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 3h2l_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.571 174.600 -0.049 0.000 1.055 1 S CA 0.000 58.178 58.200 -0.036 0.000 1.107 1 S CB 0.000 63.169 63.200 -0.051 0.000 0.593 2 M N 3.064 122.628 119.600 -0.059 0.000 2.188 2 M HA 0.286 4.766 4.480 0.000 0.000 0.354 2 M C 1.857 178.053 176.300 -0.173 0.000 1.342 2 M CA -0.062 55.190 55.300 -0.079 0.000 1.117 2 M CB 0.622 33.193 32.600 -0.049 0.000 1.670 2 M HN 1.042 nan 8.290 nan 0.000 0.466 3 S N 3.082 118.620 115.700 -0.270 0.000 2.383 3 S HA -0.115 4.355 4.470 0.000 0.000 0.229 3 S C 0.141 174.362 174.600 -0.631 0.000 1.030 3 S CA 1.049 58.980 58.200 -0.449 0.000 1.002 3 S CB -0.202 62.658 63.200 -0.566 0.000 0.829 3 S HN 0.647 nan 8.310 nan 0.000 0.467 4 Y N -0.056 120.060 120.300 -0.307 0.000 2.534 4 Y HA 0.537 5.087 4.550 0.000 0.000 0.345 4 Y C -0.192 175.366 175.900 -0.570 0.000 1.031 4 Y CA -0.979 56.804 58.100 -0.528 0.000 1.022 4 Y CB 2.084 40.065 38.460 -0.798 0.000 1.292 4 Y HN -0.131 nan 8.280 nan 0.000 0.459 5 T N 1.644 115.937 114.554 -0.436 0.000 2.856 5 T HA 0.439 4.789 4.350 0.000 0.000 0.283 5 T C -1.266 173.134 174.700 -0.500 0.000 1.008 5 T CA -0.762 61.127 62.100 -0.351 0.000 0.997 5 T CB 0.677 69.475 68.868 -0.116 0.000 0.992 5 T HN 0.455 nan 8.240 nan 0.000 0.454 6 W N 0.976 122.334 121.300 0.096 0.000 2.666 6 W HA 0.402 5.063 4.660 0.000 0.000 0.334 6 W C 1.455 178.005 176.519 0.051 0.000 1.051 6 W CA -0.983 56.402 57.345 0.067 0.000 1.224 6 W CB 1.223 30.706 29.460 0.038 0.000 1.405 6 W HN 0.795 nan 8.180 nan 0.000 0.513 7 T N -2.075 112.660 114.554 0.303 0.000 3.054 7 T HA 0.280 4.630 4.350 0.000 0.000 0.259 7 T C 1.469 176.257 174.700 0.146 0.000 1.092 7 T CA 0.894 63.100 62.100 0.176 0.000 1.121 7 T CB -0.003 68.948 68.868 0.137 0.000 0.912 7 T HN 1.192 nan 8.240 nan 0.000 0.489 8 G N 1.171 110.066 108.800 0.159 0.000 2.201 8 G HA2 0.047 4.007 3.960 0.000 0.000 0.212 8 G HA3 0.047 4.007 3.960 0.000 0.000 0.212 8 G C 0.309 175.233 174.900 0.041 0.000 0.994 8 G CA -0.126 45.020 45.100 0.077 0.000 0.644 8 G HN 1.093 nan 8.290 nan 0.000 0.508 9 A N 0.552 123.409 122.820 0.062 0.000 2.445 9 A HA 0.684 5.004 4.320 0.000 0.000 0.242 9 A C 0.749 178.338 177.584 0.008 0.000 1.075 9 A CA 0.084 52.143 52.037 0.038 0.000 0.777 9 A CB 0.272 19.305 19.000 0.054 0.000 1.013 9 A HN 0.864 nan 8.150 nan 0.000 0.493 10 L N 1.721 122.938 121.223 -0.011 0.000 2.395 10 L HA 0.270 4.610 4.340 0.000 0.000 0.269 10 L C -0.057 176.794 176.870 -0.032 0.000 1.133 10 L CA -0.288 54.528 54.840 -0.041 0.000 0.812 10 L CB 0.718 42.757 42.059 -0.033 0.000 1.125 10 L HN 0.561 nan 8.230 nan 0.000 0.452 11 I N 1.814 122.347 120.570 -0.063 0.000 2.452 11 I HA 0.067 4.237 4.170 0.000 0.000 0.287 11 I C 0.523 176.629 176.117 -0.017 0.000 1.079 11 I CA 0.286 61.565 61.300 -0.035 0.000 1.387 11 I CB 0.821 38.784 38.000 -0.061 0.000 1.404 11 I HN 0.640 nan 8.210 nan 0.000 0.522 12 T N 5.148 119.704 114.554 0.003 0.000 2.855 12 T HA 0.606 4.956 4.350 0.000 0.000 0.281 12 T C -2.484 172.229 174.700 0.022 0.000 1.007 12 T CA -2.090 60.015 62.100 0.008 0.000 1.009 12 T CB 1.826 70.699 68.868 0.008 0.000 0.983 12 T HN 0.235 nan 8.240 nan 0.000 0.455 13 P HA 0.323 nan 4.420 nan 0.000 0.274 13 P C 0.162 177.481 177.300 0.032 0.000 1.246 13 P CA -0.626 62.493 63.100 0.033 0.000 0.795 13 P CB 0.921 32.640 31.700 0.032 0.000 1.006 14 C N 0.465 119.788 119.300 0.037 0.000 2.684 14 C HA 0.340 4.800 4.460 0.000 0.000 0.283 14 C C 1.724 176.730 174.990 0.026 0.000 1.346 14 C CA 1.149 60.186 59.018 0.032 0.000 1.707 14 C CB -0.780 26.983 27.740 0.038 0.000 2.137 14 C HN 0.669 nan 8.230 nan 0.000 0.544 15 A N 0.401 123.239 122.820 0.029 0.000 2.336 15 A HA 0.726 5.046 4.320 0.000 0.000 0.291 15 A C 0.134 177.739 177.584 0.035 0.000 1.266 15 A CA 0.340 52.395 52.037 0.030 0.000 0.891 15 A CB -0.406 18.612 19.000 0.031 0.000 1.366 15 A HN 0.659 nan 8.150 nan 0.000 0.507 16 A N -0.619 122.224 122.820 0.039 0.000 2.386 16 A HA 0.528 4.848 4.320 0.000 0.000 0.248 16 A C -0.129 177.492 177.584 0.063 0.000 1.082 16 A CA -0.121 51.944 52.037 0.046 0.000 0.789 16 A CB -0.089 18.937 19.000 0.044 0.000 1.025 16 A HN 0.706 nan 8.150 nan 0.000 0.490 17 E N 0.851 121.094 120.200 0.071 0.000 2.187 17 E HA 0.344 4.694 4.350 0.000 0.000 0.268 17 E C -1.091 175.586 176.600 0.128 0.000 0.896 17 E CA -0.411 56.045 56.400 0.094 0.000 0.766 17 E CB 1.747 31.493 29.700 0.078 0.000 1.142 17 E HN 0.720 nan 8.360 nan 0.000 0.408 18 E N 1.037 121.353 120.200 0.194 0.000 2.249 18 E HA 0.141 4.491 4.350 0.000 0.000 0.280 18 E C 0.227 177.037 176.600 0.351 0.000 1.016 18 E CA -0.154 56.404 56.400 0.262 0.000 0.830 18 E CB 1.314 31.207 29.700 0.321 0.000 1.081 18 E HN 0.559 nan 8.360 nan 0.000 0.395 19 S N 2.188 118.077 115.700 0.317 0.000 2.575 19 S HA 0.104 4.574 4.470 0.000 0.000 0.230 19 S C 0.636 175.499 174.600 0.438 0.000 1.062 19 S CA -0.310 58.099 58.200 0.348 0.000 0.913 19 S CB 0.362 63.701 63.200 0.232 0.000 0.837 19 S HN 0.165 nan 8.310 nan 0.000 0.487 20 K N 2.087 122.667 120.400 0.301 0.000 2.350 20 K HA 0.249 4.569 4.320 0.000 0.000 0.279 20 K C -0.441 176.209 176.600 0.084 0.000 1.027 20 K CA -0.477 55.933 56.287 0.206 0.000 0.969 20 K CB 1.092 33.646 32.500 0.090 0.000 0.954 20 K HN 0.365 nan 8.250 nan 0.000 0.474 21 L N 6.049 127.312 121.223 0.067 0.000 2.615 21 L HA 0.050 4.390 4.340 0.000 0.000 0.271 21 L C -2.233 174.360 176.870 -0.461 0.000 1.183 21 L CA -0.693 53.963 54.840 -0.307 0.000 0.933 21 L CB -0.121 41.940 42.059 0.004 0.000 1.199 21 L HN 0.369 nan 8.230 nan 0.000 0.487 22 P HA 0.176 nan 4.420 nan 0.000 0.268 22 P C -0.928 176.129 177.300 -0.406 0.000 1.204 22 P CA -0.017 62.777 63.100 -0.509 0.000 0.768 22 P CB 0.513 31.860 31.700 -0.588 0.000 0.842 23 I N 3.269 123.659 120.570 -0.301 0.000 2.441 23 I HA 0.403 4.573 4.170 0.000 0.000 0.295 23 I C 0.556 176.557 176.117 -0.192 0.000 0.994 23 I CA -0.640 60.484 61.300 -0.293 0.000 1.144 23 I CB 1.386 39.202 38.000 -0.308 0.000 1.314 23 I HN 0.495 nan 8.210 nan 0.000 0.445 24 N N 3.919 122.521 118.700 -0.162 0.000 3.343 24 N HA 0.436 5.176 4.740 0.000 0.000 0.330 24 N C 0.230 175.695 175.510 -0.074 0.000 1.560 24 N CA -0.396 52.591 53.050 -0.104 0.000 0.752 24 N CB 0.713 39.141 38.487 -0.097 0.000 1.863 24 N HN 0.373 nan 8.380 nan 0.000 0.636 25 A N -0.596 122.193 122.820 -0.052 0.000 2.168 25 A HA 0.178 4.498 4.320 0.000 0.000 0.215 25 A C 1.683 179.252 177.584 -0.025 0.000 1.152 25 A CA 0.732 52.749 52.037 -0.033 0.000 0.716 25 A CB -0.847 18.136 19.000 -0.029 0.000 0.794 25 A HN 0.529 nan 8.150 nan 0.000 0.465 26 L N -1.568 119.636 121.223 -0.031 0.000 2.513 26 L HA 0.039 4.379 4.340 0.000 0.000 0.222 26 L C 2.457 179.350 176.870 0.038 0.000 1.096 26 L CA 0.441 55.279 54.840 -0.004 0.000 0.857 26 L CB -0.209 41.828 42.059 -0.037 0.000 1.026 26 L HN 0.210 nan 8.230 nan 0.000 0.469 27 S N 0.806 116.501 115.700 -0.008 0.000 2.359 27 S HA -0.189 4.281 4.470 0.000 0.000 0.223 27 S C 