 0.835 177.644 176.870 -0.100 0.000 1.123 492 L CA 0.378 55.292 54.840 0.123 0.000 0.856 492 L CB 0.138 42.235 42.059 0.064 0.000 0.985 492 L HN 0.572 nan 8.230 nan 0.000 0.456 493 G N 1.109 109.776 108.800 -0.221 0.000 2.272 493 G HA2 -0.222 3.738 3.960 0.000 0.000 0.280 493 G HA3 -0.222 3.738 3.960 0.000 0.000 0.280 493 G C -0.071 174.690 174.900 -0.232 0.000 1.067 493 G CA 0.009 44.772 45.100 -0.561 0.000 0.902 493 G HN 0.090 nan 8.290 nan 0.000 0.500 494 V N 0.782 120.669 119.914 -0.045 0.000 2.509 494 V HA 0.407 4.527 4.120 0.000 0.000 0.284 494 V C -1.162 175.017 176.094 0.143 0.000 1.047 494 V CA -1.579 60.780 62.300 0.097 0.000 0.952 494 V CB 1.484 33.398 31.823 0.152 0.000 0.988 494 V HN 0.221 nan 8.190 nan 0.000 0.469 495 P HA 0.097 nan 4.420 nan 0.000 0.265 495 P C -2.460 174.961 177.300 0.203 0.000 1.187 495 P CA -0.659 62.466 63.100 0.042 0.000 0.766 495 P CB -0.245 31.291 31.700 -0.273 0.000 0.820 496 P HA 0.015 nan 4.420 nan 0.000 0.268 496 P C 0.914 178.387 177.300 0.288 0.000 1.208 496 P CA 0.149 63.349 63.100 0.166 0.000 0.777 496 P CB 0.606 32.357 31.700 0.086 0.000 0.875 497 L N 1.198 122.603 121.223 0.303 0.000 2.349 497 L HA -0.196 4.144 4.340 0.000 0.000 0.220 497 L C 2.644 179.717 176.870 0.338 0.000 1.130 497 L CA 1.539 56.597 54.840 0.363 0.000 0.791 497 L CB -0.714 41.458 42.059 0.189 0.000 0.918 497 L HN 0.482 nan 8.230 nan 0.000 0.444 498 R N -1.103 119.530 120.500 0.222 0.000 2.153 498 R HA -0.028 4.312 4.340 0.000 0.000 0.218 498 R C 1.888 178.279 176.300 0.153 0.000 1.072 498 R CA 0.718 56.928 56.100 0.183 0.000 0.990 498 R CB -0.689 29.678 30.300 0.111 0.000 0.889 498 R HN 0.073 nan 8.270 nan 0.000 0.452 499 V N 0.557 120.509 119.914 0.063 0.000 2.379 499 V HA -0.155 3.965 4.120 0.000 0.000 0.245 499 V C 1.794 177.871 176.094 -0.028 0.000 1.044 499 V CA 1.623 63.876 62.300 -0.078 0.000 1.036 499 V CB -0.609 31.039 31.823 -0.291 0.000 0.664 499 V HN 0.377 nan 8.190 nan 0.000 0.453 500 W N 0.168 121.582 121.300 0.190 0.000 2.363 500 W HA -0.126 4.535 4.660 0.000 0.000 0.296 500 W C 2.728 179.473 176.519 0.377 0.000 1.212 500 W CA 1.491 58.992 57.345 0.259 0.000 1.260 500 W CB -0.308 29.295 29.460 0.239 0.000 1.131 500 W HN 0.049 nan 8.180 nan 0.000 0.530 501 R N -0.244 120.615 120.500 0.598 0.000 2.081 501 R HA -0.234 4.106 4.340 0.000 0.000 0.235 501 R C 2.086 178.513 176.300 0.212 0.000 1.131 501 R CA 2.148 58.537 56.100 0.481 0.000 0.960 501 R CB -0.695 29.863 30.300 0.430 0.000 0.856 501 R HN 0.263 nan 8.270 nan 0.000 0.436 502 H N 0.243 119.375 119.070 0.103 0.000 2.290 502 H HA -0.057 4.499 4.556 0.000 0.000 0.298 502 H C 2.079 177.397 175.328 -0.016 0.000 1.087 502 H CA 2.283 58.338 56.048 0.012 0.000 1.291 502 H CB 0.075 29.827 29.762 -0.016 0.000 1.369 502 H HN 0.119 nan 8.280 nan 