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 3d5m_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 KNEVFCVQPX DATA SEQUENCE XXGRKPARLI 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 0.000 174.557 174.600 -0.071 0.000 1.055 1 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 1 S CB 0.000 63.163 63.200 -0.061 0.000 0.593 2 M N 2.860 122.413 119.600 -0.079 0.000 2.228 2 M HA 0.277 4.757 4.480 0.000 0.000 0.351 2 M C 1.853 178.022 176.300 -0.219 0.000 1.233 2 M CA -0.006 55.227 55.300 -0.111 0.000 1.129 2 M CB 0.559 33.116 32.600 -0.071 0.000 1.604 2 M HN 1.032 nan 8.290 nan 0.000 0.457 3 S N 2.483 117.979 115.700 -0.341 0.000 2.368 3 S HA -0.091 4.379 4.470 0.000 0.000 0.225 3 S C 0.124 174.258 174.600 -0.775 0.000 1.030 3 S CA 0.997 58.856 58.200 -0.568 0.000 0.999 3 S CB -0.251 62.526 63.200 -0.704 0.000 0.844 3 S HN 0.650 nan 8.310 nan 0.000 0.459 4 Y N 0.016 120.121 120.300 -0.325 0.000 2.553 4 Y HA 0.593 5.143 4.550 0.000 0.000 0.347 4 Y C -0.132 175.413 175.900 -0.592 0.000 1.019 4 Y CA -1.073 56.688 58.100 -0.565 0.000 1.032 4 Y CB 1.897 39.754 38.460 -1.005 0.000 1.284 4 Y HN -0.163 nan 8.280 nan 0.000 0.466 5 T N 1.302 115.587 114.554 -0.449 0.000 2.856 5 T HA 0.434 4.784 4.350 0.000 0.000 0.283 5 T C -1.375 173.048 174.700 -0.462 0.000 1.008 5 T CA -0.776 61.123 62.100 -0.336 0.000 0.997 5 T CB 0.596 69.396 68.868 -0.113 0.000 0.992 5 T HN 0.466 nan 8.240 nan 0.000 0.454 6 W N 1.091 122.444 121.300 0.088 0.000 2.666 6 W HA 0.389 5.049 4.660 0.000 0.000 0.334 6 W C 1.497 178.043 176.519 0.044 0.000 1.051 6 W CA -0.979 56.401 57.345 0.057 0.000 1.224 6 W CB 1.258 30.737 29.460 0.031 0.000 1.405 6 W HN 0.794 nan 8.180 nan 0.000 0.513 7 T N -1.913 112.817 114.554 0.293 0.000 3.014 7 T HA 0.283 4.633 4.350 0.000 0.000 0.263 7 T C 1.484 176.266 174.700 0.137 0.000 1.078 7 T CA 1.120 63.321 62.100 0.168 0.000 1.135 7 T CB -0.020 68.924 68.868 0.128 0.000 0.895 7 T HN 1.120 nan 8.240 nan 0.000 0.480 8 G N 1.329 110.217 108.800 0.146 0.000 2.352 8 G HA2 0.040 4.000 3.960 0.000 0.000 0.204 8 G HA3 0.040 4.000 3.960 0.000 0.000 0.204 8 G C 0.441 175.364 174.900 0.037 0.000 1.004 8 G CA -0.153 44.989 45.100 0.070 0.000 0.648 8 G HN 1.139 nan 8.290 nan 0.000 0.491 9 A N 1.234 124.088 122.820 0.057 0.000 2.561 9 A HA 0.543 4.863 4.320 0.000 0.000 0.234 9 A C 0.783 178.373 177.584 0.010 0.000 1.055 9 A CA 0.500 52.558 52.037 0.036 0.000 0.756 9 A CB 0.040 19.071 19.000 0.051 0.000 0.986 9 A HN 0.961 nan 8.150 nan 0.000 0.505 10 L N 2.014 123.231 121.223 -0.010 0.000 2.399 10 L HA 0.324 4.664 4.340 0.000 0.000 0.266 10 L C 0.093 176.945 176.870 -0.030 0.000 1.114 10 L CA -0.419 54.397 54.840 -0.040 0.000 0.804 10 L CB 0.808 42.847 42.059 -0.033 0.000 1.146 10 L HN 0.563 nan 8.230 nan 0.000 0.451 11 I N 1.638 122.174 120.570 -0.057 0.000 2.379 11 I HA 0.091 4.261 4.170 0.000 0.000 0.290 11 I C 0.440 176.549 176.117 -0.012 0.000 1.063 11 I CA 0.053 61.333 61.300 -0.033 0.000 1.351 11 I CB 0.752 38.717 38.000 -0.060 0.000 1.410 11 I HN 0.648 nan 8.210 nan 0.000 0.505 12 T N 5.012 119.570 114.554 0.006 0.000 2.895 12 T HA 0.600 4.950 4.350 0.000 0.000 0.283 12 T C -2.463 172.254 174.700 0.028 0.000 1.014 12 T CA -2.057 60.051 62.100 0.013 0.000 1.037 12 T CB 1.884 70.759 68.868 0.011 0.000 1.006 12 T HN 0.256 nan 8.240 nan 0.000 0.468 13 P HA 0.350 nan 4.420 nan 0.000 0.278 13 P C 0.090 177.414 177.300 0.039 0.000 1.266 13 P CA -0.697 62.426 63.100 0.039 0.000 0.807 13 P CB 0.984 32.707 31.700 0.037 0.000 1.094 14 C N -0.052 119.274 119.300 0.044 0.000 2.527 14 C HA 0.481 4.941 4.460 0.000 0.000 0.280 14 C C 1.311 176.321 174.990 0.033 0.000 1.353 14 C CA 0.867 59.908 59.018 0.039 0.000 1.749 14 C CB -0.600 27.166 27.740 0.045 0.000 2.088 14 C HN 0.681 nan 8.230 nan 0.000 0.508 15 A N -0.273 122.569 122.820 0.037 0.000 2.532 15 A HA 0.784 5.105 4.320 0.000 0.000 0.290 15 A C -0.471 177.140 177.584 0.044 0.000 1.143 15 A CA 0.085 52.145 52.037 0.038 0.000 0.728 15 A CB 0.104 19.128 19.000 0.041 0.000 1.317 15 A HN 0.498 nan 8.150 nan 0.000 0.414 16 A N 0.063 122.910 122.820 0.046 0.000 2.555 16 A HA 0.460 4.781 4.320 0.000 0.000 0.233 16 A C 0.002 177.629 177.584 0.071 0.000 1.060 16 A CA 0.519 52.588 52.037 0.053 0.000 0.759 16 A CB -0.277 18.753 19.000 0.051 0.000 0.995 16 A HN 0.671 nan 8.150 nan 0.000 0.506 17 E N 1.100 121.348 120.200 0.080 0.000 2.176 17 E HA 0.302 4.652 4.350 0.000 0.000 0.267 17 E C -0.993 175.691 176.600 0.141 0.000 0.893 17 E CA -0.404 56.058 56.400 0.104 0.000 0.761 17 E CB 1.669 31.419 29.700 0.083 0.000 1.133 17 E HN 0.728 nan 8.360 nan 0.000 0.409 18 E N 1.201 121.527 120.200 0.211 0.000 2.259 18 E HA 0.107 4.457 4.350 0.000 0.000 0.281 18 E C 0.233 177.075 176.600 0.403 0.000 1.027 18 E CA -0.082 56.490 56.400 0.286 0.000 0.838 18 E CB 1.174 31.076 29.700 0.337 0.000 1.066 18 E HN 0.559 nan 8.360 nan 0.000 0.401 19 S N 2.672 118.581 115.700 0.348 0.000 2.539 19 S HA 0.092 4.562 4.470 0.000 0.000 0.226 19 S C 0.676 175.564 174.600 0.481 0.000 1.054 19 S CA -0.204 58.223 58.200 0.378 0.000 0.910 19 S CB 0.402 63.753 63.200 0.252 0.000 0.818 19 S HN 0.225 nan 8.310 nan 0.000 0.490 20 K N 1.438 122.041 120.400 0.338 0.000 2.205 20 K HA 0.340 4.660 4.320 0.000 0.000 0.279 20 K C -0.792 175.854 176.600 0.077 0.000 1.027 20 K CA -0.749 55.678 56.287 0.234 0.000 0.932 20 K CB 0.753 33.324 32.500 0.119 0.000 1.032 20 K HN 0.191 nan 8.250 nan 0.000 0.466 21 L N 6.994 128.258 121.223 0.069 0.000 2.654 21 L HA 0.069 4.409 4.340 0.000 0.000 0.271 21 L C -2.318 174.299 176.870 -0.423 0.000 1.169 21 L CA -0.843 53.850 54.840 -0.245 0.000 0.947 21 L CB -0.084 41.988 42.059 0.022 0.000 1.232 21 L HN 0.459 nan 8.230 nan 0.000 0.486 22 P HA 0.191 nan 4.420 nan 0.000 0.271 22 P C -0.969 176.104 177.300 -0.377 0.000 1.216 22 P CA 0.024 62.830 63.100 -0.489 0.000 0.776 22 P CB 0.542 31.892 31.700 -0.582 0.000 0.881 23 I N 3.045 123.453 120.570 -0.270 0.000 2.465 23 I HA 0.368 4.538 4.170 0.000 0.000 0.291 23 I C 0.395 176.414 176.117 -0.163 0.000 1.014 23 I CA -0.682 60.464 61.300 -0.256 0.000 1.093 23 I CB 1.478 39.321 38.000 -0.263 0.000 1.267 23 I HN 0.463 nan 8.210 nan 0.000 0.431 24 N N 4.369 122.988 118.700 -0.135 0.000 3.283 24 N HA 0.470 5.210 4.740 0.000 0.000 0.338 24 N C 0.483 175.957 175.510 -0.059 0.000 1.517 24 N CA -0.412 52.589 53.050 -0.081 0.000 0.733 24 N CB 0.536 38.985 38.487 -0.063 0.000 1.797 24 N HN 0.384 nan 8.380 nan 0.000 0.637 25 A N -0.570 122.227 122.820 -0.038 0.000 2.067 25 A HA 0.113 4.434 4.320 0.000 0.000 0.219 25 A C 1.839 179.411 177.584 -0.020 0.000 1.158 25 A CA 0.899 52.921 52.037 -0.026 0.000 0.661 25 A CB -0.965 18.022 19.000 -0.022 0.000 0.801 25 A HN 0.538 nan 8.150 nan 0.000 0.452 26 L N -1.194 120.016 121.223 -0.023 0.000 2.446 26 L HA 0.003 4.343 4.340 0.000 0.000 0.219 26 L C 2.540 179.438 176.870 0.046 0.000 1.116 26 L CA 0.551 55.393 54.840 0.003 0.000 0.844 26 L CB -0.273 41.767 42.059 -0.031 0.000 0.970 26 L HN 0.216 nan 8.230 nan 0.000 0.457 27 S N 0.653 116.351 115.700 -0.003 0.000 2.359 27 S HA -0.190 4.280 4.470 0.000 0.000 0.223 27 S C 1.773 176.411 174.600 0.063 0.000 1.039 27 S CA 1.693 59.882 58.200 -0.019 0.000 1.042 27 S CB -0.314 62.784 63.200 -0.170 0.000 0.915 27 S HN 0.473 nan 8.310 nan 0.000 0.439 28 N N 1.403 120.155 118.700 0.088 0.000 2.223 28 N HA -0.063 4.677 4.740 0.000 0.000 0.185 28 N C 1.921 177.459 175.510 0.046 0.000 1.016 28 N CA 1.316 54.436 53.050 0.116 0.000 0.863 28 N CB -0.555 37.987 38.487 0.092 0.000 0.983 28 N HN 0.581 nan 8.380 nan 0.000 0.429 29 S N 0.051 115.769 115.700 0.031 0.000 2.442 29 S HA -0.094 4.376 4.470 0.000 0.000 0.236 29 S C 1.842 176.455 174.600 0.022 0.000 1.007 29 S CA 0.599 58.790 58.200 -0.015 0.000 0.965 29 S CB -0.231 62.976 63.200 0.012 0.000 0.773 29 S HN 0.209 nan 8.310 nan 0.000 0.504 30 L N -0.107 121.162 121.223 0.077 0.000 2.286 30 L HA 0.587 4.927 4.340 0.000 0.000 0.203 30 L C 0.203 177.147 176.870 0.122 0.000 1.068 30 L CA 0.941 55.842 54.840 0.102 0.000 0.811 30 L CB 0.120 42.057 42.059 -0.204 0.000 0.989 30 L HN 0.505 nan 8.230 nan 0.000 0.467 31 L N -1.023 120.253 121.223 0.088 0.000 2.676 31 L HA 0.312 4.652 4.340 0.000 0.000 0.262 31 L C 0.406 177.322 176.870 0.076 0.000 0.932 31 L CA -0.302 54.583 54.840 0.075 0.000 0.932 31 L CB 1.318 43.450 42.059 0.120 0.000 1.355 31 L HN -0.028 nan 8.230 nan 0.000 0.421 32 R N 1.248 121.653 120.500 -0.158 0.000 2.112 32 R HA 0.133 4.473 4.340 0.000 0.000 0.216 32 R C -0.009 175.988 176.300 -0.505 0.000 1.080 32 R CA 0.478 56.373 56.100 -0.342 0.000 0.996 32 R CB 0.048 30.150 30.300 -0.329 0.000 0.902 32 R HN 0.623 nan 8.270 nan 0.000 0.449 33 H N 0.691 119.652 119.070 -0.183 0.000 2.998 33 H HA 0.081 4.637 4.556 0.000 0.000 0.241 33 H C 0.445 175.769 175.328 -0.008 0.000 1.852 33 H CA -0.330 55.643 56.048 -0.125 0.000 1.419 33 H CB -0.031 29.714 29.762 -0.028 0.000 1.793 33 H HN 0.359 nan 8.280 nan 0.000 0.553 34 H N 0.882 120.045 119.070 0.155 0.000 2.389 34 H HA -0.155 4.401 4.556 0.000 0.000 0.299 34 H C 1.987 177.394 175.328 0.132 0.000 1.081 34 H CA 0.929 57.046 56.048 0.115 0.000 1.345 34 H CB 0.311 30.116 29.762 0.070 0.000 1.393 34 H HN 0.611 nan 8.280 nan 0.000 0.520 35 N N 1.028 119.858 118.700 0.218 0.000 2.573 35 N HA -0.119 4.621 4.740 0.000 0.000 0.187 35 N C 1.292 176.908 175.510 0.176 0.000 1.107 35 N CA 0.732 53.884 53.050 0.171 0.000 0.918 35 N CB -0.158 38.392 38.487 0.107 0.000 0.966 35 N HN 0.305 nan 8.380 nan 0.000 0.448 36 M N 0.259 119.973 119.600 0.190 0.000 2.476 36 M HA 0.115 4.595 4.480 0.000 0.000 0.262 36 M C 0.062 176.532 176.300 0.283 0.000 1.079 36 M CA 0.280 55.700 55.300 0.201 0.000 1.104 36 M CB -0.223 32.485 32.600 0.180 0.000 1.409 36 M HN -0.088 nan 8.290 nan 0.000 0.467 37 V N 1.291 121.385 119.914 0.299 0.000 2.427 37 V HA 0.351 4.471 4.120 0.000 0.000 0.286 37 V C -0.659 175.693 176.094 0.429 0.000 1.034 37 V CA -0.825 61.667 62.300 0.319 0.000 0.893 37 V CB 0.953 32.943 31.823 0.279 0.000 0.982 37 V HN 0.384 nan 8.190 nan 0.000 0.452 38 Y N 2.508 122.963 120.300 0.258 0.000 2.588 38 Y HA 0.923 5.473 4.550 0.000 0.000 0.343 38 Y C -0.442 175.535 175.900 0.127 0.000 1.065 38 Y CA -1.456 56.802 58.100 0.263 0.000 1.038 38 Y CB 1.522 40.096 38.460 0.190 0.000 1.297 38 Y HN 0.713 nan 8.280 nan 0.000 0.467 39 A N 1.403 124.254 122.820 0.052 0.000 2.340 39 A HA 0.685 5.005 4.320 0.000 0.000 0.331 39 A C -0.068 177.570 177.584 0.091 0.000 1.140 39 A CA -0.382 51.481 52.037 -0.290 0.000 0.801 39 A CB 0.484 19.045 19.000 -0.732 0.000 1.234 39 A HN 1.111 nan 8.150 nan 0.000 0.469 40 T N -0.015 114.581 114.554 0.070 0.000 2.926 40 T HA 0.509 4.859 4.350 0.000 0.000 0.307 40 T C 0.418 175.170 174.700 0.086 0.000 1.059 40 T CA 0.423 62.629 62.100 0.176 0.000 1.122 40 T CB 0.554 69.535 68.868 0.189 0.000 0.972 40 T HN 1.378 nan 8.240 nan 0.000 0.545 41 T N -1.709 112.904 114.554 0.098 0.000 2.907 41 T HA 0.481 4.831 4.350 0.000 0.000 0.290 41 T C 1.495 176.225 174.700 0.050 0.000 1.066 41 T CA -0.262 61.878 62.100 0.067 0.000 1.012 41 T CB 1.406 70.320 68.868 0.076 0.000 1.184 41 T HN 0.803 nan 8.240 nan 0.000 0.522 42 S N 0.349 116.072 115.700 0.038 0.000 2.440 42 S HA -0.163 4.307 4.470 0.000 0.000 0.240 42 S C 1.799 176.402 174.600 0.006 0.000 1.014 42 S CA 0.658 58.870 58.200 0.020 0.000 0.980 42 S CB -0.591 62.621 63.200 0.020 0.000 0.775 42 S HN 0.683 nan 8.310 nan 0.000 0.499 43 R N 1.749 122.259 120.500 0.017 0.000 2.280 43 R HA 0.128 4.468 4.340 0.000 0.000 0.207 43 R C 2.143 178.441 176.300 -0.003 0.000 1.043 43 R CA 0.985 57.089 56.100 0.006 0.000 1.006 43 R CB -0.428 29.883 30.300 0.018 0.000 0.885 43 R HN 0.720 nan 8.270 nan 0.000 0.467 44 S N -1.931 113.772 115.700 0.005 0.000 2.554 44 S HA 0.287 4.757 4.470 0.000 0.000 0.226 44 S C 1.664 176.249 174.600 -0.026 0.000 0.980 44 S CA 0.082 58.280 58.200 -0.003 0.000 0.939 44 S CB 0.794 64.010 63.200 0.025 0.000 0.832 44 S HN 0.195 nan 8.310 nan 0.000 0.486 45 A N 1.953 124.746 122.820 -0.045 0.000 1.972 45 A HA 0.229 4.549 4.320 0.000 0.000 0.219 45 A C 2.239 179.728 177.584 -0.158 0.000 1.169 45 A CA 1.402 53.387 52.037 -0.087 0.000 0.635 45 A CB -1.595 17.348 19.000 -0.095 0.000 0.810 45 A HN 0.666 nan 8.150 nan 0.000 0.446 46 G N 0.056 108.762 108.800 -0.157 0.000 2.442 46 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 46 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 46 G C 1.491 176.302 174.900 -0.148 0.000 1.141 46 G CA 1.090 46.073 45.100 -0.195 0.000 0.763 46 G HN 0.465 nan 8.290 nan 0.000 0.554 47 L N -0.411 120.759 121.223 -0.088 0.000 2.093 47 L HA 0.017 4.357 4.340 0.000 0.000 0.208 47 L C 2.871 179.718 176.870 -0.038 0.000 1.085 47 L CA 1.200 56.010 54.840 -0.051 0.000 0.755 47 L CB -0.410 41.633 42.059 -0.028 0.000 0.904 47 L HN 0.155 nan 8.230 nan 0.000 0.435 48 R N 0.632 121.105 120.500 -0.046 0.000 2.066 48 R HA -0.137 4.203 4.340 0.000 0.000 0.232 48 R C 2.279 178.563 176.300 -0.026 0.000 1.131 48 R CA 1.509 57.601 56.100 -0.013 0.000 0.955 48 R CB -0.453 29.844 30.300 -0.005 0.000 0.851 48 R HN 0.294 nan 8.270 nan 0.000 0.432 49 Q N 0.276 119.977 119.800 -0.165 0.000 2.062 49 Q HA -0.264 4.076 4.340 0.000 0.000 0.209 49 Q C 2.046 178.024 176.000 -0.036 0.000 0.996 49 Q CA 2.289 57.916 55.803 -0.294 0.000 0.859 49 Q CB -0.229 27.998 28.738 -0.851 0.000 0.920 49 Q HN 0.283 nan 8.270 nan 0.000 0.415 50 K N 0.828 121.195 120.400 -0.054 0.000 2.034 50 K HA -0.256 4.064 4.320 0.000 0.000 0.214 50 K C 2.032 178.730 176.600 0.162 0.000 1.051 50 K CA 2.008 58.329 56.287 0.058 0.000 0.931 50 K CB -0.111 32.399 32.500 0.016 0.000 0.715 50 K HN 0.151 nan 8.250 nan 0.000 0.446 51 K N 0.399 120.887 120.400 0.148 0.000 2.365 51 K HA -0.024 4.296 4.320 0.000 0.000 0.197 51 K C 1.486 178.301 176.600 0.358 0.000 1.042 51 K CA 1.024 57.433 56.287 0.203 0.000 0.987 51 K CB 0.285 32.859 32.500 0.124 0.000 0.779 51 K HN 0.128 nan 8.250 nan 0.000 0.484 52 V N -1.298 118.827 119.914 0.351 0.000 3.649 52 V HA 0.152 4.272 4.120 0.000 0.000 0.275 52 V C 0.070 176.373 176.094 0.347 0.000 1.281 52 V CA -0.108 62.447 62.300 0.424 0.000 1.143 52 V CB -0.251 31.791 31.823 0.365 0.000 0.892 52 V HN 0.122 nan 8.190 nan 0.000 0.441 53 T N 4.409 119.212 114.554 0.415 0.000 2.853 53 T HA 0.716 5.066 4.350 0.000 0.000 0.317 53 T C -0.746 174.142 174.700 0.313 0.000 1.059 53 T CA -0.074 62.230 62.100 0.338 0.000 0.954 53 T CB -0.036 69.154 68.868 0.536 0.000 0.994 53 T HN 0.599 nan 8.240 nan 0.000 0.479 54 F N -0.413 119.625 119.950 0.147 0.000 2.711 54 F HA 0.715 5.243 4.527 0.000 0.000 0.313 54 F C -0.887 174.938 175.800 0.041 0.000 1.141 54 F CA -1.718 56.333 58.000 0.085 0.000 0.941 54 F CB 0.796 39.839 39.000 0.072 0.000 1.349 54 F HN 0.130 nan 8.300 nan 0.000 0.464 55 D N 0.760 121.307 120.400 0.245 0.000 2.304 55 D HA 0.437 5.077 4.640 0.000 0.000 0.250 55 D C -0.875 175.537 176.300 0.185 0.000 1.107 55 D CA -0.040 54.034 54.000 0.124 0.000 0.885 55 D CB 0.882 41.736 40.800 0.091 0.000 1.192 55 D HN 0.536 nan 8.370 nan 0.000 0.436 56 R N 2.347 122.894 120.500 0.079 0.000 2.393 56 R HA 0.607 4.947 4.340 0.000 0.000 0.310 56 R C -0.765 175.557 176.300 0.037 0.000 0.968 56 R CA -0.515 55.636 56.100 0.086 0.000 0.867 56 R CB 1.158 31.477 30.300 0.031 0.000 1.124 56 R HN 0.388 nan 8.270 nan 0.000 0.450 57 L N 1.838 123.084 121.223 0.039 0.000 2.342 57 L HA 0.569 4.910 4.340 0.000 0.000 0.271 57 L C -0.470 176.399 176.870 -0.001 0.000 1.008 57 L CA -0.791 54.055 54.840 0.010 0.000 0.818 57 L CB 2.127 44.192 42.059 0.009 0.000 1.296 57 L HN 0.478 nan 8.230 nan 0.000 0.427 58 Q N 1.640 121.428 119.800 -0.020 0.000 2.271 58 Q HA 0.558 4.898 4.340 0.000 0.000 0.268 58 Q C -1.942 174.032 176.000 -0.044 0.000 1.021 58 Q CA -0.465 55.319 55.803 -0.033 0.000 0.802 58 Q CB 2.902 31.602 28.738 -0.062 0.000 1.282 58 Q HN 0.424 nan 8.270 nan 0.000 0.431 59 V N 5.606 125.503 119.914 -0.028 0.000 2.376 59 V HA 0.453 4.573 4.120 0.000 0.000 0.287 59 V C -0.687 175.408 176.094 0.003 0.000 1.015 59 V CA -0.526 61.757 62.300 -0.027 0.000 0.834 59 V CB 1.416 33.222 31.823 -0.029 0.000 1.001 59 V HN 0.704 nan 8.190 nan 0.000 0.428 60 L N 5.696 126.881 121.223 -0.063 0.000 2.322 60 L HA 0.683 5.023 4.340 0.000 0.000 0.281 60 L C -0.294 176.589 176.870 0.023 0.000 1.014 60 L CA -0.533 54.231 54.840 -0.125 0.000 0.815 60 L CB 1.789 43.586 42.059 -0.437 0.000 1.247 60 L HN 0.695 nan 8.230 nan 0.000 0.421 61 D N 0.234 120.726 120.400 0.154 0.000 2.650 61 D HA 0.160 4.800 4.640 0.000 0.000 0.255 61 D C 0.188 176.559 176.300 0.118 0.000 1.135 61 D CA -0.608 53.465 54.000 0.123 0.000 1.099 61 D CB 0.883 41.761 40.800 0.130 0.000 1.273 61 D HN 0.347 nan 8.370 nan 0.000 0.628 62 D N -1.079 119.325 120.400 0.007 0.000 2.117 62 D HA -0.159 4.481 4.640 0.000 0.000 0.197 62 D C 1.724 178.020 176.300 -0.007 0.000 0.987 62 D CA 1.140 55.116 54.000 -0.040 0.000 0.829 62 D CB -0.045 40.677 40.800 -0.130 0.000 0.961 62 D HN 0.410 nan 8.370 nan 0.000 0.460 63 H N -0.105 119.031 119.070 0.109 0.000 2.352 63 H HA -0.168 4.388 4.556 0.000 0.000 0.299 63 H C 2.038 177.401 175.328 0.058 0.000 1.097 63 H CA 0.973 57.075 56.048 0.091 0.000 1.311 63 H CB -0.769 29.069 29.762 0.127 0.000 1.377 63 H HN 0.323 nan 8.280 nan 0.000 0.504 64 Y N 1.998 122.343 120.300 0.074 0.000 2.053 64 Y HA -0.284 4.266 4.550 0.000 0.000 0.277 64 Y C 2.732 178.585 175.900 -0.078 0.000 1.159 64 Y CA 1.904 59.924 58.100 -0.133 0.000 1.125 64 Y CB -0.163 38.144 38.460 -0.255 0.000 0.969 64 Y HN -0.025 nan 8.280 nan 0.000 0.492 65 R N -0.083 120.445 120.500 0.047 0.000 2.092 65 R HA -0.140 4.200 4.340 0.000 0.000 0.231 65 R C 1.800 178.058 176.300 -0.070 0.000 1.119 65 R CA 1.362 57.445 56.100 -0.028 0.000 0.970 65 R CB -0.353 29.986 30.300 0.065 0.000 0.864 65 R HN 0.409 nan 8.270 nan 0.000 0.440 66 D N 0.234 120.621 120.400 -0.021 0.000 2.087 66 D HA -0.140 4.500 4.640 0.000 0.000 0.192 66 D C 1.999 178.278 176.300 -0.035 0.000 0.993 66 D CA 1.195 55.191 54.000 -0.007 0.000 0.828 66 D CB -0.404 40.424 40.800 0.048 0.000 0.968 66 D HN -0.043 nan 8.370 nan 0.000 0.448 67 V N 1.085 120.965 119.914 -0.056 0.000 2.332 67 V HA -0.234 3.886 4.120 0.000 0.000 0.248 67 V C 2.487 178.515 176.094 -0.111 0.000 1.055 67 V CA 1.224 63.480 62.300 -0.073 0.000 1.038 67 V CB -0.551 31.210 31.823 -0.103 0.000 0.651 67 V HN 0.145 nan 8.190 nan 0.000 0.450 68 L N 0.418 121.501 121.223 -0.233 0.000 2.012 68 L HA -0.208 4.132 4.340 0.000 0.000 0.210 68 L C 2.427 179.225 176.870 -0.120 0.000 1.073 68 L CA 2.183 56.884 54.840 -0.233 0.000 0.748 68 L CB -0.921 40.923 42.059 -0.357 0.000 0.891 68 L HN 0.255 nan 8.230 nan 0.000 0.431 69 K N -0.343 120.003 120.400 -0.090 0.000 2.032 69 K HA -0.244 4.076 4.320 0.000 0.000 0.209 69 K C 1.931 178.510 176.600 -0.035 0.000 1.048 69 K CA 2.162 58.419 56.287 -0.050 0.000 0.927 69 K CB -0.161 32.320 32.500 -0.033 0.000 0.712 69 K HN 0.554 nan 8.250 nan 0.000 0.441 70 E N 0.213 120.399 120.200 -0.024 0.000 2.085 70 E HA -0.218 4.132 4.350 0.000 0.000 0.194 70 E C 2.145 178.738 176.600 -0.011 0.000 0.994 70 E CA 1.716 58.113 56.400 -0.005 0.000 0.801 70 E CB -0.149 29.562 29.700 0.017 0.000 0.743 70 E HN 0.348 nan 8.360 nan 0.000 0.453 71 M N 0.582 120.171 119.600 -0.019 0.000 2.117 71 M HA -0.172 4.308 4.480 0.000 0.000 0.262 71 M C 2.139 178.407 