1.724 176.368 174.600 0.074 0.000 1.039 27 S CA 1.745 59.935 58.200 -0.015 0.000 1.042 27 S CB -0.306 62.795 63.200 -0.165 0.000 0.915 27 S HN 0.451 nan 8.310 nan 0.000 0.439 28 N N 1.341 120.103 118.700 0.102 0.000 2.289 28 N HA -0.064 4.676 4.740 0.000 0.000 0.184 28 N C 1.905 177.443 175.510 0.046 0.000 1.016 28 N CA 1.278 54.402 53.050 0.123 0.000 0.872 28 N CB -0.503 38.036 38.487 0.087 0.000 0.973 28 N HN 0.590 nan 8.380 nan 0.000 0.433 29 S N -0.335 115.386 115.700 0.035 0.000 2.423 29 S HA -0.049 4.421 4.470 0.000 0.000 0.231 29 S C 1.819 176.438 174.600 0.032 0.000 1.014 29 S CA 0.441 58.640 58.200 -0.002 0.000 0.965 29 S CB -0.197 63.013 63.200 0.017 0.000 0.785 29 S HN 0.220 nan 8.310 nan 0.000 0.495 30 L N 0.110 121.368 121.223 0.058 0.000 2.221 30 L HA 0.582 4.922 4.340 0.000 0.000 0.202 30 L C 0.214 177.142 176.870 0.097 0.000 1.074 30 L CA 0.937 55.811 54.840 0.056 0.000 0.795 30 L CB 0.076 41.941 42.059 -0.323 0.000 0.960 30 L HN 0.524 nan 8.230 nan 0.000 0.458 31 L N -1.148 120.116 121.223 0.068 0.000 2.543 31 L HA 0.396 4.736 4.340 0.000 0.000 0.265 31 L C 0.316 177.209 176.870 0.038 0.000 0.945 31 L CA -0.553 54.318 54.840 0.050 0.000 0.869 31 L CB 1.296 43.412 42.059 0.095 0.000 1.294 31 L HN -0.101 nan 8.230 nan 0.000 0.405 32 R N 1.344 121.738 120.500 -0.177 0.000 2.156 32 R HA 0.144 4.484 4.340 0.000 0.000 0.207 32 R C 0.036 176.074 176.300 -0.437 0.000 1.040 32 R CA 0.560 56.459 56.100 -0.336 0.000 1.013 32 R CB -0.053 30.048 30.300 -0.331 0.000 0.931 32 R HN 0.678 nan 8.270 nan 0.000 0.465 33 H N 0.630 119.606 119.070 -0.157 0.000 2.799 33 H HA 0.136 4.693 4.556 0.000 0.000 0.225 33 H C 0.615 175.944 175.328 0.002 0.000 1.904 33 H CA -0.251 55.734 56.048 -0.106 0.000 1.344 33 H CB -0.162 29.587 29.762 -0.022 0.000 1.744 33 H HN 0.340 nan 8.280 nan 0.000 0.542 34 H N 0.726 119.883 119.070 0.145 0.000 2.422 34 H HA -0.182 4.374 4.556 0.000 0.000 0.298 34 H C 1.808 177.212 175.328 0.127 0.000 1.098 34 H CA 1.295 57.407 56.048 0.106 0.000 1.315 34 H CB 0.210 30.008 29.762 0.060 0.000 1.382 34 H HN 0.679 nan 8.280 nan 0.000 0.523 35 N N 0.633 119.460 118.700 0.212 0.000 2.364 35 N HA -0.142 4.598 4.740 0.000 0.000 0.183 35 N C 1.370 176.985 175.510 0.175 0.000 1.022 35 N CA 1.076 54.223 53.050 0.161 0.000 0.883 35 N CB -0.124 38.419 38.487 0.093 0.000 0.965 35 N HN 0.257 nan 8.380 nan 0.000 0.438 36 M N 0.235 119.951 119.600 0.192 0.000 2.419 36 M HA 0.128 4.608 4.480 0.000 0.000 0.264 36 M C -0.006 176.462 176.300 0.281 0.000 1.082 36 M CA 0.335 55.757 55.300 0.204 0.000 1.119 36 M CB -0.186 32.525 32.600 0.185 0.000 1.398 36 M HN -0.006 nan 8.290 nan 0.000 0.453 37 V N 1.442 121.531 119.914 0.292 0.000 2.427 37 V HA 0.316 4.436 4.120 0.000 0.000 0.286 37 V C -0.629 175.716 176.094 0.419 0.000 1.034 37 V CA -0.752 61.732 62.300 0.306 0.000 0.893 37 V CB 0.806 32.795 31.823 0.275 0.000 0.982 37 V HN 0.393 nan 8.190 nan 0.000 0.452 38 Y N 2.477 122.930 120.300 0.255 0.000 2.625 38 Y HA 0.915 5.465 4.550 0.000 0.000 0.338 38 Y C -0.471 175.498 175.900 0.116 0.000 1.123 38 Y CA -1.444 56.809 58.100 0.256 0.000 1.046 38 Y CB 1.530 40.101 38.460 0.185 0.000 1.299 38 Y HN 0.705 nan 8.280 nan 0.000 0.464 39 A N 1.420 124.283 122.820 0.071 0.000 2.350 39 A HA 0.679 4.999 4.320 0.000 0.000 0.324 39 A C -0.116 177.544 177.584 0.127 0.000 1.118 39 A CA -0.388 51.498 52.037 -0.252 0.000 0.783 39 A CB 0.549 19.156 19.000 -0.655 0.000 1.236 39 A HN 1.118 nan 8.150 nan 0.000 0.457 40 T N 0.025 114.640 114.554 0.102 0.000 2.918 40 T HA 0.538 4.888 4.350 0.000 0.000 0.302 40 T C 0.370 175.130 174.700 0.100 0.000 1.045 40 T CA 0.426 62.648 62.100 0.202 0.000 1.114 40 T CB 0.633 69.637 68.868 0.227 0.000 0.965 40 T HN 1.470 nan 8.240 nan 0.000 0.540 41 T N -1.560 113.056 114.554 0.103 0.000 2.887 41 T HA 0.482 4.832 4.350 0.000 0.000 0.292 41 T C 1.471 176.200 174.700 0.048 0.000 1.087 41 T CA -0.229 61.911 62.100 0.068 0.000 1.009 41 T CB 1.317 70.230 68.868 0.075 0.000 1.203 41 T HN 0.788 nan 8.240 nan 0.000 0.518 42 S N 0.437 116.157 115.700 0.034 0.000 2.440 42 S HA -0.210 4.260 4.470 0.000 0.000 0.240 42 S C 1.973 176.573 174.600 -0.000 0.000 1.014 42 S CA 1.102 59.310 58.200 0.013 0.000 0.980 42 S CB -0.748 62.460 63.200 0.013 0.000 0.775 42 S HN 0.778 nan 8.310 nan 0.000 0.499 43 R N 2.447 122.955 120.500 0.013 0.000 2.139 43 R HA -0.082 4.258 4.340 0.000 0.000 0.243 43 R C 2.202 178.496 176.300 -0.009 0.000 1.145 43 R CA 1.862 57.965 56.100 0.004 0.000 0.976 43 R CB -0.836 29.476 30.300 0.019 0.000 0.866 43 R HN 0.683 nan 8.270 nan 0.000 0.449 44 S N -1.555 114.145 115.700 -0.001 0.000 2.575 44 S HA 0.269 4.739 4.470 0.000 0.000 0.215 44 S C 1.792 176.370 174.600 -0.037 0.000 0.966 44 S CA 0.117 58.309 58.200 -0.012 0.000 0.911 44 S CB 0.531 63.740 63.200 0.014 0.000 0.780 44 S HN 0.342 nan 8.310 nan 0.000 0.514 45 A N 2.201 124.990 122.820 -0.052 0.000 1.940 45 A HA 0.128 4.448 4.320 0.000 0.000 0.219 45 A C 2.303 179.786 177.584 -0.169 0.000 1.176 45 A CA 1.616 53.595 52.037 -0.097 0.000 0.631 45 A CB -1.728 17.211 19.000 -0.102 0.000 0.814 45 A HN 0.655 nan 8.150 nan 0.000 0.446 46 G N -0.333 108.369 108.800 -0.164 0.000 2.442 46 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 46 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 46 G C 1.427 176.231 174.900 -0.160 0.000 1.141 46 G CA 1.249 46.230 45.100 -0.199 0.000 0.763 46 G HN 0.401 nan 8.290 nan 0.000 0.554 47 L N -0.031 121.132 121.223 -0.099 0.000 2.046 47 L HA 0.063 4.403 4.340 0.000 0.000 0.208 47 L C 2.784 179.622 176.870 -0.054 0.000 1.077 47 L CA 1.507 56.309 54.840 -0.063 0.000 0.747 47 L CB -0.379 41.656 42.059 -0.040 0.000 0.896 47 L HN 0.147 nan 8.230 nan 0.000 0.432 48 R N -0.338 120.122 120.500 -0.066 0.000 2.073 48 R HA -0.110 4.230 4.340 0.000 0.000 0.229 48 R C 2.204 178.468 176.300 -0.061 0.000 1.120 48 R CA 1.366 57.443 56.100 -0.039 0.000 0.967 48 R CB -0.370 29.912 30.300 -0.030 0.000 0.862 48 R HN 0.401 nan 8.270 nan 0.000 0.436 49 Q N 0.351 120.034 119.800 -0.195 0.000 2.062 49 Q HA -0.254 4.086 4.340 0.000 0.000 0.209 49 Q C 2.011 177.988 176.000 -0.039 0.000 0.996 49 Q CA 2.436 58.054 55.803 -0.308 0.000 0.859 49 Q CB -0.219 28.015 28.738 -0.841 0.000 0.920 49 Q HN 0.355 nan 8.270 nan 0.000 0.415 50 K N 0.814 121.186 120.400 -0.047 0.000 2.032 50 K HA -0.178 4.142 4.320 0.000 0.000 0.209 50 K C 2.082 178.763 176.600 0.136 0.000 1.048 50 K CA 1.445 57.767 56.287 0.057 0.000 0.927 50 K CB -0.110 32.400 32.500 0.017 0.000 0.712 50 K HN 0.088 nan 8.250 nan 0.000 0.441 51 K N 0.567 121.033 120.400 0.111 0.000 2.063 51 K HA -0.127 4.193 4.320 0.000 0.000 0.208 51 K C 2.013 178.790 176.600 0.296 0.000 1.048 51 K CA 1.668 58.051 56.287 0.160 0.000 0.928 51 K CB -0.090 32.474 32.500 0.107 0.000 0.713 51 K HN 0.160 nan 8.250 nan 0.000 0.442 52 V N -1.767 118.307 119.914 0.265 0.000 3.541 52 V HA 0.050 4.170 4.120 0.000 0.000 0.267 52 V C 0.387 176.645 176.094 0.272 0.000 1.213 52 V CA 0.249 62.738 62.300 0.316 0.000 1.149 52 