0.000 0.492 503 R N -0.215 120.310 120.500 0.041 0.000 2.105 503 R HA -0.093 4.247 4.340 0.000 0.000 0.239 503 R C 2.544 178.800 176.300 -0.072 0.000 1.135 503 R CA 0.996 57.079 56.100 -0.028 0.000 0.967 503 R CB -0.307 30.019 30.300 0.044 0.000 0.861 503 R HN 0.421 nan 8.270 nan 0.000 0.442 504 A N 1.229 124.053 122.820 0.007 0.000 1.933 504 A HA -0.169 4.151 4.320 0.000 0.000 0.218 504 A C 2.044 179.384 177.584 -0.406 0.000 1.175 504 A CA 1.143 53.068 52.037 -0.187 0.000 0.628 504 A CB -0.339 18.610 19.000 -0.085 0.000 0.814 504 A HN 0.224 nan 8.150 nan 0.000 0.444 505 R N -0.552 119.759 120.500 -0.315 0.000 2.096 505 R HA -0.148 4.192 4.340 0.000 0.000 0.240 505 R C 2.667 178.790 176.300 -0.295 0.000 1.139 505 R CA 1.664 57.583 56.100 -0.302 0.000 0.952 505 R CB -0.543 29.605 30.300 -0.254 0.000 0.854 505 R HN 0.572 nan 8.270 nan 0.000 0.436 506 S N 0.293 115.815 115.700 -0.296 0.000 2.356 506 S HA -0.116 4.354 4.470 0.000 0.000 0.223 506 S C 2.071 176.524 174.600 -0.245 0.000 1.032 506 S CA 1.469 59.523 58.200 -0.244 0.000 1.005 506 S CB -0.168 62.900 63.200 -0.220 0.000 0.867 506 S HN 0.139 nan 8.310 nan 0.000 0.449 507 V N 2.378 122.102 119.914 -0.317 0.000 2.343 507 V HA -0.133 3.987 4.120 0.000 0.000 0.247 507 V C 2.714 178.527 176.094 -0.469 0.000 1.051 507 V CA 2.201 64.272 62.300 -0.381 0.000 1.036 507 V CB -0.868 30.652 31.823 -0.503 0.000 0.654 507 V HN 0.493 nan 8.190 nan 0.000 0.451 508 R N 0.286 120.427 120.500 -0.599 0.000 2.094 508 R HA -0.220 4.120 4.340 0.000 0.000 0.239 508 R C 2.323 178.499 176.300 -0.206 0.000 1.137 508 R CA 1.963 57.834 56.100 -0.381 0.000 0.943 508 R CB -0.515 29.597 30.300 -0.313 0.000 0.850 508 R HN 0.485 nan 8.270 nan 0.000 0.433 509 A N 0.928 123.631 122.820 -0.195 0.000 1.902 509 A HA -0.168 4.153 4.320 0.000 0.000 0.217 509 A C 2.203 179.727 177.584 -0.100 0.000 1.181 509 A CA 1.528 53.486 52.037 -0.131 0.000 0.623 509 A CB -0.459 18.463 19.000 -0.130 0.000 0.818 509 A HN 0.383 nan 8.150 nan 0.000 0.443 510 R N -0.585 119.851 120.500 -0.108 0.000 2.083 510 R HA -0.061 4.279 4.340 0.000 0.000 0.237 510 R C 2.097 178.374 176.300 -0.038 0.000 1.137 510 R CA 1.527 57.587 56.100 -0.067 0.000 0.951 510 R CB -0.545 29.716 30.300 -0.066 0.000 0.851 510 R HN 0.505 nan 8.270 nan 0.000 0.434 511 L N 0.533 121.728 121.223 -0.047 0.000 2.046 511 L HA -0.210 4.130 4.340 0.000 0.000 0.208 511 L C 2.399 179.268 176.870 -0.002 0.000 1.077 511 L CA 1.240 56.079 54.840 -0.001 0.000 0.747 511 L CB -0.413 41.647 42.059 0.001 0.000 0.896 511 L HN 0.228 nan 8.230 nan 0.000 0.432 512 L N -0.963 120.243 121.223 -0.029 0.000 2.042 512 L HA -0.228 4.112 4.340 0.000 0.000 0.210 512 L C 2.686 179.546 176.870 -0.017 0.000 1.076 512 L CA 1.154 55.980 54.840 -0.025 0.000 0.749 512 L CB -0.452 41.580 42.059 -0.046 0.000 0.893 512 L HN 0.201 nan 8.230 nan 0.000 0.432 513 S N -0.624 115.062 115.700 -0.022 0.000 2.419 513 S HA -0.188 4.282 4.470 0.000 0.000 0.235 513 S C 1.823 176.422 174.600 -0.002 0.000 1.019 513 S CA 1.040 59.231 58.200 -0.015 0.000 0.982 513 S CB -0.173 63.014 63.200 -0.021 0.000 0.789 513 S HN 0.487 nan 8.310 nan 0.000 0.490 514 Q N 0.587 120.393 119.800 0.009 0.000 2.378 514 Q HA 0.193 4.533 4.340 0.000 0.000 0.205 514 Q C 1.487 177.500 176.000 0.022 0.000 0.954 514 Q CA 0.594 56.409 55.803 0.021 0.000 0.901 514 Q CB -0.562 28.199 28.738 0.038 0.000 0.981 514 Q HN 0.520 nan 8.270 nan 0.000 0.483 515 G N 0.601 109.412 108.800 0.018 0.000 2.692 515 G HA2 -0.156 3.804 3.960 0.000 0.000 0.248 515 G HA3 -0.156 3.804 3.960 0.000 0.000 0.248 515 G C 0.496 175.414 174.900 0.030 0.000 1.340 515 G CA 0.236 45.348 45.100 0.019 0.000 0.896 515 G HN 0.772 nan 8.290 nan 0.000 0.570 516 G N -1.030 107.787 108.800 0.028 0.000 2.581 516 G HA2 -0.257 3.704 3.960 0.000 0.000 0.291 516 G HA3 -0.257 3.704 3.960 0.000 0.000 0.291 516 G C 1.196 176.121 174.900 0.042 0.000 1.277 516 G CA 1.391 46.511 45.100 0.033 0.000 0.959 516 G HN 1.431 nan 8.290 nan 0.000 0.554 517 R N 0.071 120.600 120.500 0.048 0.000 2.105 517 R HA -0.051 4.289 4.340 0.000 0.000 0.239 517 R C 3.219 179.567 176.300 0.081 0.000 1.135 517 R CA 2.051 58.186 56.100 0.058 0.000 0.967 517 R CB -0.659 29.681 30.300 0.066 0.000 0.861 517 R HN 0.702 nan 8.270 nan 0.000 0.442 518 A N 1.246 124.122 122.820 0.092 0.000 1.902 518 A HA -0.142 4.178 4.320 0.000 0.000 0.217 518 A C 2.389 180.018 177.584 0.075 0.000 1.181 518 A CA 1.756 53.859 52.037 0.111 0.000 0.623 518 A CB -0.612 18.452 19.000 0.107 0.000 0.818 518 A HN 0.404 nan 8.150 nan 0.000 0.443 519 A N -0.939 121.913 122.820 0.053 0.000 1.933 519 A HA -0.090 4.230 4.320 0.000 0.000 0.218 519 A C 2.288 179.902 177.584 0.051 0.000 1.175 519 A CA 2.306 54.365 52.037 0.036 0.000 0.628 519 A CB -1.316 17.699 19.000 0.024 0.000 0.814 519 A HN 0.452 nan 8.150 nan 0.000 0.444 520 T N -0.644 113.952 114.554 0.069 0.000 2.720 520 T HA -0.214 4.137 4.350 0.000 0.000 0.268 520 T C 1.897 176.662 174.700 0.107 0.000 1.037 520 T CA 1.581 63.749 62.100 0.113 0.000 1.144 520 T CB -0.778 68.114 68.868 0.039 0.000 0.864 520 T HN 0.580 nan 8.240 nan 0.000 0.444 521 C N 1.399 120.727 119.300 0.046 0.000 2.413 521 C HA 0.007 4.467 4.460 0.000 0.000 0.276 521 C C 3.124 178.116 174.990 0.003 0.000 1.236 521 C CA 0.531 59.532 59.018 -0.028 0.000 1.735 521 C CB -1.590 26.114 27.740 -0.060 0.000 2.031 521 C HN 0.742 nan 8.230 nan 0.000 0.474 522 G N 0.134 108.970 108.800 0.060 0.000 2.459 522 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 522 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 522 G C 1.626 176.555 174.900 0.048 