176.300 -0.054 0.000 1.065 71 M CA 1.485 56.763 55.300 -0.037 0.000 1.114 71 M CB -0.091 32.485 32.600 -0.041 0.000 1.361 71 M HN -0.048 nan 8.290 nan 0.000 0.408 72 K N 0.155 120.523 120.400 -0.053 0.000 2.097 72 K HA -0.041 4.279 4.320 0.000 0.000 0.205 72 K C 2.127 178.707 176.600 -0.033 0.000 1.050 72 K CA 1.250 57.509 56.287 -0.046 0.000 0.938 72 K CB -0.250 32.223 32.500 -0.046 0.000 0.718 72 K HN 0.285 nan 8.250 nan 0.000 0.442 73 A N 2.129 124.932 122.820 -0.027 0.000 1.908 73 A HA -0.232 4.088 4.320 0.000 0.000 0.218 73 A C 1.884 179.455 177.584 -0.022 0.000 1.181 73 A CA 1.681 53.707 52.037 -0.020 0.000 0.627 73 A CB -0.308 18.683 19.000 -0.014 0.000 0.818 73 A HN 0.209 nan 8.150 nan 0.000 0.445 74 K N -0.536 119.845 120.400 -0.030 0.000 2.103 74 K HA 0.055 4.375 4.320 0.000 0.000 0.204 74 K C 2.276 178.850 176.600 -0.045 0.000 1.052 74 K CA 0.894 57.158 56.287 -0.039 0.000 0.945 74 K CB -0.279 32.190 32.500 -0.052 0.000 0.722 74 K HN 0.434 nan 8.250 nan 0.000 0.443 75 A N 1.728 124.521 122.820 -0.045 0.000 1.972 75 A HA -0.162 4.158 4.320 0.000 0.000 0.219 75 A C 2.141 179.714 177.584 -0.019 0.000 1.169 75 A CA 2.008 54.023 52.037 -0.036 0.000 0.635 75 A CB -0.591 18.390 19.000 -0.031 0.000 0.810 75 A HN 0.382 nan 8.150 nan 0.000 0.446 76 S N -0.304 115.386 115.700 -0.017 0.000 2.547 76 S HA -0.101 4.369 4.470 0.000 0.000 0.235 76 S C 1.594 176.189 174.600 -0.009 0.000 0.980 76 S CA 1.583 59.778 58.200 -0.008 0.000 0.941 76 S CB -1.048 62.148 63.200 -0.008 0.000 0.763 76 S HN 0.786 nan 8.310 nan 0.000 0.532 77 T N -0.837 113.708 114.554 -0.015 0.000 3.100 77 T HA 0.289 4.639 4.350 0.000 0.000 0.253 77 T C 0.408 175.098 174.700 -0.016 0.000 1.118 77 T CA -0.187 61.904 62.100 -0.015 0.000 1.058 77 T CB -0.383 68.474 68.868 -0.019 0.000 0.953 77 T HN 0.172 nan 8.240 nan 0.000 0.515 78 V N 2.037 121.940 119.914 -0.018 0.000 2.498 78 V HA 0.399 4.519 4.120 0.000 0.000 0.279 78 V C 0.105 176.195 176.094 -0.007 0.000 1.048 78 V CA -0.897 61.391 62.300 -0.019 0.000 0.967 78 V CB 1.197 33.003 31.823 -0.028 0.000 0.988 78 V HN 0.380 nan 8.190 nan 0.000 0.473 79 K N 3.740 124.137 120.400 -0.006 0.000 2.307 79 K HA 0.759 5.079 4.320 0.000 0.000 0.263 79 K C -0.600 176.001 176.600 0.003 0.000 0.973 79 K CA -0.373 55.916 56.287 0.002 0.000 0.846 79 K CB 1.431 33.933 32.500 0.004 0.000 1.100 79 K HN 0.846 nan 8.250 nan 0.000 0.438 80 A N 3.613 126.439 122.820 0.010 0.000 2.380 80 A HA 0.623 4.943 4.320 0.000 0.000 0.315 80 A C -1.415 176.184 177.584 0.026 0.000 1.101 80 A CA -0.940 51.104 52.037 0.012 0.000 0.771 80 A CB 1.147 20.149 19.000 0.003 0.000 1.287 80 A HN 0.768 nan 8.150 nan 0.000 0.436 81 K N 0.945 121.363 120.400 0.031 0.000 2.221 81 K HA 0.763 5.084 4.320 0.000 0.000 0.243 81 K C -1.032 175.594 176.600 0.044 0.000 0.968 81 K CA -0.553 55.755 56.287 0.035 0.000 0.846 81 K CB 0.858 33.373 32.500 0.026 0.000 1.141 81 K HN 0.442 nan 8.250 nan 0.000 0.434 82 L N 1.943 123.188 121.223 0.036 0.000 2.426 82 L HA 0.167 4.508 4.340 0.000 0.000 0.271 82 L C -0.350 176.501 176.870 -0.032 0.000 1.169 82 L CA -0.837 54.009 54.840 0.010 0.000 0.836 82 L CB 0.270 42.327 42.059 -0.005 0.000 1.112 82 L HN 0.456 nan 8.230 nan 0.000 0.465 83 L N 2.395 123.580 121.223 -0.063 0.000 2.350 83 L HA 0.222 4.562 4.340 0.000 0.000 0.275 83 L C 0.553 177.310 176.870 -0.188 0.000 1.099 83 L CA 0.358 55.138 54.840 -0.101 0.000 0.808 83 L CB 1.534 43.532 42.059 -0.101 0.000 1.149 83 L HN 0.724 nan 8.230 nan 0.000 0.442 84 S N 1.585 117.188 115.700 -0.161 0.000 2.584 84 S HA 0.174 4.644 4.470 0.000 0.000 0.270 84 S C 1.406 175.867 174.600 -0.232 0.000 1.346 84 S CA -0.694 57.394 58.200 -0.186 0.000 1.018 84 S CB 0.760 63.889 63.200 -0.119 0.000 0.899 84 S HN 0.352 nan 8.310 nan 0.000 0.542 85 V N 2.250 121.999 119.914 -0.275 0.000 2.278 85 V HA -0.239 3.881 4.120 0.000 0.000 0.251 85 V C 2.853 178.823 176.094 -0.207 0.000 1.062 85 V CA 2.405 64.520 62.300 -0.308 0.000 1.038 85 V CB -1.168 30.403 31.823 -0.419 0.000 0.646 85 V HN 0.978 nan 8.190 nan 0.000 0.447 86 E N 0.229 120.339 120.200 -0.151 0.000 2.077 86 E HA -0.277 4.073 4.350 0.000 0.000 0.193 86 E C 2.009 178.536 176.600 -0.121 0.000 0.989 86 E CA 1.508 57.839 56.400 -0.115 0.000 0.800 86 E CB -0.525 29.127 29.700 -0.080 0.000 0.746 86 E HN 0.715 nan 8.360 nan 0.000 0.452 87 E N 1.051 121.173 120.200 -0.130 0.000 2.085 87 E HA -0.145 4.205 4.350 0.000 0.000 0.194 87 E C 2.082 178.568 176.600 -0.191 0.000 0.994 87 E CA 1.364 57.679 56.400 -0.142 0.000 0.801 87 E CB -0.128 29.494 29.700 -0.130 0.000 0.743 87 E HN 0.362 nan 8.360 nan 0.000 0.453 88 A N 0.326 123.025 122.820 -0.200 0.000 1.929 88 A HA -0.155 4.165 4.320 0.000 0.000 0.216 88 A C 2.385 179.859 177.584 -0.183 0.000 1.176 88 A CA 0.952 52.858 52.037 -0.217 0.000 0.628 88 A CB -0.693 18.191 19.000 -0.194 0.000 0.816 88 A HN 0.371 nan 8.150 nan 0.000 0.444 89 C N 0.026 119.234 119.300 -0.153 0.000 2.413 89 C HA -0.074 4.386 4.460 0.000 0.000 0.276 89 C C 2.458 177.379 174.990 -0.115 0.000 1.248 89 C CA 1.281 60.226 59.018 -0.121 0.000 1.742 89 C CB -0.718 26.956 27.740 -0.110 0.000 2.017 89 C HN 0.477 nan 8.230 nan 0.000 0.481 90 K N 0.896 121.227 120.400 -0.116 0.000 2.439 90 K HA 0.115 4.435 4.320 0.000 0.000 0.197 90 K C 1.374 177.923 176.600 -0.084 0.000 1.041 90 K CA 0.721 56.959 56.287 -0.083 0.000 0.970 90 K CB -0.425 32.034 32.500 -0.069 0.000 0.773 90 K HN 0.540 nan 8.250 nan 0.000 0.479 91 L N 0.866 121.988 121.223 -0.167 0.000 2.591 91 L HA 0.041 4.382 4.340 0.000 0.000 0.228 91 L C 0.274 177.034 176.870 -0.183 0.000 1.133 91 L CA 0.117 54.820 54.840 -0.229 0.000 0.880 91 L CB -0.124 41.683 42.059 -0.419 0.000 1.033 91 L HN -0.119 nan 8.230 nan 0.000 0.450 92 T N 1.841 116.302 114.554 -0.154 0.000 2.794 92 T HA 0.222 4.572 4.350 0.000 0.000 0.296 92 T C -2.309 172.208 174.700 -0.305 0.000 0.949 92 T CA -1.136 60.851 62.100 -0.188 0.000 1.101 92 T CB 1.053 69.834 68.868 -0.146 0.000 0.905 92 T HN -0.144 nan 8.240 nan 0.000 0.516 93 P HA 0.127 nan 4.420 nan 0.000 0.266 93 P C -1.920 174.907 177.300 -0.789 0.000 1.195 93 P CA -1.314 61.297 63.100 -0.813 0.000 0.768 93 P CB 0.196 31.345 31.700 -0.918 0.000 0.838 94 P HA -0.158 nan 4.420 nan 0.000 0.222 94 P C 0.857 177.976 177.300 -0.302 0.000 1.147 94 P CA 1.505 64.329 63.100 -0.459 0.000 0.790 94 P CB -0.405 31.075 31.700 -0.366 0.000 0.780 95 H N -3.439 115.505 119.070 -0.209 0.000 2.529 95 H HA 0.306 4.862 4.556 0.000 0.000 0.277 95 H C 0.469 175.721 175.328 -0.127 0.000 1.004 95 H CA -0.231 55.736 56.048 -0.136 0.000 1.167 95 H CB -0.149 29.544 29.762 -0.114 0.000 1.445 95 H HN -0.077 nan 8.280 nan 0.000 0.554 96 S N 0.930 116.456 115.700 -0.290 0.000 2.569 96 S HA 0.345 4.815 4.470 0.000 0.000 0.274 96 S C 0.571 175.111 174.600 -0.102 0.000 1.353 96 S CA -0.127 57.960 58.200 -0.190 0.000 1.023 96 S CB 0.255 63.324 63.200 -0.217 0.000 0.876 96 S HN 0.654 nan 8.310 nan 0.000 0.540 97 A N 3.829 126.585 122.820 -0.106 0.000 2.477 97 A HA 0.329 4.649 4.320 0.000 0.000 0.246 97 A C 0.469 178.043 177.584 -0.017 0.000 1.078 97 A CA -0.402 51.605 52.037 -0.050 0.000 0.770 97 A CB -0.073 18.895 19.000 -0.053 0.000 1.011 97 A HN 0.850 nan 8.150 nan 0.000 0.494 98 K N 1.894 122.279 120.400 -0.024 0.000 2.219 98 K HA 0.359 4.679 4.320 0.000 0.000 0.258 98 K C 0.285 176.814 176.600 -0.119 0.000 1.008 98 K CA -0.147 56.094 56.287 -0.076 0.000 0.928 98 K CB 0.508 32.964 32.500 -0.074 0.000 0.983 98 K HN 0.423 nan 8.250 nan 0.000 0.484 99 S N 0.224 115.741 115.700 -0.305 0.000 2.576 99 S HA 0.053 4.523 4.470 0.000 0.000 0.276 99 S C 0.571 175.004 174.600 -0.279 0.000 1.339 99 S CA -0.526 57.459 58.200 -0.358 0.000 1.039 99 S CB 0.534 63.154 63.200 -0.967 0.000 0.902 99 S HN 0.662 nan 8.310 nan 0.000 0.516 100 K N 2.503 122.752 120.400 -0.251 0.000 2.504 100 K HA 0.015 4.335 4.320 0.000 0.000 0.195 100 K C -0.129 176.073 176.600 -0.664 0.000 1.036 100 K CA 0.894 56.907 56.287 -0.456 0.000 0.984 100 K CB -0.083 32.071 32.500 -0.577 0.000 0.788 100 K HN 0.596 nan 8.250 nan 0.000 0.488 101 F N 0.256 120.022 119.950 -0.308 0.000 2.750 101 F HA 0.256 4.783 4.527 0.000 0.000 0.297 101 F C 1.052 176.745 175.800 -0.178 0.000 1.138 101 F CA -0.416 57.406 58.000 -0.297 0.000 1.346 101 F CB 0.855 39.500 39.000 -0.592 0.000 0.965 101 F HN 0.064 nan 8.300 nan 0.000 0.514 102 G N 0.594 109.342 108.800 -0.088 0.000 2.149 102 G HA2 -0.296 3.664 3.960 0.000 0.000 0.235 102 G HA3 -0.296 3.664 3.960 0.000 0.000 0.235 102 G C -0.369 174.602 174.900 0.119 0.000 1.018 102 G CA 0.218 45.325 45.100 0.011 0.000 0.728 102 G HN 0.565 nan 8.290 nan 0.000 0.508 103 Y N -2.383 117.918 120.300 0.003 0.000 2.597 103 Y HA 0.795 5.346 4.550 0.000 0.000 0.340 103 Y C 0.425 176.331 175.900 0.011 0.000 1.097 103 Y CA -1.139 56.966 58.100 0.008 0.000 1.037 103 Y CB 0.720 39.190 38.460 0.016 0.000 1.305 103 Y HN 0.574 nan 8.280 nan 0.000 0.463 104 G N 0.034 108.912 108.800 0.131 0.000 3.016 104 G HA2 0.528 4.488 3.960 0.000 0.000 0.270 104 G HA3 0.528 4.488 3.960 0.000 0.000 0.270 104 G C 0.323 175.282 174.900 0.099 0.000 1.352 104 G CA -0.773 44.351 45.100 0.040 0.000 1.060 104 G HN 1.149 nan 8.290 nan 0.000 0.538 105 A N -0.414 122.412 122.820 0.011 0.000 1.908 105 A HA -0.031 4.289 4.320 0.000 0.000 0.218 105 A C 2.181 179.743 177.584 -0.037 0.000 1.181 105 A CA 2.010 54.029 52.037 -0.030 0.000 0.627 105 A CB -0.418 18.513 19.000 -0.116 0.000 0.818 105 A HN 0.582 nan 8.150 nan 0.000 0.445 106 K N -0.445 119.936 120.400 -0.032 0.000 2.148 106 K HA -0.110 4.210 4.320 0.000 0.000 0.204 106 K C 1.435 178.030 176.600 -0.010 0.000 1.050 106 K CA 1.249 57.514 56.287 -0.037 0.000 0.942 106 K CB -0.187 32.294 32.500 -0.033 0.000 0.724 106 K HN 0.423 nan 8.250 nan 0.000 0.446 107 D N 0.624 121.043 120.400 0.032 0.000 2.097 107 D HA -0.147 4.493 4.640 0.000 0.000 0.195 107 D C 1.996 178.299 176.300 0.005 0.000 0.989 107 D CA 0.992 55.016 54.000 0.038 0.000 0.827 107 D CB -0.422 40.445 40.800 0.112 0.000 0.966 107 D HN -0.078 nan 8.370 nan 0.000 0.456 108 V N 1.229 121.168 119.914 0.041 0.000 2.255 108 V HA -0.258 3.862 4.120 0.000 0.000 0.247 108 V C 2.567 178.633 176.094 -0.046 0.000 1.051 108 V CA 1.710 64.007 62.300 -0.004 0.000 1.018 108 V CB -0.372 31.482 31.823 0.051 0.000 0.641 108 V HN 0.150 nan 8.190 nan 0.000 0.445 109 R N 0.980 121.448 120.500 -0.053 0.000 2.081 109 R HA -0.137 4.203 4.340 0.000 0.000 0.235 109 R C 1.854 178.123 176.300 -0.052 0.000 1.131 109 R CA 1.765 57.823 56.100 -0.069 0.000 0.960 109 R CB -0.571 29.671 30.300 -0.097 0.000 0.856 109 R HN 0.819 nan 8.270 nan 0.000 0.436 110 N N 1.317 119.993 118.700 -0.042 0.000 2.370 110 N HA -0.024 4.716 4.740 0.000 0.000 0.198 110 N C -0.050 175.437 175.510 -0.037 0.000 1.156 110 N CA 0.097 53.127 53.050 -0.033 0.000 0.839 110 N CB 0.192 38.665 38.487 -0.024 0.000 0.989 110 N HN 0.133 nan 8.380 nan 0.000 0.468 111 L N 0.831 122.024 121.223 -0.050 0.000 3.717 111 L HA -0.229 4.111 4.340 0.000 0.000 0.411 111 L C 0.347 177.181 176.870 -0.059 0.000 1.233 111 L CA 0.237 55.041 54.840 -0.061 0.000 0.917 111 L CB -2.737 39.290 42.059 -0.052 0.000 1.902 111 L HN 0.409 nan 8.230 nan 0.000 0.894 112 S N -0.887 114.777 115.700 -0.061 0.000 2.563 112 S HA 0.204 4.674 4.470 0.000 0.000 0.284 112 S C 1.502 176.055 174.600 -0.078 0.000 1.331 112 S CA 0.023 58.189 58.200 -0.056 0.000 1.047 112 S CB 1.624 64.798 63.200 -0.043 0.000 0.859 112 S HN 0.550 nan 8.310 nan 0.000 0.514 113 S N 2.252 117.920 115.700 -0.053 0.000 2.402 113 S HA -0.099 4.371 4.470 0.000 0.000 0.229 113 S C 1.740 176.301 174.600 -0.065 0.000 1.021 113 S CA 0.624 58.797 58.200 -0.046 0.000 0.974 113 S CB -0.463 62.723 63.200 -0.025 0.000 0.800 113 S HN 0.731 nan 8.310 nan 0.000 0.484 114 K N 1.878 122.232 120.400 -0.077 0.000 2.032 114 K HA -0.042 4.278 4.320 0.000 0.000 0.209 114 K C 2.368 178.798 176.600 -0.284 0.000 1.048 114 K CA 1.548 57.778 56.287 -0.095 0.000 0.927 114 K CB -0.926 31.553 32.500 -0.036 0.000 0.712 114 K HN 0.474 nan 8.250 nan 0.000 0.441 115 A N 0.702 123.239 122.820 -0.471 0.000 1.845 115 A HA -0.132 4.188 4.320 0.000 0.000 0.215 115 A C 2.419 179.714 177.584 -0.482 0.000 1.195 115 A CA 1.935 53.410 52.037 -0.936 0.000 0.616 115 A CB -0.902 17.745 19.000 -0.590 0.000 0.832 115 A HN 0.135 nan 8.150 nan 0.000 0.443 116 V N 0.789 120.555 119.914 -0.247 0.000 2.332 116 V HA -0.341 3.779 4.120 0.000 0.000 0.248 116 V C 2.223 178.319 176.094 0.003 0.000 1.055 116 V CA 2.441 64.664 62.300 -0.128 0.000 1.038 116 V CB -1.286 30.511 31.823 -0.043 0.000 0.651 116 V HN 0.652 nan 8.190 nan 0.000 0.450 117 N N -1.148 117.562 118.700 0.017 0.000 2.120 117 N HA -0.213 4.527 4.740 0.000 0.000 0.188 117 N C 1.997 177.547 175.510 0.066 0.000 1.024 117 N CA 1.283 54.378 53.050 0.075 0.000 0.852 117 N CB -0.262 38.248 38.487 0.037 0.000 1.003 117 N HN 0.600 nan 8.380 nan 0.000 0.424 118 H N 0.869 119.887 119.070 -0.087 0.000 2.357 118 H HA -0.065 4.491 4.556 0.000 0.000 0.301 118 H C 1.746 177.044 175.328 -0.049 0.000 1.082 118 H CA 1.078 57.092 56.048 -0.057 0.000 1.342 118 H CB 0.185 29.962 29.762 0.026 0.000 1.389 118 H HN 0.120 nan 8.280 nan 0.000 0.511 119 I N 1.196 121.678 120.570 -0.147 0.000 2.118 119 I HA -0.310 3.860 4.170 0.000 0.000 0.241 119 I C 2.473 178.484 176.117 -0.177 0.000 1.070 119 I CA 1.386 62.568 61.300 -0.197 0.000 1.327 119 I CB -1.659 36.190 38.000 -0.252 0.000 1.034 119 I HN 0.438 nan 8.210 nan 0.000 0.405 120 H N 0.004 119.029 119.070 -0.075 0.000 2.387 120 H HA -0.109 4.447 4.556 0.000 0.000 0.299 120 H C 2.513 177.849 175.328 0.013 0.000 1.090 120 H CA 1.827 57.865 56.048 -0.017 0.000 1.332 120 H CB -0.121 29.621 29.762 -0.034 0.000 1.386 120 H HN 0.325 nan 8.280 nan 0.000 0.516 121 S N 0.388 116.115 115.700 0.045 0.000 2.383 121 S HA -0.088 4.382 4.470 0.000 0.000 0.227 121 S C 2.368 176.901 174.600 -0.113 0.000 1.026 121 S CA 1.125 59.303 58.200 -0.037 0.000 0.981 121 S CB -0.431 62.724 63.200 -0.075 0.000 0.818 121 S HN 0.116 nan 8.310 nan 0.000 0.472 122 V N 1.055 120.836 119.914 -0.221 0.000 2.358 122 V HA -0.114 4.006 4.120 0.000 0.000 0.246 122 V C 2.107 178.190 176.094 -0.019 0.000 1.047 122 V CA 1.770 63.952 62.300 -0.196 0.000 1.035 122 V CB -0.931 30.731 31.823 -0.269 0.000 0.658 122 V HN 0.718 nan 8.190 nan 0.000 0.452 123 W N 1.525 122.743 121.300 -0.136 0.000 2.355 123 W HA -0.233 4.427 4.660 0.000 0.000 0.309 123 W C 2.537 179.023 176.519 -0.055 0.000 1.206 123 W CA 2.329 59.624 57.345 -0.084 0.000 1.284 123 W CB -0.086 29.333 29.460 -0.069 0.000 1.145 123 W HN 0.260 nan 8.180 nan 0.000 0.502 124 K N 0.679 121.138 120.400 0.099 0.000 2.057 124 K HA -0.259 4.061 4.320 0.000 0.000 0.207 124 K C 1.912 178.458 176.600 -0.090 0.000 1.049 124 K CA 2.077 58.366 56.287 0.003 0.000 0.931 124 K CB -0.933 31.602 32.500 0.058 0.000 0.714 124 K HN 0.012 nan 8.250 nan 0.000 0.440 125 D N 0.692 121.041 120.400 -0.084 0.000 2.178 125 D HA -0.161 4.479 4.640 0.000 0.000 0.201 125 D C 1.983 178.196 176.300 -0.145 0.000 0.980 125 D CA 0.809 54.749 54.000 -0.099 0.000 0.842 125 D CB 0.126 40.875 40.800 -0.086 0.000 0.948 125 D HN 0.317 nan 8.370 nan 0.000 0.472 126 L N 0.304 121.398 121.223 -0.214 0.000 2.093 126 L HA -0.118 4.222 4.340 0.000 0.000 0.208 126 L C 2.653 179.335 176.870 -0.314 0.000 1.085 126 L CA 0.476 55.145 54.840 -0.284 0.000 0.755 126 L CB -0.242 41.576 42.059 -0.402 0.000 0.904 126 L HN 0.106 nan 8.230 nan 0.000 0.435 127 L N -0.813 120.194 121.223 -0.360 0.000 2.217 127 L HA -0.145 4.195 4.340 0.000 0.000 0.211 127 L C 2.155 178.928 176.870 -0.163 0.000 1.107 127 L CA 1.086 55.755 54.840 -0.285 0.000 0.783 127 L CB -0.336 41.558 42.059 -0.275 0.000 0.919 127 L HN 0.309 nan 8.230 nan 0.000 0.442 128 E N -1.071 119.049 120.200 -0.133 0.000 2.276 128 E HA -0.032 4.318 4.350 0.000 0.000 0.193 128 E C 0.174 176.730 176.600 -0.074 0.000 0.983 128 E CA 0.146 56.495 56.400 -0.085 0.000 0.861 128 E CB 0.480 30.141 29.700 -0.065 0.000 0.817 128 E HN 0.168 nan 8.360 nan 0.000 0.485 129 D N 0.335 120.683 120.400 -0.087 0.000 2.620 129 D HA 0.053 4.693 4.640 0.000 0.000 0.252 129 D C -0.189 176.062 176.300 -0.081 0.000 1.207 129 D CA -0.302 53.657 54.000 -0.069 0.000 0.884 129 D CB 1.505 42.270 40.800 -0.059 0.000 1.262 129 D HN -0.039 nan 8.370 nan 0.000 0.552 130 T N 0.485 114.999 114.554 -0.066 0.000 3.228 130 T HA 0.241 4.591 4.350 0.000 0.000 0.278 130 T C 1.130 175.802 174.700 -0.047 0.000 1.014 130 T CA 0.356 62.416 62.100 -0.066 0.000 0.904 130 T CB -0.228 68.604 68.868 -0.060 0.000 1.110 130 T HN 0.206 nan 8.240 nan 0.000 0.541 131 V N -3.152 116.739 119.914 -0.039 0.000 3.251 131 V HA 0.365 4.486 4.120 0.000 0.000 0.239 131 V C 0.689 176.775 176.094 -0.013 0.000 1.332 131 V CA -0.053 62.233 62.300 -0.023 0.000 1.224 131 V CB -0.398 31.415 31.823 -0.017 0.000 1.004 131 V HN 0.277 nan 8.190 nan 0.000 0.464 132 T N 4.851 119.395 114.554 -0.017 0.000 2.761 132 T HA 0.295 4.645 4.350 0.000 0.000 0.287 132 T C -2.460 172.239 174.700 -0.002 0.000 0.931 132 T CA -0.143 61.954 62.100 -0.004 0.000 1.164 132 T CB 0.473 69.337 68.868 -0.006 0.000 0.876 132 T HN 0.375 nan 8.240 nan 0.000 0.534 133 P HA 0.117 nan 4.420 nan 0.000 0.264 133 P C -0.123 177.177 177.300 -0.001 0.000 1.183 133 P CA -0.026 63.086 63.100 0.019 0.000 0.763 133 P CB 0.318 32.068 31.700 0.084 0.000 0.807 134 I N 2.408 122.960 120.570 -0.029 0.000 2.472 134 I HA 0.124 4.294 4.170 0.000 0.000 0.290 134 I C 0.961 177.063 176.117 -0.025 0.000 1.016 134 I CA -0.321 60.965 61.300 -0.022 0.000 1.348 134 I CB 0.658 38.633 38.000 -0.042 0.000 1.417 134 I HN 0.317 nan 8.210 nan 0.000 0.521 135 D N 4.072 124.472 120.400 0.002 0.000 2.414 135 D HA 0.201 4.841 4.640 0.000 0.000 0.242 135 D C -0.366 175.905 176.300 -0.049 0.000 1.129 135 D CA 0.181 54.170 54.000 -0.017 0.000 0.885 135 D CB 0.782 41.588 40.800 0.011 0.000 1.198 135 D HN 0.606 nan 8.370 nan 0.000 0.437 136 T N -0.435 114.060 114.554 -0.097 0.000 2.906 136 T HA 0.594 4.944 4.350 0.000 0.000 0.295 136 T C -0.320 174.227 174.700 -0.255 0.000 1.061 136 T CA -0.970 61.030 62.100 -0.167 0.000 1.000 136 T CB 1.535 70.330 68.868 -0.123 0.000 1.103 136 T HN 0.218 nan 8.240 nan 0.000 0.486 137 T N 2.420 116.658 114.554 -0.526 0.000 2.837 137 T HA 0.548 4.898 4.350 0.000 0.000 0.285 137 T C -0.228 174.201 174.700 -0.453 0.000 0.984 137 T CA -0.594 61.168 62.100 -0.564 0.000 1.049 137 T CB 0.693 69.049 68.868 -0.853 0.000 0.947 137 T HN 0.719 nan 8.240 nan 0.000 0.472 138 I N 4.177 124.651 120.570 -0.160 0.000 2.354 138 I HA 0.459 4.629 4.170 0.000 0.000 0.292 138 I C -0.753 175.397 176.117 0.055 0.000 0.989 138 I CA -0.728 60.569 61.300 -0.005 0.000 1.188 138 I CB 0.549 38.589 38.000 0.066 0.000 1.342 138 I HN 0.402 nan 8.210 nan 0.000 0.457 139 M N 6.123 125.817 119.600 0.156 0.000 2.690 139 M HA 0.562 5.042 4.480 0.000 0.000 0.302 139 M C -0.445 175.926 176.300 0.119 0.000 1.234 139 M CA -0.667 54.730 55.300 0.162 0.000 0.853 139 M CB 1.810 34.571 32.600 0.268 0.000 1.748 139 M HN 0.578 nan 8.290 nan 0.000 0.469 140 A N 1.665 124.533 122.820 0.081 0.000 2.306 140 A HA 0.558 4.878 4.320 0.000 0.000 0.314 140 A C -0.242 177.379 177.584 0.061 0.000 1.164 140 A CA -0.612 51.462 52.037 0.062 0.000 0.822 140 A CB 0.552 19.574 19.000 0.037 0.000 1.130 140 A HN 0.724 nan 8.150 nan 0.000 0.496 141 K N 2.257 