V CB 0.015 31.968 31.823 0.217 0.000 0.822 52 V HN -0.031 nan 8.190 nan 0.000 0.462 53 T N 4.452 119.208 114.554 0.337 0.000 2.738 53 T HA 0.689 5.039 4.350 0.000 0.000 0.298 53 T C -0.711 174.176 174.700 0.311 0.000 0.962 53 T CA 0.002 62.279 62.100 0.294 0.000 0.972 53 T CB 0.020 69.147 68.868 0.431 0.000 0.928 53 T HN 0.628 nan 8.240 nan 0.000 0.474 54 F N -0.137 119.907 119.950 0.157 0.000 2.741 54 F HA 0.679 5.206 4.527 -0.000 0.000 0.313 54 F C -0.990 174.844 175.800 0.056 0.000 1.153 54 F CA -1.719 56.337 58.000 0.094 0.000 0.931 54 F CB 0.808 39.855 39.000 0.079 0.000 1.335 54 F HN 0.203 nan 8.300 nan 0.000 0.460 55 D N 0.567 121.146 120.400 0.298 0.000 2.302 55 D HA 0.492 5.132 4.640 0.000 0.000 0.248 55 D C -0.965 175.483 176.300 0.246 0.000 1.094 55 D CA -0.022 54.079 54.000 0.168 0.000 0.897 55 D CB 0.877 41.746 40.800 0.114 0.000 1.200 55 D HN 0.546 nan 8.370 nan 0.000 0.429 56 R N 2.302 122.877 120.500 0.124 0.000 2.437 56 R HA 0.572 4.912 4.340 0.000 0.000 0.310 56 R C -0.882 175.452 176.300 0.057 0.000 0.955 56 R CA -0.507 55.668 56.100 0.125 0.000 0.851 56 R CB 1.164 31.504 30.300 0.067 0.000 1.161 56 R HN 0.396 nan 8.270 nan 0.000 0.446 57 L N 1.986 123.241 121.223 0.052 0.000 2.334 57 L HA 0.555 4.895 4.340 0.000 0.000 0.276 57 L C -0.366 176.509 176.870 0.007 0.000 1.014 57 L CA -0.667 54.184 54.840 0.019 0.000 0.815 57 L CB 2.028 44.095 42.059 0.014 0.000 1.268 57 L HN 0.456 nan 8.230 nan 0.000 0.428 58 Q N 1.800 121.592 119.800 -0.013 0.000 2.305 58 Q HA 0.602 4.942 4.340 0.000 0.000 0.271 58 Q C -1.859 174.117 176.000 -0.040 0.000 1.046 58 Q CA -0.513 55.275 55.803 -0.025 0.000 0.798 58 Q CB 3.140 31.848 28.738 -0.050 0.000 1.286 58 Q HN 0.402 nan 8.270 nan 0.000 0.435 59 V N 5.230 125.130 119.914 -0.024 0.000 2.443 59 V HA 0.475 4.595 4.120 0.000 0.000 0.293 59 V C -0.849 175.251 176.094 0.011 0.000 1.021 59 V CA -0.529 61.755 62.300 -0.026 0.000 0.848 59 V CB 1.648 33.453 31.823 -0.030 0.000 0.998 59 V HN 0.685 nan 8.190 nan 0.000 0.424 60 L N 5.713 126.905 121.223 -0.052 0.000 2.349 60 L HA 0.636 4.976 4.340 0.000 0.000 0.278 60 L C -0.538 176.342 176.870 0.016 0.000 0.996 60 L CA -0.564 54.203 54.840 -0.122 0.000 0.825 60 L CB 1.878 43.671 42.059 -0.443 0.000 1.243 60 L HN 0.718 nan 8.230 nan 0.000 0.412 61 D N 0.385 120.874 120.400 0.148 0.000 2.592 61 D HA 0.169 4.809 4.640 0.000 0.000 0.259 61 D C 0.323 176.697 176.300 0.124 0.000 1.144 61 D CA -0.627 53.445 54.000 0.120 0.000 1.080 61 D CB 0.889 41.764 40.800 0.124 0.000 1.225 61 D HN 0.299 nan 8.370 nan 0.000 0.619 62 D N -1.044 119.369 120.400 0.023 0.000 2.123 62 D HA -0.181 4.459 4.640 0.000 0.000 0.196 62 D C 1.738 178.053 176.300 0.025 0.000 0.992 62 D CA 1.232 55.221 54.000 -0.018 0.000 0.833 62 D CB -0.143 40.590 40.800 -0.112 0.000 0.954 62 D HN 0.425 nan 8.370 nan 0.000 0.455 63 H N -0.171 118.966 119.070 0.112 0.000 2.353 63 H HA -0.183 4.373 4.556 0.000 0.000 0.298 63 H C 2.052 177.424 175.328 0.073 0.000 1.103 63 H CA 1.143 57.252 56.048 0.101 0.000 1.293 63 H CB -0.780 29.068 29.762 0.143 0.000 1.372 63 H HN 0.357 nan 8.280 nan 0.000 0.501 64 Y N 1.717 122.066 120.300 0.082 0.000 2.114 64 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 64 Y C 2.746 178.601 175.900 -0.075 0.000 1.143 64 Y CA 1.721 59.743 58.100 -0.130 0.000 1.135 64 Y CB -0.100 38.193 38.460 -0.278 0.000 0.980 64 Y HN -0.040 nan 8.280 nan 0.000 0.499 65 R N 0.056 120.632 120.500 0.127 0.000 2.092 65 R HA -0.140 4.200 4.340 0.000 0.000 0.231 65 R C 1.796 178.076 176.300 -0.034 0.000 1.119 65 R CA 1.348 57.466 56.100 0.029 0.000 0.970 65 R CB -0.316 30.038 30.300 0.090 0.000 0.864 65 R HN 0.411 nan 8.270 nan 0.000 0.440 66 D N 0.202 120.604 120.400 0.004 0.000 2.092 66 D HA -0.141 4.499 4.640 0.000 0.000 0.193 66 D C 1.966 178.253 176.300 -0.022 0.000 0.994 66 D CA 1.175 55.180 54.000 0.008 0.000 0.828 66 D CB -0.265 40.569 40.800 0.057 0.000 0.963 66 D HN -0.014 nan 8.370 nan 0.000 0.450 67 V N 1.105 120.987 119.914 -0.052 0.000 2.295 67 V HA -0.215 3.905 4.120 0.000 0.000 0.246 67 V C 2.503 178.532 176.094 -0.109 0.000 1.049 67 V CA 1.134 63.387 62.300 -0.078 0.000 1.024 67 V CB -0.510 31.237 31.823 -0.126 0.000 0.648 67 V HN 0.138 nan 8.190 nan 0.000 0.447 68 L N 0.615 121.707 121.223 -0.219 0.000 2.043 68 L HA -0.228 4.112 4.340 0.000 0.000 0.212 68 L C 2.418 179.221 176.870 -0.111 0.000 1.075 68 L CA 2.427 57.133 54.840 -0.222 0.000 0.752 68 L CB -0.862 40.991 42.059 -0.342 0.000 0.891 68 L HN 0.301 nan 8.230 nan 0.000 0.432 69 K N -0.414 119.939 120.400 -0.078 0.000 2.020 69 K HA -0.245 4.075 4.320 0.000 0.000 0.212 69 K C 1.985 178.568 176.600 -0.028 0.000 1.050 69 K CA 2.141 58.403 56.287 -0.041 0.000 0.929 69 K CB -0.223 32.263 32.500 -0.024 0.000 0.714 69 K HN 0.531 nan 8.250 nan 0.000 0.443 70 E N 0.057 120.246 120.200 -0.019 0.000 2.085 70 E HA -0.231 4.119 4.350 0.000 0.000 0.194 70 E C 2.102 178.700 176.600 -0.004 0.000 0.994 70 E CA 1.853 58.253 56.400 -0.000 0.000 0.801 70 E CB -0.117 29.595 29.700 0.021 0.000 0.743 70 E HN 0.396 nan 8.360 nan 0.000 0.453 71 M N 0.430 120.024 119.600 -0.011 0.000 2.132 71 M HA -0.151 4.329 4.480 0.000 0.000 0.263 71 M C 2.146 178.418 176.300 -0.047 0.000 1.065 71 M CA 1.383 56.668 55.300 -0.025 0.000 1.122 71 M CB -0.096 32.489 32.600 -0.025 0.000 1.365 71 M HN -0.063 nan 8.290 nan 0.000 0.411 72 K N 0.402 120.774 120.400 -0.048 0.000 2.057 72 K HA -0.085 4.235 4.320 0.000 0.000 0.207 72 K C 2.149 178.732 176.600 -0.029 0.000 1.049 72 K CA 1.401 57.663 56.287 -0.042 0.000 0.931 72 K CB -0.296 32.180 32.500 -0.041 0.000 0.714 72 K HN 0.295 nan 8.250 nan 0.000 0.440 73 A N 1.961 124.767 122.820 -0.023 0.000 1.883 73 A HA -0.237 4.083 4.320 0.000 0.000 0.217 73 A C 1.928 179.501 177.584 -0.019 0.000 1.186 73 A CA 1.736 53.764 52.037 -0.016 0.000 0.624 73 A CB -0.335 18.659 19.000 -0.010 0.000 0.822 73 A HN 0.209 nan 8.150 nan 0.000 0.444 74 K N -0.508 119.877 120.400 -0.026 0.000 2.057 74 K HA 0.020 4.340 4.320 0.000 0.000 0.206 74 K C 2.257 178.833 176.600 -0.041 0.000 1.050 74 K CA 1.003 57.269 56.287 -0.035 0.000 0.935 74 K CB -0.301 32.171 32.500 -0.048 0.000 0.715 74 K HN 0.436 nan 8.250 nan 0.000 0.439 75 A N 1.393 124.187 122.820 -0.043 0.000 1.972 75 A HA -0.174 4.146 4.320 0.000 0.000 0.219 75 A C 2.112 179.685 177.584 -0.019 0.000 1.169 75 A CA 1.982 53.998 52.037 -0.036 0.000 0.635 75 A CB -0.669 18.312 19.000 -0.031 0.000 0.810 75 A HN 0.394 nan 8.150 nan 0.000 0.446 76 S N -0.011 115.679 115.700 -0.016 0.000 2.469 76 S HA -0.150 4.320 4.470 0.000 0.000 0.238 76 S C 1.749 176.344 174.600 -0.008 0.000 0.998 76 S CA 1.888 60.084 58.200 -0.008 0.000 0.957 76 S CB -1.141 62.055 63.200 -0.007 0.000 0.764 76 S HN 0.807 nan 8.310 nan 0.000 0.514 77 T N -0.850 113.696 114.554 -0.014 0.000 3.081 77 T HA 0.276 4.626 4.350 0.000 0.000 0.255 77 T C 0.511 175.202 174.700 -0.015 0.000 1.113 77 T CA -0.045 62.047 62.100 -0.014 0.000 1.082 77 T CB -0.452 68.406 68.868 -0.017 0.000 0.939 77 T HN 0.178 nan 