0.000 1.183 522 G CA 1.262 46.423 45.100 0.103 0.000 0.776 522 G HN 0.642 nan 8.290 nan 0.000 0.552 523 K N -0.797 119.586 120.400 -0.029 0.000 2.026 523 K HA -0.089 4.231 4.320 0.000 0.000 0.208 523 K C 2.268 178.666 176.600 -0.337 0.000 1.048 523 K CA 1.318 57.495 56.287 -0.183 0.000 0.929 523 K CB -0.282 32.078 32.500 -0.234 0.000 0.713 523 K HN 0.455 nan 8.250 nan 0.000 0.439 524 Y N 0.583 120.697 120.300 -0.309 0.000 2.262 524 Y HA 0.001 4.551 4.550 0.000 0.000 0.295 524 Y C 2.076 177.716 175.900 -0.433 0.000 1.121 524 Y CA 0.690 58.415 58.100 -0.624 0.000 1.144 524 Y CB -0.011 37.748 38.460 -1.169 0.000 1.043 524 Y HN -0.062 nan 8.280 nan 0.000 0.528 525 L N -1.565 119.542 121.223 -0.194 0.000 2.201 525 L HA -0.149 4.191 4.340 0.000 0.000 0.212 525 L C 0.687 177.309 176.870 -0.414 0.000 1.105 525 L CA 1.373 56.046 54.840 -0.278 0.000 0.775 525 L CB -0.314 41.359 42.059 -0.644 0.000 0.913 525 L HN 0.219 nan 8.230 nan 0.000 0.440 526 F N -1.757 118.172 119.950 -0.034 0.000 2.698 526 F HA 0.180 4.707 4.527 0.000 0.000 0.304 526 F C 1.606 177.113 175.800 -0.488 0.000 1.108 526 F CA -0.405 57.384 58.000 -0.351 0.000 1.263 526 F CB -0.454 38.331 39.000 -0.357 0.000 1.013 526 F HN -0.081 nan 8.300 nan 0.000 0.532 527 N N 1.194 119.832 118.700 -0.102 0.000 2.289 527 N HA -0.198 4.542 4.740 0.000 0.000 0.184 527 N C 2.001 177.494 175.510 -0.027 0.000 1.016 527 N CA 1.646 54.646 53.050 -0.084 0.000 0.872 527 N CB -0.206 38.250 38.487 -0.051 0.000 0.973 527 N HN 0.533 nan 8.380 nan 0.000 0.433 528 W N -0.235 121.117 121.300 0.086 0.000 2.392 528 W HA 0.038 4.698 4.660 0.000 0.000 0.279 528 W C 1.359 177.941 176.519 0.106 0.000 1.225 528 W CA 0.794 58.198 57.345 0.098 0.000 1.233 528 W CB -0.982 28.548 29.460 0.116 0.000 1.122 528 W HN 0.068 nan 8.180 nan 0.000 0.561 529 A N 1.436 123.864 122.820 -0.653 0.000 2.119 529 A HA 0.172 4.492 4.320 0.000 0.000 0.216 529 A C 1.099 178.542 177.584 -0.234 0.000 1.152 529 A CA 1.127 52.774 52.037 -0.651 0.000 0.708 529 A CB -0.845 17.541 19.000 -1.024 0.000 0.805 529 A HN 0.142 nan 8.150 nan 0.000 0.460 530 V N -3.407 116.408 119.914 -0.165 0.000 2.612 530 V HA 0.471 4.591 4.120 0.000 0.000 0.301 530 V C 0.805 176.877 176.094 -0.038 0.000 1.046 530 V CA -0.791 61.450 62.300 -0.097 0.000 0.946 530 V CB 1.514 33.272 31.823 -0.109 0.000 1.003 530 V HN 0.272 nan 8.190 nan 0.000 0.459 531 K N 1.064 121.448 120.400 -0.027 0.000 2.001 531 K HA -0.020 4.300 4.320 0.000 0.000 0.208 531 K C 1.138 177.725 176.600 -0.021 0.000 1.048 531 K CA 1.747 58.027 56.287 -0.011 0.000 0.932 531 K CB -0.119 32.376 32.500 -0.008 0.000 0.715 531 K HN 0.856 nan 8.250 nan 0.000 0.437 532 T N 2.124 116.658 114.554 -0.032 0.000 2.753 532 T HA 0.155 4.505 4.350 0.000 0.000 0.297 532 T C -0.586 174.086 174.700 -0.046 