122.691 120.400 0.058 0.000 2.205 141 K HA 0.197 4.517 4.320 0.000 0.000 0.279 141 K C -0.852 175.751 176.600 0.005 0.000 1.027 141 K CA -0.526 55.779 56.287 0.031 0.000 0.932 141 K CB 0.727 33.250 32.500 0.039 0.000 1.032 141 K HN 0.635 nan 8.250 nan 0.000 0.466 142 N N 3.555 122.229 118.700 -0.043 0.000 2.462 142 N HA 0.156 4.896 4.740 0.000 0.000 0.242 142 N C -0.750 174.634 175.510 -0.211 0.000 1.010 142 N CA -0.079 52.909 53.050 -0.103 0.000 0.939 142 N CB 1.205 39.630 38.487 -0.104 0.000 1.127 142 N HN 0.498 nan 8.380 nan 0.000 0.509 143 E N 0.435 120.488 120.200 -0.245 0.000 2.288 143 E HA 0.479 4.829 4.350 0.000 0.000 0.268 143 E C -0.802 175.373 176.600 -0.709 0.000 0.885 143 E CA -0.896 55.238 56.400 -0.444 0.000 0.767 143 E CB 2.569 32.062 29.700 -0.345 0.000 1.220 143 E HN 0.088 nan 8.360 nan 0.000 0.427 144 V N 3.266 122.623 119.914 -0.929 0.000 2.472 144 V HA 0.502 4.622 4.120 0.000 0.000 0.290 144 V C -0.814 174.616 176.094 -1.106 0.000 1.037 144 V CA -0.256 61.508 62.300 -0.893 0.000 0.908 144 V CB 0.406 31.825 31.823 -0.674 0.000 0.985 144 V HN 0.514 nan 8.190 nan 0.000 0.454 145 F N 1.999 121.610 119.950 -0.565 0.000 2.706 145 F HA 0.621 5.148 4.527 0.000 0.000 0.328 145 F C 0.071 175.718 175.800 -0.255 0.000 1.123 145 F CA -0.756 57.005 58.000 -0.399 0.000 0.978 145 F CB 1.270 40.035 39.000 -0.393 0.000 1.404 145 F HN 0.513 nan 8.300 nan 0.000 0.497 146 C N 1.391 120.814 119.300 0.204 0.000 2.358 146 C HA 0.759 5.219 4.460 0.000 0.000 0.342 146 C C -0.100 175.098 174.990 0.347 0.000 1.234 146 C CA -0.599 58.561 59.018 0.237 0.000 1.969 146 C CB 0.544 28.373 27.740 0.150 0.000 2.346 146 C HN 0.545 nan 8.230 nan 0.000 0.525 147 V N 5.951 126.074 119.914 0.348 0.000 2.509 147 V HA 0.059 4.179 4.120 0.000 0.000 0.297 147 V C 0.296 176.468 176.094 0.131 0.000 1.014 147 V CA 1.013 63.454 62.300 0.234 0.000 1.127 147 V CB 0.678 32.582 31.823 0.135 0.000 0.925 147 V HN 0.926 nan 8.190 nan 0.000 0.480 148 Q N 5.986 125.840 119.800 0.090 0.000 2.560 148 Q HA 0.377 4.718 4.340 0.000 0.000 0.238 148 Q C -1.937 174.070 176.000 0.011 0.000 1.079 148 Q CA -1.351 54.476 55.803 0.041 0.000 0.866 148 Q CB 0.994 29.747 28.738 0.025 0.000 1.153 148 Q HN 0.645 nan 8.270 nan 0.000 0.530 154 R N 0.746 121.162 120.500 -0.139 0.000 2.686 154 R HA 0.573 4.913 4.340 0.000 0.000 0.286 154 R C -0.898 175.370 176.300 -0.052 0.000 0.969 154 R CA -0.684 55.299 56.100 -0.195 0.000 0.898 154 R CB 2.125 32.154 30.300 -0.451 0.000 1.183 154 R HN -0.000 nan 8.270 nan 0.000 0.456 155 K N 2.836 123.265 120.400 0.048 0.000 2.322 155 K HA 0.218 4.538 4.320 0.000 0.000 0.283 155 K C -2.231 174.416 176.600 0.079 0.000 1.042 155 K CA -1.450 54.823 56.287 -0.023 0.000 0.958 155 K CB 0.519 32.852 32.500 -0.278 0.000 0.984 155 K HN 0.240 nan 8.250 nan 0.000 0.473 156 P HA 0.033 nan 4.420 nan 0.000 0.274 156 P C -0.963 176.393 177.300 0.093 0.000 1.231 156 P CA -0.487 62.650 63.100 0.060 0.000 0.790 156 P CB 0.683 32.397 31.700 0.023 0.000 0.951 157 A N 3.021 125.899 122.820 0.096 0.000 2.565 157 A HA 0.017 4.337 4.320 0.000 0.000 0.237 157 A C 0.563 178.200 177.584 0.088 0.000 1.053 157 A CA 0.168 52.266 52.037 0.101 0.000 0.755 157 A CB -0.417 18.625 19.000 0.069 0.000 0.980 157 A HN 0.453 nan 8.150 nan 0.000 0.506 158 R N 0.514 121.081 120.500 0.112 0.000 2.679 158 R HA 0.316 4.656 4.340 0.000 0.000 0.269 158 R C -0.746 175.610 176.300 0.094 0.000 1.076 158 R CA -0.498 55.667 56.100 0.109 0.000 1.160 158 R CB 0.197 30.575 30.300 0.130 0.000 1.054 158 R HN 0.506 nan 8.270 nan 0.000 0.507 159 L N 2.469 123.753 121.223 0.103 0.000 2.334 159 L HA 0.476 4.816 4.340 0.000 0.000 0.275 159 L C -0.337 176.622 176.870 0.148 0.000 1.036 159 L CA -0.551 54.352 54.840 0.106 0.000 0.807 159 L CB 1.246 43.355 42.059 0.082 0.000 1.231 159 L HN 0.491 nan 8.230 nan 0.000 0.438 160 I N 2.243 122.918 120.570 0.176 0.000 2.498 160 I HA 0.600 4.770 4.170 0.000 0.000 0.290 160 I C -1.131 175.174 176.117 0.313 0.000 1.032 160 I CA -0.326 61.115 61.300 0.236 0.000 1.073 160 I CB 1.910 40.035 38.000 0.208 0.000 1.251 160 I HN 0.200 nan 8.210 nan 0.000 0.426 161 V N 8.741 128.836 119.914 0.301 0.000 2.444 161 V HA 0.596 4.716 4.120 0.000 0.000 0.294 161 V C -0.865 175.402 176.094 0.288 0.000 1.022 161 V CA -0.472 61.958 62.300 0.217 0.000 0.850 161 V CB 1.120 33.043 31.823 0.167 0.000 0.992 161 V HN 0.579 nan 8.190 nan 0.000 0.426 162 F N 5.110 125.108 119.950 0.079 0.000 2.591 162 F HA 0.938 5.465 4.527 0.000 0.000 0.309 162 F C -3.093 172.747 175.800 0.068 0.000 1.098 162 F CA -2.805 55.242 58.000 0.077 0.000 0.937 162 F CB 1.766 40.806 39.000 0.068 0.000 1.250 162 F HN 0.283 nan 8.300 nan 0.000 0.447 163 P HA 0.188 nan 4.420 nan 0.000 0.280 163 P C -0.963 176.443 177.300 0.177 0.000 1.272 163 P CA -0.186 62.969 63.100 0.092 0.000 0.819 163 P CB 1.194 32.956 31.700 0.104 0.000 1.122 164 D N -0.439 120.051 120.400 0.151 0.000 2.419 164 D HA -0.091 4.549 4.640 0.000 0.000 0.236 164 D C 1.362 177.788 176.300 0.210 0.000 1.165 164 D CA -0.197 53.926 54.000 0.205 0.000 0.882 164 D CB 0.292 41.275 40.800 0.304 0.000 1.201 164 D HN 0.104 nan 8.370 nan 0.000 0.443 165 L N 3.642 124.972 121.223 0.180 0.000 2.051 165 L HA -0.061 4.279 4.340 0.000 0.000 0.214 165 L C 2.057 179.052 176.870 0.209 0.000 1.076 165 L CA 2.636 57.567 54.840 0.152 0.000 0.758 165 L CB -1.224 40.878 42.059 0.072 0.000 0.890 165 L HN 0.668 nan 8.230 nan 0.000 0.433 166 G N -1.169 107.812 108.800 0.302 0.000 2.469 166 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 166 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 166 G C 1.537 176.512 174.900 0.125 0.000 1.150 166 G CA 1.256 46.533 45.100 0.296 0.000 0.763 166 G HN 0.380 nan 8.290 nan 0.000 0.561 167 V N 0.720 120.707 119.914 0.123 0.000 2.358 167 V HA -0.147 3.973 4.120 0.000 0.000 0.246 167 V C 2.909 179.067 176.094 0.108 0.000 1.047 167 V CA 1.897 64.250 62.300 0.088 0.000 1.035 167 V CB -0.478 31.391 31.823 0.077 0.000 0.658 167 V HN 0.327 nan 8.190 nan 0.000 0.452 168 R N -0.160 120.415 120.500 0.124 0.000 2.096 168 R HA -0.119 4.221 4.340 0.000 0.000 0.235 168 R C 2.235 178.581 176.300 0.077 0.000 1.127 168 R CA 1.458 57.626 56.100 0.113 0.000 0.968 168 R CB -0.639 29.725 30.300 0.107 0.000 0.861 168 R HN 0.435 nan 8.270 nan 0.000 0.440 169 V N 0.508 120.457 119.914 0.059 0.000 2.343 169 V HA -0.298 3.822 4.120 0.000 0.000 0.247 169 V C 2.537 178.636 176.094 0.009 0.000 1.051 169 V CA 1.580 63.882 62.300 0.004 0.000 1.036 169 V CB -0.521 31.292 31.823 -0.017 0.000 0.654 169 V HN 0.439 nan 8.190 nan 0.000 0.451 170 C N -0.078 119.266 119.300 0.074 0.000 2.429 170 C HA -0.147 4.313 4.460 0.000 0.000 0.277 170 C C 2.686 177.821 174.990 0.242 0.000 1.262 170 C CA 0.929 60.064 59.018 0.194 0.000 1.733 170 C CB -1.012 26.909 27.740 0.302 0.000 2.010 170 C HN 0.623 nan 8.230 nan 0.000 0.483 171 E N 0.980 121.289 120.200 0.182 0.000 2.086 171 E HA -0.263 4.087 4.350 0.000 0.000 0.200 171 E C 2.151 178.858 176.600 0.178 0.000 1.012 171 E CA 1.409 57.929 56.400 0.201 0.000 0.812 171 E CB -0.233 29.594 29.700 0.212 0.000 0.743 171 E HN 0.660 nan 8.360 nan 0.000 0.453 172 K N 0.298 120.769 120.400 0.119 0.000 2.063 172 K HA -0.163 4.157 4.320 0.000 0.000 0.208 172 K C 2.239 178.880 176.600 0.070 0.000 1.048 172 K CA 1.520 57.864 56.287 0.094 0.000 0.928 172 K CB -0.235 32.240 32.500 -0.040 0.000 0.713 172 K HN 0.146 nan 8.250 nan 0.000 0.442 173 M N 0.438 120.032 119.600 -0.009 0.000 2.080 173 M HA -0.200 4.280 4.480 0.000 0.000 0.260 173 M C 2.420 178.737 176.300 0.027 0.000 1.068 173 M CA 1.919 57.136 55.300 -0.138 0.000 1.109 173 M CB -0.311 31.983 32.600 -0.511 0.000 1.342 173 M HN 0.260 nan 8.290 nan 0.000 0.405 174 A N -0.948 122.020 122.820 0.248 0.000 1.975 174 A HA 0.089 4.409 4.320 0.000 0.000 0.215 174 A C 1.775 179.454 177.584 0.158 0.000 1.170 174 A CA 1.048 53.278 52.037 0.321 0.000 0.656 174 A CB -0.105 19.132 19.000 0.394 0.000 0.821 174 A HN 0.495 nan 8.150 nan 0.000 0.449 175 L N -2.998 118.302 121.223 0.128 0.000 3.217 175 L HA 0.204 4.544 4.340 0.000 0.000 0.288 175 L C 1.695 178.587 176.870 0.037 0.000 1.202 175 L CA 0.006 54.862 54.840 0.026 0.000 1.027 175 L CB 0.189 42.233 42.059 -0.026 0.000 1.427 175 L HN 0.462 nan 8.230 nan 0.000 0.600 176 Y N 1.217 121.522 120.300 0.008 0.000 2.181 176 Y HA -0.286 4.264 4.550 0.000 0.000 0.288 176 Y C 2.156 178.081 175.900 0.042 0.000 1.146 176 Y CA 2.206 60.325 58.100 0.033 0.000 1.164 176 Y CB 0.179 38.644 38.460 0.008 0.000 0.982 176 Y HN 0.216 nan 8.280 nan 0.000 0.515 177 D N -0.633 119.793 120.400 0.043 0.000 2.117 177 D HA -0.167 4.473 4.640 0.000 0.000 0.198 177 D C 2.235 178.470 176.300 -0.109 0.000 0.982 177 D CA 1.502 55.480 54.000 -0.037 0.000 0.828 177 D CB -0.248 40.581 40.800 0.048 0.000 0.967 177 D HN 0.250 nan 8.370 nan 0.000 0.464 178 V N 0.641 120.497 119.914 -0.096 0.000 2.233 178 V HA -0.259 3.861 4.120 0.000 0.000 0.247 178 V C 2.720 178.702 176.094 -0.187 0.000 1.050 178 V CA 2.028 64.247 62.300 -0.135 0.000 1.010 178 V CB -0.898 30.816 31.823 -0.182 0.000 0.637 178 V HN 0.344 nan 8.190 nan 0.000 0.444 179 V N -2.341 117.438 119.914 -0.225 0.000 2.913 179 V HA -0.106 4.014 4.120 0.000 0.000 0.260 179 V C 2.011 177.950 176.094 -0.257 0.000 1.098 179 V CA 2.136 64.300 62.300 -0.228 0.000 1.121 179 V CB -0.429 31.281 31.823 -0.189 0.000 0.714 179 V HN 0.462 nan 8.190 nan 0.000 0.487 180 S N -0.125 115.415 115.700 -0.266 0.000 2.478 180 S HA 0.036 4.506 4.470 0.000 0.000 0.222 180 S C 1.802 176.303 174.600 -0.165 0.000 1.008 180 S CA 1.321 59.382 58.200 -0.231 0.000 0.928 180 S CB 0.108 63.107 63.200 -0.335 0.000 0.781 180 S HN 0.774 nan 8.310 nan 0.000 0.518 181 T N 1.042 115.493 114.554 -0.171 0.000 3.028 181 T HA 0.242 4.592 4.350 0.000 0.000 0.250 181 T C 1.492 176.087 174.700 -0.175 0.000 0.979 181 T CA -0.129 61.888 62.100 -0.137 0.000 1.004 181 T CB -0.101 68.712 68.868 -0.091 0.000 1.120 181 T HN 0.143 nan 8.240 nan 0.000 0.482 182 L N 2.760 123.875 121.223 -0.181 0.000 2.046 182 L HA 0.088 4.428 4.340 0.000 0.000 0.208 182 L C -1.159 175.539 176.870 -0.287 0.000 1.077 182 L CA 1.984 56.721 54.840 -0.172 0.000 0.747 182 L CB -1.060 40.944 42.059 -0.092 0.000 0.896 182 L HN 0.086 nan 8.230 nan 0.000 0.432 183 P HA -0.198 nan 4.420 nan 0.000 0.217 183 P C 1.428 178.247 177.300 -0.802 0.000 1.150 183 P CA 1.211 63.867 63.100 -0.741 0.000 0.832 183 P CB -0.199 30.744 31.700 -1.261 0.000 0.787 184 Q N 0.088 119.481 119.800 -0.679 0.000 2.172 184 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 184 Q C 1.923 177.788 176.000 -0.225 0.000 0.964 184 Q CA 1.284 56.882 55.803 -0.342 0.000 0.855 184 Q CB -0.605 28.038 28.738 -0.158 0.000 0.918 184 Q HN 0.076 nan 8.270 nan 0.000 0.444 185 V N 0.136 119.923 119.914 -0.212 0.000 2.379 185 V HA -0.190 3.931 4.120 0.000 0.000 0.245 185 V C 2.499 178.499 176.094 -0.158 0.000 1.044 185 V CA 1.304 63.517 62.300 -0.146 0.000 1.036 185 V CB -0.349 31.406 31.823 -0.113 0.000 0.664 185 V HN 0.124 nan 8.190 nan 0.000 0.453 186 V N -0.664 119.122 119.914 -0.213 0.000 2.358 186 V HA -0.210 3.910 4.120 0.000 0.000 0.246 186 V C 2.075 177.986 176.094 -0.304 0.000 1.047 186 V CA 2.236 64.401 62.300 -0.226 0.000 1.035 186 V CB -0.392 31.285 31.823 -0.244 0.000 0.658 186 V HN 0.468 nan 8.190 nan 0.000 0.452 187 M N -1.510 117.853 119.600 -0.395 0.000 2.414 187 M HA 0.351 4.831 4.480 0.000 0.000 0.251 187 M C 1.444 177.624 176.300 -0.200 0.000 1.116 187 M CA 0.761 55.750 55.300 -0.519 0.000 1.056 187 M CB 0.517 32.708 32.600 -0.682 0.000 1.388 187 M HN 0.476 nan 8.290 nan 0.000 0.487 188 G N 1.635 110.351 108.800 -0.140 0.000 2.611 188 G HA2 -0.399 3.561 3.960 0.000 0.000 0.301 188 G HA3 -0.399 3.561 3.960 0.000 0.000 0.301 188 G C 0.821 175.686 174.900 -0.057 0.000 1.233 188 G CA 0.856 45.918 45.100 -0.064 0.000 0.993 188 G HN 0.525 nan 8.290 nan 0.000 0.553 189 S N -0.553 115.134 115.700 -0.021 0.000 2.474 189 S HA 0.085 4.555 4.470 0.000 0.000 0.235 189 S C 2.191 176.668 174.600 -0.206 0.000 0.997 189 S CA 1.917 60.054 58.200 -0.105 0.000 0.949 189 S CB -0.136 63.083 63.200 0.031 0.000 0.766 189 S HN 1.103 nan 8.310 nan 0.000 0.517 190 S N 0.182 115.884 115.700 0.003 0.000 2.522 190 S HA 0.110 4.580 4.470 0.000 0.000 0.227 190 S C 0.214 174.832 174.600 0.030 0.000 0.986 190 S CA -0.075 58.180 58.200 0.093 0.000 0.929 190 S CB -0.435 62.950 63.200 0.308 0.000 0.769 190 S HN 0.714 nan 8.310 nan 0.000 0.529 191 Y N 3.002 123.178 120.300 -0.208 0.000 2.539 191 Y HA 0.482 5.032 4.550 0.000 0.000 0.352 191 Y C 1.225 176.906 175.900 -0.364 0.000 1.004 191 Y CA -1.371 56.570 58.100 -0.265 0.000 1.278 191 Y CB 0.060 38.360 38.460 -0.267 0.000 1.136 191 Y HN 0.047 nan 8.280 nan 0.000 0.528 192 G N 4.398 112.762 108.800 -0.726 0.000 2.421 192 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 192 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 192 G C 1.077 175.482 174.900 -0.825 0.000 1.143 192 G CA 0.142 44.864 45.100 -0.631 0.000 0.784 192 G HN 0.641 nan 8.290 nan 0.000 0.541 193 F N 1.617 120.887 119.950 -1.134 0.000 2.641 193 F HA -0.017 4.510 4.527 0.000 0.000 0.298 193 F C 2.842 178.399 175.800 -0.405 0.000 1.146 193 F CA 0.956 58.376 58.000 -0.967 0.000 1.464 193 F CB -0.193 38.258 39.000 -0.915 0.000 1.101 193 F HN 0.394 nan 8.300 nan 0.000 0.585 194 Q N -0.875 118.668 119.800 -0.429 0.000 2.472 194 Q HA -0.092 4.248 4.340 0.000 0.000 0.208 194 Q C -0.595 175.298 176.000 -0.178 0.000 0.958 194 Q CA 0.733 56.397 55.803 -0.233 0.000 0.932 194 Q CB -0.315 28.190 28.738 -0.388 0.000 1.007 194 Q HN 0.288 nan 8.270 nan 0.000 0.508 195 Y N 1.740 122.062 120.300 0.037 0.000 2.342 195 Y HA 0.303 4.853 4.550 0.000 0.000 0.334 195 Y C 0.585 176.263 175.900 -0.369 0.000 1.067 195 Y CA -1.363 56.672 58.100 -0.107 0.000 1.128 195 Y CB 1.508 39.875 38.460 -0.156 0.000 1.200 195 Y HN 0.102 nan 8.280 nan 0.000 0.464 196 S N 2.636 117.987 115.700 -0.582 0.000 2.596 196 S HA 0.176 4.647 4.470 0.000 0.000 0.260 196 S C -1.983 172.285 174.600 -0.552 0.000 1.336 196 S CA -0.965 56.487 58.200 -1.247 0.000 0.993 196 S CB 0.950 63.626 63.200 -0.874 0.000 0.923 196 S HN 0.438 nan 8.310 nan 0.000 0.567 197 P HA -0.016 nan 4.420 nan 0.000 0.216 197 P C 1.737 178.936 177.300 -0.168 0.000 1.153 197 P CA 1.707 64.666 63.100 -0.236 0.000 0.858 197 P CB -0.543 31.047 31.700 -0.183 0.000 0.789 198 G N -0.268 108.390 108.800 -0.237 0.000 2.421 198 G HA2 -0.281 3.679 3.960 0.000 0.000 0.216 198 G HA3 -0.281 3.679 3.960 0.000 0.000 0.216 198 G C 1.516 176.349 174.900 -0.110 0.000 1.171 198 G CA 0.700 45.724 45.100 -0.127 0.000 0.775 198 G HN 0.313 nan 8.290 nan 0.000 0.543 199 Q N -0.544 119.172 119.800 -0.139 0.000 2.123 199 Q HA 0.041 4.381 4.340 0.000 0.000 0.199 199 Q C 2.577 178.395 176.000 -0.303 0.000 0.966 199 Q CA 0.912 56.639 55.803 -0.126 0.000 0.845 199 Q CB -0.121 28.637 28.738 0.033 0.000 0.907 199 Q HN 0.469 nan 8.270 nan 0.000 0.439 200 R N 0.392 120.730 120.500 -0.271 0.000 2.073 200 R HA -0.127 4.213 4.340 0.000 0.000 0.234 200 R C 2.227 178.422 176.300 -0.176 0.000 1.134 200 R CA 1.257 57.176 56.100 -0.302 0.000 0.952 200 R CB -0.428 29.805 30.300 -0.112 0.000 0.850 200 R HN 0.192 nan 8.270 nan 0.000 0.433 201 V N 1.426 121.272 119.914 -0.113 0.000 2.407 201 V HA -0.226 3.894 4.120 0.000 0.000 0.248 201 V C 2.188 178.212 176.094 -0.116 0.000 1.055 201 V CA 2.408 64.654 62.300 -0.090 0.000 1.049 201 V CB -0.328 31.485 31.823 -0.017 0.000 0.662 201 V HN 0.537 nan 8.190 nan 0.000 0.455 202 E N -0.792 119.350 120.200 -0.096 0.000 2.051 202 E HA -0.293 4.057 4.350 0.000 0.000 0.192 202 E C 2.100 178.637 176.600 -0.104 0.000 0.991 202 E CA 1.995 58.345 56.400 -0.083 0.000 0.799 202 E CB -0.413 29.257 29.700 -0.050 0.000 0.748 202 E HN 0.652 nan 8.360 nan 0.000 0.449 203 F N 1.108 120.877 119.950 -0.300 0.000 2.186 203 F HA -0.100 4.428 4.527 0.000 0.000 0.299 203 F C 1.895 177.567 175.800 -0.213 0.000 1.090 203 F CA 1.130 58.946 58.000 -0.307 0.000 1.307 203 F CB -0.060 38.593 39.000 -0.579 0.000 1.019 203 F HN 0.022 nan 8.300 nan 0.000 0.489 204 L N -0.953 120.144 121.223 -0.211 0.000 2.027 204 L HA -0.204 4.136 4.340 0.000 0.000 0.206 204 L C 2.377 179.098 176.870 -0.248 0.000 1.074 204 L CA 1.035 55.734 54.840 -0.236 0.000 0.745 204 L CB -0.789 41.170 42.059 -0.167 0.000 0.898 204 L HN -0.020 nan 8.230 nan 0.000 0.433 205 V N 0.098 119.847 119.914 -0.274 0.000 2.307 205 V HA -0.262 3.858 4.120 0.000 0.000 0.245 205 V C 2.212 178.196 176.094 -0.183 0.000 1.045 205 V CA 1.860 63.977 62.300 -0.305 0.000 1.024 205 V CB -0.697 30.819 31.823 -0.512 0.000 0.651 205 V HN 0.468 nan 8.190 nan 0.000 0.449 206 N N 0.198 118.777 118.700 -0.201 0.000 2.069 206 N HA -0.155 4.585 4.740 0.000 0.000 0.191 206 N C 1.910 177.295 175.510 -0.208 0.000 1.031 206 N CA 2.051 54.998 53.050 -0.171 0.000 0.852 206 N CB -0.859 37.536 38.487 -0.153 0.000 1.018 206 N HN 0.449 nan 8.380 nan 0.000 0.423 207 T N 0.588 114.929 114.554 -0.355 0.000 2.684 207 T HA -0.171 4.179 4.350 0.000 0.000 0.267 207 T C 1.488 176.093 174.700 -0.159 0.000 1.036 207 T CA 0.891 62.778 62.100 -0.355 0.000 1.148 207 T CB -0.335 68.175 68.868 -0.596 0.000 0.863 207 T HN 0.426 nan 8.240 nan 0.000 0.436 208 W N 3.123 124.256 121.300 -0.279 0.000 2.335 208 W HA -0.167 4.493 4.660 0.000 0.000 0.311 208 W C 2.006 178.433 176.519 -0.154 0.000 1.213 208 W CA 1.801 59.024 57.345 -0.203 0.000 1.274 208 W CB -0.116 29.218 29.460 -0.210 0.000 1.148 208 W HN 0.320 nan 8.180 nan 0.000 0.498 209 K N 0.366 120.761 120.400 -0.009 0.000 2.444 209 K HA -0.011 4.309 4.320 0.000 0.000 0.193 209 K C 1.647 178.183 176.600 -0.107 0.000 1.024 209 K CA 1.246 57.496 56.287 -0.062 0.000 1.077 209 K CB -0.435 32.073 32.500 0.012 0.000 0.833 209 K HN 0.005 nan 8.250 nan 0.000 0.517 210 S N 0.482 116.104 115.700 -0.130 0.000 2.522 210 S HA 0.038 4.508 4.470 0.000 0.000 0.227 210 S C 0.387 174.901 174.600 -0.143 0.000 0.986 210 S CA -0.199 57.929 58.200 -0.121 0.000 0.929 210 S CB -0.092 63.037 63.200 -0.119 0.000 0.769 210 S HN 0.106 nan 8.310 nan 0.000 0.529 211 K N 1.746 122.019 120.400 -0.211 0.000 2.172 211 K HA 0.377 4.697 4.320 0.000 0.000 0.276 211 K C 0.424 176.902 176.600 -0.204 0.000 1.013 211 K CA -0.346 55.803 56.287 -0.230 0.000 0.913 211 K CB 1.300 33.593 32.500 -0.344 0.000 1.055 211 K HN 0.102 nan 8.250 nan 0.000 0.461 212 K N 1.070 121.382 120.400 -0.147 0.000 2.026 212 K HA -0.054 4.266 4.320 0.000 0.000 0.208 212 K C 0.245 176.768 176.600 -0.128 0.000 1.048 212 K CA 1.227 57.447 56.287 -0.113 0.000 0.929 212 K CB 0.154 32.607 32.500 -0.079 0.000 0.713 212 K HN 0.453 nan 8.250 nan 0.000 0.439 213 N N 1.267 119.880 118.700 -0.145 0.000 2.716 213 N HA 0.197 4.937 4.740 0.000 0.000 0.253 213 N C -2.882 172.496 175.510 -0.220 0.000 1.170 213 N CA -1.185 51.781 53.050 -0.141 0.000 0.807 213 N CB 1.571 40.015 38.487 -0.073 0.000 1.183 213 N HN 0.016 nan 8.380 nan 0.000 0.524 214 P HA 0.110 nan 4.420 nan 0.000 0.271 214 P C -0.224 176.730 177.300 -0.577 0.000 1.216 214 P CA -0.162 62.456 63.100 -0.804 0.000 0.776 214 P CB 1.221 31.804 31.700 -1.860 0.000 0.881 215 M N 2.123 121.466 119.600 -0.429 0.000 2.501 215 M HA 0.671 5.151 4.480 0.000 0.000 0.293 215 M C -1.080 175.177 176.300 -0.071 0.000 1.192 215 M CA -0.380 54.785 55.300 -0.226 0.000 0.886 215 M