8.240 nan 0.000 0.506 78 V N 2.160 122.064 119.914 -0.018 0.000 2.530 78 V HA 0.353 4.473 4.120 0.000 0.000 0.282 78 V C 0.153 176.242 176.094 -0.008 0.000 1.048 78 V CA -0.733 61.555 62.300 -0.020 0.000 0.997 78 V CB 1.057 32.863 31.823 -0.028 0.000 0.987 78 V HN 0.397 nan 8.190 nan 0.000 0.477 79 K N 3.907 124.302 120.400 -0.008 0.000 2.307 79 K HA 0.755 5.076 4.320 0.000 0.000 0.263 79 K C -0.610 175.989 176.600 -0.000 0.000 0.973 79 K CA -0.383 55.904 56.287 0.000 0.000 0.846 79 K CB 1.425 33.926 32.500 0.002 0.000 1.100 79 K HN 0.828 nan 8.250 nan 0.000 0.438 80 A N 3.882 126.706 122.820 0.006 0.000 2.401 80 A HA 0.562 4.882 4.320 0.000 0.000 0.310 80 A C -1.396 176.201 177.584 0.022 0.000 1.075 80 A CA -0.967 51.074 52.037 0.008 0.000 0.746 80 A CB 1.044 20.043 19.000 -0.001 0.000 1.277 80 A HN 0.829 nan 8.150 nan 0.000 0.425 81 K N 1.662 122.078 120.400 0.027 0.000 2.208 81 K HA 0.754 5.074 4.320 0.000 0.000 0.247 81 K C -1.050 175.574 176.600 0.039 0.000 0.953 81 K CA -0.661 55.645 56.287 0.031 0.000 0.837 81 K CB 1.344 33.858 32.500 0.023 0.000 1.131 81 K HN 0.508 nan 8.250 nan 0.000 0.431 82 L N 2.426 123.669 121.223 0.034 0.000 2.485 82 L HA 0.045 4.385 4.340 0.000 0.000 0.275 82 L C -0.124 176.727 176.870 -0.031 0.000 1.207 82 L CA -0.596 54.249 54.840 0.009 0.000 0.855 82 L CB 0.111 42.165 42.059 -0.008 0.000 1.114 82 L HN 0.505 nan 8.230 nan 0.000 0.485 83 L N 2.349 123.536 121.223 -0.060 0.000 2.375 83 L HA 0.230 4.570 4.340 0.000 0.000 0.271 83 L C 0.532 177.292 176.870 -0.184 0.000 1.107 83 L CA 0.370 55.154 54.840 -0.093 0.000 0.806 83 L CB 1.569 43.576 42.059 -0.086 0.000 1.146 83 L HN 0.735 nan 8.230 nan 0.000 0.447 84 S N 1.367 116.971 115.700 -0.160 0.000 2.593 84 S HA 0.209 4.679 4.470 0.000 0.000 0.269 84 S C 1.361 175.821 174.600 -0.233 0.000 1.334 84 S CA -0.669 57.415 58.200 -0.193 0.000 1.015 84 S CB 0.864 63.989 63.200 -0.126 0.000 0.912 84 S HN 0.348 nan 8.310 nan 0.000 0.541 85 V N 1.939 121.685 119.914 -0.280 0.000 2.278 85 V HA -0.230 3.890 4.120 0.000 0.000 0.251 85 V C 2.639 178.627 176.094 -0.177 0.000 1.062 85 V CA 2.566 64.700 62.300 -0.277 0.000 1.038 85 V CB -1.442 30.186 31.823 -0.325 0.000 0.646 85 V HN 0.887 nan 8.190 nan 0.000 0.447 86 E N 0.243 120.363 120.200 -0.134 0.000 2.049 86 E HA -0.240 4.110 4.350 0.000 0.000 0.198 86 E C 2.176 178.711 176.600 -0.108 0.000 1.007 86 E CA 1.780 58.120 56.400 -0.100 0.000 0.809 86 E CB -0.387 29.269 29.700 -0.075 0.000 0.749 86 E HN 0.709 nan 8.360 nan 0.000 0.450 87 E N 0.120 120.248 120.200 -0.119 0.000 2.077 87 E HA -0.174 4.176 4.350 0.000 0.000 0.193 87 E C 2.018 178.515 176.600 -0.172 0.000 0.989 87 E CA 1.100 57.422 56.400 -0.130 0.000 0.800 87 E CB -0.194 29.434 29.700 -0.120 0.000 0.746 87 E HN 0.296 nan 8.360 nan 0.000 0.452 88 A N 0.545 123.258 122.820 -0.178 0.000 1.930 88 A HA -0.176 4.145 4.320 0.000 0.000 0.217 88 A C 2.380 179.873 177.584 -0.152 0.000 1.175 88 A CA 1.072 52.998 52.037 -0.186 0.000 0.627 88 A CB -0.785 18.114 19.000 -0.169 0.000 0.815 88 A HN 0.368 nan 8.150 nan 0.000 0.443 89 C N -0.130 119.095 119.300 -0.126 0.000 2.429 89 C HA -0.056 4.404 4.460 0.000 0.000 0.277 89 C C 2.494 177.425 174.990 -0.098 0.000 1.262 89 C CA 1.236 60.197 59.018 -0.096 0.000 1.733 89 C CB -0.705 26.984 27.740 -0.085 0.000 2.010 89 C HN 0.483 nan 8.230 nan 0.000 0.483 90 K N 0.907 121.246 120.400 -0.102 0.000 2.439 90 K HA 0.106 4.426 4.320 0.000 0.000 0.197 90 K C 1.431 177.987 176.600 -0.073 0.000 1.041 90 K CA 0.718 56.958 56.287 -0.078 0.000 0.970 90 K CB -0.466 31.995 32.500 -0.065 0.000 0.773 90 K HN 0.528 nan 8.250 nan 0.000 0.479 91 L N 0.992 122.131 121.223 -0.141 0.000 2.591 91 L HA 0.019 4.359 4.340 0.000 0.000 0.228 91 L C 0.208 176.997 176.870 -0.136 0.000 1.133 91 L CA 0.207 54.937 54.840 -0.184 0.000 0.880 91 L CB -0.098 41.732 42.059 -0.381 0.000 1.033 91 L HN -0.090 nan 8.230 nan 0.000 0.450 92 T N 1.587 116.070 114.554 -0.118 0.000 2.780 92 T HA 0.232 4.582 4.350 0.000 0.000 0.294 92 T C -2.329 172.240 174.700 -0.219 0.000 0.949 92 T CA -1.231 60.792 62.100 -0.128 0.000 1.074 92 T CB 1.072 69.880 68.868 -0.099 0.000 0.910 92 T HN -0.153 nan 8.240 nan 0.000 0.501 93 P HA 0.111 nan 4.420 nan 0.000 0.265 93 P C -1.877 175.130 177.300 -0.489 0.000 1.193 93 P CA -1.269 61.566 63.100 -0.441 0.000 0.765 93 P CB 0.139 31.730 31.700 -0.182 0.000 0.823 94 P HA -0.178 nan 4.420 nan 0.000 0.218 94 P C 0.641 177.615 177.300 -0.543 0.000 1.146 94 P CA 1.736 64.454 63.100 -0.637 0.000 0.813 94 P CB -0.121 31.094 31.700 -0.808 0.000 0.778 95 H N -2.406 116.551 119.070 -0.188 0.000 2.528 95 H HA 0.257 4.813 4.556 0.000 0.000 0.282 95 H C 0.461 175.721 175.328 -0.112 0.000 1.097 95 H CA -0.323 55.653 56.048 -0.121 0.000 1.121 95 H CB -0.112 29.593 29.762 -0.095 0.000 1.590 95 H HN 0.048 nan 8.280 nan 0.000 0.553 96 S N 1.239 116.906 115.700 -0.055 0.000 2.558 96 S HA 0.240 4.710 4.470 0.000 0.000 0.288 96 S C 0.740 175.311 174.600 -0.047 0.000 1.318 96 S CA -0.404 57.754 58.200 -0.070 0.000 1.056 96 S CB 0.280 63.430 63.200 -0.084 0.000 0.853 96 S HN 0.509 nan 8.310 nan 0.000 0.505 97 A N 4.980 127.759 122.820 -0.068 0.000 2.580 97 A HA 0.174 4.494 4.320 0.000 0.000 0.244 97 A C 0.686 178.265 177.584 -0.008 0.000 1.045 97 A CA 0.140 52.163 52.037 -0.022 0.000 0.761 97 A CB -0.268 18.737 19.000 0.008 0.000 0.962 97 A HN 0.892 nan 8.150 nan 0.000 0.512 98 K N 2.309 122.693 120.400 -0.027 0.000 2.230 98 K HA 0.332 4.652 4.320 0.000 0.000 0.253 98 K C 0.371 176.885 176.600 -0.144 0.000 1.008 98 K CA 0.033 56.267 56.287 -0.090 0.000 0.910 98 K CB 0.385 32.835 32.500 -0.083 0.000 0.994 98 K HN 0.442 nan 8.250 nan 0.000 0.495 99 S N -0.064 115.433 115.700 -0.338 0.000 2.592 99 S HA 0.074 4.545 4.470 0.000 0.000 0.271 99 S C 0.686 175.089 174.600 -0.328 0.000 1.326 99 S CA -0.553 57.411 58.200 -0.394 0.000 1.024 99 S CB 0.747 63.373 63.200 -0.957 0.000 0.921 99 S HN 0.682 nan 8.310 nan 0.000 0.527 100 K N 1.829 122.011 120.400 -0.363 0.000 2.362 100 K HA 0.000 4.320 4.320 0.000 0.000 0.200 100 K C -0.052 176.135 176.600 -0.688 0.000 1.046 100 K CA 1.113 57.050 56.287 -0.583 0.000 0.952 100 K CB -0.110 31.875 32.500 -0.858 0.000 0.753 100 K HN 0.602 nan 8.250 nan 0.000 0.466 101 F N 0.103 119.896 119.950 -0.261 0.000 2.837 101 F HA 0.267 4.795 4.527 0.000 0.000 0.298 101 F C 0.955 176.695 175.800 -0.100 0.000 1.161 101 F CA -0.348 57.510 58.000 -0.237 0.000 1.353 101 F CB 0.820 39.500 39.000 -0.532 0.000 0.951 101 F HN 0.032 nan 8.300 nan 0.000 0.508 102 G N 0.525 109.318 108.800 -0.012 0.000 2.142 102 G HA2 -0.274 3.686 3.960 0.000 0.000 0.225 102 G HA3 -0.274 3.686 3.960 0.000 0.000 0.225 102 G C -0.377 174.636 174.900 0.188 0.000 1.015 102 G CA 0.104 45.249 45.100 0.075 0.000 0.716 102 G HN 0.585 nan 8.290 nan 0.000 0.508 103 Y N -2.734 117.566 120.300 0.000 0.000 2.638 103 Y HA 0.771 5.321 4.550 0.000 0.000 0.335 103 Y C 0.379 176.287 175.900 0.014 0.000 1.155 103 Y CA -1.016 57.091 58.100 0.010 0.000 1.046 103 Y CB 0.597 