0.000 0.981 532 T CA -0.873 61.205 62.100 -0.035 0.000 0.956 532 T CB 0.346 69.194 68.868 -0.033 0.000 0.936 532 T HN -0.010 nan 8.240 nan 0.000 0.463 533 K N 4.016 124.389 120.400 -0.044 0.000 2.118 533 K HA 0.460 4.780 4.320 0.000 0.000 0.240 533 K C 0.084 176.642 176.600 -0.071 0.000 1.035 533 K CA -0.717 55.536 56.287 -0.056 0.000 0.899 533 K CB 0.777 33.254 32.500 -0.039 0.000 1.085 533 K HN 0.514 nan 8.250 nan 0.000 0.498 534 L N 0.756 121.919 121.223 -0.100 0.000 2.352 534 L HA 0.342 4.682 4.340 0.000 0.000 0.269 534 L C 0.025 176.822 176.870 -0.122 0.000 1.034 534 L CA -1.252 53.518 54.840 -0.117 0.000 0.806 534 L CB 1.048 43.012 42.059 -0.159 0.000 1.244 534 L HN 0.453 nan 8.230 nan 0.000 0.447 535 K N 2.117 122.457 120.400 -0.100 0.000 2.349 535 K HA 0.378 4.698 4.320 0.000 0.000 0.288 535 K C -1.026 175.506 176.600 -0.114 0.000 1.058 535 K CA 0.121 56.362 56.287 -0.076 0.000 0.953 535 K CB 0.216 32.693 32.500 -0.039 0.000 0.997 535 K HN 0.407 nan 8.250 nan 0.000 0.477 536 L N 5.019 126.185 121.223 -0.095 0.000 2.265 536 L HA 0.387 4.727 4.340 0.000 0.000 0.289 536 L C 0.357 177.288 176.870 0.102 0.000 1.033 536 L CA -0.704 54.078 54.840 -0.096 0.000 0.814 536 L CB 1.198 43.197 42.059 -0.099 0.000 1.203 536 L HN 0.793 nan 8.230 nan 0.000 0.423 537 T N 0.590 115.250 114.554 0.176 0.000 2.940 537 T HA 0.634 4.984 4.350 0.000 0.000 0.288 537 T C -2.690 172.135 174.700 0.209 0.000 1.045 537 T CA -2.424 59.773 62.100 0.161 0.000 1.018 537 T CB 1.851 70.779 68.868 0.099 0.000 1.151 537 T HN 0.144 nan 8.240 nan 0.000 0.529 538 P HA 0.218 nan 4.420 nan 0.000 0.265 538 P C -0.590 176.717 177.300 0.012 0.000 1.187 538 P CA -0.071 63.068 63.100 0.064 0.000 0.766 538 P CB 0.089 31.814 31.700 0.042 0.000 0.820 539 I N 5.739 126.258 120.570 -0.085 0.000 2.396 539 I HA 0.109 4.280 4.170 0.000 0.000 0.289 539 I C -1.166 174.909 176.117 -0.070 0.000 1.056 539 I CA -1.683 59.533 61.300 -0.140 0.000 1.365 539 I CB 0.941 38.764 38.000 -0.295 0.000 1.407 539 I HN 0.353 nan 8.210 nan 0.000 0.509 540 P HA -0.230 nan 4.420 nan 0.000 0.214 540 P C 1.303 178.583 177.300 -0.033 0.000 1.163 540 P CA 1.240 64.324 63.100 -0.026 0.000 0.889 540 P CB 0.200 31.891 31.700 -0.014 0.000 0.790 541 A N -0.637 122.159 122.820 -0.040 0.000 2.239 541 A HA 0.101 4.421 4.320 0.000 0.000 0.209 541 A C 2.164 179.719 177.584 -0.048 0.000 1.171 541 A CA 1.246 53.260 52.037 -0.038 0.000 0.768 541 A CB -1.324 17.657 19.000 -0.031 0.000 0.790 541 A HN 0.186 nan 8.150 nan 0.000 0.478 542 A N -0.400 122.385 122.820 -0.059 0.000 1.978 542 A HA -0.097 4.223 4.320 0.000 0.000 0.220 542 A C 2.365 179.907 177.584 -0.069 0.000 1.170 542 A CA 1.999 53.996 52.037 -0.067 0.000 0.636 542 A CB -0.638 18.322 19.000 -0.065 0.000 0.810 542 A HN 0.432 nan 8.150 nan 0.000 0.448 