CB 2.664 35.193 32.600 -0.118 0.000 1.710 215 M HN 0.574 nan 8.290 nan 0.000 0.457 216 G N 3.304 112.181 108.800 0.129 0.000 2.696 216 G HA2 0.808 4.768 3.960 0.000 0.000 0.295 216 G HA3 0.808 4.768 3.960 0.000 0.000 0.295 216 G C -2.075 172.927 174.900 0.169 0.000 1.398 216 G CA -0.596 44.606 45.100 0.170 0.000 0.920 216 G HN 0.789 nan 8.290 nan 0.000 0.492 217 F N -0.361 119.554 119.950 -0.059 0.000 2.641 217 F HA 0.770 5.297 4.527 0.000 0.000 0.308 217 F C -0.193 175.589 175.800 -0.030 0.000 1.105 217 F CA -1.512 56.450 58.000 -0.064 0.000 0.964 217 F CB 1.301 40.245 39.000 -0.093 0.000 1.294 217 F HN 0.606 nan 8.300 nan 0.000 0.442 218 S N 1.373 117.140 115.700 0.112 0.000 2.554 218 S HA 0.556 5.026 4.470 0.000 0.000 0.278 218 S C -1.409 173.362 174.600 0.286 0.000 1.242 218 S CA -0.541 57.711 58.200 0.087 0.000 1.051 218 S CB 1.391 64.623 63.200 0.053 0.000 0.986 218 S HN 0.810 nan 8.310 nan 0.000 0.502 219 Y N 1.559 121.952 120.300 0.156 0.000 2.345 219 Y HA 0.393 4.943 4.550 0.000 0.000 0.331 219 Y C -0.773 175.244 175.900 0.194 0.000 0.959 219 Y CA -0.926 57.332 58.100 0.263 0.000 1.204 219 Y CB 1.136 39.846 38.460 0.416 0.000 1.135 219 Y HN 0.817 nan 8.280 nan 0.000 0.477 220 D N 4.616 124.883 120.400 -0.222 0.000 2.411 220 D HA 0.167 4.807 4.640 0.000 0.000 0.225 220 D C -0.519 175.620 176.300 -0.269 0.000 1.156 220 D CA -0.000 53.910 54.000 -0.150 0.000 0.874 220 D CB 0.709 41.454 40.800 -0.093 0.000 1.034 220 D HN 0.476 nan 8.370 nan 0.000 0.502 221 T N 3.597 118.159 114.554 0.013 0.000 2.888 221 T HA 0.050 4.400 4.350 0.000 0.000 0.301 221 T C 0.613 175.391 174.700 0.131 0.000 1.001 221 T CA -0.309 61.889 62.100 0.165 0.000 1.147 221 T CB 0.579 69.768 68.868 0.535 0.000 0.931 221 T HN 0.297 nan 8.240 nan 0.000 0.541 222 R N 2.459 123.003 120.500 0.074 0.000 2.404 222 R HA 0.137 4.477 4.340 0.000 0.000 0.315 222 R C -0.101 176.307 176.300 0.181 0.000 1.032 222 R CA -0.365 55.778 56.100 0.071 0.000 0.992 222 R CB -0.748 29.534 30.300 -0.031 0.000 0.959 222 R HN 0.980 nan 8.270 nan 0.000 0.428 223 C N 5.300 124.733 119.300 0.222 0.000 2.865 223 C HA -0.168 4.292 4.460 0.000 0.000 0.254 223 C C 1.317 176.506 174.990 0.333 0.000 1.239 223 C CA -0.047 59.148 59.018 0.295 0.000 2.512 223 C CB -3.073 24.884 27.740 0.362 0.000 1.556 223 C HN 1.016 nan 8.230 nan 0.000 0.433 224 F N 1.952 122.016 119.950 0.190 0.000 2.063 224 F HA -0.208 4.319 4.527 0.000 0.000 0.298 224 F C 1.981 177.883 175.800 0.171 0.000 1.109 224 F CA 2.510 60.621 58.000 0.185 0.000 1.212 224 F CB -0.032 39.068 39.000 0.167 0.000 0.973 224 F HN 0.497 nan 8.300 nan 0.000 0.480 225 D N -0.470 120.150 120.400 0.367 0.000 2.158 225 D HA -0.178 4.462 4.640 0.000 0.000 0.197 225 D C 2.469 178.810 176.300 0.068 0.000 0.995 225 D CA 1.668 55.809 54.000 0.234 0.000 0.846 225 D CB -0.559 40.390 40.800 0.249 0.000 0.941 225 D HN 0.242 nan 8.370 nan 0.000 0.456 226 S N -0.686 115.067 115.700 0.089 0.000 2.428 226 S HA -0.098 4.373 4.470 0.000 0.000 0.230 226 S C 1.979 176.491 174.600 -0.146 0.000 1.014 226 S CA 1.389 59.544 58.200 -0.075 0.000 0.957 226 S CB -0.192 62.999 63.200 -0.015 0.000 0.784 226 S HN 0.536 nan 8.310 nan 0.000 0.499 227 T N -0.554 113.993 114.554 -0.011 0.000 3.088 227 T HA 0.147 4.498 4.350 0.000 0.000 0.259 227 T C 0.558 175.162 174.700 -0.161 0.000 1.122 227 T CA -0.002 62.088 62.100 -0.018 0.000 1.095 227 T CB -0.346 68.506 68.868 -0.027 0.000 0.930 227 T HN 0.015 nan 8.240 nan 0.000 0.508 228 V N 3.913 123.702 119.914 -0.208 0.000 2.508 228 V HA 0.354 4.474 4.120 0.000 0.000 0.281 228 V C 1.106 177.132 176.094 -0.113 0.000 1.041 228 V CA -0.341 61.861 62.300 -0.164 0.000 1.016 228 V CB 0.357 32.123 31.823 -0.097 0.000 0.984 228 V HN 0.707 nan 8.190 nan 0.000 0.478 229 T N 0.720 115.224 114.554 -0.083 0.000 2.897 229 T HA 0.323 4.673 4.350 0.000 0.000 0.278 229 T C 1.049 175.722 174.700 -0.046 0.000 0.981 229 T CA -0.196 61.862 62.100 -0.071 0.000 0.973 229 T CB 1.552 70.384 68.868 -0.059 0.000 1.092 229 T HN 0.722 nan 8.240 nan 0.000 0.543 230 E N 0.642 120.819 120.200 -0.039 0.000 2.085 230 E HA -0.296 4.054 4.350 0.000 0.000 0.194 230 E C 1.902 178.497 176.600 -0.008 0.000 0.994 230 E CA 1.735 58.126 56.400 -0.016 0.000 0.801 230 E CB -0.303 29.390 29.700 -0.012 0.000 0.743 230 E HN 0.766 nan 8.360 nan 0.000 0.453 231 N N 0.716 119.405 118.700 -0.018 0.000 2.061 231 N HA -0.220 4.520 4.740 0.000 0.000 0.193 231 N C 1.485 176.998 175.510 0.005 0.000 1.030 231 N CA 2.255 55.299 53.050 -0.011 0.000 0.856 231 N CB -0.158 38.310 38.487 -0.032 0.000 1.023 231 N HN 0.178 nan 8.380 nan 0.000 0.424 232 D N -0.111 120.290 120.400 0.001 0.000 2.123 232 D HA -0.126 4.514 4.640 0.000 0.000 0.196 232 D C 1.959 178.262 176.300 0.005 0.000 0.992 232 D CA 1.047 55.060 54.000 0.022 0.000 0.833 232 D CB -0.227 40.580 40.800 0.012 0.000 0.954 232 D HN 0.492 nan 8.370 nan 0.000 0.455 233 I N 0.519 121.093 120.570 0.005 0.000 2.353 233 I HA -0.145 4.025 4.170 0.000 0.000 0.248 233 I C 2.466 178.583 176.117 -0.001 0.000 1.119 233 I CA 0.686 61.995 61.300 0.014 0.000 1.417 233 I CB -0.080 37.953 38.000 0.055 0.000 1.078 233 I HN -0.135 nan 8.210 nan 0.000 0.421 234 R N 0.314 120.816 120.500 0.004 0.000 2.081 234 R HA -0.102 4.238 4.340 0.000 0.000 0.235 234 R C 2.347 178.622 176.300 -0.041 0.000 1.131 234 R CA 1.147 57.244 56.100 -0.006 0.000 0.960 234 R CB -0.573 29.729 30.300 0.004 0.000 0.856 234 R HN 0.203 nan 8.270 nan 0.000 0.436 235 V N 1.547 121.440 119.914 -0.034 0.000 2.343 235 V HA -0.254 3.866 4.120 0.000 0.000 0.247 235 V C 2.036 178.040 176.094 -0.151 0.000 1.051 235 V CA 1.859 64.128 62.300 -0.051 0.000 1.036 235 V CB -0.424 31.413 31.823 0.024 0.000 0.654 235 V HN 0.350 nan 8.190 nan 0.000 0.451 236 E N -0.057 120.023 120.200 -0.200 0.000 2.049 236 E HA -0.326 4.024 4.350 0.000 0.000 0.198 236 E C 2.178 178.283 176.600 -0.826 0.000 1.007 236 E CA 1.765 57.892 56.400 -0.456 0.000 0.809 236 E CB -0.203 29.282 29.700 -0.359 0.000 0.749 236 E HN 0.768 nan 8.360 nan 0.000 0.450 237 E N 0.956 120.871 120.200 -0.475 0.000 2.085 237 E HA -0.223 4.127 4.350 0.000 0.000 0.194 237 E C 1.949 178.452 176.600 -0.162 0.000 0.994 237 E CA 2.088 58.341 56.400 -0.245 0.000 0.801 237 E CB -0.244 29.468 29.700 0.020 0.000 0.743 237 E HN 0.187 nan 8.360 nan 0.000 0.453 238 S N -0.065 115.551 115.700 -0.141 0.000 2.419 238 S HA -0.128 4.342 4.470 0.000 0.000 0.233 238 S C 2.071 176.615 174.600 -0.092 0.000 1.016 238 S CA 1.167 59.319 58.200 -0.079 0.000 0.974 238 S CB -0.567 62.597 63.200 -0.059 0.000 0.786 238 S HN 0.407 nan 8.310 nan 0.000 0.492 239 I N 0.005 120.465 120.570 -0.184 0.000 2.233 239 I HA -0.094 4.076 4.170 0.000 0.000 0.243 239 I C 2.275 178.378 176.117 -0.023 0.000 1.093 239 I CA 1.109 62.323 61.300 -0.142 0.000 1.380 239 I CB -0.513 37.366 38.000 -0.202 0.000 1.067 239 I HN 0.206 nan 8.210 nan 0.000 0.413 240 Y N 1.255 121.547 120.300 -0.014 0.000 2.165 240 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 240 Y C 2.693 178.594 175.900 0.002 0.000 1.155 240 Y CA 0.753 58.850 58.100 -0.005 0.000 1.164 240 Y CB -1.189 37.281 38.460 0.018 0.000 0.978 240 Y HN 0.247 nan 8.280 nan 0.000 0.513 241 Q N -1.131 118.757 119.800 0.147 0.000 2.364 241 Q HA -0.127 4.214 4.340 0.000 0.000 0.207 241 Q C 2.399 178.429 176.000 0.050 0.000 0.970 241 Q CA 1.045 56.900 55.803 0.086 0.000 0.888 241 Q CB -0.886 27.886 28.738 0.057 0.000 0.951 241 Q HN 0.528 nan 8.270 nan 0.000 0.469 242 C N 0.334 119.655 119.300 0.036 0.000 2.419 242 C HA -0.078 4.382 4.460 0.000 0.000 0.281 242 C C 1.638 176.642 174.990 0.023 0.000 1.336 242 C CA -0.624 58.405 59.018 0.018 0.000 1.770 242 C CB -0.786 26.955 27.740 0.000 0.000 1.929 242 C HN 0.412 nan 8.230 nan 0.000 0.509 243 C N 1.914 121.237 119.300 0.039 0.000 2.703 243 C HA 0.099 4.559 4.460 0.000 0.000 0.411 243 C C 0.595 175.602 174.990 0.028 0.000 1.290 243 C CA -0.211 58.826 59.018 0.031 0.000 2.054 243 C CB -0.290 27.474 27.740 0.040 0.000 2.732 243 C HN 0.496 nan 8.230 nan 0.000 0.650 244 D N 2.027 122.439 120.400 0.020 0.000 2.344 244 D HA 0.423 5.063 4.640 0.000 0.000 0.253 244 D C -0.607 175.709 176.300 0.027 0.000 1.255 244 D CA 0.401 54.413 54.000 0.021 0.000 0.894 244 D CB 0.061 40.870 40.800 0.014 0.000 1.067 244 D HN 0.381 nan 8.370 nan 0.000 0.492 245 L N 1.963 123.207 121.223 0.035 0.000 2.371 245 L HA 0.624 4.964 4.340 0.000 0.000 0.262 245 L C 0.347 177.247 176.870 0.048 0.000 1.006 245 L CA -1.429 53.439 54.840 0.046 0.000 0.818 245 L CB 1.821 43.914 42.059 0.057 0.000 1.354 245 L HN 0.288 nan 8.230 nan 0.000 0.415 246 A N 2.125 124.981 122.820 0.059 0.000 2.498 246 A HA 0.324 4.644 4.320 0.000 0.000 0.239 246 A C -1.545 176.081 177.584 0.070 0.000 1.068 246 A CA -0.902 51.173 52.037 0.065 0.000 0.766 246 A CB -0.257 18.790 19.000 0.079 0.000 1.003 246 A HN 0.634 nan 8.150 nan 0.000 0.497 247 P HA -0.233 nan 4.420 nan 0.000 0.218 247 P C 1.002 178.332 177.300 0.051 0.000 1.152 247 P CA 1.740 64.867 63.100 0.045 0.000 0.857 247 P CB 0.109 31.831 31.700 0.036 0.000 0.787 248 E N -0.646 119.610 120.200 0.093 0.000 2.150 248 E HA -0.109 4.241 4.350 0.000 0.000 0.193 248 E C 2.123 178.799 176.600 0.127 0.000 0.985 248 E CA 1.114 57.589 56.400 0.124 0.000 0.814 248 E CB -0.356 29.521 29.700 0.295 0.000 0.752 248 E HN 0.208 nan 8.360 nan 0.000 0.466 249 A N 1.656 124.581 122.820 0.175 0.000 1.872 249 A HA -0.154 4.166 4.320 0.000 0.000 0.214 249 A C 2.061 179.694 177.584 0.081 0.000 1.187 249 A CA 0.908 53.051 52.037 0.177 0.000 0.614 249 A CB -0.329 18.770 19.000 0.164 0.000 0.826 249 A HN 0.068 nan 8.150 nan 0.000 0.442 250 R N -0.838 119.698 120.500 0.060 0.000 2.113 250 R HA -0.260 4.080 4.340 0.000 0.000 0.244 250 R C 2.491 178.792 176.300 0.001 0.000 1.142 250 R CA 2.030 58.153 56.100 0.039 0.000 0.953 250 R CB -0.420 29.899 30.300 0.032 0.000 0.860 250 R HN 0.672 nan 8.270 nan 0.000 0.438 251 Q N 0.514 120.291 119.800 -0.038 0.000 2.050 251 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 251 Q C 1.970 177.875 176.000 -0.159 0.000 0.980 251 Q CA 2.013 57.760 55.803 -0.094 0.000 0.840 251 Q CB -0.244 28.424 28.738 -0.117 0.000 0.898 251 Q HN 0.359 nan 8.270 nan 0.000 0.424 252 A N 0.116 122.791 122.820 -0.242 0.000 1.902 252 A HA -0.121 4.199 4.320 0.000 0.000 0.217 252 A C 2.144 179.639 177.584 -0.148 0.000 1.181 252 A CA 1.433 53.256 52.037 -0.357 0.000 0.623 252 A CB -0.715 17.905 19.000 -0.635 0.000 0.818 252 A HN 0.488 nan 8.150 nan 0.000 0.443 253 I N -0.474 120.080 120.570 -0.026 0.000 2.179 253 I HA -0.268 3.902 4.170 0.000 0.000 0.242 253 I C 2.562 178.726 176.117 0.078 0.000 1.088 253 I CA 1.874 63.223 61.300 0.081 0.000 1.357 253 I CB -0.212 37.869 38.000 0.135 0.000 1.051 253 I HN 0.406 nan 8.210 nan 0.000 0.409 254 K N 0.526 120.943 120.400 0.029 0.000 2.026 254 K HA -0.236 4.084 4.320 0.000 0.000 0.208 254 K C 2.355 178.938 176.600 -0.028 0.000 1.048 254 K CA 2.009 58.306 56.287 0.016 0.000 0.929 254 K CB -0.173 32.324 32.500 -0.005 0.000 0.713 254 K HN 0.162 nan 8.250 nan 0.000 0.439 255 S N 0.597 116.247 115.700 -0.083 0.000 2.368 255 S HA -0.095 4.375 4.470 0.000 0.000 0.225 255 S C 2.012 176.519 174.600 -0.154 0.000 1.030 255 S CA 1.058 59.186 58.200 -0.120 0.000 0.999 255 S CB -0.268 62.831 63.200 -0.168 0.000 0.844 255 S HN 0.380 nan 8.310 nan 0.000 0.459 256 L N 0.760 121.863 121.223 -0.200 0.000 2.083 256 L HA -0.091 4.249 4.340 0.000 0.000 0.209 256 L C 2.825 179.400 176.870 -0.490 0.000 1.083 256 L CA 1.580 56.175 54.840 -0.407 0.000 0.752 256 L CB -0.993 40.771 42.059 -0.492 0.000 0.899 256 L HN 0.350 nan 8.230 nan 0.000 0.433 257 T N -0.930 113.548 114.554 -0.128 0.000 2.674 257 T HA -0.164 4.186 4.350 0.000 0.000 0.265 257 T C 1.787 176.503 174.700 0.026 0.000 1.039 257 T CA 1.245 63.409 62.100 0.106 0.000 1.150 257 T CB -0.105 68.881 68.868 0.197 0.000 0.864 257 T HN 0.295 nan 8.240 nan 0.000 0.427 258 E N 0.914 121.105 120.200 -0.014 0.000 2.106 258 E HA -0.027 4.323 4.350 0.000 0.000 0.192 258 E C 2.350 178.932 176.600 -0.031 0.000 0.984 258 E CA 0.943 57.335 56.400 -0.013 0.000 0.806 258 E CB -0.092 29.596 29.700 -0.020 0.000 0.750 258 E HN 0.450 nan 8.360 nan 0.000 0.458 259 R N -0.649 119.803 120.500 -0.079 0.000 2.206 259 R HA 0.115 4.455 4.340 0.000 0.000 0.198 259 R C 1.881 178.121 176.300 -0.100 0.000 0.986 259 R CA 0.247 56.299 56.100 -0.080 0.000 1.029 259 R CB 0.286 30.529 30.300 -0.095 0.000 0.966 259 R HN 0.035 nan 8.270 nan 0.000 0.487 260 L N -2.103 119.021 121.223 -0.166 0.000 2.664 260 L HA 0.204 4.544 4.340 0.000 0.000 0.198 260 L C 1.280 178.140 176.870 -0.015 0.000 1.057 260 L CA 0.817 55.563 54.840 -0.157 0.000 0.871 260 L CB -0.213 41.674 42.059 -0.287 0.000 1.364 260 L HN -0.117 nan 8.230 nan 0.000 0.483 261 Y N 0.256 120.571 120.300 0.024 0.000 2.200 261 Y HA -0.051 4.499 4.550 0.000 0.000 0.290 261 Y C 2.580 178.486 175.900 0.010 0.000 1.137 261 Y CA 1.428 59.551 58.100 0.038 0.000 1.163 261 Y CB -0.804 37.703 38.460 0.078 0.000 0.988 261 Y HN 0.121 nan 8.280 nan 0.000 0.518 262 I N -0.969 119.693 120.570 0.153 0.000 2.286 262 I HA -0.092 4.078 4.170 0.000 0.000 0.248 262 I C 1.246 177.369 176.117 0.010 0.000 1.115 262 I CA 1.548 62.889 61.300 0.068 0.000 1.392 262 I CB -0.264 37.769 38.000 0.054 0.000 1.065 262 I HN 0.323 nan 8.210 nan 0.000 0.418 263 G N -1.448 107.337 108.800 -0.025 0.000 2.343 263 G HA2 0.467 4.427 3.960 0.000 0.000 0.289 263 G HA3 0.467 4.427 3.960 0.000 0.000 0.289 263 G C -0.877 173.864 174.900 -0.264 0.000 1.295 263 G CA -0.267 44.744 45.100 -0.149 0.000 0.869 263 G HN 0.491 nan 8.290 nan 0.000 0.522 264 G N -1.094 107.278 108.800 -0.714 0.000 2.337 264 G HA2 0.679 4.639 3.960 0.000 0.000 0.298 264 G HA3 0.679 4.639 3.960 0.000 0.000 0.298 264 G C -3.481 170.825 174.900 -0.990 0.000 1.335 264 G CA 0.214 44.870 45.100 -0.740 0.000 0.875 264 G HN 0.845 nan 8.290 nan 0.000 0.579 265 P HA 0.549 nan 4.420 nan 0.000 0.274 265 P C -0.633 176.588 177.300 -0.131 0.000 1.237 265 P CA -0.265 62.738 63.100 -0.160 0.000 0.793 265 P CB 1.227 32.951 31.700 0.041 0.000 0.977 266 L N 1.477 122.670 121.223 -0.050 0.000 2.356 266 L HA 0.481 4.822 4.340 0.000 0.000 0.277 266 L C 0.245 177.121 176.870 0.010 0.000 0.996 266 L CA -0.222 54.606 54.840 -0.020 0.000 0.822 266 L CB 1.979 44.060 42.059 0.038 0.000 1.256 266 L HN 0.270 nan 8.230 nan 0.000 0.413 267 T N 1.176 115.713 114.554 -0.028 0.000 2.841 267 T HA 0.357 4.707 4.350 0.000 0.000 0.283 267 T C -0.256 174.423 174.700 -0.035 0.000 1.000 267 T CA -0.838 61.247 62.100 -0.025 0.000 0.977 267 T CB 1.587 70.426 68.868 -0.048 0.000 0.979 267 T HN 0.650 nan 8.240 nan 0.000 0.446 268 N N 0.568 119.263 118.700 -0.008 0.000 2.364 268 N HA 0.140 4.880 4.740 0.000 0.000 0.264 268 N C 1.435 176.935 175.510 -0.017 0.000 1.263 268 N CA -0.291 52.756 53.050 -0.006 0.000 0.959 268 N CB 0.054 38.547 38.487 0.010 0.000 1.204 268 N HN 0.456 nan 8.380 nan 0.000 0.550 269 S N -1.129 114.571 115.700 0.001 0.000 2.442 269 S HA -0.101 4.369 4.470 0.000 0.000 0.236 269 S C 1.076 175.672 174.600 -0.006 0.000 1.007 269 S CA 0.721 58.925 58.200 0.006 0.000 0.965 269 S CB -0.439 62.779 63.200 0.030 0.000 0.773 269 S HN 0.626 nan 8.310 nan 0.000 0.504 270 K N 0.809 121.206 120.400 -0.005 0.000 2.444 270 K HA 0.252 4.572 4.320 0.000 0.000 0.193 270 K C 1.190 177.780 176.600 -0.016 0.000 1.024 270 K CA 0.356 56.638 56.287 -0.008 0.000 1.077 270 K CB -0.190 32.308 32.500 -0.002 0.000 0.833 270 K HN 0.554 nan 8.250 nan 0.000 0.517 271 G N 1.791 110.578 108.800 -0.022 0.000 2.143 271 G HA2 -0.300 3.660 3.960 0.000 0.000 0.249 271 G HA3 -0.300 3.660 3.960 0.000 0.000 0.249 271 G C -0.296 174.596 174.900 -0.013 0.000 0.981 271 G CA -0.034 45.050 45.100 -0.028 0.000 0.665 271 G HN 0.363 nan 8.290 nan 0.000 0.528 272 Q N 0.208 120.007 119.800 -0.001 0.000 2.259 272 Q HA 0.328 4.669 4.340 0.000 0.000 0.249 272 Q C 0.544 176.558 176.000 0.023 0.000 0.914 272 Q CA -0.521 55.289 55.803 0.012 0.000 0.904 272 Q CB 0.897 29.645 28.738 0.017 0.000 1.213 272 Q HN 0.411 nan 8.270 nan 0.000 0.428 273 N N 1.745 120.465 118.700 0.034 0.000 2.452 273 N HA -0.027 4.713 4.740 0.000 0.000 0.266 273 N C -0.376 175.183 175.510 0.083 0.000 1.209 273 N CA -0.207 52.874 53.050 0.053 0.000 0.929 273 N CB 0.583 39.103 38.487 0.055 0.000 1.063 273 N HN 0.621 nan 8.380 nan 0.000 0.472 274 C N 2.792 122.159 119.300 0.112 0.000 2.865 274 C HA 0.434 4.894 4.460 0.000 0.000 0.280 274 C C 1.146 176.304 174.990 0.281 0.000 1.255 274 C CA 0.558 59.690 59.018 0.191 0.000 1.705 274 C CB -0.872 26.993 27.740 0.208 0.000 2.080 274 C HN 0.972 nan 8.230 nan 0.000 0.591 275 G N -1.049 107.854 108.800 0.171 0.000 2.347 275 G HA2 0.238 4.198 3.960 0.000 0.000 0.224 275 G HA3 0.238 4.198 3.960 0.000 0.000 0.224 275 G C -2.012 172.943 174.900 0.092 0.000 1.318 275 G CA -0.345 44.820 45.100 0.108 0.000 1.016 275 G HN 0.058 nan 8.290 nan 0.000 0.469 276 Y N 0.649 120.856 120.300 -0.155 0.000 2.504 276 Y HA 0.759 5.309 4.550 0.000 0.000 0.344 276 Y C -0.123 175.682 175.900 -0.159 0.000 1.023 276 Y CA -0.838 57.190 58.100 -0.120 0.000 1.020 276 Y CB 1.988 40.383 38.460 -0.109 0.000 1.282 276 Y HN 0.728 nan 8.280 nan 0.000 0.454 277 R N 4.489 124.759 120.500 -0.383 0.000 2.589 277 R HA 0.586 4.926 4.340 0.000 0.000 0.293 277 R C -0.841 175.274 176.300 -0.309 0.000 0.963 277 R CA -0.646 55.252 56.100 -0.337 0.000 0.905 277 R CB 1.154 31.332 30.300 -0.203 0.000 1.144 277 R HN 0.951 nan 8.270 nan 0.000 0.459 278 R N 2.691 122.984 120.500 -0.345 0.000 2.642 278 R HA 0.220 4.560 4.340 0.000 0.000 0.435 278 R C -0.594 175.560 176.300 -0.243 0.000 1.046 278 R CA -0.294 55.688 56.100 -0.196 0.000 1.103 278 R CB 0.487 30.716 30.300 -0.118 0.000 1.425 278 R HN 0.782 nan 8.270 nan 0.000 0.586 279 C N -1.910 117.203 119.300 -0.312 0.000 3.321 279 C HA 0.620 5.080 4.460 0.000 0.000 0.363 279 C C -0.279 174.634 174.990 -0.128 0.000 1.705 279 C CA -1.562 57.309 59.018 -0.245 0.000 1.298 279 C CB 1.219 28.734 27.740 -0.374 0.000 2.086 279 C HN 0.340 nan 8.230 nan 0.000 0.438 280 R N 1.237 121.710 120.500 -0.044 0.000 2.538 280 R HA 0.466 4.806 4.340 0.000 0.000 0.282 280 R C 0.114 176.466 176.300 0.087 0.000 1.009 280 R CA 0.953 57.083 56.100 0.049 0.000 1.063 280 R CB -0.120 30.246 30.300 0.111 0.000 0.945 280 R HN 1.198 nan 8.270 nan 0.000 0.414 281 A N 3.653 126.541 122.820 0.115 0.000 2.409 281 A HA 0.220 4.540 4.320 0.000 0.000 0.262 281 A C 0.922 178.608 177.584 0.171 0.000 1.113 281 A CA 0.071 52.202 52.037 0.156 0.000 0.790 281 A CB 0.413 19.512 19.000 0.166 0.000 1.046 281 A HN 1.007 nan 8.150 nan 0.000 0.496 282 S N 2.022 117.837 115.700 0.191 0.000 2.489 282 S HA 0.068 4.538 4.470 0.000 0.000 0.228 282 S C 1.115 175.816 174.600 0.168 0.000 0.995 282 S CA 0.696 59.003 58.200 0.179 0.000 0.934 282 S CB 0.106 63.418 63.200 0.186 0.000 0.771 282 S HN 1.191 nan 8.310 nan 0.000 0.522 283 G N 1.912 110.835 108.800 0.205 0.000 4.098 283 G HA2 0.505 4.465 3.960 0.000 0.000 0.300 283 G HA3 0.505 4.465 3.960 0.000 0.000 0.300 283 G C -0.044 174.988 174.900 0.220 0.000 1.187 283 G CA -0.130 45.097 45.100 0.212 0.000 0.964 283 G HN 0.521 nan 8.290 nan 0.000 0.559 284 V N -2.520 117.509 119.914 0.192 0.000 2.881 284 V HA 0.578 4.698 4.120 0.000 0.000 0.316 284 V C 1.446 177.625 176.094 0.142 0.000 1.070 284 V CA -0.954 61.477 