39.070 38.460 0.023 0.000 1.303 103 Y HN 0.662 nan 8.280 nan 0.000 0.460 104 G N -0.161 108.704 108.800 0.107 0.000 3.108 104 G HA2 0.541 4.501 3.960 0.000 0.000 0.268 104 G HA3 0.541 4.501 3.960 0.000 0.000 0.268 104 G C 0.231 175.182 174.900 0.084 0.000 1.361 104 G CA -0.769 44.342 45.100 0.019 0.000 1.047 104 G HN 1.176 nan 8.290 nan 0.000 0.540 105 A N -0.397 122.432 122.820 0.014 0.000 1.902 105 A HA -0.018 4.302 4.320 0.000 0.000 0.217 105 A C 2.256 179.815 177.584 -0.041 0.000 1.181 105 A CA 2.194 54.220 52.037 -0.019 0.000 0.623 105 A CB -0.431 18.521 19.000 -0.081 0.000 0.818 105 A HN 0.498 nan 8.150 nan 0.000 0.443 106 K N 0.435 120.808 120.400 -0.045 0.000 2.063 106 K HA -0.124 4.196 4.320 0.000 0.000 0.208 106 K C 1.550 178.142 176.600 -0.014 0.000 1.048 106 K CA 1.675 57.929 56.287 -0.054 0.000 0.928 106 K CB -0.257 32.218 32.500 -0.042 0.000 0.713 106 K HN 0.505 nan 8.250 nan 0.000 0.442 107 D N -0.182 120.241 120.400 0.039 0.000 2.144 107 D HA -0.128 4.512 4.640 0.000 0.000 0.199 107 D C 1.884 178.205 176.300 0.034 0.000 0.984 107 D CA 0.917 54.951 54.000 0.056 0.000 0.834 107 D CB -0.193 40.687 40.800 0.132 0.000 0.955 107 D HN -0.047 nan 8.370 nan 0.000 0.465 108 V N 1.389 121.345 119.914 0.070 0.000 2.270 108 V HA -0.224 3.896 4.120 0.000 0.000 0.245 108 V C 2.519 178.597 176.094 -0.028 0.000 1.043 108 V CA 1.565 63.884 62.300 0.032 0.000 1.014 108 V CB -0.316 31.556 31.823 0.081 0.000 0.645 108 V HN 0.135 nan 8.190 nan 0.000 0.447 109 R N 0.339 120.810 120.500 -0.048 0.000 2.120 109 R HA -0.113 4.227 4.340 0.000 0.000 0.234 109 R C 1.835 178.101 176.300 -0.056 0.000 1.123 109 R CA 1.398 57.455 56.100 -0.073 0.000 0.975 109 R CB -0.428 29.803 30.300 -0.115 0.000 0.866 109 R HN 0.509 nan 8.270 nan 0.000 0.446 110 N N 0.994 119.668 118.700 -0.044 0.000 2.461 110 N HA 0.031 4.771 4.740 0.000 0.000 0.188 110 N C 0.290 175.779 175.510 -0.035 0.000 1.134 110 N CA 0.344 53.373 53.050 -0.036 0.000 0.878 110 N CB 0.176 38.647 38.487 -0.027 0.000 0.972 110 N HN 0.168 nan 8.380 nan 0.000 0.456 111 L N 0.868 122.066 121.223 -0.041 0.000 3.634 111 L HA -0.219 4.121 4.340 0.000 0.000 0.423 111 L C 0.219 177.063 176.870 -0.044 0.000 1.253 111 L CA -0.060 54.753 54.840 -0.046 0.000 0.885 111 L CB -2.675 39.359 42.059 -0.041 0.000 1.789 111 L HN 0.132 nan 8.230 nan 0.000 0.904 112 S N -1.936 113.737 115.700 -0.045 0.000 2.560 112 S HA 0.243 4.713 4.470 0.000 0.000 0.284 112 S C 1.432 175.995 174.600 -0.061 0.000 1.327 112 S CA 0.068 58.242 58.200 -0.042 0.000 1.055 112 S CB 1.798 64.981 63.200 -0.028 0.000 0.868 112 S HN 0.302 nan 8.310 nan 0.000 0.506 113 S N 2.432 118.106 115.700 -0.044 0.000 2.374 113 S HA -0.153 4.317 4.470 0.000 0.000 0.227 113 S C 1.885 176.448 174.600 -0.062 0.000 1.037 113 S CA 1.420 59.594 58.200 -0.043 0.000 1.024 113 S CB -0.416 62.766 63.200 -0.030 0.000 0.861 113 S HN 0.791 nan 8.310 nan 0.000 0.456 114 K N 1.044 121.403 120.400 -0.069 0.000 2.097 114 K HA -0.001 4.319 4.320 0.000 0.000 0.205 114 K C 2.253 178.689 176.600 -0.273 0.000 1.050 114 K CA 1.101 57.336 56.287 -0.087 0.000 0.938 114 K CB -0.336 32.151 32.500 -0.022 0.000 0.718 114 K HN 0.327 nan 8.250 nan 0.000 0.442 115 A N 0.689 123.266 122.820 -0.406 0.000 1.841 115 A HA -0.110 4.210 4.320 0.000 0.000 0.214 115 A C 2.318 179.650 177.584 -0.420 0.000 1.195 115 A CA 1.597 53.153 52.037 -0.802 0.000 0.611 115 A CB -0.762 17.970 19.000 -0.447 0.000 0.835 115 A HN 0.111 nan 8.150 nan 0.000 0.443 116 V N 1.017 120.820 119.914 -0.185 0.000 2.343 116 V HA -0.318 3.802 4.120 0.000 0.000 0.247 116 V C 2.194 178.342 176.094 0.090 0.000 1.051 116 V CA 2.314 64.587 62.300 -0.045 0.000 1.036 116 V CB -1.280 30.549 31.823 0.010 0.000 0.654 116 V HN 0.633 nan 8.190 nan 0.000 0.451 117 N N -0.959 117.761 118.700 0.034 0.000 2.084 117 N HA -0.239 4.501 4.740 0.000 0.000 0.190 117 N C 1.999 177.547 175.510 0.063 0.000 1.030 117 N CA 1.365 54.449 53.050 0.057 0.000 0.849 117 N CB -0.293 38.197 38.487 0.005 0.000 1.012 117 N HN 0.601 nan 8.380 nan 0.000 0.423 118 H N 1.347 120.363 119.070 -0.090 0.000 2.353 118 H HA -0.050 4.506 4.556 0.000 0.000 0.300 118 H C 2.130 177.439 175.328 -0.032 0.000 1.090 118 H CA 1.240 57.247 56.048 -0.069 0.000 1.327 118 H CB 0.010 29.746 29.762 -0.044 0.000 1.383 118 H HN 0.178 nan 8.280 nan 0.000 0.508 119 I N 0.302 120.810 120.570 -0.104 0.000 2.208 119 I HA -0.312 3.858 4.170 0.000 0.000 0.245 119 I C 2.382 178.421 176.117 -0.131 0.000 1.097 119 I CA 1.567 62.790 61.300 -0.128 0.000 1.363 119 I CB -0.425 37.499 38.000 -0.126 0.000 1.051 119 I HN 0.317 nan 8.210 nan 0.000 0.413 120 H N -0.017 119.010 119.070 -0.072 0.000 2.352 120 H HA -0.174 4.382 4.556 0.000 0.000 0.299 120 H C 2.542 177.874 175.328 0.005 0.000 1.097 120 H CA 2.040 58.078 56.048 -0.016 0.000 1.311 120 H CB -0.091 29.650 29.762 -0.035 0.000 1.377 120 H HN 0.397 nan 8.280 nan 0.000 0.504 121 S N -0.207 115.508 115.700 0.024 0.000 2.406 121 S HA -0.104 4.366 4.470 0.000 0.000 0.228 121 S C 2.240 176.767 174.600 -0.122 0.000 1.020 121 S CA 1.051 59.219 58.200 -0.054 0.000 0.965 121 S CB -0.604 62.536 63.200 -0.099 0.000 0.798 121 S HN 0.166 nan 8.310 nan 0.000 0.488 122 V N 0.789 120.570 119.914 -0.222 0.000 2.358 122 V HA -0.112 4.008 4.120 0.000 0.000 0.246 122 V C 2.241 178.318 176.094 -0.028 0.000 1.047 122 V CA 1.749 63.939 62.300 -0.183 0.000 1.035 122 V CB -1.083 30.608 31.823 -0.220 0.000 0.658 122 V HN 0.708 nan 8.190 nan 0.000 0.452 123 W N 1.423 122.638 121.300 -0.142 0.000 2.379 123 W HA -0.200 4.460 4.660 0.000 0.000 0.307 123 W C 2.526 179.005 176.519 -0.068 0.000 1.200 123 W CA 2.165 59.450 57.345 -0.099 0.000 1.297 123 W CB -0.156 29.238 29.460 -0.111 0.000 1.140 123 W HN 0.229 nan 8.180 nan 0.000 0.507 124 K N 0.635 121.085 120.400 0.082 0.000 2.044 124 K HA -0.304 4.016 4.320 0.000 0.000 0.210 124 K C 1.747 178.282 176.600 -0.109 0.000 1.049 124 K CA 2.458 58.738 56.287 -0.012 0.000 0.927 124 K CB -0.669 31.859 32.500 0.048 0.000 0.713 124 K HN 0.053 nan 8.250 nan 0.000 0.443 125 D N 0.011 120.350 120.400 -0.102 0.000 2.144 125 D HA -0.141 4.499 4.640 0.000 0.000 0.199 125 D C 1.978 178.181 176.300 -0.161 0.000 0.984 125 D CA 0.893 54.825 54.000 -0.114 0.000 0.834 125 D CB 0.081 40.820 40.800 -0.101 0.000 0.955 125 D HN 0.227 nan 8.370 nan 0.000 0.465 126 L N -0.085 120.999 121.223 -0.232 0.000 2.056 126 L HA -0.123 4.217 4.340 0.000 0.000 0.207 126 L C 2.396 179.063 176.870 -0.339 0.000 1.078 126 L CA 0.665 55.323 54.840 -0.303 0.000 0.749 126 L CB -0.288 41.523 42.059 -0.413 0.000 0.901 126 L HN 0.239 nan 8.230 nan 0.000 0.433 127 L N -0.889 120.091 121.223 -0.405 0.000 2.109 127 L HA -0.170 4.170 4.340 0.000 0.000 0.207 127 L C 2.364 179.126 176.870 -0.181 0.000 1.086 127 L CA 1.164 55.812 54.840 -0.319 0.000 0.760 127 L CB -0.434 41.433 42.059 -0.319 0.000 0.910 127 L HN 0.283 nan 8.230 nan 0.000 0.437 128 E N -0.673 119.439 120.200 -0.147 0.000 2.112 128 E HA -0.122 4.228 4.350 0.000 0.000 0.190 128 E C 0.410 176.960 176.600 -0.085 0.000 0.979 128 E CA 0.566 56.909 56.400 -0.094 0.000 0.814 128 E CB 0.280 29.936 29.700 -0.074 0.000 0.762 128 E HN 0.198 nan 8.360 nan 0.000 0.460 129 D N -0.194 120.147 120.400 -0.098 0.000 2.481 129 D HA 0.042 4.682 4.640 0.000 0.000 0.246 129 D C -0.184 176.063 176.300 -0.088 0.000 1.109 129 D CA -0.215 53.738 54.000 -0.078 0.000 0.845 129 D CB 1.438 42.197 40.800 -0.068 0.000 1.160 129 D HN -0.028 nan 8.370 nan 0.000 0.534 130 T N 0.459 114.970 114.554 -0.072 0.000 3.174 130 T HA 0.196 4.546 4.350 0.000 0.000 0.269 130 T C 1.163 175.833 174.700 -0.051 0.000 1.017 130 T CA 0.391 62.449 62.100 -0.070 0.000 0.899 130 T CB -0.206 68.625 68.868 -0.061 0.000 1.077 130 T HN 0.208 nan 8.240 nan 0.000 0.552 131 V N -2.788 117.100 119.914 -0.043 0.000 3.251 131 V HA 0.386 4.506 4.120 0.000 0.000 0.239 131 V C 0.587 176.670 176.094 -0.019 0.000 1.332 131 V CA 0.023 62.306 62.300 -0.027 0.000 1.224 131 V CB -0.176 31.634 31.823 -0.022 0.000 1.004 131 V HN 0.290 nan 8.190 nan 0.000 0.464 132 T N 4.830 119.371 114.554 -0.022 0.000 2.769 132 T HA 0.376 4.726 4.350 0.000 0.000 0.293 132 T C -2.523 172.174 174.700 -0.005 0.000 0.931 132 T CA -0.417 61.678 62.100 -0.008 0.000 1.139 132 T CB 0.680 69.543 68.868 -0.009 0.000 0.881 132 T HN 0.384 nan 8.240 nan 0.000 0.532 133 P HA 0.124 nan 4.420 nan 0.000 0.264 133 P C -0.212 177.088 177.300 0.002 0.000 1.183 133 P CA -0.034 63.078 63.100 0.021 0.000 0.763 133 P CB 0.338 32.094 31.700 0.094 0.000 0.807 134 I N 2.236 122.789 120.570 -0.028 0.000 2.396 134 I HA 0.147 4.317 4.170 0.000 0.000 0.292 134 I C 0.908 177.012 176.117 -0.022 0.000 0.999 134 I CA -0.466 60.822 61.300 -0.020 0.000 1.310 134 I CB 0.785 38.761 38.000 -0.040 0.000 1.404 134 I HN 0.310 nan 8.210 nan 0.000 0.496 135 D N 4.190 124.593 120.400 0.005 0.000 2.414 135 D HA 0.161 4.801 4.640 0.000 0.000 0.242 135 D C -0.290 175.982 176.300 -0.046 0.000 1.129 135 D CA 0.245 54.237 54.000 -0.013 0.000 0.885 135 D CB 0.780 41.589 40.800 0.015 0.000 1.198 135 D HN 0.614 nan 8.370 nan 0.000 0.437 136 T N -0.305 114.194 114.554 -0.091 0.000 2.916 136 T HA 0.614 4.964 4.350 0.000 0.000 0.292 136 T C -0.277 174.282 174.700 -0.234 0.000 1.055 136 T CA -0.966 61.041 62.100 -0.154 0.000 1.009 136 T CB 1.591 70.389 68.868 -0.115 0.000 1.118 136 T HN 0.220 nan 8.240 nan 0.000 0.497 137 T N 2.237 116.503 114.554 -0.480 0.000 2.829 137 T HA 0.571 4.921 4.350 0.000 0.000 0.282 137 T C -0.358 174.091 174.700 -0.418 0.000 0.990 137 T CA -0.590 61.196 62.100 -0.524 0.000 1.028 137 T CB 0.741 69.115 68.868 -0.823 0.000 0.951 137 T HN 0.722 nan 8.240 nan 0.000 0.460 138 I N 4.173 124.659 120.570 -0.140 0.000 2.378 138 I HA 0.496 4.666 4.170 0.000 0.000 0.291 138 I C -0.911 175.244 176.117 0.064 0.000 0.992 138 I CA -0.765 60.546 61.300 0.017 0.000 1.154 138 I CB 0.578 38.637 38.000 0.098 0.000 1.315 138 I HN 0.410 nan 8.210 nan 0.000 0.448 139 M N 6.464 126.154 119.600 0.150 0.000 2.591 139 M HA 0.522 5.002 4.480 0.000 0.000 0.306 139 M C -0.527 175.842 176.300 0.115 0.000 1.190 139 M CA -0.640 54.750 55.300 0.150 0.000 0.889 139 M CB 1.835 34.580 32.600 0.242 0.000 1.728 139 M HN 0.585 nan 8.290 nan 0.000 0.458 140 A N 2.438 125.303 122.820 0.074 0.000 2.289 140 A HA 0.472 4.792 4.320 0.000 0.000 0.298 140 A C 0.035 177.655 177.584 0.060 0.000 1.208 140 A CA -0.536 51.535 52.037 0.057 0.000 0.845 140 A CB 0.348 19.367 19.000 0.031 0.000 1.125 140 A HN 0.729 nan 8.150 nan 0.000 0.517 141 K N 2.263 122.700 120.400 0.062 0.000 2.326 141 K HA 0.109 4.429 4.320 0.000 0.000 0.275 141 K C -0.656 175.953 176.600 0.016 0.000 1.018 141 K CA -0.222 56.088 56.287 0.039 0.000 0.962 141 K CB 0.486 33.014 32.500 0.046 0.000 0.953 141 K HN 0.672 nan 8.250 nan 0.000 0.475 142 N N 3.656 122.336 118.700 -0.032 0.000 2.485 142 N HA 0.168 4.908 4.740 0.000 0.000 0.243 142 N C -0.766 174.623 175.510 -0.201 0.000 0.987 142 N CA -0.151 52.844 53.050 -0.091 0.000 0.940 142 N CB 1.281 39.714 38.487 -0.090 0.000 1.122 142 N HN 0.474 nan 8.380 nan 0.000 0.509 143 E N 0.377 120.434 120.200 -0.239 0.000 2.343 143 E HA 0.465 4.815 4.350 0.000 0.000 0.270 143 E C -0.751 175.406 176.600 -0.738 0.000 0.895 143 E CA -0.945 55.182 56.400 -0.455 0.000 0.767 143 E CB 2.572 32.054 29.700 -0.363 0.000 1.248 143 E HN 0.071 nan 8.360 nan 0.000 0.440 144 V N 2.931 122.260 119.914 -0.975 0.000 2.439 144 V HA 0.471 4.591 4.120 0.000 0.000 0.282 144 V C -0.792 174.605 176.094 -1.162 0.000 1.039 144 V CA -0.207 61.526 62.300 -0.946 0.000 0.913 144 V CB 0.157 31.554 31.823 -0.709 0.000 0.983 144 V HN 0.500 nan 8.190 nan 0.000 0.460 145 F N 2.182 121.750 119.950 -0.637 0.000 2.675 145 F HA 0.607 5.134 4.527 0.000 0.000 0.324 145 F C 0.056 175.672 175.800 -0.307 0.000 1.106 145 F CA -0.776 56.945 58.000 -0.466 0.000 0.970 145 F CB 1.344 40.069 39.000 -0.457 0.000 1.385 145 F HN 0.514 nan 8.300 nan 0.000 0.489 146 C N 2.753 122.164 119.300 0.184 0.000 2.341 146 C HA 0.780 5.240 4.460 0.000 0.000 0.338 146 C C 0.089 175.291 174.990 0.354 0.000 1.257 146 C CA -0.747 58.412 59.018 0.236 0.000 1.883 146 C CB -0.046 27.781 27.740 0.146 0.000 2.334 146 C HN 0.741 nan 8.230 nan 0.000 0.524 147 V N 5.620 125.761 119.914 0.380 0.000 2.928 147 V HA 0.273 4.393 4.120 0.000 0.000 0.307 147 V C -0.172 176.005 176.094 0.138 0.000 1.105 147 V CA 0.444 62.894 62.300 0.250 0.000 1.223 147 V CB 0.105 31.999 31.823 0.118 0.000 0.930 147 V HN 1.000 nan 8.190 nan 0.000 0.499 155 K N 2.277 122.683 120.400 0.010 0.000 2.205 155 K HA 0.370 4.690 4.320 0.000 0.000 0.279 155 K C -2.316 174.307 176.600 0.039 0.000 1.027 155 K CA -1.748 54.513 56.287 -0.045 0.000 0.932 155 K CB 0.748 33.090 32.500 -0.264 0.000 1.032 155 K HN 0.199 nan 8.250 nan 0.000 0.466 156 P HA 0.027 nan 4.420 nan 0.000 0.274 156 P C -0.857 176.485 177.300 0.070 0.000 1.231 156 P CA -0.448 62.673 63.100 0.035 0.000 0.790 156 P CB 0.618 32.321 31.700 0.004 0.000 0.951 157 A N 3.185 126.056 122.820 0.085 0.000 2.584 157 A HA -0.018 4.302 4.320 0.000 0.000 0.239 157 A C 0.559 178.189 177.584 0.078 0.000 1.043 157 A CA 0.297 52.392 52.037 0.096 0.000 0.756 157 A CB -0.499 18.542 19.000 0.069 0.000 0.963 157 A HN 0.479 nan 8.150 nan 0.000 0.511 158 R N 0.697 121.260 120.500 0.105 0.000 2.641 158 R HA 0.435 4.775 4.340 0.000 0.000 0.269 158 R C -0.490 175.864 176.300 0.089 0.000 1.074 158 R CA -0.040 56.120 56.100 0.100 0.000 1.133 158 R CB 0.368 30.743 30.300 0.125 0.000 1.029 158 R HN 0.694 nan 8.270 nan 0.000 0.488 159 L N 3.282 124.561 121.223 0.094 0.000 2.309 159 L HA 0.480 4.820 4.340 0.000 0.000 0.282 159 L C -0.385 176.573 176.870 0.146 0.000 1.036 159 L CA -0.812 54.089 54.840 0.100 0.000 0.806 159 L CB 1.464 43.567 42.059 0.072 0.000 1.220 159 L HN 0.498 nan 8.230 nan 0.000 0.429 160 I N 2.889 123.564 120.570 0.175 0.000 2.441 160 I HA 0.503 4.673 4.170 0.000 0.000 0.295 160 I C -0.872 175.432 176.117 0.312 0.000 0.994 160 I CA -0.334 61.109 61.300 0.237 0.000 1.144 160 I CB 1.834 39.962 38.000 0.214 0.000 1.314 160 I HN 0.204 