543 S N -0.511 115.155 115.700 -0.056 0.000 2.428 543 S HA -0.108 4.362 4.470 0.000 0.000 0.230 543 S C 2.061 176.625 174.600 -0.061 0.000 1.014 543 S CA 0.984 59.151 58.200 -0.056 0.000 0.957 543 S CB -0.209 62.967 63.200 -0.040 0.000 0.784 543 S HN 0.594 nan 8.310 nan 0.000 0.499 544 Q N 0.890 120.659 119.800 -0.053 0.000 2.135 544 Q HA 0.036 4.376 4.340 0.000 0.000 0.204 544 Q C 0.665 176.629 176.000 -0.060 0.000 0.981 544 Q CA 0.582 56.357 55.803 -0.046 0.000 0.856 544 Q CB -0.671 28.047 28.738 -0.034 0.000 0.902 544 Q HN 0.488 nan 8.270 nan 0.000 0.425 545 L N 2.603 123.777 121.223 -0.082 0.000 2.513 545 L HA -0.047 4.293 4.340 0.000 0.000 0.272 545 L C 0.263 177.043 176.870 -0.149 0.000 1.187 545 L CA -0.213 54.560 54.840 -0.113 0.000 0.895 545 L CB 0.203 42.170 42.059 -0.153 0.000 1.147 545 L HN -0.014 nan 8.230 nan 0.000 0.483 546 D N 4.321 124.643 120.400 -0.130 0.000 2.468 546 D HA 0.167 4.807 4.640 0.000 0.000 0.218 546 D C 0.625 176.784 176.300 -0.234 0.000 1.155 546 D CA -0.028 53.892 54.000 -0.134 0.000 0.924 546 D CB 0.574 41.335 40.800 -0.065 0.000 1.029 546 D HN 0.357 nan 8.370 nan 0.000 0.515 547 L N 2.205 123.206 121.223 -0.369 0.000 2.629 547 L HA 0.094 4.435 4.340 0.000 0.000 0.230 547 L C 0.935 177.605 176.870 -0.333 0.000 1.151 547 L CA -0.255 54.164 54.840 -0.703 0.000 0.924 547 L CB -0.482 41.077 42.059 -0.833 0.000 1.137 547 L HN 0.310 nan 8.230 nan 0.000 0.457 548 S N -0.126 115.494 115.700 -0.134 0.000 2.549 548 S HA 0.359 4.829 4.470 0.000 0.000 0.286 548 S C 1.284 175.917 174.600 0.055 0.000 1.314 548 S CA 0.251 58.440 58.200 -0.019 0.000 1.062 548 S CB 1.258 64.447 63.200 -0.019 0.000 0.865 548 S HN 0.538 nan 8.310 nan 0.000 0.498 549 G N 2.576 111.428 108.800 0.086 0.000 2.213 549 G HA2 -0.247 3.713 3.960 0.000 0.000 0.236 549 G HA3 -0.247 3.713 3.960 0.000 0.000 0.236 549 G C 0.532 175.560 174.900 0.214 0.000 0.991 549 G CA 0.276 45.418 45.100 0.070 0.000 0.629 549 G HN 0.683 nan 8.290 nan 0.000 0.517 550 W N 0.329 121.547 121.300 -0.137 0.000 2.378 550 W HA 0.434 5.094 4.660 0.000 0.000 0.313 550 W C 1.317 177.500 176.519 -0.561 0.000 1.197 550 W CA 1.457 58.522 57.345 -0.466 0.000 1.304 550 W CB -0.414 28.538 29.460 -0.846 0.000 1.148 550 W HN 0.191 nan 8.180 nan 0.000 0.494 551 F N -0.602 119.531 119.950 0.304 0.000 2.627 551 F HA 0.292 4.819 4.527 0.000 0.000 0.329 551 F C 0.659 176.591 175.800 0.221 0.000 1.378 551 F CA -0.478 57.685 58.000 0.273 0.000 1.134 551 F CB -0.258 38.859 39.000 0.195 0.000 1.229 551 F HN -0.381 nan 8.300 nan 0.000 0.537 552 V N -0.088 120.029 119.914 0.338 0.000 2.743 552 V HA 0.561 4.681 4.120 0.000 0.000 0.237 552 V C 0.987 177.227 176.094 0.243 0.000 1.113 552 V CA 0.787 63.230 62.300 0.239 0.000 1.141 552 V CB 0.339 32.275 31.823 0.187 0.000 0.873 552 V