62.300 0.218 0.000 0.976 284 V CB 1.787 33.810 31.823 0.333 0.000 1.038 284 V HN 0.053 nan 8.190 nan 0.000 0.446 285 L N 2.864 124.185 121.223 0.163 0.000 2.042 285 L HA -0.084 4.256 4.340 0.000 0.000 0.210 285 L C 2.400 179.288 176.870 0.030 0.000 1.076 285 L CA 3.113 58.027 54.840 0.123 0.000 0.749 285 L CB -0.822 41.334 42.059 0.162 0.000 0.893 285 L HN 1.084 nan 8.230 nan 0.000 0.432 286 T N -5.421 109.070 114.554 -0.104 0.000 3.160 286 T HA -0.038 4.313 4.350 0.000 0.000 0.257 286 T C 1.592 176.236 174.700 -0.092 0.000 1.147 286 T CA 0.856 62.839 62.100 -0.195 0.000 1.064 286 T CB -0.853 67.725 68.868 -0.483 0.000 0.949 286 T HN 0.327 nan 8.240 nan 0.000 0.526 287 T N 2.062 116.597 114.554 -0.031 0.000 2.652 287 T HA -0.173 4.177 4.350 0.000 0.000 0.267 287 T C 2.227 176.958 174.700 0.052 0.000 1.039 287 T CA 1.759 63.881 62.100 0.037 0.000 1.153 287 T CB -0.676 68.238 68.868 0.076 0.000 0.863 287 T HN 0.558 nan 8.240 nan 0.000 0.428 288 S N -0.138 115.568 115.700 0.010 0.000 2.343 288 S HA -0.164 4.306 4.470 0.000 0.000 0.219 288 S C 2.455 177.090 174.600 0.058 0.000 1.033 288 S CA 1.522 59.721 58.200 -0.002 0.000 1.014 288 S CB -1.008 62.074 63.200 -0.197 0.000 0.915 288 S HN 0.665 nan 8.310 nan 0.000 0.435 289 C N 1.310 120.613 119.300 0.005 0.000 2.429 289 C HA 0.110 4.570 4.460 0.000 0.000 0.277 289 C C 2.841 177.889 174.990 0.097 0.000 1.262 289 C CA 1.077 60.116 59.018 0.035 0.000 1.733 289 C CB -1.862 25.859 27.740 -0.032 0.000 2.010 289 C HN 0.730 nan 8.230 nan 0.000 0.483 290 G N 0.583 109.448 108.800 0.108 0.000 2.459 290 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 290 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 290 G C 1.520 176.516 174.900 0.161 0.000 1.183 290 G CA 1.168 46.342 45.100 0.123 0.000 0.776 290 G HN 0.585 nan 8.290 nan 0.000 0.552 291 N N 0.388 119.195 118.700 0.180 0.000 2.104 291 N HA -0.086 4.654 4.740 0.000 0.000 0.190 291 N C 2.442 178.010 175.510 0.097 0.000 1.024 291 N CA 1.698 54.876 53.050 0.213 0.000 0.853 291 N CB -0.778 37.750 38.487 0.068 0.000 1.008 291 N HN 0.286 nan 8.380 nan 0.000 0.424 292 T N 1.803 116.421 114.554 0.108 0.000 2.674 292 T HA -0.033 4.317 4.350 0.000 0.000 0.265 292 T C 2.167 176.951 174.700 0.141 0.000 1.039 292 T CA 0.756 62.931 62.100 0.125 0.000 1.150 292 T CB -0.432 68.583 68.868 0.246 0.000 0.864 292 T HN 0.126 nan 8.240 nan 0.000 0.427 293 L N 0.697 121.983 121.223 0.105 0.000 2.012 293 L HA -0.162 4.178 4.340 0.000 0.000 0.210 293 L C 2.955 179.917 176.870 0.153 0.000 1.073 293 L CA 1.391 56.277 54.840 0.077 0.000 0.748 293 L CB -1.099 40.968 42.059 0.013 0.000 0.891 293 L HN 0.310 nan 8.230 nan 0.000 0.431 294 T N -1.566 113.102 114.554 0.190 0.000 2.777 294 T HA -0.215 4.135 4.350 0.000 0.000 0.266 294 T C 2.000 176.899 174.700 0.332 0.000 1.040 294 T CA 1.396 63.643 62.100 0.245 0.000 1.141 294 T CB -0.434 68.608 68.868 0.291 0.000 0.868 294 T HN 0.452 nan 8.240 nan 0.000 0.444 295 C N 0.683 120.219 119.300 0.395 0.000 2.429 295 C HA -0.067 4.393 4.460 0.000 0.000 0.277 295 C C 2.408 177.543 174.990 0.241 0.000 1.262 295 C CA 0.424 59.648 59.018 0.343 0.000 1.733 295 C CB -1.373 26.422 27.740 0.091 0.000 2.010 295 C HN 0.657 nan 8.230 nan 0.000 0.483 296 Y N 0.970 121.326 120.300 0.093 0.000 2.242 296 Y HA -0.082 4.468 4.550 0.000 0.000 0.291 296 Y C 2.099 178.020 175.900 0.035 0.000 1.137 296 Y CA 1.987 60.122 58.100 0.059 0.000 1.181 296 Y CB -0.505 37.977 38.460 0.035 0.000 0.989 296 Y HN 0.345 nan 8.280 nan 0.000 0.527 297 L N 0.904 122.230 121.223 0.171 0.000 2.005 297 L HA -0.141 4.199 4.340 0.000 0.000 0.207 297 L C 2.155 178.974 176.870 -0.085 0.000 1.072 297 L CA 1.974 56.812 54.840 -0.004 0.000 0.744 297 L CB -0.872 41.152 42.059 -0.059 0.000 0.895 297 L HN 0.091 nan 8.230 nan 0.000 0.433 298 K N -0.257 120.150 120.400 0.011 0.000 2.002 298 K HA -0.115 4.206 4.320 0.000 0.000 0.209 298 K C 2.116 178.750 176.600 0.056 0.000 1.048 298 K CA 1.473 57.780 56.287 0.033 0.000 0.930 298 K CB -0.537 32.063 32.500 0.166 0.000 0.714 298 K HN 0.500 nan 8.250 nan 0.000 0.438 299 A N 1.349 124.185 122.820 0.026 0.000 1.883 299 A HA -0.189 4.131 4.320 0.000 0.000 0.217 299 A C 2.268 179.863 177.584 0.019 0.000 1.186 299 A CA 2.091 54.149 52.037 0.035 0.000 0.624 299 A CB -0.735 18.355 19.000 0.150 0.000 0.822 299 A HN 0.219 nan 8.150 nan 0.000 0.444 300 S N -0.013 115.588 115.700 -0.165 0.000 2.370 300 S HA -0.110 4.360 4.470 0.000 0.000 0.226 300 S C 2.218 176.765 174.600 -0.089 0.000 1.033 300 S CA 1.390 59.456 58.200 -0.223 0.000 1.011 300 S CB -0.471 62.442 63.200 -0.479 0.000 0.852 300 S HN 0.824 nan 8.310 nan 0.000 0.457 301 A N 1.161 123.956 122.820 -0.042 0.000 1.970 301 A HA 0.354 4.674 4.320 0.000 0.000 0.216 301 A C 2.296 179.952 177.584 0.120 0.000 1.170 301 A CA 1.280 53.355 52.037 0.063 0.000 0.645 301 A CB -0.824 18.232 19.000 0.094 0.000 0.816 301 A HN 0.498 nan 8.150 nan 0.000 0.447 302 A N -0.902 121.980 122.820 0.102 0.000 1.969 302 A HA -0.150 4.170 4.320 0.000 0.000 0.218 302 A C 2.317 179.897 177.584 -0.008 0.000 1.169 302 A CA 1.501 53.456 52.037 -0.137 0.000 0.635 302 A CB -1.329 17.245 19.000 -0.710 0.000 0.810 302 A HN 0.897 nan 8.150 nan 0.000 0.445 303 c N 0.005 118.701 118.600 0.160 0.000 2.429 303 c HA -0.064 4.506 4.570 0.000 0.000 0.277 303 c C 2.771 176.876 174.090 0.026 0.000 1.262 303 c CA 1.322 57.788 56.329 0.228 0.000 1.733 303 c CB -1.258 41.351 42.510 0.164 0.000 2.010 303 c HN 0.633 nan 8.230 nan 0.000 0.483 304 R N 0.861 121.284 120.500 -0.129 0.000 2.081 304 R HA -0.046 4.295 4.340 0.000 0.000 0.235 304 R C 2.588 178.635 176.300 -0.421 0.000 1.131 304 R CA 1.624 57.508 56.100 -0.360 0.000 0.960 304 R CB -0.627 29.277 30.300 -0.660 0.000 0.856 304 R HN 0.632 nan 8.270 nan 0.000 0.436 305 A N 1.210 123.838 122.820 -0.320 0.000 1.933 305 A HA -0.083 4.237 4.320 0.000 0.000 0.218 305 A C 2.234 179.815 177.584 -0.005 0.000 1.175 305 A CA 1.706 53.710 52.037 -0.056 0.000 0.628 305 A CB -0.435 18.588 19.000 0.039 0.000 0.814 305 A HN 0.398 nan 8.150 nan 0.000 0.444 306 A N -1.524 121.303 122.820 0.013 0.000 2.208 306 A HA 0.254 4.574 4.320 0.000 0.000 0.209 306 A C 1.090 178.696 177.584 0.037 0.000 1.161 306 A CA 0.897 52.966 52.037 0.054 0.000 0.782 306 A CB -0.356 18.733 19.000 0.147 0.000 0.816 306 A HN 0.488 nan 8.150 nan 0.000 0.477 307 K N -0.933 119.473 120.400 0.011 0.000 3.069 307 K HA -0.159 4.161 4.320 0.000 0.000 0.267 307 K C -0.647 175.963 176.600 0.017 0.000 1.082 307 K CA 0.426 56.716 56.287 0.005 0.000 0.782 307 K CB -1.950 30.558 32.500 0.012 0.000 1.230 307 K HN 0.576 nan 8.250 nan 0.000 0.488 308 L N 0.957 122.202 121.223 0.038 0.000 2.525 308 L HA -0.040 4.300 4.340 0.000 0.000 0.278 308 L C 0.899 177.777 176.870 0.013 0.000 1.218 308 L CA 0.209 55.072 54.840 0.038 0.000 0.878 308 L CB 0.154 42.256 42.059 0.071 0.000 1.127 308 L HN 0.152 nan 8.230 nan 0.000 0.492 309 Q N 2.466 122.267 119.800 0.002 0.000 2.274 309 Q HA 0.119 4.459 4.340 0.000 0.000 0.256 309 Q C -0.643 175.342 176.000 -0.025 0.000 0.927 309 Q CA -0.127 55.669 55.803 -0.012 0.000 0.939 309 Q CB 0.775 29.504 28.738 -0.015 0.000 1.201 309 Q HN 0.436 nan 8.270 nan 0.000 0.426 310 D N 1.676 122.062 120.400 -0.024 0.000 2.697 310 D HA -0.190 4.450 4.640 0.000 0.000 0.235 310 D C -0.564 175.712 176.300 -0.041 0.000 1.167 310 D CA 0.835 54.815 54.000 -0.032 0.000 0.656 310 D CB -1.583 39.189 40.800 -0.046 0.000 1.025 310 D HN 0.651 nan 8.370 nan 0.000 0.419 311 c N -0.238 118.345 118.600 -0.029 0.000 2.555 311 c HA 0.519 5.089 4.570 0.000 0.000 0.385 311 c C 0.857 174.926 174.090 -0.036 0.000 1.296 311 c CA -0.668 55.637 56.329 -0.040 0.000 1.757 311 c CB 0.076 42.576 42.510 -0.018 0.000 2.445 311 c HN 0.328 nan 8.230 nan 0.000 0.571 312 T N 6.570 121.093 114.554 -0.051 0.000 2.758 312 T HA 0.473 4.823 4.350 0.000 0.000 0.285 312 T C -0.162 174.536 174.700 -0.003 0.000 0.981 312 T CA -0.008 62.090 62.100 -0.004 0.000 0.965 312 T CB 0.933 69.787 68.868 -0.023 0.000 0.927 312 T HN 0.790 nan 8.240 nan 0.000 0.448 313 M N 3.342 122.976 119.600 0.056 0.000 2.363 313 M HA 0.576 5.056 4.480 0.000 0.000 0.343 313 M C -1.049 175.344 176.300 0.155 0.000 1.165 313 M CA -0.818 54.512 55.300 0.050 0.000 1.046 313 M CB 1.379 33.989 32.600 0.016 0.000 1.648 313 M HN 0.370 nan 8.290 nan 0.000 0.452 314 L N 4.221 125.501 121.223 0.095 0.000 2.372 314 L HA 0.686 5.027 4.340 0.000 0.000 0.274 314 L C -1.581 175.283 176.870 -0.009 0.000 0.988 314 L CA -0.434 54.460 54.840 0.091 0.000 0.833 314 L CB 1.723 43.864 42.059 0.136 0.000 1.236 314 L HN 0.462 nan 8.230 nan 0.000 0.410 315 V N 4.597 124.484 119.914 -0.046 0.000 2.487 315 V HA 0.547 4.667 4.120 0.000 0.000 0.298 315 V C -0.461 175.419 176.094 -0.357 0.000 1.028 315 V CA -0.709 61.532 62.300 -0.098 0.000 0.860 315 V CB 1.776 33.644 31.823 0.074 0.000 0.991 315 V HN 0.759 nan 8.190 nan 0.000 0.427 316 N N 4.116 122.522 118.700 -0.490 0.000 2.682 316 N HA 0.459 5.199 4.740 0.000 0.000 0.252 316 N C 0.684 175.939 175.510 -0.426 0.000 1.081 316 N CA 0.381 52.806 53.050 -1.040 0.000 0.844 316 N CB 2.084 39.839 38.487 -1.221 0.000 1.167 316 N HN 1.023 nan 8.380 nan 0.000 0.523 317 G N 3.354 112.123 108.800 -0.051 0.000 2.596 317 G HA2 -0.394 3.566 3.960 0.000 0.000 0.304 317 G HA3 -0.394 3.566 3.960 0.000 0.000 0.304 317 G C 0.509 175.257 174.900 -0.252 0.000 1.189 317 G CA 0.885 46.005 45.100 0.032 0.000 0.986 317 G HN 0.634 nan 8.290 nan 0.000 0.548 318 D N 1.233 121.407 120.400 -0.376 0.000 2.349 318 D HA 0.126 4.766 4.640 0.000 0.000 0.224 318 D C 0.440 176.589 176.300 -0.250 0.000 1.029 318 D CA 0.896 54.488 54.000 -0.680 0.000 0.879 318 D CB -0.028 40.388 40.800 -0.640 0.000 0.906 318 D HN 0.411 nan 8.370 nan 0.000 0.528 319 D N 0.614 120.923 120.400 -0.153 0.000 2.317 319 D HA 0.309 4.949 4.640 0.000 0.000 0.234 319 D C -1.092 175.168 176.300 -0.068 0.000 1.112 319 D CA -0.623 53.333 54.000 -0.074 0.000 0.840 319 D CB 1.092 41.846 40.800 -0.077 0.000 1.078 319 D HN 0.039 nan 8.370 nan 0.000 0.486 320 L N 5.060 126.292 121.223 0.015 0.000 2.385 320 L HA 0.546 4.886 4.340 0.000 0.000 0.273 320 L C -1.723 175.146 176.870 -0.001 0.000 0.990 320 L CA -0.703 54.157 54.840 0.033 0.000 0.821 320 L CB 1.908 44.054 42.059 0.145 0.000 1.279 320 L HN 0.150 nan 8.230 nan 0.000 0.412 321 V N 5.852 125.721 119.914 -0.075 0.000 2.709 321 V HA 0.788 4.908 4.120 0.000 0.000 0.308 321 V C -1.346 174.584 176.094 -0.273 0.000 1.062 321 V CA -0.381 61.818 62.300 -0.169 0.000 0.901 321 V CB 2.431 34.188 31.823 -0.110 0.000 1.003 321 V HN 0.588 nan 8.190 nan 0.000 0.425 322 V N 7.459 127.030 119.914 -0.573 0.000 2.540 322 V HA 0.594 4.714 4.120 0.000 0.000 0.302 322 V C -0.371 175.446 176.094 -0.463 0.000 1.035 322 V CA -0.492 61.435 62.300 -0.620 0.000 0.873 322 V CB 1.747 32.896 31.823 -1.122 0.000 0.992 322 V HN 0.730 nan 8.190 nan 0.000 0.428 323 I N 4.819 125.253 120.570 -0.227 0.000 2.436 323 I HA 0.677 4.847 4.170 0.000 0.000 0.289 323 I C -0.025 176.011 176.117 -0.135 0.000 1.010 323 I CA -0.301 60.928 61.300 -0.119 0.000 1.098 323 I CB 1.645 39.632 38.000 -0.022 0.000 1.266 323 I HN 0.914 nan 8.210 nan 0.000 0.434 324 C N 2.662 121.883 119.300 -0.131 0.000 3.336 324 C HA 0.593 5.053 4.460 0.000 0.000 0.352 324 C C -0.490 174.417 174.990 -0.139 0.000 1.567 324 C CA -0.904 58.050 59.018 -0.106 0.000 1.328 324 C CB 1.794 29.510 27.740 -0.040 0.000 1.922 324 C HN 0.603 nan 8.230 nan 0.000 0.439 325 E N 1.642 121.784 120.200 -0.097 0.000 2.289 325 E HA 0.310 4.660 4.350 0.000 0.000 0.278 325 E C -0.016 176.557 176.600 -0.046 0.000 1.032 325 E CA 0.427 56.771 56.400 -0.093 0.000 0.854 325 E CB 1.691 31.350 29.700 -0.069 0.000 1.046 325 E HN 0.703 nan 8.360 nan 0.000 0.409 326 S N 1.397 117.079 115.700 -0.029 0.000 2.564 326 S HA 0.279 4.749 4.470 0.000 0.000 0.278 326 S C 0.438 175.051 174.600 0.021 0.000 1.333 326 S CA -0.026 58.203 58.200 0.048 0.000 1.048 326 S CB 0.587 63.868 63.200 0.135 0.000 0.900 326 S HN 0.523 nan 8.310 nan 0.000 0.505 327 A N 3.556 126.396 122.820 0.034 0.000 2.545 327 A HA 0.632 4.953 4.320 0.000 0.000 0.277 327 A C 0.987 178.579 177.584 0.013 0.000 1.301 327 A CA 0.230 52.275 52.037 0.014 0.000 0.935 327 A CB -1.128 17.879 19.000 0.012 0.000 1.093 327 A HN 1.870 nan 8.150 nan 0.000 0.519 328 G N -1.000 107.812 108.800 0.021 0.000 2.746 328 G HA2 -0.091 3.869 3.960 0.000 0.000 0.685 328 G HA3 -0.091 3.869 3.960 0.000 0.000 0.685 328 G C 0.714 175.630 174.900 0.026 0.000 1.350 328 G CA 0.235 45.327 45.100 -0.015 0.000 0.837 328 G HN 1.200 nan 8.290 nan 0.000 0.564 329 T N -2.240 112.299 114.554 -0.024 0.000 2.821 329 T HA -0.147 4.203 4.350 0.000 0.000 0.267 329 T C 2.145 176.878 174.700 0.055 0.000 1.046 329 T CA 2.181 64.309 62.100 0.047 0.000 1.139 329 T CB -0.209 68.644 68.868 -0.025 0.000 0.871 329 T HN 0.867 nan 8.240 nan 0.000 0.454 330 Q N 0.399 120.211 119.800 0.019 0.000 2.046 330 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 330 Q C 2.491 178.500 176.000 0.016 0.000 0.975 330 Q CA 1.375 57.186 55.803 0.014 0.000 0.836 330 Q CB -0.083 28.656 28.738 0.002 0.000 0.896 330 Q HN 0.383 nan 8.270 nan 0.000 0.428 331 E N 0.688 120.898 120.200 0.017 0.000 2.107 331 E HA -0.135 4.215 4.350 0.000 0.000 0.191 331 E C 1.497 178.107 176.600 0.016 0.000 0.982 331 E CA 1.079 57.487 56.400 0.014 0.000 0.809 331 E CB -0.122 29.585 29.700 0.011 0.000 0.756 331 E HN 0.401 nan 8.360 nan 0.000 0.459 332 D N 0.245 120.669 120.400 0.040 0.000 2.123 332 D HA -0.151 4.489 4.640 0.000 0.000 0.196 332 D C 1.718 178.005 176.300 -0.021 0.000 0.992 332 D CA 1.635 55.653 54.000 0.030 0.000 0.833 332 D CB -0.320 40.552 40.800 0.121 0.000 0.954 332 D HN 0.236 nan 8.370 nan 0.000 0.455 333 A N 0.840 123.662 122.820 0.005 0.000 1.898 333 A HA -0.001 4.319 4.320 0.000 0.000 0.216 333 A C 2.296 179.861 177.584 -0.031 0.000 1.181 333 A CA 2.174 54.199 52.037 -0.019 0.000 0.620 333 A CB -0.652 18.352 19.000 0.008 0.000 0.819 333 A HN 0.242 nan 8.150 nan 0.000 0.442 334 A N -0.791 122.020 122.820 -0.015 0.000 1.873 334 A HA -0.015 4.305 4.320 0.000 0.000 0.215 334 A C 2.415 179.990 177.584 -0.015 0.000 1.186 334 A CA 1.855 53.885 52.037 -0.012 0.000 0.616 334 A CB -0.979 18.019 19.000 -0.004 0.000 0.823 334 A HN 0.420 nan 8.150 nan 0.000 0.442 335 S N 0.131 115.820 115.700 -0.018 0.000 2.380 335 S HA -0.210 4.260 4.470 0.000 0.000 0.229 335 S C 1.818 176.400 174.600 -0.031 0.000 1.050 335 S CA 1.831 60.022 58.200 -0.015 0.000 1.100 335 S CB -0.578 62.608 63.200 -0.023 0.000 0.984 335 S HN 0.511 nan 8.310 nan 0.000 0.434 336 L N 0.711 121.857 121.223 -0.128 0.000 2.131 336 L HA -0.098 4.242 4.340 0.000 0.000 0.210 336 L C 2.638 179.484 176.870 -0.040 0.000 1.092 336 L CA 1.190 55.892 54.840 -0.229 0.000 0.759 336 L CB -0.669 41.119 42.059 -0.451 0.000 0.903 336 L HN 0.298 nan 8.230 nan 0.000 0.435 337 R N -0.262 120.224 120.500 -0.023 0.000 2.075 337 R HA -0.101 4.239 4.340 0.000 0.000 0.232 337 R C 2.306 178.620 176.300 0.023 0.000 1.126 337 R CA 1.128 57.234 56.100 0.010 0.000 0.963 337 R CB -0.460 29.838 30.300 -0.003 0.000 0.858 337 R HN 0.186 nan 8.270 nan 0.000 0.435 338 V N 1.017 120.943 119.914 0.020 0.000 2.295 338 V HA -0.268 3.853 4.120 0.000 0.000 0.246 338 V C 2.008 178.109 176.094 0.011 0.000 1.049 338 V CA 1.849 64.155 62.300 0.009 0.000 1.024 338 V CB -0.645 31.186 31.823 0.013 0.000 0.648 338 V HN 0.213 nan 8.190 nan 0.000 0.447 339 F N 1.493 121.391 119.950 -0.086 0.000 2.091 339 F HA -0.284 4.243 4.527 0.000 0.000 0.299 339 F C 2.398 178.129 175.800 -0.115 0.000 1.103 339 F CA 2.472 60.414 58.000 -0.096 0.000 1.228 339 F CB -0.465 38.477 39.000 -0.096 0.000 0.984 339 F HN 0.134 nan 8.300 nan 0.000 0.477 340 T N -0.277 114.340 114.554 0.105 0.000 2.857 340 T HA -0.140 4.210 4.350 0.000 0.000 0.266 340 T C 1.669 176.357 174.700 -0.020 0.000 1.048 340 T CA 1.486 63.658 62.100 0.120 0.000 1.139 340 T CB -0.281 68.737 68.868 0.251 0.000 0.874 340 T HN 0.362 nan 8.240 nan 0.000 0.455 341 E N 1.258 121.425 120.200 -0.054 0.000 2.058 341 E HA -0.102 4.248 4.350 0.000 0.000 0.194 341 E C 2.544 179.015 176.600 -0.215 0.000 0.997 341 E CA 1.108 57.449 56.400 -0.098 0.000 0.801 341 E CB -0.244 29.410 29.700 -0.077 0.000 0.746 341 E HN 0.468 nan 8.360 nan 0.000 0.450 342 A N 1.304 123.934 122.820 -0.317 0.000 1.858 342 A HA -0.219 4.101 4.320 0.000 0.000 0.216 342 A C 2.180 179.306 177.584 -0.763 0.000 1.190 342 A CA 1.508 53.192 52.037 -0.589 0.000 0.617 342 A CB -0.430 18.244 19.000 -0.543 0.000 0.827 342 A HN 0.126 nan 8.150 nan 0.000 0.443 343 M N -0.210 119.062 119.600 -0.547 0.000 2.106 343 M HA -0.144 4.336 4.480 0.000 0.000 0.259 343 M C 2.193 178.428 176.300 -0.109 0.000 1.068 343 M CA 2.198 57.313 55.300 -0.308 0.000 1.100 343 M CB -1.997 30.344 32.600 -0.432 0.000 1.351 343 M HN 0.486 nan 8.290 nan 0.000 0.404 344 T N -0.203 114.289 114.554 -0.104 0.000 2.777 344 T HA -0.095 4.255 4.350 0.000 0.000 0.266 344 T C 1.965 176.622 174.700 -0.072 0.000 1.040 344 T CA 1.026 63.105 62.100 -0.034 0.000 1.141 344 T CB -0.184 68.671 68.868 -0.022 0.000 0.868 344 T HN 0.372 nan 8.240 nan 0.000 0.444 345 R N -0.007 120.387 120.500 -0.177 0.000 2.152 345 R HA -0.067 4.273 4.340 0.000 0.000 0.232 345 R C 1.595 177.861 176.300 -0.057 0.000 1.117 345 R CA 1.092 57.094 56.100 -0.164 0.000 0.981 345 R CB -0.235 29.907 30.300 -0.264 0.000 0.870 345 R HN 0.427 nan 8.270 nan 0.000 0.451 346 Y N -0.206 120.043 120.300 -0.085 0.000 2.490 346 Y HA 0.112 4.662 4.550 0.000 0.000 0.281 346 Y C 0.955 176.807 175.900 -0.079 0.000 1.174 346 Y CA -0.476 57.560 58.100 -0.107 0.000 1.295 346 Y CB -0.052 38.365 38.460 -0.071 0.000 1.062 346 Y HN -0.073 nan 8.280 nan 0.000 0.522 347 S N -0.187 115.562 115.700 0.081 0.000 3.858 347 S HA -0.136 4.334 4.470 0.000 0.000 0.356 347 S C 0.063 174.691 174.600 0.046 0.000 1.013 347 S CA 0.489 58.721 58.200 0.052 0.000 1.083 347 S CB -1.415 61.796 63.200 0.019 0.000 0.883 347 S HN 0.614 nan 8.310 nan 0.000 0.475 348 A N 1.616 124.493 122.820 0.095 0.000 3.355 348 A HA 0.580 4.900 4.320 0.000 0.000 0.290 348 A C -2.231 175.505 177.584 0.254 0.000 0.973 348 A CA -0.945 51.186 52.037 0.156 0.000 0.933 348 A CB 0.790 19.929 19.000 0.232 0.000 1.138 348 A HN 0.416 nan 8.150 nan 0.000 0.490 349 P HA 0.261 nan 4.420 nan 0.000 0.270 349 P C -2.855 174.513 177.300 0.113 0.000 1.223 349 P CA -0.878 62.300 63.100 0.129 0.000 0.785 349 P CB 0.418 32.122 31.700 0.008 0.000 0.923 350 P HA 0.134 nan 4.420 nan 0.000 0.279 350 P C 0.641 177.869 177.300 -0.120 0.000 1.252 350 P CA -0.067 62.920 63.100 -0.188 0.000 0.811 350 P CB 0.910 32.478 31.700 -0.221 0.000 1.035 351 G N 1.624 110.343 108.800 -0.135 0.000 2.658 351 G HA2 0.006 3.966 3.960 0.000 0.000 0.217 351 G HA3 0.006 3.966 3.960 0.000 0.000 0.217 351 G C -0.569 174.286 174.900 -0.076 0.000 1.319 351 G CA 0.123 45.177 45.100 -0.077 0.000 0.885 351 G HN 0.612 nan 8.290 nan 0.000 0.553 352 D N 2.131 122.485 120.400 -0.076 0.000 2.264 352 D HA 0.446 5.086 4.640 0.000 0.000 0.250 352 D C -2.432 173.821 176.300 -0.078 0.000 1.113 352 D CA -1.792 52.172 54.000 -0.060 0.000 0.871 352 D CB 1.049 41.825 40.800 -0.040 0.000 1.167 352 D HN 0.127 nan 8.370 nan 0.000 0.447 353 P HA 0.095 nan 4.420 nan 0.000 0.267 353 P C -2.320 174.970 177.300 -0.018 0.000 1.200 353 P CA -0.895 62.187 