nan 8.210 nan 0.000 0.445 161 V N 8.600 128.701 119.914 0.311 0.000 2.483 161 V HA 0.594 4.714 4.120 0.000 0.000 0.297 161 V C -0.905 175.372 176.094 0.304 0.000 1.027 161 V CA -0.479 61.956 62.300 0.224 0.000 0.855 161 V CB 1.193 33.124 31.823 0.180 0.000 0.995 161 V HN 0.605 nan 8.190 nan 0.000 0.424 162 F N 5.004 125.000 119.950 0.076 0.000 2.641 162 F HA 0.925 5.452 4.527 -0.000 0.000 0.308 162 F C -3.138 172.701 175.800 0.065 0.000 1.105 162 F CA -2.488 55.557 58.000 0.074 0.000 0.964 162 F CB 1.752 40.792 39.000 0.065 0.000 1.294 162 F HN 0.308 nan 8.300 nan 0.000 0.442 163 P HA 0.199 nan 4.420 nan 0.000 0.279 163 P C -1.049 176.359 177.300 0.180 0.000 1.276 163 P CA -0.149 63.008 63.100 0.096 0.000 0.801 163 P CB 1.275 33.042 31.700 0.113 0.000 1.127 164 D N -0.703 119.788 120.400 0.150 0.000 2.400 164 D HA -0.058 4.582 4.640 0.000 0.000 0.238 164 D C 1.397 177.825 176.300 0.213 0.000 1.157 164 D CA -0.299 53.817 54.000 0.194 0.000 0.889 164 D CB 0.282 41.244 40.800 0.271 0.000 1.199 164 D HN 0.101 nan 8.370 nan 0.000 0.436 165 L N 3.447 124.774 121.223 0.173 0.000 2.051 165 L HA -0.073 4.267 4.340 0.000 0.000 0.214 165 L C 2.011 179.017 176.870 0.227 0.000 1.076 165 L CA 2.644 57.574 54.840 0.150 0.000 0.758 165 L CB -1.096 40.987 42.059 0.039 0.000 0.890 165 L HN 0.674 nan 8.230 nan 0.000 0.433 166 G N -1.457 107.543 108.800 0.333 0.000 2.418 166 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 166 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 166 G C 1.534 176.545 174.900 0.185 0.000 1.158 166 G CA 1.004 46.317 45.100 0.355 0.000 0.771 166 G HN 0.355 nan 8.290 nan 0.000 0.545 167 V N 0.853 120.869 119.914 0.170 0.000 2.343 167 V HA -0.195 3.925 4.120 0.000 0.000 0.247 167 V C 2.925 179.099 176.094 0.134 0.000 1.051 167 V CA 1.996 64.369 62.300 0.122 0.000 1.036 167 V CB -0.499 31.387 31.823 0.105 0.000 0.654 167 V HN 0.326 nan 8.190 nan 0.000 0.451 168 R N -0.324 120.265 120.500 0.148 0.000 2.105 168 R HA -0.124 4.216 4.340 0.000 0.000 0.239 168 R C 2.235 178.597 176.300 0.103 0.000 1.135 168 R CA 1.477 57.658 56.100 0.134 0.000 0.967 168 R CB -0.611 29.764 30.300 0.126 0.000 0.861 168 R HN 0.433 nan 8.270 nan 0.000 0.442 169 V N 0.321 120.292 119.914 0.094 0.000 2.358 169 V HA -0.287 3.833 4.120 0.000 0.000 0.246 169 V C 2.480 178.600 176.094 0.043 0.000 1.047 169 V CA 1.510 63.836 62.300 0.043 0.000 1.035 169 V CB -0.423 31.420 31.823 0.034 0.000 0.658 169 V HN 0.450 nan 8.190 nan 0.000 0.452 170 C N -0.103 119.263 119.300 0.110 0.000 2.446 170 C HA -0.127 4.333 4.460 0.000 0.000 0.277 170 C C 2.679 177.829 174.990 0.267 0.000 1.275 170 C CA 0.873 60.029 59.018 0.229 0.000 1.727 170 C CB -0.947 26.978 27.740 0.308 0.000 2.010 170 C HN 0.625 nan 8.230 nan 0.000 0.486 171 E N 0.916 121.234 120.200 0.196 0.000 2.058 171 E HA -0.248 4.102 4.350 0.000 0.000 0.194 171 E C 2.114 178.826 176.600 0.186 0.000 0.997 171 E CA 1.292 57.818 56.400 0.209 0.000 0.801 171 E CB -0.194 29.641 29.700 0.224 0.000 0.746 171 E HN 0.638 nan 8.360 nan 0.000 0.450 172 K N 0.398 120.877 120.400 0.132 0.000 2.044 172 K HA -0.170 4.150 4.320 0.000 0.000 0.210 172 K C 2.198 178.848 176.600 0.085 0.000 1.049 172 K CA 1.644 57.993 56.287 0.103 0.000 0.927 172 K CB -0.184 32.302 32.500 -0.023 0.000 0.713 172 K HN 0.112 nan 8.250 nan 0.000 0.443 173 M N 0.264 119.872 119.600 0.013 0.000 2.080 173 M HA -0.193 4.287 4.480 0.000 0.000 0.260 173 M C 2.430 178.769 176.300 0.065 0.000 1.068 173 M CA 1.839 57.081 55.300 -0.097 0.000 1.109 173 M CB -0.316 32.015 32.600 -0.448 0.000 1.342 173 M HN 0.266 nan 8.290 nan 0.000 0.405 174 A N -0.615 122.363 122.820 0.264 0.000 1.929 174 A HA -0.007 4.313 4.320 0.000 0.000 0.216 174 A C 1.885 179.557 177.584 0.147 0.000 1.176 174 A CA 1.340 53.560 52.037 0.305 0.000 0.628 174 A CB -0.260 18.935 19.000 0.325 0.000 0.816 174 A HN 0.507 nan 8.150 nan 0.000 0.444 175 L N -3.432 117.864 121.223 0.122 0.000 3.128 175 L HA 0.181 4.521 4.340 0.000 0.000 0.277 175 L C 1.858 178.750 176.870 0.036 0.000 1.171 175 L CA 0.043 54.895 54.840 0.020 0.000 1.008 175 L CB 0.084 42.122 42.059 -0.035 0.000 1.442 175 L HN 0.456 nan 8.230 nan 0.000 0.584 176 Y N 1.549 121.859 120.300 0.017 0.000 2.081 176 Y HA -0.355 4.195 4.550 0.000 0.000 0.280 176 Y C 2.185 178.117 175.900 0.054 0.000 1.163 176 Y CA 2.394 60.524 58.100 0.049 0.000 1.135 176 Y CB 0.025 38.504 38.460 0.032 0.000 0.970 176 Y HN 0.227 nan 8.280 nan 0.000 0.498 177 D N -0.673 119.737 120.400 0.016 0.000 2.117 177 D HA -0.176 4.464 4.640 0.000 0.000 0.197 177 D C 2.210 178.437 176.300 -0.122 0.000 0.987 177 D CA 1.548 55.508 54.000 -0.067 0.000 0.829 177 D CB -0.245 40.575 40.800 0.034 0.000 0.961 177 D HN 0.272 nan 8.370 nan 0.000 0.460 178 V N 0.439 120.289 119.914 -0.106 0.000 2.237 178 V HA -0.237 3.883 4.120 0.000 0.000 0.245 178 V C 2.709 178.692 176.094 -0.186 0.000 1.046 178 V CA 1.881 64.098 62.300 -0.139 0.000 1.007 178 V CB -0.788 30.921 31.823 -0.189 0.000 0.638 178 V HN 0.342 nan 8.190 nan 0.000 0.445 179 V N -2.254 117.527 119.914 -0.220 0.000 2.913 179 V HA -0.125 3.996 4.120 0.000 0.000 0.260 179 V C 2.077 178.011 176.094 -0.265 0.000 1.098 179 V CA 2.171 64.335 62.300 -0.227 0.000 1.121 179 V CB -0.522 31.188 31.823 -0.189 0.000 0.714 179 V HN 0.463 nan 8.190 nan 0.000 0.487 180 S N 0.257 115.795 115.700 -0.270 0.000 2.446 180 S HA -0.011 4.459 4.470 0.000 0.000 0.225 180 S C 1.848 176.349 174.600 -0.165 0.000 1.016 180 S CA 1.554 59.616 58.200 -0.230 0.000 0.943 180 S CB -0.014 62.988 63.200 -0.330 0.000 0.786 180 S HN 0.798 nan 8.310 nan 0.000 0.508 181 T N 1.213 115.664 114.554 -0.171 0.000 3.058 181 T HA 0.285 4.635 4.350 0.000 0.000 0.247 181 T C 1.645 176.240 174.700 -0.174 0.000 0.987 181 T CA -0.164 61.855 62.100 -0.136 0.000 1.062 181 T CB -0.193 68.619 68.868 -0.093 0.000 1.048 181 T HN 0.164 nan 8.240 nan 0.000 0.468 182 L N 2.096 123.212 121.223 -0.177 0.000 2.042 182 L HA -0.015 4.325 4.340 0.000 0.000 0.210 182 L C -1.021 175.684 176.870 -0.275 0.000 1.076 182 L CA 1.669 56.410 54.840 -0.165 0.000 0.749 182 L CB -0.735 41.274 42.059 -0.083 0.000 0.893 182 L HN 0.141 nan 8.230 nan 0.000 0.432 183 P HA -0.199 nan 4.420 nan 0.000 0.217 183 P C 1.310 178.177 177.300 -0.722 0.000 1.150 183 P CA 1.105 63.775 63.100 -0.717 0.000 0.832 183 P CB -0.159 30.767 31.700 -1.290 0.000 0.787 184 Q N 0.212 119.647 119.800 -0.608 0.000 2.119 184 Q HA -0.098 4.242 4.340 0.000 0.000 0.201 184 Q C 1.939 177.819 176.000 -0.201 0.000 0.972 184 Q CA 1.461 57.094 55.803 -0.284 0.000 0.847 184 Q CB -0.758 27.915 28.738 -0.109 0.000 0.903 184 Q HN 0.068 nan 8.270 nan 0.000 0.433 185 V N 0.239 120.038 119.914 -0.191 0.000 2.343 185 V HA -0.224 3.896 4.120 0.000 0.000 0.247 185 V C 2.533 178.538 176.094 -0.148 0.000 1.051 185 V CA 1.582 63.802 62.300 -0.134 0.000 1.036 185 V CB -0.536 31.222 31.823 -0.107 0.000 0.654 185 V HN 0.143 nan 8.190 nan 0.000 0.451 186 V N -0.918 118.871 119.914 -0.208 0.000 2.488 186 V HA -0.140 3.980 4.120 0.000 0.000 