HN 0.381 nan 8.190 nan 0.000 0.486 553 A N -0.884 122.059 122.820 0.206 0.000 2.593 553 A HA 0.806 5.126 4.320 0.000 0.000 0.290 553 A C -0.316 177.009 177.584 -0.431 0.000 1.126 553 A CA 0.071 52.092 52.037 -0.027 0.000 0.695 553 A CB 1.194 20.032 19.000 -0.271 0.000 1.290 553 A HN 0.393 nan 8.150 nan 0.000 0.414 554 G N -1.541 106.687 108.800 -0.953 0.000 2.400 554 G HA2 0.567 4.527 3.960 0.000 0.000 0.333 554 G HA3 0.567 4.527 3.960 0.000 0.000 0.333 554 G C -1.099 173.164 174.900 -1.060 0.000 1.143 554 G CA -0.175 44.014 45.100 -1.518 0.000 0.914 554 G HN 0.609 nan 8.290 nan 0.000 0.480 555 Y N 0.524 120.603 120.300 -0.367 0.000 2.777 555 Y HA 0.292 4.842 4.550 0.000 0.000 0.248 555 Y C 1.208 177.030 175.900 -0.130 0.000 1.127 555 Y CA -0.792 57.200 58.100 -0.179 0.000 1.149 555 Y CB 0.551 38.938 38.460 -0.122 0.000 1.230 555 Y HN 0.521 nan 8.280 nan 0.000 0.586 556 S N 0.766 116.439 115.700 -0.045 0.000 2.575 556 S HA 0.313 4.783 4.470 0.000 0.000 0.295 556 S C 1.484 176.106 174.600 0.037 0.000 1.267 556 S CA 1.485 59.690 58.200 0.009 0.000 1.074 556 S CB 0.111 63.322 63.200 0.019 0.000 0.829 556 S HN 1.107 nan 8.310 nan 0.000 0.497 557 G N 3.548 112.370 108.800 0.037 0.000 2.189 557 G HA2 -0.239 3.721 3.960 0.000 0.000 0.267 557 G HA3 -0.239 3.721 3.960 0.000 0.000 0.267 557 G C 0.835 175.761 174.900 0.043 0.000 0.975 557 G CA 0.463 45.588 45.100 0.041 0.000 0.644 557 G HN 1.388 nan 8.290 nan 0.000 0.537 558 G N -0.262 108.568 108.800 0.049 0.000 2.985 558 G HA2 0.375 4.335 3.960 0.000 0.000 0.209 558 G HA3 0.375 4.335 3.960 0.000 0.000 0.209 558 G C 0.511 175.424 174.900 0.021 0.000 1.165 558 G CA 1.132 46.278 45.100 0.075 0.000 0.776 558 G HN 1.226 nan 8.290 nan 0.000 0.541 559 D N -0.573 119.800 120.400 -0.044 0.000 2.716 559 D HA -0.161 4.480 4.640 0.000 0.000 0.239 559 D C -0.122 176.089 176.300 -0.150 0.000 1.125 559 D CA 0.319 54.255 54.000 -0.107 0.000 0.681 559 D CB -1.208 39.545 40.800 -0.077 0.000 1.070 559 D HN 0.109 nan 8.370 nan 0.000 0.432 560 I N 1.192 121.635 120.570 -0.212 0.000 2.412 560 I HA 0.381 4.551 4.170 0.000 0.000 0.296 560 I C -0.081 175.789 176.117 -0.413 0.000 0.987 560 I CA -0.750 60.319 61.300 -0.384 0.000 1.180 560 I CB 1.220 38.818 38.000 -0.669 0.000 1.340 560 I HN 0.099 nan 8.210 nan 0.000 0.455 561 Y N 5.691 125.655 120.300 -0.559 0.000 2.338 561 Y HA 0.468 5.018 4.550 0.000 0.000 0.333 561 Y C -0.475 175.128 175.900 -0.494 0.000 0.968 561 Y CA -0.385 57.419 58.100 -0.493 0.000 1.123 561 Y CB 1.165 39.452 38.460 -0.289 0.000 1.165 561 Y HN 0.631 nan 8.280 nan 0.000 0.452 562 H N 0.000 118.513 119.070 -0.929 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.622 56.048 -0.710 0.000 1.023 562 H CB 0.000 29.312 29.762 -0.750 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496