63.100 -0.029 0.000 0.772 353 P CB -0.336 31.359 31.700 -0.009 0.000 0.855 354 P HA 0.146 nan 4.420 nan 0.000 0.274 354 P C -0.577 176.710 177.300 -0.022 0.000 1.237 354 P CA 0.119 63.247 63.100 0.046 0.000 0.793 354 P CB 0.761 32.534 31.700 0.123 0.000 0.977 355 Q N 1.126 120.925 119.800 -0.001 0.000 2.347 355 Q HA 0.423 4.763 4.340 0.000 0.000 0.271 355 Q C -2.498 173.485 176.000 -0.028 0.000 1.064 355 Q CA -1.969 53.819 55.803 -0.024 0.000 0.800 355 Q CB 1.869 30.609 28.738 0.004 0.000 1.304 355 Q HN 0.325 nan 8.270 nan 0.000 0.438 356 P HA 0.129 nan 4.420 nan 0.000 0.271 356 P C -0.484 176.672 177.300 -0.240 0.000 1.216 356 P CA 0.067 63.071 63.100 -0.160 0.000 0.771 356 P CB 0.845 32.441 31.700 -0.174 0.000 0.864 357 E N 1.711 121.730 120.200 -0.302 0.000 2.248 357 E HA 0.225 4.576 4.350 0.000 0.000 0.267 357 E C -0.510 175.904 176.600 -0.310 0.000 0.877 357 E CA -0.417 55.843 56.400 -0.234 0.000 0.759 357 E CB 1.412 31.086 29.700 -0.044 0.000 1.182 357 E HN 0.411 nan 8.360 nan 0.000 0.418 358 Y N -0.278 120.175 120.300 0.254 0.000 2.445 358 Y HA 0.171 4.721 4.550 0.000 0.000 0.247 358 Y C 0.435 176.592 175.900 0.429 0.000 1.129 358 Y CA -0.352 57.948 58.100 0.334 0.000 1.251 358 Y CB 0.986 39.544 38.460 0.163 0.000 1.176 358 Y HN 0.233 nan 8.280 nan 0.000 0.522 359 D N 0.543 121.105 120.400 0.270 0.000 2.440 359 D HA 0.113 4.753 4.640 0.000 0.000 0.239 359 D C 0.851 176.928 176.300 -0.372 0.000 1.084 359 D CA -0.266 53.752 54.000 0.030 0.000 0.843 359 D CB 1.693 42.513 40.800 0.033 0.000 1.097 359 D HN 0.087 nan 8.370 nan 0.000 0.531 360 L N 4.439 125.091 121.223 -0.952 0.000 2.081 360 L HA -0.148 4.192 4.340 0.000 0.000 0.212 360 L C 1.602 178.125 176.870 -0.578 0.000 1.080 360 L CA 1.974 56.062 54.840 -1.254 0.000 0.754 360 L CB -0.276 40.824 42.059 -1.597 0.000 0.893 360 L HN 0.513 nan 8.230 nan 0.000 0.433 361 E N -0.846 119.131 120.200 -0.371 0.000 2.274 361 E HA -0.133 4.217 4.350 0.000 0.000 0.194 361 E C 1.927 178.432 176.600 -0.158 0.000 0.996 361 E CA 0.808 57.077 56.400 -0.218 0.000 0.840 361 E CB -0.145 29.474 29.700 -0.135 0.000 0.772 361 E HN 0.547 nan 8.360 nan 0.000 0.491 362 L N 0.925 122.058 121.223 -0.151 0.000 2.591 362 L HA 0.176 4.516 4.340 0.000 0.000 0.228 362 L C 0.700 177.514 176.870 -0.093 0.000 1.133 362 L CA -0.029 54.756 54.840 -0.091 0.000 0.880 362 L CB 0.045 42.076 42.059 -0.047 0.000 1.033 362 L HN 0.023 nan 8.230 nan 0.000 0.450 363 I N 0.183 120.666 120.570 -0.145 0.000 2.325 363 I HA 0.113 4.283 4.170 0.000 0.000 0.291 363 I C 0.099 176.162 176.117 -0.089 0.000 1.019 363 I CA 0.063 61.294 61.300 -0.114 0.000 1.302 363 I CB 1.432 39.336 38.000 -0.159 0.000 1.401 363 I HN -0.093 nan 8.210 nan 0.000 0.485 364 T N 5.214 119.740 114.554 -0.047 0.000 2.744 364 T HA 0.429 4.779 4.350 0.000 0.000 0.291 364 T C -0.104 174.587 174.700 -0.014 0.000 0.957 364 T CA -0.526 61.559 62.100 -0.024 0.000 1.002 364 T CB 0.825 69.689 68.868 -0.008 0.000 0.919 364 T HN 0.745 nan 8.240 nan 0.000 0.468 365 S N 0.987 116.681 115.700 -0.010 0.000 2.546 365 S HA 0.387 4.857 4.470 0.000 0.000 0.274 365 S C 0.033 174.643 174.600 0.017 0.000 1.121 365 S CA -0.839 57.356 58.200 -0.008 0.000 0.887 365 S CB 0.643 63.821 63.200 -0.037 0.000 1.094 365 S HN 0.875 nan 8.310 nan 0.000 0.474 366 C N 2.304 121.612 119.300 0.013 0.000 3.744 366 C HA -0.150 4.310 4.460 0.000 0.000 0.290 366 C C 1.373 176.435 174.990 0.121 0.000 1.385 366 C CA 0.795 59.846 59.018 0.054 0.000 2.099 366 C CB -3.310 24.455 27.740 0.041 0.000 1.359 366 C HN 1.608 nan 8.230 nan 0.000 0.629 367 S N -1.245 114.515 115.700 0.101 0.000 3.350 367 S HA -0.208 4.262 4.470 0.000 0.000 0.341 367 S C 0.332 175.014 174.600 0.138 0.000 1.176 367 S CA 1.279 59.547 58.200 0.114 0.000 0.972 367 S CB -0.714 62.571 63.200 0.143 0.000 0.953 367 S HN 1.016 nan 8.310 nan 0.000 0.565 368 S N 1.827 117.605 115.700 0.130 0.000 2.548 368 S HA 0.666 5.136 4.470 0.000 0.000 0.286 368 S C -0.358 174.274 174.600 0.053 0.000 1.098 368 S CA -1.050 57.244 58.200 0.157 0.000 0.930 368 S CB 1.655 65.012 63.200 0.262 0.000 1.070 368 S HN 0.567 nan 8.310 nan 0.000 0.480 369 N N 0.089 118.802 118.700 0.022 0.000 2.240 369 N HA 0.461 5.201 4.740 0.000 0.000 0.302 369 N C -0.974 174.473 175.510 -0.106 0.000 1.106 369 N CA -0.598 52.417 53.050 -0.057 0.000 0.778 369 N CB 1.185 39.629 38.487 -0.072 0.000 1.431 369 N HN 0.302 nan 8.380 nan 0.000 0.479 370 V N 0.736 120.555 119.914 -0.158 0.000 2.740 370 V HA 0.255 4.375 4.120 0.000 0.000 0.303 370 V C 0.644 176.602 176.094 -0.226 0.000 1.054 370 V CA 0.199 62.380 62.300 -0.198 0.000 1.106 370 V CB 0.798 32.486 31.823 -0.224 0.000 0.957 370 V HN 0.861 nan 8.190 nan 0.000 0.486 371 S N 2.264 117.758 115.700 -0.342 0.000 2.671 371 S HA 0.731 5.201 4.470 0.000 0.000 0.277 371 S C -1.314 173.150 174.600 -0.228 0.000 1.165 371 S CA -0.427 57.584 58.200 -0.315 0.000 0.822 371 S CB 2.056 65.005 63.200 -0.418 0.000 1.150 371 S HN 0.657 nan 8.310 nan 0.000 0.479 372 V N 1.384 121.255 119.914 -0.072 0.000 2.680 372 V HA 0.993 5.113 4.120 0.000 0.000 0.309 372 V C -0.235 175.817 176.094 -0.071 0.000 1.052 372 V CA 0.229 62.443 62.300 -0.144 0.000 0.908 372 V CB 1.218 32.817 31.823 -0.373 0.000 1.001 372 V HN 1.237 nan 8.190 nan 0.000 0.431 373 A N 4.262 126.911 122.820 -0.285 0.000 2.524 373 A HA 0.922 5.242 4.320 0.000 0.000 0.289 373 A C -1.610 175.494 177.584 -0.800 0.000 1.248 373 A CA -0.583 51.139 52.037 -0.525 0.000 0.712 373 A CB 1.614 20.142 19.000 -0.788 0.000 1.312 373 A HN 1.001 nan 8.150 nan 0.000 0.441 374 H N -0.009 118.701 119.070 -0.601 0.000 2.622 374 H HA 0.524 5.080 4.556 0.000 0.000 0.363 374 H C -0.643 174.284 175.328 -0.669 0.000 1.151 374 H CA -0.245 55.441 56.048 -0.604 0.000 1.184 374 H CB 1.490 30.889 29.762 -0.605 0.000 1.643 374 H HN 0.810 nan 8.280 nan 0.000 0.531 375 D N 0.808 121.088 120.400 -0.200 0.000 2.560 375 D HA 0.324 4.964 4.640 0.000 0.000 0.277 375 D C 1.415 177.823 176.300 0.179 0.000 1.194 375 D CA -0.282 53.695 54.000 -0.039 0.000 1.092 375 D CB -0.061 40.718 40.800 -0.034 0.000 1.169 375 D HN 0.491 nan 8.370 nan 0.000 0.607 376 A N -0.113 122.792 122.820 0.142 0.000 1.873 376 A HA -0.143 4.177 4.320 0.000 0.000 0.218 376 A C 1.902 179.559 177.584 0.121 0.000 1.193 376 A CA 2.872 54.990 52.037 0.135 0.000 0.629 376 A CB -1.265 17.787 19.000 0.087 0.000 0.826 376 A HN 0.667 nan 8.150 nan 0.000 0.447 377 S N -1.827 113.927 115.700 0.090 0.000 2.679 377 S HA 0.433 4.903 4.470 0.000 0.000 0.233 377 S C 1.239 175.885 174.600 0.076 0.000 0.951 377 S CA 0.861 59.102 58.200 0.068 0.000 0.973 377 S CB -0.290 62.938 63.200 0.046 0.000 0.778 377 S HN 1.973 nan 8.310 nan 0.000 0.477 378 G N 1.702 110.574 108.800 0.119 0.000 2.184 378 G HA2 -0.353 3.607 3.960 0.000 0.000 0.264 378 G HA3 -0.353 3.607 3.960 0.000 0.000 0.264 378 G C 0.051 175.021 174.900 0.115 0.000 0.975 378 G CA 0.441 45.611 45.100 0.116 0.000 0.642 378 G HN 0.712 nan 8.290 nan 0.000 0.536 379 K N 1.488 121.924 120.400 0.061 0.000 2.336 379 K HA 0.327 4.647 4.320 0.000 0.000 0.290 379 K C 1.015 177.587 176.600 -0.048 0.000 1.067 379 K CA -0.700 55.600 56.287 0.022 0.000 0.962 379 K CB 0.107 32.614 32.500 0.011 0.000 1.008 379 K HN 0.365 nan 8.250 nan 0.000 0.467 380 R N 1.786 122.236 120.500 -0.083 0.000 2.478 380 R HA -0.085 4.255 4.340 0.000 0.000 0.281 380 R C -0.128 175.972 176.300 -0.334 0.000 0.939 380 R CA 0.366 56.269 56.100 -0.328 0.000 1.120 380 R CB 0.385 30.489 30.300 -0.326 0.000 0.885 380 R HN 0.428 nan 8.270 nan 0.000 0.415 381 V N 4.756 124.401 119.914 -0.448 0.000 2.686 381 V HA 0.380 4.500 4.120 0.000 0.000 0.306 381 V C -1.414 174.503 176.094 -0.295 0.000 1.065 381 V CA -0.839 61.289 62.300 -0.287 0.000 0.894 381 V CB 1.484 33.208 31.823 -0.166 0.000 1.004 381 V HN 0.590 nan 8.190 nan 0.000 0.424 382 Y N 6.934 127.222 120.300 -0.020 0.000 2.301 382 Y HA 0.744 5.294 4.550 0.000 0.000 0.325 382 Y C 0.084 176.056 175.900 0.121 0.000 1.203 382 Y CA 0.209 58.312 58.100 0.005 0.000 1.255 382 Y CB 1.434 39.855 38.460 -0.065 0.000 1.232 382 Y HN 0.859 nan 8.280 nan 0.000 0.501 383 Y N -0.918 119.441 120.300 0.098 0.000 2.670 383 Y HA 0.729 5.279 4.550 0.000 0.000 0.334 383 Y C -2.191 173.769 175.900 0.099 0.000 1.185 383 Y CA -2.149 55.994 58.100 0.071 0.000 1.053 383 Y CB 0.703 39.178 38.460 0.025 0.000 1.298 383 Y HN 0.410 nan 8.280 nan 0.000 0.459 384 L N 2.201 123.485 121.223 0.100 0.000 2.307 384 L HA 0.761 5.101 4.340 0.000 0.000 0.282 384 L C 0.172 177.211 176.870 0.281 0.000 1.051 384 L CA -0.440 54.449 54.840 0.081 0.000 0.804 384 L CB 1.853 44.001 42.059 0.148 0.000 1.197 384 L HN 0.977 nan 8.230 nan 0.000 0.431 385 T N 2.287 116.957 114.554 0.194 0.000 2.778 385 T HA 0.785 5.135 4.350 0.000 0.000 0.293 385 T C -1.365 173.432 174.700 0.162 0.000 1.144 385 T CA -0.667 61.613 62.100 0.300 0.000 1.010 385 T CB 1.753 70.786 68.868 0.276 0.000 1.325 385 T HN 0.805 nan 8.240 nan 0.000 0.515 386 R N 0.564 121.103 120.500 0.066 0.000 2.733 386 R HA 0.481 4.821 4.340 0.000 0.000 0.272 386 R C -1.466 174.640 176.300 -0.322 0.000 1.029 386 R CA -0.999 55.023 56.100 -0.131 0.000 0.888 386 R CB 0.486 30.672 30.300 -0.190 0.000 1.251 386 R HN 0.525 nan 8.270 nan 0.000 0.464 387 D N 1.925 122.152 120.400 -0.287 0.000 2.434 387 D HA 0.045 4.685 4.640 0.000 0.000 0.252 387 D C -1.404 174.538 176.300 -0.596 0.000 1.185 387 D CA -1.193 52.597 54.000 -0.351 0.000 0.886 387 D CB 1.247 41.928 40.800 -0.199 0.000 1.148 387 D HN 0.330 nan 8.370 nan 0.000 0.483 388 P HA 0.027 nan 4.420 nan 0.000 0.253 388 P C 1.081 178.053 177.300 -0.547 0.000 1.260 388 P CA 0.082 62.493 63.100 -1.150 0.000 0.800 388 P CB 0.286 31.174 31.700 -1.352 0.000 1.162 389 T N -0.287 114.069 114.554 -0.330 0.000 2.652 389 T HA -0.132 4.218 4.350 0.000 0.000 0.267 389 T C 1.699 176.342 174.700 -0.096 0.000 1.039 389 T CA 2.398 64.406 62.100 -0.154 0.000 1.153 389 T CB -1.112 67.707 68.868 -0.081 0.000 0.863 389 T HN 0.211 nan 8.240 nan 0.000 0.428 390 T N 2.163 116.664 114.554 -0.088 0.000 2.737 390 T HA -0.035 4.315 4.350 0.000 0.000 0.265 390 T C -0.529 174.142 174.700 -0.048 0.000 1.038 390 T CA 1.039 63.120 62.100 -0.031 0.000 1.144 390 T CB -1.341 67.548 68.868 0.035 0.000 0.866 390 T HN 0.324 nan 8.240 nan 0.000 0.434 391 P HA -0.036 nan 4.420 nan 0.000 0.216 391 P C 1.390 178.739 177.300 0.082 0.000 1.150 391 P CA 1.003 64.117 63.100 0.022 0.000 0.843 391 P CB -0.171 31.513 31.700 -0.027 0.000 0.787 392 L N -1.803 119.423 121.223 0.006 0.000 2.162 392 L HA 0.011 4.351 4.340 0.000 0.000 0.205 392 L C 2.459 179.375 176.870 0.078 0.000 1.086 392 L CA 1.042 55.911 54.840 0.049 0.000 0.778 392 L CB -1.073 40.975 42.059 -0.019 0.000 0.928 392 L HN -0.083 nan 8.230 nan 0.000 0.446 393 A N 0.451 123.305 122.820 0.057 0.000 1.940 393 A HA -0.215 4.105 4.320 0.000 0.000 0.219 393 A C 2.379 180.037 177.584 0.123 0.000 1.176 393 A CA 1.597 53.688 52.037 0.089 0.000 0.631 393 A CB -0.414 18.619 19.000 0.055 0.000 0.814 393 A HN 0.330 nan 8.150 nan 0.000 0.446 394 R N -0.890 119.662 120.500 0.087 0.000 2.093 394 R HA 0.089 4.429 4.340 0.000 0.000 0.224 394 R C 2.498 178.956 176.300 0.263 0.000 1.101 394 R CA 0.926 57.093 56.100 0.112 0.000 0.979 394 R CB -0.393 29.913 30.300 0.011 0.000 0.877 394 R HN 0.484 nan 8.270 nan 0.000 0.441 395 A N 1.406 124.405 122.820 0.299 0.000 1.940 395 A HA -0.159 4.162 4.320 0.000 0.000 0.219 395 A C 2.334 180.135 177.584 0.361 0.000 1.176 395 A CA 1.814 54.129 52.037 0.464 0.000 0.631 395 A CB -0.586 18.709 19.000 0.491 0.000 0.814 395 A HN 0.397 nan 8.150 nan 0.000 0.446 396 A N -1.393 121.561 122.820 0.223 0.000 1.898 396 A HA -0.158 4.162 4.320 0.000 0.000 0.216 396 A C 2.091 179.785 177.584 0.184 0.000 1.181 396 A CA 1.340 53.468 52.037 0.151 0.000 0.620 396 A CB -0.849 18.226 19.000 0.124 0.000 0.819 396 A HN 0.825 nan 8.150 nan 0.000 0.442 397 W N 1.108 122.451 121.300 0.072 0.000 2.335 397 W HA -0.159 4.501 4.660 0.000 0.000 0.311 397 W C 1.654 178.226 176.519 0.088 0.000 1.213 397 W CA 2.014 59.393 57.345 0.056 0.000 1.274 397 W CB -0.357 29.119 29.460 0.027 0.000 1.148 397 W HN 0.553 nan 8.180 nan 0.000 0.498 398 E N -0.903 119.563 120.200 0.444 0.000 2.347 398 E HA -0.122 4.228 4.350 0.000 0.000 0.196 398 E C 1.962 178.723 176.600 0.268 0.000 1.008 398 E CA 1.399 58.029 56.400 0.383 0.000 0.852 398 E CB -0.149 29.831 29.700 0.466 0.000 0.783 398 E HN 0.075 nan 8.360 nan 0.000 0.505 399 T N 0.267 114.957 114.554 0.227 0.000 2.867 399 T HA -0.078 4.272 4.350 0.000 0.000 0.268 399 T C 1.797 176.501 174.700 0.007 0.000 1.057 399 T CA 1.209 63.365 62.100 0.094 0.000 1.136 399 T CB 0.054 68.991 68.868 0.115 0.000 0.874 399 T HN 0.232 nan 8.240 nan 0.000 0.466 400 A N 0.323 123.128 122.820 -0.025 0.000 2.085 400 A HA 0.290 4.610 4.320 0.000 0.000 0.208 400 A C 1.122 178.674 177.584 -0.052 0.000 1.191 400 A CA 0.125 52.111 52.037 -0.087 0.000 0.799 400 A CB 0.399 19.280 19.000 -0.198 0.000 0.877 400 A HN 0.110 nan 8.150 nan 0.000 0.473 401 R N 0.293 120.786 120.500 -0.012 0.000 2.599 401 R HA 0.386 4.726 4.340 0.000 0.000 0.295 401 R C -1.562 174.840 176.300 0.169 0.000 0.963 401 R CA -0.625 55.537 56.100 0.103 0.000 0.883 401 R CB 0.786 31.170 30.300 0.139 0.000 1.171 401 R HN 0.385 nan 8.270 nan 0.000 0.450 402 H N 0.917 120.061 119.070 0.123 0.000 2.955 402 H HA 0.097 4.654 4.556 0.000 0.000 0.290 402 H C 0.353 175.760 175.328 0.132 0.000 1.047 402 H CA 0.637 56.763 56.048 0.130 0.000 1.484 402 H CB 0.531 30.346 29.762 0.089 0.000 1.501 402 H HN 0.476 nan 8.280 nan 0.000 0.521 403 T N 1.293 115.963 114.554 0.193 0.000 2.929 403 T HA 0.254 4.604 4.350 0.000 0.000 0.284 403 T C -1.480 173.244 174.700 0.039 0.000 1.014 403 T CA -2.020 60.152 62.100 0.120 0.000 1.051 403 T CB 1.729 70.659 68.868 0.103 0.000 1.028 403 T HN 0.261 nan 8.240 nan 0.000 0.485 404 P HA 0.082 nan 4.420 nan 0.000 0.216 404 P C -0.026 177.141 177.300 -0.222 0.000 1.153 404 P CA 0.311 63.304 63.100 -0.179 0.000 0.848 404 P CB 0.090 31.607 31.700 -0.305 0.000 0.787 405 V N 1.801 121.602 119.914 -0.188 0.000 2.398 405 V HA 0.196 4.316 4.120 0.000 0.000 0.286 405 V C -0.113 175.899 176.094 -0.136 0.000 1.026 405 V CA -0.822 61.379 62.300 -0.165 0.000 0.868 405 V CB 1.274 33.004 31.823 -0.156 0.000 0.982 405 V HN 0.049 nan 8.190 nan 0.000 0.443 406 N N 3.505 122.078 118.700 -0.212 0.000 2.439 406 N HA 0.052 4.792 4.740 0.000 0.000 0.243 406 N C 1.331 176.583 175.510 -0.430 0.000 1.088 406 N CA 0.185 53.026 53.050 -0.348 0.000 0.940 406 N CB 1.627 39.704 38.487 -0.684 0.000 1.180 406 N HN 0.809 nan 8.380 nan 0.000 0.505 407 S N 2.675 118.264 115.700 -0.184 0.000 2.399 407 S HA -0.120 4.350 4.470 0.000 0.000 0.231 407 S C 1.828 176.376 174.600 -0.086 0.000 1.022 407 S CA 0.222 58.361 58.200 -0.101 0.000 0.983 407 S CB -0.431 62.764 63.200 -0.008 0.000 0.803 407 S HN 0.798 nan 8.310 nan 0.000 0.480 408 W N 1.281 122.507 121.300 -0.124 0.000 2.342 408 W HA -0.087 4.573 4.660 0.000 0.000 0.297 408 W C 1.708 178.124 176.519 -0.173 0.000 1.213 408 W CA 0.608 57.833 57.345 -0.201 0.000 1.251 408 W CB -1.109 27.919 29.460 -0.720 0.000 1.136 408 W HN 0.370 nan 8.180 nan 0.000 0.526 409 L N 2.819 123.396 121.223 -1.077 0.000 2.072 409 L HA 0.157 4.498 4.340 0.000 0.000 0.205 409 L C 2.702 179.369 176.870 -0.337 0.000 1.079 409 L CA 2.767 57.049 54.840 -0.931 0.000 0.752 409 L CB -1.417 39.859 42.059 -1.304 0.000 0.906 409 L HN 0.054 nan 8.230 nan 0.000 0.436 410 G N -0.776 107.857 108.800 -0.277 0.000 2.432 410 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 410 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 410 G C 1.458 176.360 174.900 0.003 0.000 1.135 410 G CA 0.723 45.750 45.100 -0.122 0.000 0.767 410 G HN 0.429 nan 8.290 nan 0.000 0.550 411 N N 0.557 119.316 118.700 0.099 0.000 2.171 411 N HA 0.013 4.753 4.740 0.000 0.000 0.184 411 N C 2.257 177.896 175.510 0.214 0.000 1.021 411 N CA 0.542 53.777 53.050 0.309 0.000 0.854 411 N CB -0.147 38.607 38.487 0.445 0.000 0.994 411 N HN 0.320 nan 8.380 nan 0.000 0.426 412 I N 0.967 121.625 120.570 0.147 0.000 2.286 412 I HA -0.214 3.956 4.170 0.000 0.000 0.248 412 I C 2.007 178.167 176.117 0.071 0.000 1.115 412 I CA 0.893 62.261 61.300 0.113 0.000 1.392 412 I CB -0.146 37.988 38.000 0.223 0.000 1.065 412 I HN 0.052 nan 8.210 nan 0.000 0.418 413 I N -0.055 120.561 120.570 0.076 0.000 2.202 413 I HA -0.268 3.902 4.170 0.000 0.000 0.242 413 I C 2.428 178.651 176.117 0.177 0.000 1.091 413 I CA 1.226 62.602 61.300 0.125 0.000 1.368 413 I CB -0.162 37.904 38.000 0.110 0.000 1.058 413 I HN 0.213 nan 8.210 nan 0.000 0.410 414 M N -0.928 118.691 119.600 0.031 0.000 2.388 414 M HA -0.051 4.429 4.480 0.000 0.000 0.265 414 M C 1.041 177.206 176.300 -0.225 0.000 1.088 414 M CA 1.458 56.698 55.300 -0.100 0.000 1.134 414 M CB -0.511 31.894 32.600 -0.325 0.000 1.384 414 M HN 0.182 nan 8.290 nan 0.000 0.447 415 Y N -0.413 119.884 120.300 -0.006 0.000 2.681 415 Y HA 0.460 5.010 4.550 0.000 0.000 0.267 415 Y C 1.932 177.572 175.900 -0.433 0.000 1.166 415 Y CA -0.358 57.624 58.100 -0.196 0.000 1.209 415 Y CB -0.938 37.339 38.460 -0.304 0.000 1.161 415 Y HN 0.158 nan 8.280 nan 0.000 0.534 416 A N 1.084 123.694 122.820 -0.350 0.000 1.927 416 A HA -0.188 4.132 4.320 0.000 0.000 0.220 416 A C -0.358 176.933 177.584 -0.489 0.000 1.185 416 A CA 1.804 53.584 52.037 -0.428 0.000 0.639 416 A CB -1.453 17.274 19.000 -0.455 0.000 0.820 416 A HN 0.268 nan 8.150 nan 0.000 0.451 417 P HA 0.025 nan 4.420 nan 0.000 0.237 417 P C 0.644 177.666 177.300 -0.464 0.000 1.178 417 P CA 1.210 64.024 63.100 -0.478 0.000 0.766 417 P CB -0.402 31.036 31.700 -0.437 0.000 0.876 418 T N -2.080 112.211 114.554 -0.439 0.000 2.882 418 T HA 0.216 4.566 4.350 0.000 0.000 0.287 418 T C 1.190 175.496 174.700 -0.657 0.000 1.014 418 T CA -0.682 61.135 62.100 -0.471 0.000 1.049 418 T CB 0.695 69.145 68.868 -0.697 0.000 1.001 418 T HN -0.071 nan 8.240 nan 0.000 0.525 419 L N 0.706 121.453 121.223 -0.794 0.000 2.156 419 L HA 0.166 4.506 4.340 0.000 0.000 0.208 419 L C 2.367 178.921 176.870 -0.526 0.000 1.095 419 L CA 0.782 55.113 54.840 -0.849 0.000 0.770 419 L CB -1.221 40.122 42.059 -1.193 0.000 0.914 419 L HN 0.878 nan 8.230 nan 0.000 0.439 420 W N 0.283 121.365 121.300 -0.364 0.000 2.418 420 W HA 0.117 4.777 4.660 0.000 0.000 0.292 420 W C 2.054 178.427 176.519 -0.244 0.000 1.213 420 W CA 0.748 57.917 57.345 -0.293 0.000 1.283 420 W CB -1.243 28.082 29.460 -0.224 0.000 1.119 420 W HN 0.311 nan 8.180 nan 0.000 0.542 421 A N 1.794 124.156 122.820 -0.763 0.000 1.930 421 A HA -0.108 4.212 4.320 0.000 0.000 0.217 421 A C 2.250 179.663 177.584 -0.285 0.000 1.175 421 A CA 1.626 53.353 52.037 -0.517 0.000 0.627 421 A CB -0.734 17.818 19.000 -0.747 0.000 0.815 421 A HN 0.300 nan 8.150 nan 0.000 0.443 422 R N -1.096 119.155 120.500 -0.414 0.000 2.062 422 R HA 0.058 4.398 4.340 0.000 0.000 0.229 422 R C 2.247 178.337 176.300 -0.351 0.000 1.128 422 R CA 1.691 57.556 56.100 -0.391 0.000 0.960 422 R CB -0.305 29.611 30.300 -0.639 0.000 0.855 422 R HN 0.505 nan 8.270 nan 0.000 0.432 423 M N -0.412 118.856 119.600 -0.554 0.000 2.287 423 M HA 0.003 4.483 4.480 0.000 0.000 0.266 423 M C 1.936 178.126 176.300 -0.183 0.000 1.079 423 M CA 1.441 56.456 55.300 -0.474 0.000 1.146 423 M CB 0.146 32.396 32.600 -0.584 0.000 1.374 423 M HN 0.110 nan 8.290 nan 0.000 0.435 424 I N -0.599 119.723 120.570 -0.413 0.000 2.900 424 I HA -0.104 4.067 4.170 0.000 0.000 0.251 424 I C 2.089 178.033 176.117 -0.289 0.000 1.102 424 I CA 0.418 61.225 61.300 -0.822 0.000 1.457 424 I CB -0.216 37.263 38.000 -0.868 0.000 1.285 424 I HN 0.133 nan 8.210 nan 0.000 0.459 425 L N 0.232 121.458 121.223 0.005 0.000 2.017 425 L HA -0.202 4.138 4.340 0.000 0.000 0.208 425 L C 2.686 179.845 176.870 0.483 0.000 1.073 425 L CA 1.604 56.637 54.840 0.322 0.000 0.745 425 L CB -0.435 41.844 42.059 0.366 0.000 0.894 425 L HN 0.276 nan 8.230 nan 0.000 0.432 426 M N -0.877 118.962 119.600 0.398 0.000 2.086 426 M HA -0.191 4.289 4.480 0.000 0.000 0.261 426 M C 2.319 179.124 176.300 0.841 0.000 1.067 426 M CA 2.072 57.717 55.300 0.575 0.000 1.116 426 M CB -0.604 32.141 32.600 0.241 0.000 1.348 426 M HN 0.263 nan 8.290 nan 0.000 0.407 427 T N -1.484 113.528 114.554 0.763 0.000 2.737 427 T HA -0.206 4.144 4.350 0.000 0.000 0.265 427 T C 1.629 176.647 174.700 0.530 0.000 1.038 427 T CA 1.768 64.316 62.100 0.747 0.000 1.144 427 T CB -0.499 68.841 68.868 0.787 0.000 0.866 427 T HN 0.454 nan 8.240 nan 0.000 0.434 428 H N 0.375 119.641 119.070 0.328 0.000 2.293 428 H HA 0.011 4.567 4.556 0.000 0.000 0.300 428 H C 1.722 176.951 175.328 -0.164 0.000 1.082 428 H CA 1.561 57.660 56.048 0.084 0.000 1.308 428 H CB -0.476 29.203 29.762 -0.139 0.000 1.375 428 H HN 0.341 nan 8.280 nan 0.000 0.495 429 F N -1.188 118.737 119.950 -0.042 0.000 2.293 429 F HA 0.014 4.541 4.527 0.000 0.000 0.297 429 F C 1.894 177.528 175.800 -0.277 0.000 1.089 429 F CA 0.471 58.214 58.000 -0.428 0.000 1.377 429 F CB -0.418 38.022 39.000 -0.932 0.000 1.051 429 F HN 0.140 nan 8.300 nan 0.000 0.511 430 F N -0.665 119.401 119.950 0.193 0.000 2.234 430 F HA -0.170 4.357 4.527 0.000 0.000 0.299 430 F C 2.712 178.540 175.800 0.046 0.000 1.087 430 F CA 1.387 59.498 58.000 0.185 0.000 1.340 430 F CB -0.802 38.403 39.000 0.343 0.000 1.031 430 F HN -0.089 nan 8.300 nan 0.000 0.500 431 S N 0.408 116.186 115.700 0.130 0.000 2.368 431 S HA -0.167 4.303 4.470 0.000 0.000 0.225 431 S C 2.104 176.658 174.600 -0.078 0.000 1.030 431 S CA 1.355 59.555 58.200 0.000 0.000 0.999 431 S CB -0.432 62.750 63.200 -0.029 0.000 0.844 431 S HN 0.342 nan 8.310 nan 0.000 0.459 432 I N 1.198 121.656 120.570 -0.186 0.000 2.202 432 I HA -0.143 4.028 4.170 0.000 0.000 0.242 432 I C 2.247 178.307 176.117 -0.094 0.000 1.091 432 I CA 1.011 62.190 61.300 -0.202 0.000 1.368 432 I CB -0.326 37.464 38.000 -0.350 0.000 1.058 432 I HN 0.311 nan 8.210 nan 0.000 0.410 433 L N 0.134 121.312 121.223 -0.076 0.000 2.046 433 L HA -0.233 4.107 4.340 0.000 0.000 0.208 433 L C 2.563 179.445 176.870 0.020 0.000 1.077 433 L CA 1.367 56.192 54.840 -0.024 0.000 0.747 433 L CB -0.563 41.455 42.059 -0.070 0.000 0.896 433 L HN 0.287 nan 8.230 nan 0.000 0.432 434 L N -0.224 121.022 121.223 0.039 0.000 1.994 434 L HA -0.213 4.127 4.340 0.000 0.000 0.208 434 L C 2.892 179.770 176.870 0.015 0.000 1.071 434 L CA 1.349 56.215 54.840 0.044 0.000 0.745 434 L CB -0.694 41.393 42.059 0.047 0.000 0.892 434 L HN 0.238 nan 8.230 nan 0.000 0.431 435 A N -1.043 121.772 122.820 -0.008 0.000 1.978 435 A HA -0.208 4.112 4.320 0.000 0.000 0.220 435 A C 2.093 179.675 177.584 -0.002 0.000 1.170 435 A CA 1.447 53.475 52.037 -0.015 0.000 0.636 435 A CB -0.255 18.723 19.000 -0.035 0.000 0.810 435 A HN 0.441 nan 8.150 nan 0.000 0.448 436 Q N -0.915 118.888 119.800 0.005 0.000 2.319 436 Q HA 0.097 4.437 4.340 0.000 0.000 0.202 436 Q C -0.448 175.571 176.000 0.031 0.000 0.896 436 Q CA 0.300 56.116 55.803 0.021 0.000 0.942 436 Q CB 0.105 28.862 28.738 0.031 0.000 1.083 436 Q HN 0.780 nan 8.270 nan 0.000 0.510 437 E N 0.789 121.007 120.200 0.031 0.000 2.228 437 E HA -0.251 4.099 4.350 0.000 0.000 0.213 437 E C -0.344 176.286 176.600 0.050 0.000 1.282 437 E CA 0.276 56.700 56.400 0.040 0.000 0.707 437 E CB -1.061 28.660 29.700 0.033 0.000 1.150 437 E HN 0.407 nan 8.360 nan 0.000 0.362 438 Q N -0.314 119.519 119.800 0.055 0.000 2.155 438 Q HA 0.224 4.564 4.340 0.000 0.000 0.273 438 Q C 1.468 177.510 176.000 0.071 0.000 0.857 438 Q CA -0.263 55.579 55.803 0.066 0.000 1.116 438 Q CB 0.516 29.299 28.738 0.076 0.000 1.209 438 Q HN 0.383 nan 8.270 nan 0.000 0.460 439 L N -0.101 121.168 121.223 0.077 0.000 2.131 439 L HA -0.169 4.171 4.340 0.000 0.000 0.210 439 L C 1.775 178.706 176.870 0.102 0.000 1.092 439 L CA 1.201 56.101 54.840 0.099 0.000 0.759 439 L CB 0.097 42.240 42.059 0.142 0.000 0.903 439 L HN 0.245 nan 8.230 nan 0.000 0.435 440 E N -0.060 120.193 120.200 0.087 0.000 2.481 440 E HA -0.042 4.308 4.350 0.000 0.000 0.195 440 E C 0.634 177.280 176.600 0.077 0.000 1.047 440 E CA 0.171 56.619 56.400 0.080 0.000 0.867 440 E CB 0.224 29.964 29.700 0.067 0.000 0.858 440 E HN 0.069 nan 8.360 nan 0.000 0.513 441 K N 0.858 121.307 120.400 0.081 0.000 2.316 441 K HA 0.313 4.633 4.320 0.000 0.000 0.289 441 K C -0.772 175.881 176.600 0.088 0.000 1.070 441 K CA -0.292 56.045 56.287 0.083 0.000 0.928 441 K CB 0.688 33.242 32.500 0.091 0.000 1.039 441 K HN 0.025 nan 8.250 nan 0.000 0.480 442 A N 5.540 128.411 122.820 0.084 0.000 2.488 442 A HA 0.258 4.578 4.320 0.000 0.000 0.249 442 A C -0.411 177.224 177.584 0.085 0.000 1.083 442 A CA -0.075 52.013 52.037 0.085 0.000 0.768 442 A CB 0.093 19.147 19.000 0.089 0.000 1.017 442 A HN 0.771 nan 8.150 nan 0.000 0.496 443 L N 2.216 123.476 121.223 0.063 0.000 2.362 443 L HA 0.392 4.732 4.340 0.000 0.000 0.271 443 L C -0.847 176.026 176.870 0.005 0.000 1.002 443 L CA -1.011 53.847 54.840 0.030 0.000 0.818 443 L CB 2.106 44.156 42.059 -0.015 0.000 1.298 443 L HN 0.588 nan 8.230 nan 0.000 0.420 444 D N 1.422 121.824 120.400 0.003 0.000 2.210 444 D HA 0.483 5.123 4.640 0.000 0.000 0.249 444 D C -0.582 175.664 176.300 -0.091 0.000 1.078 444 D CA 0.008 54.017 54.000 0.015 0.000 0.875 444 D CB 1.532 42.373 40.800 0.068 0.000 1.175 444 D HN 0.576 nan 8.370 nan 0.000 0.440 445 C N 0.586 119.844 119.300 -0.071 0.000 3.171 445 C HA 0.611 5.071 4.460 0.000 0.000 0.308 445 C C -0.828 174.131 174.990 -0.051 0.000 1.334 445 C CA -0.930 58.013 59.018 -0.125 0.000 1.473 445 C CB 1.396 29.005 27.740 -0.219 0.000 1.866 445 C HN 0.477 nan 8.230 nan 0.000 0.465 446 Q N 1.011 120.774 119.800 -0.062 0.000 2.325 446 Q HA 0.686 5.026 4.340 0.000 0.000 0.262 446 Q C -1.184 174.797 176.000 -0.032 0.000 0.968 446 Q CA -0.123 55.669 55.803 -0.018 0.000 0.877 446 Q CB 1.737 30.466 28.738 -0.015 0.000 1.253 446 Q HN 0.730 nan 8.270 nan 0.000 0.448 447 I N 3.148 123.707 120.570 -0.018 0.000 2.447 447 I HA 0.166 4.336 4.170 0.000 0.000 0.287 447 I C -0.935 175.182 176.117 -0.000 0.000 1.023 447 I CA -0.724 60.477 61.300 -0.165 0.000 1.083 447 I CB 1.107 38.756 38.000 -0.584 0.000 1.245 447 I HN 0.634 nan 8.210 nan 0.000 0.434 448 Y N 5.088 125.413 120.300 0.042 0.000 3.589 448 Y HA -0.255 4.295 4.550 0.000 0.000 0.218 448 Y C 1.465 177.299 175.900 -0.111 0.000 1.234 448 Y CA 0.994 59.084 58.100 -0.016 0.000 1.576 448 Y CB -2.089 36.358 38.460 -0.022 0.000 1.487 448 Y HN 0.978 nan 8.280 nan 0.000 0.616 449 G N -2.106 106.763 108.800 0.115 0.000 2.284 449 G HA2 -0.045 3.915 3.960 0.000 0.000 0.247 449 G HA3 -0.045 3.915 3.960 0.000 0.000 0.247 449 G C 0.511 175.435 174.900 0.040 0.000 1.012 449 G CA 0.230 45.364 45.100 0.057 0.000 0.618 449 G HN 1.591 nan 8.290 nan 0.000 0.521 450 A N -0.367 122.484 122.820 0.052 0.000 2.316 450 A HA 0.621 4.942 4.320 0.000 0.000 0.284 450 A C 0.709 178.125 177.584 -0.280 0.000 1.115 450 A CA 0.503 52.428 52.037 -0.187 0.000 0.812 450 A CB 0.847 19.659 19.000 -0.314 0.000 1.064 450 A HN 1.513 nan 8.150 nan 0.000 0.489 451 C N 2.405 121.472 119.300 -0.388 0.000 2.369 451 C HA 0.715 5.175 4.460 0.000 0.000 0.358 451 C C -1.000 173.643 174.990 -0.578 0.000 1.274 451 C CA -0.403 58.480 59.018 -0.226 0.000 1.935 451 C CB -1.306 26.497 27.740 0.104 0.000 2.431 451 C HN 0.643 nan 8.230 nan 0.000 0.545 452 Y N 3.237 123.409 120.300 -0.214 0.000 2.391 452 Y HA 0.390 4.940 4.550 0.000 0.000 0.341 452 Y C 0.421 176.252 175.900 -0.115 0.000 0.965 452 Y CA -0.321 57.618 58.100 -0.269 0.000 1.067 452 Y CB 1.738 39.966 38.460 -0.387 0.000 1.199 452 Y HN 0.616 nan 8.280 nan 0.000 0.450 453 S N 4.459 120.175 115.700 0.026 0.000 2.465 453 S HA 0.645 5.115 4.470 0.000 0.000 0.279 453 S C -0.771 173.906 174.600 0.128 0.000 1.201 453 S CA -0.209 58.055 58.200 0.107 0.000 1.053 453 S CB -0.404 62.874 63.200 0.131 0.000 0.953 453 S HN 0.553 nan 8.310 nan 0.000 0.488 454 I N 3.937 124.572 120.570 0.108 0.000 2.545 454 I HA 0.333 4.503 4.170 0.000 0.000 0.292 454 I C -0.098 176.070 176.117 0.085 0.000 1.040 454 I CA -0.545 60.825 61.300 0.116 0.000 1.068 454 I CB 2.149 40.219 38.000 0.117 0.000 1.251 454 I HN 0.565 nan 8.210 nan 0.000 0.424 455 E N 7.141 127.396 120.200 0.090 0.000 2.180 455 E HA 0.139 4.489 4.350 0.000 0.000 0.283 455 E C -1.725 174.939 176.600 0.108 0.000 1.061 455 E CA -1.511 54.943 56.400 0.089 0.000 0.861 455 E CB 1.045 30.793 29.700 0.081 0.000 1.056 455 E HN 0.307 nan 8.360 nan 0.000 0.407 456 P HA -0.198 nan 4.420 nan 0.000 0.217 456 P C 0.982 178.446 177.300 0.274 0.000 1.148 456 P CA 1.164 64.359 63.100 0.158 0.000 0.834 456 P CB 0.213 31.955 31.700 0.069 0.000 0.783 457 L N -1.166 120.188 121.223 0.219 0.000 2.465 457 L HA -0.064 4.276 4.340 0.000 0.000 0.224 457 L C 1.254 178.216 176.870 0.154 0.000 1.145 457 L CA 0.977 55.952 54.840 0.223 0.000 0.834 457 L CB -0.551 41.606 42.059 0.164 0.000 0.944 457 L HN -0.073 nan 8.230 nan 0.000 0.451 458 D N -0.307 120.167 120.400 0.123 0.000 2.340 458 D HA 0.033 4.673 4.640 0.000 0.000 0.220 458 D C 2.154 178.501 176.300 0.079 0.000 1.039 458 D CA 0.290 54.330 54.000 0.066 0.000 0.866 458 D CB 0.384 41.203 40.800 0.031 0.000 0.913 458 D HN 0.281 nan 8.370 nan 0.000 0.523 459 L N 0.884 122.203 121.223 0.160 0.000 2.046 459 L HA -0.129 4.211 4.340 0.000 0.000 0.208 459 L C -0.485 176.484 176.870 0.166 0.000 1.077 459 L CA 1.401 56.354 54.840 0.188 0.000 0.747 459 L CB -1.295 40.953 42.059 0.316 0.000 0.896 459 L HN 0.040 nan 8.230 nan 0.000 0.432 460 P HA -0.183 nan 4.420 nan 0.000 0.215 460 P C 1.352 178.702 177.300 0.083 0.000 1.153 460 P CA 1.207 64.356 63.100 0.082 0.000 0.853 460 P CB 0.054 31.628 31.700 -0.210 0.000 0.788 461 Q N -0.739 119.048 119.800 -0.023 0.000 2.084 461 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 461 Q C 2.182 178.163 176.000 -0.032 0.000 0.978 461 Q CA 1.328 57.102 55.803 -0.049 0.000 0.844 461 Q CB -0.939 27.750 28.738 -0.081 0.000 0.898 461 Q HN 0.253 nan 8.270 nan 0.000 0.426 462 I N 0.031 120.584 120.570 -0.028 0.000 2.179 462 I HA -0.282 3.888 4.170 0.000 0.000 0.242 462 I C 2.042 178.169 176.117 0.016 0.000 1.088 462 I CA 1.203 62.457 61.300 -0.077 0.000 1.357 462 I CB -0.250 37.717 38.000 -0.054 0.000 1.051 462 I HN 0.189 nan 8.210 nan 0.000 0.409 463 I N 0.438 121.080 120.570 0.120 0.000 2.226 463 I HA -0.312 3.858 4.170 0.000 0.000 0.245 463 I C 2.648 178.806 176.117 0.067 0.000 1.100 463 I CA 1.483 62.883 61.300 0.167 0.000 1.374 463 I CB -0.448 37.613 38.000 0.101 0.000 1.057 463 I HN 0.313 nan 8.210 nan 0.000 0.413 464 E N 1.212 121.470 120.200 0.097 0.000 2.070 464 E HA -0.272 4.078 4.350 0.000 0.000 0.197 464 E C 2.383 178.981 176.600 -0.003 0.000 1.004 464 E CA 1.316 57.758 56.400 0.071 0.000 0.805 464 E CB 0.059 29.846 29.700 0.145 0.000 0.744 464 E HN 0.313 nan 8.360 nan 0.000 0.451 465 R N -0.184 120.297 120.500 -0.031 0.000 2.096 465 R HA -0.121 4.220 4.340 0.000 0.000 0.235 465 R C 2.344 178.584 176.300 -0.100 0.000 1.127 465 R CA 0.803 56.862 56.100 -0.068 0.000 0.968 465 R CB -0.462 29.773 30.300 -0.108 0.000 0.861 465 R HN 0.264 nan 8.270 nan 0.000 0.440 466 L N -0.735 120.397 121.223 -0.151 0.000 2.307 466 L HA 0.004 4.344 4.340 0.000 0.000 0.211 466 L C 1.753 178.274 176.870 -0.583 0.000 1.099 466 L CA 1.400 56.021 54.840 -0.366 0.000 0.816 466 L CB -0.232 41.570 42.059 -0.430 0.000 0.952 466 L HN 0.230 nan 8.230 nan 0.000 0.455 467 H N -2.188 116.814 119.070 -0.113 0.000 3.400 467 H HA 0.488 5.044 4.556 0.000 0.000 0.251 467 H C 0.978 176.227 175.328 -0.131 0.000 1.040 467 H CA 0.606 56.575 56.048 -0.133 0.000 1.175 467 H CB 0.919 30.571 29.762 -0.183 0.000 1.487 467 H HN 0.134 nan 8.280 nan 0.000 0.505 468 G N 1.221 110.008 108.800 -0.022 0.000 2.746 468 G HA2 -0.221 3.739 3.960 0.000 0.000 0.685 468 G HA3 -0.221 3.739 3.960 0.000 0.000 0.685 468 G C 0.621 175.475 174.900 -0.076 0.000 1.350 468 G CA -0.139 44.944 45.100 -0.027 0.000 0.837 468 G HN 0.173 nan 8.290 nan 0.000 0.564 469 L N 0.684 121.923 121.223 0.027 0.000 2.191 469 L HA -0.119 4.221 4.340 0.000 0.000 0.212 469 L C 3.133 180.021 176.870 0.029 0.000 1.103 469 L CA 1.921 56.846 54.840 0.141 0.000 0.769 469 L CB -0.674 41.531 42.059 0.244 0.000 0.908 469 L HN 0.713 nan 8.230 nan 0.000 0.438 470 S N 0.573 116.257 115.700 -0.027 0.000 2.399 470 S HA -0.345 4.125 4.470 0.000 0.000 0.235 470 S C 2.194 176.708 174.600 -0.145 0.000 1.063 470 S CA 1.550 59.712 58.200 -0.063 0.000 1.070 470 S CB -0.514 62.636 63.200 -0.082 0.000 0.904 470 S HN 0.583 nan 8.310 nan 0.000 0.456 471 A N 0.695 123.335 122.820 -0.300 0.000 2.024 471 A HA -0.051 4.269 4.320 0.000 0.000 0.220 471 A C 1.668 179.037 177.584 -0.358 0.000 1.164 471 A CA 1.417 53.185 52.037 -0.448 0.000 0.643 471 A CB -0.747 17.861 19.000 -0.653 0.000 0.806 471 A HN 0.518 nan 8.150 nan 0.000 0.451 472 F N -0.321 119.641 119.950 0.021 0.000 2.789 472 F HA 0.128 4.655 4.527 0.000 0.000 0.300 472 F C 1.711 177.562 175.800 0.084 0.000 1.132 472 F CA 0.816 58.859 58.000 0.073 0.000 1.404 472 F CB 0.086 39.171 39.000 0.143 0.000 1.114 472 F HN 0.087 nan 8.300 nan 0.000 0.584 473 S N -0.523 115.284 115.700 0.179 0.000 2.701 473 S HA 0.253 4.724 4.470 0.000 0.000 0.242 473 S C 0.200 174.877 174.600 0.129 0.000 1.025 473 S CA -0.243 58.056 58.200 0.165 0.000 1.016 473 S CB 0.245 63.534 63.200 0.148 0.000 0.977 473 S HN -0.083 nan 8.310 nan 0.000 0.546 474 L N 4.901 126.121 121.223 -0.005 0.000 2.453 474 L HA 0.330 4.670 4.340 0.000 0.000 0.272 474 L C 0.570 177.365 176.870 -0.125 0.000 1.182 474 L CA 0.753 55.471 54.840 -0.205 0.000 0.858 474 L CB -0.141 41.665 42.059 -0.422 0.000 1.120 474 L HN 0.450 nan 8.230 nan 0.000 0.474 475 H N 0.028 118.924 119.070 -0.291 0.000 2.933 475 H HA 0.373 4.929 4.556 0.000 0.000 0.310 475 H C -0.216 174.985 175.328 -0.212 0.000 1.351 475 H CA -0.574 55.374 56.048 -0.166 0.000 1.137 475 H CB 1.021 30.784 29.762 0.000 0.000 1.853 475 H HN 0.368 nan 8.280 nan 0.000 0.539 476 S N -0.612 115.145 115.700 0.096 0.000 3.706 476 S HA -0.219 4.251 4.470 0.000 0.000 0.363 476 S C -0.309 174.318 174.600 0.045 0.000 0.999 476 S CA 0.563 58.825 58.200 0.103 0.000 1.143 476 S CB -2.688 60.572 63.200 0.100 0.000 0.902 476 S HN 0.499 nan 8.310 nan 0.000 0.476 477 Y N 2.114 122.458 120.300 0.073 0.000 2.546 477 Y HA 0.210 4.760 4.550 0.000 0.000 0.351 477 Y C 1.401 177.354 175.900 0.089 0.000 1.266 477 Y CA 0.731 58.877 58.100 0.077 0.000 1.487 477 Y CB 0.317 38.816 38.460 0.064 0.000 1.365 477 Y HN 0.490 nan 8.280 nan 0.000 0.642 478 S N 2.487 118.343 115.700 0.260 0.000 2.584 478 S HA 0.193 4.663 4.470 0.000 0.000 0.273 478 S C -1.789 172.892 174.600 0.134 0.000 1.311 478 S CA -1.288 57.005 58.200 0.156 0.000 1.034 478 S CB 1.387 64.655 63.200 0.113 0.000 0.939 478 S HN 0.465 nan 8.310 nan 0.000 0.513 479 P HA -0.087 nan 4.420 nan 0.000 0.216 479 P C 1.654 178.992 177.300 0.063 0.000 1.150 479 P CA 1.946 65.091 63.100 0.076 0.000 0.843 479 P CB -0.619 31.117 31.700 0.060 0.000 0.787 480 G N 0.136 108.971 108.800 0.057 0.000 2.421 480 G HA2 -0.282 3.679 3.960 0.000 0.000 0.216 480 G HA3 -0.282 3.679 3.960 0.000 0.000 0.216 480 G C 1.701 176.627 174.900 0.043 0.000 1.171 480 G CA 1.054 46.178 45.100 0.040 0.000 0.775 480 G HN 0.298 nan 8.290 nan 0.000 0.543 481 E N 0.674 120.917 120.200 0.071 0.000 2.047 481 E HA -0.038 4.312 4.350 0.000 0.000 0.191 481 E C 2.430 179.070 176.600 0.068 0.000 0.987 481 E CA 0.775 57.227 56.400 0.087 0.000 0.799 481 E CB -0.451 29.351 29.700 0.170 0.000 0.752 481 E HN 0.467 nan 8.360 nan 0.000 0.449 482 I N 1.018 121.636 120.570 0.080 0.000 2.208 482 I HA -0.314 3.856 4.170 0.000 0.000 0.245 482 I C 1.967 178.105 176.117 0.035 0.000 1.097 482 I CA 1.179 62.511 61.300 0.053 0.000 1.363 482 I CB -0.416 37.631 38.000 0.078 0.000 1.051 482 I HN 0.184 nan 8.210 nan 0.000 0.413 483 N N 0.549 119.270 118.700 0.036 0.000 2.188 483 N HA -0.191 4.549 4.740 0.000 0.000 0.184 483 N C 1.917 177.431 175.510 0.007 0.000 1.018 483 N CA 1.120 54.184 53.050 0.023 0.000 0.858 483 N CB -0.377 38.125 38.487 0.024 0.000 0.989 483 N HN 0.365 nan 8.380 nan 0.000 0.426 484 R N 0.905 121.404 120.500 -0.002 0.000 2.075 484 R HA -0.021 4.319 4.340 0.000 0.000 0.232 484 R C 1.940 178.207 176.300 -0.055 0.000 1.126 484 R CA 0.840 56.922 56.100 -0.030 0.000 0.963 484 R CB -0.121 30.155 30.300 -0.040 0.000 0.858 484 R HN -0.060 nan 8.270 nan 0.000 0.435 485 V N 1.162 121.050 119.914 -0.043 0.000 2.237 485 V HA -0.260 3.860 4.120 0.000 0.000 0.245 485 V C 2.507 178.585 176.094 -0.026 0.000 1.046 485 V CA 2.067 64.336 62.300 -0.052 0.000 1.007 485 V CB -0.918 30.898 31.823 -0.013 0.000 0.638 485 V HN 0.570 nan 8.190 nan 0.000 0.445 486 A N -0.642 122.179 122.820 0.000 0.000 1.917 486 A HA -0.285 4.035 4.320 0.000 0.000 0.219 486 A C 2.565 180.158 177.584 0.016 0.000 1.182 486 A CA 2.494 54.542 52.037 0.019 0.000 0.633 486 A CB -0.935 18.082 19.000 0.028 0.000 0.819 486 A HN 0.502 nan 8.150 nan 0.000 0.448 487 S N -1.417 114.286 115.700 0.005 0.000 2.382 487 S HA -0.208 4.262 4.470 0.000 0.000 0.228 487 S C 2.057 176.658 174.600 0.002 0.000 1.027 487 S CA 1.560 59.763 58.200 0.005 0.000 0.991 487 S CB -0.946 62.253 63.200 -0.002 0.000 0.823 487 S HN 0.767 nan 8.310 nan 0.000 0.469 488 C N 1.463 120.748 119.300 -0.024 0.000 2.432 488 C HA 0.050 4.510 4.460 0.000 0.000 0.277 488 C C 2.490 177.479 174.990 -0.002 0.000 1.249 488 C CA 0.899 59.896 59.018 -0.035 0.000 1.725 488 C CB -1.687 25.991 27.740 -0.102 0.000 2.028 488 C HN 0.684 nan 8.230 nan 0.000 0.477 489 L N 0.482 121.708 121.223 0.006 0.000 2.046 489 L HA -0.134 4.206 4.340 0.000 0.000 0.208 489 L C 3.021 179.917 176.870 0.043 0.000 1.077 489 L CA 1.747 56.608 54.840 0.035 0.000 0.747 489 L CB -1.002 41.094 42.059 0.062 0.000 0.896 489 L HN 0.379 nan 8.230 nan 0.000 0.432 490 R N 0.476 121.006 120.500 0.049 0.000 2.080 490 R HA -0.205 4.135 4.340 0.000 0.000 0.236 490 R C 2.423 178.797 176.300 0.124 0.000 1.137 490 R CA 1.624 57.767 56.100 0.072 0.000 0.943 490 R CB -0.387 29.948 30.300 0.058 0.000 0.846 490 R HN 0.298 nan 8.270 nan 0.000 0.431 491 K N 0.535 120.996 120.400 0.103 0.000 2.032 491 K HA -0.174 4.146 4.320 0.000 0.000 0.209 491 K C 1.741 178.497 176.600 0.259 0.000 1.048 491 K CA 1.319 57.687 56.287 0.136 0.000 0.927 491 K CB 0.023 32.567 32.500 0.073 0.000 0.712 491 K HN 0.036 nan 8.250 nan 0.000 0.441 492 L N 0.058 121.374 121.223 0.154 0.000 2.509 492 L HA 0.160 4.500 4.340 0.000 0.000 0.222 492 L C 0.915 177.718 176.870 -0.111 0.000 1.123 492 L CA 1.456 56.366 54.840 0.117 0.000 0.856 492 L CB -0.227 41.868 42.059 0.060 0.000 0.985 492 L HN 0.527 nan 8.230 nan 0.000 0.456 493 G N 0.213 108.856 108.800 -0.261 0.000 2.256 493 G HA2 -0.208 3.752 3.960 0.000 0.000 0.272 493 G HA3 -0.208 3.752 3.960 0.000 0.000 0.272 493 G C 0.068 174.845 174.900 -0.205 0.000 1.076 493 G CA 0.276 45.048 45.100 -0.547 0.000 0.882 493 G HN 0.116 nan 8.290 nan 0.000 0.497 494 V N 0.822 120.714 119.914 -0.036 0.000 2.509 494 V HA 0.434 4.554 4.120 0.000 0.000 0.284 494 V C -1.198 174.988 176.094 0.153 0.000 1.047 494 V CA -1.573 60.792 62.300 0.108 0.000 0.952 494 V CB 1.545 33.461 31.823 0.155 0.000 0.988 494 V HN 0.224 nan 8.190 nan 0.000 0.469 495 P HA 0.131 nan 4.420 nan 0.000 0.267 495 P C -2.458 174.962 177.300 0.199 0.000 1.200 495 P CA -0.791 62.336 63.100 0.044 0.000 0.772 495 P CB -0.244 31.292 31.700 -0.274 0.000 0.855 496 P HA 0.006 nan 4.420 nan 0.000 0.269 496 P C 0.753 178.216 177.300 0.272 0.000 1.217 496 P CA 0.153 63.347 63.100 0.157 0.000 0.783 496 P CB 0.661 32.406 31.700 0.075 0.000 0.898 497 L N 0.874 122.270 121.223 0.288 0.000 2.362 497 L HA -0.144 4.196 4.340 0.000 0.000 0.219 497 L C 2.768 179.830 176.870 0.321 0.000 1.134 497 L CA 1.274 56.333 54.840 0.364 0.000 0.807 497 L CB -0.662 41.522 42.059 0.208 0.000 0.927 497 L HN 0.432 nan 8.230 nan 0.000 0.447 498 R N -0.858 119.763 120.500 0.203 0.000 2.115 498 R HA -0.082 4.258 4.340 0.000 0.000 0.230 498 R C 1.919 178.301 176.300 0.137 0.000 1.111 498 R CA 1.155 57.352 56.100 0.162 0.000 0.976 498 R CB -1.041 29.313 30.300 0.090 0.000 0.870 498 R HN 0.064 nan 8.270 nan 0.000 0.445 499 V N 0.466 120.405 119.914 0.042 0.000 2.358 499 V HA -0.180 3.940 4.120 0.000 0.000 0.246 499 V C 1.900 177.954 176.094 -0.067 0.000 1.047 499 V CA 1.754 63.992 62.300 -0.103 0.000 1.035 499 V CB -0.643 30.995 31.823 -0.309 0.000 0.658 499 V HN 0.394 nan 8.190 nan 0.000 0.452 500 W N 0.090 121.502 121.300 0.188 0.000 2.388 500 W HA -0.089 4.571 4.660 0.000 0.000 0.294 500 W C 2.737 179.470 176.519 0.357 0.000 1.212 500 W CA 1.337 58.836 57.345 0.257 0.000 1.271 500 W CB -0.285 29.323 29.460 0.247 0.000 1.126 500 W HN 0.045 nan 8.180 nan 0.000 0.535 501 R N -0.307 120.531 120.500 0.563 0.000 2.081 501 R HA -0.229 4.111 4.340 0.000 0.000 0.235 501 R C 2.092 178.522 176.300 0.216 0.000 1.131 501 R CA 2.118 58.489 56.100 0.452 0.000 0.960 501 R CB -0.660 29.880 30.300 0.401 0.000 0.856 501 R HN 0.222 nan 8.270 nan 0.000 0.436 502 H N 0.192 119.321 119.070 0.098 0.000 2.293 502 H HA -0.037 4.519 4.556 0.000 0.000 0.300 502 H C 2.067 177.387 175.328 -0.013 0.000 1.082 502 H CA 2.242 58.297 56.048 0.013 0.000 1.308 502 H CB 0.116 29.868 29.762 -0.017 0.000 1.375 502 H HN 0.127 nan 8.280 nan 0.000 0.495 503 R N -0.275 120.256 120.500 0.051 0.000 2.081 503 R HA -0.087 4.254 4.340 0.000 0.000 0.235 503 R C 2.567 178.832 176.300 -0.058 0.000 1.131 503 R CA 1.109 57.203 56.100 -0.011 0.000 0.960 503 R CB -0.365 29.976 30.300 0.068 0.000 0.856 503 R HN 0.393 nan 8.270 nan 0.000 0.436 504 A N 1.211 124.045 122.820 0.024 0.000 1.933 504 A HA -0.176 4.144 4.320 0.000 0.000 0.218 504 A C 2.055 179.404 177.584 -0.391 0.000 1.175 504 A CA 1.206 53.140 52.037 -0.172 0.000 0.628 504 A CB -0.384 18.595 19.000 -0.034 0.000 0.814 504 A HN 0.223 nan 8.150 nan 0.000 0.444 505 R N -0.607 119.718 120.500 -0.292 0.000 2.083 505 R HA -0.142 4.198 4.340 0.000 0.000 0.237 505 R C 2.683 178.813 176.300 -0.284 0.000 1.137 505 R CA 1.643 57.572 56.100 -0.286 0.000 0.951 505 R CB -0.505 29.651 30.300 -0.240 0.000 0.851 505 R HN 0.595 nan 8.270 nan 0.000 0.434 506 S N 0.301 115.832 115.700 -0.281 0.000 2.348 506 S HA -0.117 4.353 4.470 0.000 0.000 0.221 506 S C 2.107 176.566 174.600 -0.236 0.000 1.033 506 S CA 1.454 59.513 58.200 -0.234 0.000 1.010 506 S CB -0.248 62.827 63.200 -0.208 0.000 0.891 506 S HN 0.123 nan 8.310 nan 0.000 0.442 507 V N 2.902 122.640 119.914 -0.294 0.000 2.252 507 V HA -0.230 3.890 4.120 0.000 0.000 0.249 507 V C 2.788 178.623 176.094 -0.433 0.000 1.056 507 V CA 2.493 64.575 62.300 -0.362 0.000 1.022 507 V CB -0.919 30.596 31.823 -0.513 0.000 0.641 507 V HN 0.539 nan 8.190 nan 0.000 0.445 508 R N 0.102 120.252 120.500 -0.584 0.000 2.094 508 R HA -0.225 4.116 4.340 0.000 0.000 0.239 508 R C 2.316 178.490 176.300 -0.209 0.000 1.137 508 R CA 2.017 57.883 56.100 -0.389 0.000 0.943 508 R CB -0.558 29.546 30.300 -0.327 0.000 0.850 508 R HN 0.491 nan 8.270 nan 0.000 0.433 509 A N 1.073 123.776 122.820 -0.195 0.000 1.883 509 A HA -0.189 4.131 4.320 0.000 0.000 0.217 509 A C 2.247 179.770 177.584 -0.102 0.000 1.186 509 A CA 1.677 53.634 52.037 -0.133 0.000 0.624 509 A CB -0.506 18.416 19.000 -0.130 0.000 0.822 509 A HN 0.408 nan 8.150 nan 0.000 0.444 510 R N -0.706 119.728 120.500 -0.110 0.000 2.081 510 R HA -0.050 4.290 4.340 0.000 0.000 0.235 510 R C 2.102 178.377 176.300 -0.042 0.000 1.131 510 R CA 1.500 57.557 56.100 -0.070 0.000 0.960 510 R CB -0.500 29.758 30.300 -0.070 0.000 0.856 510 R HN 0.525 nan 8.270 nan 0.000 0.436 511 L N 0.023 121.215 121.223 -0.051 0.000 2.017 511 L HA -0.211 4.129 4.340 0.000 0.000 0.208 511 L C 2.125 178.990 176.870 -0.007 0.000 1.073 511 L CA 0.846 55.684 54.840 -0.005 0.000 0.745 511 L CB -0.431 41.628 42.059 -0.001 0.000 0.894 511 L HN 0.135 nan 8.230 nan 0.000 0.432 512 L N -0.384 120.818 121.223 -0.034 0.000 2.013 512 L HA -0.256 4.084 4.340 0.000 0.000 0.212 512 L C 2.724 179.581 176.870 -0.022 0.000 1.073 512 L CA 1.749 56.571 54.840 -0.031 0.000 0.753 512 L CB -1.043 40.984 42.059 -0.052 0.000 0.890 512 L HN 0.157 nan 8.230 nan 0.000 0.432 513 S N -1.355 114.329 115.700 -0.027 0.000 2.402 513 S HA -0.295 4.175 4.470 0.000 0.000 0.233 513 S C 1.939 176.536 174.600 -0.006 0.000 1.030 513 S CA 1.290 59.478 58.200 -0.020 0.000 1.003 513 S CB -0.260 62.925 63.200 -0.025 0.000 0.813 513 S HN 0.443 nan 8.310 nan 0.000 0.477 514 Q N 0.461 120.263 119.800 0.003 0.000 2.119 514 Q HA 0.201 4.541 4.340 0.000 0.000 0.201 514 Q C 1.075 177.086 176.000 0.019 0.000 0.972 514 Q CA 0.885 56.699 55.803 0.017 0.000 0.847 514 Q CB -0.335 28.424 28.738 0.035 0.000 0.903 514 Q HN 0.578 nan 8.270 nan 0.000 0.433 515 G N -2.334 106.476 108.800 0.017 0.000 2.760 515 G HA2 0.106 4.066 3.960 0.000 0.000 0.246 515 G HA3 0.106 4.066 3.960 0.000 0.000 0.246 515 G C 0.461 175.379 174.900 0.029 0.000 1.359 515 G CA -0.443 44.667 45.100 0.018 0.000 0.861 515 G HN 1.022 nan 8.290 nan 0.000 0.541 516 G N -0.484 108.332 108.800 0.027 0.000 2.594 516 G HA2 -0.257 3.703 3.960 0.000 0.000 0.297 516 G HA3 -0.257 3.703 3.960 0.000 0.000 0.297 516 G C 1.276 176.201 174.900 0.042 0.000 1.273 516 G CA 1.459 46.578 45.100 0.032 0.000 0.974 516 G HN 1.542 nan 8.290 nan 0.000 0.552 517 R N 0.357 120.886 120.500 0.048 0.000 2.127 517 R HA 0.004 4.344 4.340 0.000 0.000 0.238 517 R C 3.151 179.500 176.300 0.082 0.000 1.134 517 R CA 1.892 58.027 56.100 0.058 0.000 0.975 517 R CB -0.577 29.761 30.300 0.064 0.000 0.865 517 R HN 0.664 nan 8.270 nan 0.000 0.447 518 A N 1.304 124.177 122.820 0.089 0.000 1.898 518 A HA -0.065 4.256 4.320 0.000 0.000 0.216 518 A C 2.373 180.002 177.584 0.074 0.000 1.181 518 A CA 1.551 53.653 52.037 0.108 0.000 0.620 518 A CB -0.465 18.597 19.000 0.103 0.000 0.819 518 A HN 0.374 nan 8.150 nan 0.000 0.442 519 A N -0.950 121.900 122.820 0.051 0.000 1.969 519 A HA -0.038 4.282 4.320 0.000 0.000 0.218 519 A C 2.249 179.861 177.584 0.047 0.000 1.169 519 A CA 2.119 54.174 52.037 0.031 0.000 0.635 519 A CB -1.147 17.864 19.000 0.018 0.000 0.810 519 A HN 0.425 nan 8.150 nan 0.000 0.445 520 T N -0.701 113.896 114.554 0.072 0.000 2.788 520 T HA -0.187 4.163 4.350 0.000 0.000 0.268 520 T C 1.886 176.660 174.700 0.124 0.000 1.044 520 T CA 1.578 63.755 62.100 0.128 0.000 1.139 520 T CB -0.672 68.237 68.868 0.068 0.000 0.867 520 T HN 0.582 nan 8.240 nan 0.000 0.454 521 C N 1.392 120.730 119.300 0.063 0.000 2.446 521 C HA 0.073 4.533 4.460 0.000 0.000 0.277 521 C C 3.131 178.138 174.990 0.029 0.000 1.275 521 C CA 0.376 59.394 59.018 0.000 0.000 1.727 521 C CB -1.537 26.197 27.740 -0.010 0.000 2.010 521 C HN 0.720 nan 8.230 nan 0.000 0.486 522 G N 0.224 109.064 108.800 0.067 0.000 2.440 522 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 522 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 522 G C 1.657 176.585 174.900 0.046 0.000 1.154 522 G CA 1.179 46.334 45.100 0.092 0.000 0.767 522 G HN 0.632 nan 8.290 nan 0.000 0.552 523 K N -0.878 119.504 120.400 -0.030 0.000 2.001 523 K HA -0.043 4.278 4.320 0.000 0.000 0.208 523 K C 2.254 178.664 176.600 -0.316 0.000 1.048 523 K CA 1.059 57.233 56.287 -0.188 0.000 0.932 523 K CB -0.246 32.098 32.500 -0.261 0.000 0.715 523 K HN 0.404 nan 8.250 nan 0.000 0.437 524 Y N 0.853 120.984 120.300 -0.282 0.000 2.231 524 Y HA -0.020 4.531 4.550 0.000 0.000 0.294 524 Y C 2.071 177.762 175.900 -0.348 0.000 1.120 524 Y CA 0.842 58.608 58.100 -0.557 0.000 1.141 524 Y CB -0.092 37.713 38.460 -1.091 0.000 1.022 524 Y HN -0.046 nan 8.280 nan 0.000 0.523 525 L N -1.789 119.354 121.223 -0.132 0.000 2.201 525 L HA -0.144 4.196 4.340 0.000 0.000 0.212 525 L C 0.764 177.387 176.870 -0.412 0.000 1.105 525 L CA 1.341 56.026 54.840 -0.258 0.000 0.775 525 L CB -0.330 41.349 42.059 -0.634 0.000 0.913 525 L HN 0.196 nan 8.230 nan 0.000 0.440 526 F N -1.682 118.227 119.950 -0.070 0.000 2.735 526 F HA 0.183 4.711 4.527 0.000 0.000 0.308 526 F C 1.626 177.126 175.800 -0.501 0.000 1.112 526 F CA -0.397 57.358 58.000 -0.407 0.000 1.235 526 F CB -0.416 38.358 39.000 -0.377 0.000 1.027 526 F HN -0.087 nan 8.300 nan 0.000 0.528 527 N N 1.141 119.772 118.700 -0.116 0.000 2.272 527 N HA -0.202 4.538 4.740 0.000 0.000 0.185 527 N C 1.972 177.467 175.510 -0.025 0.000 1.014 527 N CA 1.669 54.669 53.050 -0.084 0.000 0.870 527 N CB -0.200 38.259 38.487 -0.047 0.000 0.975 527 N HN 0.551 nan 8.380 nan 0.000 0.433 528 W N -0.323 121.024 121.300 0.079 0.000 2.425 528 W HA 0.103 4.763 4.660 0.000 0.000 0.277 528 W C 1.468 178.049 176.519 0.103 0.000 1.231 528 W CA 0.754 58.154 57.345 0.091 0.000 1.248 528 W CB -0.901 28.620 29.460 0.102 0.000 1.117 528 W HN 0.038 nan 8.180 nan 0.000 0.568 529 A N 1.349 123.788 122.820 -0.636 0.000 1.970 529 A HA 0.090 4.410 4.320 0.000 0.000 0.216 529 A C 1.249 178.714 177.584 -0.198 0.000 1.170 529 A CA 0.853 52.542 52.037 -0.580 0.000 0.645 529 A CB -0.826 17.589 19.000 -0.975 0.000 0.816 529 A HN 0.045 nan 8.150 nan 0.000 0.447 530 V N 0.558 120.367 119.914 -0.175 0.000 2.530 530 V HA 0.165 4.285 4.120 0.000 0.000 0.282 530 V C 1.289 177.361 176.094 -0.037 0.000 1.048 530 V CA -0.022 62.218 62.300 -0.100 0.000 0.997 530 V CB 1.230 32.986 31.823 -0.112 0.000 0.987 530 V HN 0.589 nan 8.190 nan 0.000 0.477 531 K N 3.205 123.592 120.400 -0.022 0.000 2.103 531 K HA -0.032 4.288 4.320 0.000 0.000 0.204 531 K C 0.856 177.446 176.600 -0.016 0.000 1.052 531 K CA 1.391 57.675 56.287 -0.005 0.000 0.945 531 K CB -0.033 32.468 32.500 0.001 0.000 0.722 531 K HN 0.851 nan 8.250 nan 0.000 0.443 532 T N 0.406 114.943 114.554 -0.029 0.000 3.005 532 T HA 0.264 4.614 4.350 0.000 0.000 0.323 532 T C -0.521 174.153 174.700 -0.043 0.000 1.131 532 T CA -0.789 61.291 62.100 -0.033 0.000 0.977 532 T CB 0.565 69.413 68.868 -0.033 0.000 1.055 532 T HN -0.024 nan 8.240 nan 0.000 0.562 533 K N 2.674 123.051 120.400 -0.038 0.000 2.326 533 K HA 0.319 4.639 4.320 0.000 0.000 0.275 533 K C -0.191 176.374 176.600 -0.059 0.000 1.018 533 K CA -0.706 55.553 56.287 -0.046 0.000 0.962 533 K CB 0.687 33.170 32.500 -0.028 0.000 0.953 533 K HN 0.385 nan 8.250 nan 0.000 0.475 534 L N 2.430 123.602 121.223 -0.085 0.000 2.399 534 L HA 0.188 4.528 4.340 0.000 0.000 0.266 534 L C 0.117 176.921 176.870 -0.110 0.000 1.114 534 L CA -0.227 54.551 54.840 -0.103 0.000 0.804 534 L CB 0.635 42.610 42.059 -0.139 0.000 1.146 534 L HN 0.376 nan 8.230 nan 0.000 0.451 535 K N 2.155 122.498 120.400 -0.094 0.000 2.349 535 K HA 0.340 4.660 4.320 0.000 0.000 0.288 535 K C -1.169 175.358 176.600 -0.122 0.000 1.058 535 K CA 0.369 56.611 56.287 -0.075 0.000 0.953 535 K CB 0.021 32.497 32.500 -0.040 0.000 0.997 535 K HN 0.454 nan 8.250 nan 0.000 0.477 536 L N 5.513 126.675 121.223 -0.102 0.000 2.272 536 L HA 0.274 4.615 4.340 0.000 0.000 0.284 536 L C 0.442 177.366 176.870 0.089 0.000 1.045 536 L CA -0.785 53.981 54.840 -0.122 0.000 0.842 536 L CB 0.883 42.871 42.059 -0.118 0.000 1.224 536 L HN 0.801 nan 8.230 nan 0.000 0.430 537 T N 0.709 115.340 114.554 0.129 0.000 2.874 537 T HA 0.469 4.819 4.350 0.000 0.000 0.281 537 T C -2.431 172.397 174.700 0.213 0.000 0.994 537 T CA -1.976 60.211 62.100 0.146 0.000 1.015 537 T CB 1.183 70.107 68.868 0.094 0.000 1.028 537 T HN 0.164 nan 8.240 nan 0.000 0.523 538 P HA 0.141 nan 4.420 nan 0.000 0.263 538 P C -0.430 176.890 177.300 0.032 0.000 1.175 538 P CA 0.074 63.224 63.100 0.082 0.000 0.761 538 P CB 0.034 31.766 31.700 0.054 0.000 0.794 539 I N 6.112 126.643 120.570 -0.064 0.000 2.452 539 I HA 0.127 4.297 4.170 0.000 0.000 0.287 539 I C -1.464 174.611 176.117 -0.070 0.000 1.079 539 I CA -1.778 59.436 61.300 -0.142 0.000 1.387 539 I CB 0.206 38.009 38.000 -0.328 0.000 1.404 539 I HN 0.248 nan 8.210 nan 0.000 0.522 540 P HA 0.120 nan 4.420 nan 0.000 0.272 540 P C 0.327 177.606 177.300 -0.036 0.000 1.223 540 P CA -0.065 63.020 63.100 -0.025 0.000 0.784 540 P CB 1.173 32.869 31.700 -0.007 0.000 0.923 541 A N 1.123 123.925 122.820 -0.030 0.000 2.945 541 A HA -0.237 4.083 4.320 0.000 0.000 0.263 541 A C 1.679 179.235 177.584 -0.046 0.000 1.293 541 A CA 1.447 53.465 52.037 -0.032 0.000 0.944 541 A CB -2.440 16.546 19.000 -0.024 0.000 1.093 541 A HN 0.702 nan 8.150 nan 0.000 0.786 542 A N -0.841 121.945 122.820 -0.057 0.000 1.968 542 A HA 0.246 4.566 4.320 0.000 0.000 0.217 542 A C 1.917 179.459 177.584 -0.070 0.000 1.169 542 A CA 1.878 53.871 52.037 -0.072 0.000 0.638 542 A CB -0.437 18.515 19.000 -0.080 0.000 0.812 542 A HN 1.209 nan 8.150 nan 0.000 0.446 543 S N -0.057 115.611 115.700 -0.054 0.000 2.754 543 S HA 0.019 4.489 4.470 0.000 0.000 0.223 543 S C 1.558 176.130 174.600 -0.046 0.000 0.951 543 S CA 0.213 58.384 58.200 -0.049 0.000 0.954 543 S CB 0.116 63.296 63.200 -0.034 0.000 0.780 543 S HN 0.564 nan 8.310 nan 0.000 0.509 544 Q N 0.680 120.450 119.800 -0.049 0.000 2.304 544 Q HA 0.213 4.553 4.340 0.000 0.000 0.204 544 Q C 0.449 176.416 176.000 -0.056 0.000 0.936 544 Q CA 0.257 56.034 55.803 -0.043 0.000 0.878 544 Q CB -0.080 28.638 28.738 -0.033 0.000 0.983 544 Q HN 0.473 nan 8.270 nan 0.000 0.516 545 L N 4.032 125.212 121.223 -0.073 0.000 2.477 545 L HA 0.031 4.371 4.340 0.000 0.000 0.272 545 L C -0.433 176.359 176.870 -0.130 0.000 1.157 545 L CA 0.158 54.940 54.840 -0.097 0.000 0.889 545 L CB 0.436 42.426 42.059 -0.115 0.000 1.158 545 L HN 0.122 nan 8.230 nan 0.000 0.473 546 D N 5.684 126.012 120.400 -0.119 0.000 2.249 546 D HA 0.085 4.725 4.640 0.000 0.000 0.246 546 D C -0.023 176.148 176.300 -0.214 0.000 1.114 546 D CA -0.327 53.597 54.000 -0.128 0.000 0.854 546 D CB 1.195 41.953 40.800 -0.070 0.000 1.132 546 D HN 0.592 nan 8.370 nan 0.000 0.461 547 L N 1.968 123.020 121.223 -0.286 0.000 2.928 547 L HA 0.125 4.465 4.340 0.000 0.000 0.236 547 L C 0.466 177.251 176.870 -0.141 0.000 1.290 547 L CA -0.413 54.120 54.840 -0.511 0.000 1.099 547 L CB -0.117 41.523 42.059 -0.698 0.000 1.437 547 L HN 0.219 nan 8.230 nan 0.000 0.493 548 S N 0.094 115.775 115.700 -0.033 0.000 2.576 548 S HA 0.442 4.912 4.470 0.000 0.000 0.276 548 S C 1.263 175.932 174.600 0.115 0.000 1.339 548 S CA 0.514 58.742 58.200 0.045 0.000 1.039 548 S CB 1.416 64.622 63.200 0.010 0.000 0.902 548 S HN 0.709 nan 8.310 nan 0.000 0.516 549 G N 1.143 109.978 108.800 0.059 0.000 2.284 549 G HA2 -0.227 3.733 3.960 0.000 0.000 0.247 549 G HA3 -0.227 3.733 3.960 0.000 0.000 0.247 549 G C -0.281 174.685 174.900 0.110 0.000 1.012 549 G CA -0.186 44.858 45.100 -0.093 0.000 0.618 549 G HN 0.580 nan 8.290 nan 0.000 0.521 550 W N 0.812 122.005 121.300 -0.178 0.000 2.316 550 W HA 0.690 5.350 4.660 0.000 0.000 0.311 550 W C 0.653 177.000 176.519 -0.287 0.000 1.217 550 W CA -0.378 56.666 57.345 -0.500 0.000 1.199 550 W CB -0.338 28.679 29.460 -0.739 0.000 1.202 550 W HN 0.343 nan 8.180 nan 0.000 0.528 551 F N 1.266 121.352 119.950 0.227 0.000 3.027 551 F HA -0.280 4.247 4.527 0.000 0.000 0.276 551 F C 0.611 176.527 175.800 0.193 0.000 0.967 551 F CA 0.221 58.370 58.000 0.248 0.000 0.929 551 F CB -1.943 37.171 39.000 0.191 0.000 0.873 551 F HN 0.161 nan 8.300 nan 0.000 0.787 552 V N -1.671 118.425 119.914 0.303 0.000 2.743 552 V HA 0.661 4.781 4.120 0.000 0.000 0.237 552 V C 1.312 177.543 176.094 0.227 0.000 1.113 552 V CA 1.054 63.486 62.300 0.220 0.000 1.141 552 V CB 0.564 32.495 31.823 0.180 0.000 0.873 552 V HN 0.665 nan 8.190 nan 0.000 0.486 553 A N -0.873 122.048 122.820 0.168 0.000 2.588 553 A HA 0.793 5.113 4.320 0.000 0.000 0.290 553 A C -0.314 177.009 177.584 -0.435 0.000 1.136 553 A CA 0.075 52.090 52.037 -0.036 0.000 0.681 553 A CB 1.005 19.832 19.000 -0.289 0.000 1.282 553 A HN 0.415 nan 8.150 nan 0.000 0.421 554 G N -1.583 106.697 108.800 -0.866 0.000 2.389 554 G HA2 0.558 4.518 3.960 0.000 0.000 0.328 554 G HA3 0.558 4.518 3.960 0.000 0.000 0.328 554 G C -1.051 173.215 174.900 -1.057 0.000 1.133 554 G CA -0.129 44.117 45.100 -1.423 0.000 0.891 554 G HN 0.600 nan 8.290 nan 0.000 0.485 555 Y N 0.531 120.626 120.300 -0.342 0.000 2.777 555 Y HA 0.291 4.841 4.550 0.000 0.000 0.248 555 Y C 1.214 177.041 175.900 -0.121 0.000 1.127 555 Y CA -0.843 57.157 58.100 -0.166 0.000 1.149 555 Y CB 0.511 38.907 38.460 -0.106 0.000 1.230 555 Y HN 0.517 nan 8.280 nan 0.000 0.586 556 S N 0.755 116.426 115.700 -0.048 0.000 2.544 556 S HA 0.332 4.802 4.470 0.000 0.000 0.290 556 S C 1.472 176.099 174.600 0.045 0.000 1.276 556 S CA 1.418 59.624 58.200 0.009 0.000 1.075 556 S CB 0.119 63.328 63.200 0.016 0.000 0.849 556 S HN 1.095 nan 8.310 nan 0.000 0.494 557 G N 3.554 112.385 108.800 0.050 0.000 2.184 557 G HA2 -0.232 3.729 3.960 0.000 0.000 0.264 557 G HA3 -0.232 3.729 3.960 0.000 0.000 0.264 557 G C 0.807 175.746 174.900 0.066 0.000 0.975 557 G CA 0.401 45.538 45.100 0.060 0.000 0.642 557 G HN 1.409 nan 8.290 nan 0.000 0.536 558 G N -0.229 108.613 108.800 0.072 0.000 3.088 558 G HA2 0.392 4.352 3.960 0.000 0.000 0.212 558 G HA3 0.392 4.352 3.960 0.000 0.000 0.212 558 G C 0.468 175.390 174.900 0.036 0.000 1.173 558 G CA 1.111 46.266 45.100 0.092 0.000 0.779 558 G HN 1.135 nan 8.290 nan 0.000 0.540 559 D N -0.463 119.928 120.400 -0.016 0.000 2.699 559 D HA -0.162 4.479 4.640 0.000 0.000 0.239 559 D C -0.089 176.128 176.300 -0.139 0.000 1.136 559 D CA 0.376 54.331 54.000 -0.075 0.000 0.668 559 D CB -1.144 39.625 40.800 -0.051 0.000 1.060 559 D HN 0.114 nan 8.370 nan 0.000 0.429 560 I N 1.287 121.738 120.570 -0.198 0.000 2.404 560 I HA 0.404 4.574 4.170 0.000 0.000 0.293 560 I C -0.078 175.773 176.117 -0.444 0.000 0.992 560 I CA -0.742 60.328 61.300 -0.383 0.000 1.149 560 I CB 1.278 38.922 38.000 -0.592 0.000 1.315 560 I HN 0.097 nan 8.210 nan 0.000 0.446 561 Y N 5.760 125.662 120.300 -0.664 0.000 2.442 561 Y HA 0.520 5.070 4.550 0.000 0.000 0.344 561 Y C -0.769 174.733 175.900 -0.663 0.000 0.976 561 Y CA -0.455 57.276 58.100 -0.615 0.000 1.040 561 Y CB 1.488 39.712 38.460 -0.393 0.000 1.228 561 Y HN 0.654 nan 8.280 nan 0.000 0.451 562 H N 0.000 118.435 119.070 -1.058 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.588 56.048 -0.767 0.000 1.023 562 H CB 0.000 29.386 29.762 -0.627 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496