0.246 186 V C 2.000 177.907 176.094 -0.312 0.000 1.046 186 V CA 2.023 64.189 62.300 -0.223 0.000 1.053 186 V CB -0.369 31.309 31.823 -0.241 0.000 0.679 186 V HN 0.475 nan 8.190 nan 0.000 0.458 187 M N -1.317 118.044 119.600 -0.398 0.000 2.337 187 M HA 0.386 4.866 4.480 0.000 0.000 0.256 187 M C 1.408 177.592 176.300 -0.193 0.000 1.075 187 M CA 0.712 55.705 55.300 -0.512 0.000 1.024 187 M CB 0.647 32.821 32.600 -0.710 0.000 1.429 187 M HN 0.433 nan 8.290 nan 0.000 0.497 188 G N 1.671 110.391 108.800 -0.135 0.000 2.596 188 G HA2 -0.391 3.569 3.960 0.000 0.000 0.295 188 G HA3 -0.391 3.569 3.960 0.000 0.000 0.295 188 G C 0.814 175.681 174.900 -0.056 0.000 1.240 188 G CA 0.809 45.873 45.100 -0.059 0.000 0.985 188 G HN 0.535 nan 8.290 nan 0.000 0.555 189 S N -0.716 114.978 115.700 -0.009 0.000 2.493 189 S HA 0.007 4.477 4.470 0.000 0.000 0.243 189 S C 2.206 176.691 174.600 -0.192 0.000 0.991 189 S CA 2.068 60.233 58.200 -0.059 0.000 0.957 189 S CB -0.163 63.108 63.200 0.118 0.000 0.756 189 S HN 1.007 nan 8.310 nan 0.000 0.521 190 S N 0.168 115.852 115.700 -0.027 0.000 2.481 190 S HA 0.111 4.582 4.470 0.000 0.000 0.231 190 S C 0.257 174.839 174.600 -0.030 0.000 0.996 190 S CA -0.023 58.199 58.200 0.037 0.000 0.942 190 S CB -0.385 62.957 63.200 0.236 0.000 0.768 190 S HN 0.710 nan 8.310 nan 0.000 0.520 191 Y N 2.694 122.840 120.300 -0.257 0.000 2.531 191 Y HA 0.450 5.000 4.550 0.000 0.000 0.347 191 Y C 1.233 176.887 175.900 -0.410 0.000 1.024 191 Y CA -1.366 56.556 58.100 -0.298 0.000 1.306 191 Y CB 0.132 38.422 38.460 -0.283 0.000 1.149 191 Y HN 0.044 nan 8.280 nan 0.000 0.527 192 G N 4.457 112.795 108.800 -0.770 0.000 2.448 192 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 192 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 192 G C 1.004 175.347 174.900 -0.929 0.000 1.135 192 G CA 0.216 44.872 45.100 -0.740 0.000 0.784 192 G HN 0.635 nan 8.290 nan 0.000 0.543 193 F N 1.149 120.356 119.950 -1.237 0.000 2.748 193 F HA 0.072 4.599 4.527 -0.000 0.000 0.299 193 F C 2.780 178.326 175.800 -0.424 0.000 1.154 193 F CA 0.703 58.107 58.000 -0.993 0.000 1.446 193 F CB -0.001 38.407 39.000 -0.987 0.000 1.112 193 F HN 0.360 nan 8.300 nan 0.000 0.584 194 Q N -0.692 118.844 119.800 -0.440 0.000 2.435 194 Q HA -0.101 4.239 4.340 0.000 0.000 0.207 194 Q C -0.570 175.322 176.000 -0.180 0.000 0.956 194 Q CA 0.829 56.487 55.803 -0.242 0.000 0.917 194 Q CB -0.296 28.205 28.738 -0.396 0.000 0.997 194 Q HN 0.270 nan 8.270 nan 0.000 0.497 195 Y N 1.912 122.226 120.300 0.024 0.000 2.330 195 Y HA 0.292 4.842 4.550 0.000 0.000 0.336 195 Y C 0.606 176.351 175.900 -0.259 0.000 1.036 195 Y CA -1.408 56.640 58.100 -0.087 0.000 1.125 195 Y CB 1.448 39.813 38.460 -0.159 0.000 1.194 195 Y HN 0.123 nan 8.280 nan 0.000 0.469 196 S N 3.094 118.496 115.700 -0.497 0.000 2.617 196 S HA 0.197 4.667 4.470 0.000 0.000 0.259 196 S C -1.952 172.271 174.600 -0.628 0.000 1.301 196 S CA -0.967 56.420 58.200 -1.355 0.000 0.984 196 S CB 1.051 63.643 63.200 -1.013 0.000 0.954 196 S HN 0.429 nan 8.310 nan 0.000 0.572 197 P HA 0.036 nan 4.420 nan 0.000 0.216 197 P C 1.725 178.889 177.300 -0.226 0.000 1.150 197 P CA 1.612 64.522 63.100 -0.317 0.000 0.837 197 P CB -0.558 30.961 31.700 -0.303 0.000 0.786 198 G N -0.114 108.508 108.800 -0.295 0.000 2.418 198 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 198 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 198 G C 1.552 176.374 174.900 -0.130 0.000 1.158 198 G CA 0.646 45.652 45.100 -0.156 0.000 0.771 198 G HN 0.301 nan 8.290 nan 0.000 0.545 199 Q N -0.572 119.132 119.800 -0.159 0.000 2.119 199 Q HA -0.001 4.339 4.340 0.000 0.000 0.201 199 Q C 2.600 178.415 176.000 -0.309 0.000 0.972 199 Q CA 0.987 56.705 55.803 -0.141 0.000 0.847 199 Q CB -0.117 28.627 28.738 0.011 0.000 0.903 199 Q HN 0.456 nan 8.270 nan 0.000 0.433 200 R N 0.379 120.722 120.500 -0.260 0.000 2.073 200 R HA -0.115 4.225 4.340 0.000 0.000 0.229 200 R C 2.072 178.271 176.300 -0.169 0.000 1.120 200 R CA 1.343 57.273 56.100 -0.283 0.000 0.967 200 R CB 0.006 30.245 30.300 -0.101 0.000 0.862 200 R HN 0.148 nan 8.270 nan 0.000 0.436 201 V N 0.913 120.760 119.914 -0.112 0.000 2.427 201 V HA -0.195 3.925 4.120 0.000 0.000 0.248 201 V C 2.334 178.359 176.094 -0.116 0.000 1.051 201 V CA 2.125 64.374 62.300 -0.085 0.000 1.048 201 V CB -0.802 31.013 31.823 -0.012 0.000 0.666 201 V HN 0.454 nan 8.190 nan 0.000 0.456 202 E N 0.246 120.382 120.200 -0.106 0.000 2.051 202 E HA -0.269 4.081 4.350 0.000 0.000 0.192 202 E C 2.093 178.619 176.600 -0.124 0.000 0.991 202 E CA 1.697 58.036 56.400 -0.101 0.000 0.799 202 E CB -0.239 29.419 29.700 -0.070 0.000 0.748 202 E HN 0.561 nan 8.360 nan 0.000 0.449 203 F N 1.202 120.964 119.950 -0.313 0.000 2.134 203 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 203 F C 1.952 177.622 175.800 -0.216 0.000 1.097 203 F CA 1.341 59.149 58.000 -0.320 0.000 1.264 203 F CB -0.188 38.450 39.000 -0.602 0.000 1.001 203 F HN 0.008 nan 8.300 nan 0.000 0.479 204 L N -0.735 120.371 121.223 -0.195 0.000 1.994 204 L HA -0.232 4.108 4.340 0.000 0.000 0.208 204 L C 2.423 179.145 176.870 -0.246 0.000 1.071 204 L CA 1.216 55.918 54.840 -0.229 0.000 0.745 204 L CB -0.915 41.058 42.059 -0.144 0.000 0.892 204 L HN -0.007 nan 8.230 nan 0.000 0.431 205 V N 0.120 119.871 119.914 -0.272 0.000 2.287 205 V HA -0.299 3.821 4.120 0.000 0.000 0.248 205 V C 2.269 178.241 176.094 -0.203 0.000 1.053 205 V CA 1.976 64.086 62.300 -0.316 0.000 1.027 205 V CB -0.697 30.804 31.823 -0.536 0.000 0.646 205 V HN 0.480 nan 8.190 nan 0.000 0.447 206 N N 0.046 118.612 118.700 -0.223 0.000 2.104 206 N HA -0.151 4.589 4.740 0.000 0.000 0.190 206 N C 1.913 177.291 175.510 -0.219 0.000 1.024 206 N CA 2.044 54.979 53.050 -0.191 0.000 0.853 206 N CB -0.736 37.646 38.487 -0.175 0.000 1.008 206 N HN 0.462 nan 8.380 nan 0.000 0.424 207 T N 0.360 114.700 114.554 -0.357 0.000 2.746 207 T HA -0.139 4.211 4.350 0.000 0.000 0.267 207 T C 1.502 176.110 174.700 -0.152 0.000 1.039 207 T CA 0.630 62.516 62.100 -0.356 0.000 1.142 207 T CB -0.222 68.285 68.868 -0.601 0.000 0.866 207 T HN 0.426 nan 8.240 nan 0.000 0.444 208 W N 2.163 123.294 121.300 -0.281 0.000 2.358 208 W HA -0.092 4.568 4.660 0.000 0.000 0.303 208 W C 1.742 178.165 176.519 -0.159 0.000 1.208 208 W CA 1.142 58.365 57.345 -0.203 0.000 1.274 208 W CB -0.109 29.226 29.460 -0.207 0.000 1.138 208 W HN 0.244 nan 8.180 nan 0.000 0.515 209 K N 0.210 120.600 120.400 -0.018 0.000 2.432 209 K HA -0.095 4.225 4.320 0.000 0.000 0.196 209 K C 1.982 178.510 176.600 -0.119 0.000 1.038 209 K CA 1.306 57.549 56.287 -0.072 0.000 0.986 209 K CB -0.177 32.302 32.500 -0.035 0.000 0.782 209 K HN 0.029 nan 8.250 nan 0.000 0.485 210 S N 0.480 116.096 115.700 -0.140 0.000 2.562 210 S HA 0.034 4.504 4.470 0.000 0.000 0.221 210 S C 0.403 174.916 174.600 -0.147 0.000 0.975 210 S CA 0.091 58.214 58.200 -0.128 0.000 0.918 210 S CB 0.069 63.193 63.200 -0.127 0.000 0.772 210 S HN -0.039 nan 8.310 nan 0.000 0.531 211 K N 1.625 121.899 120.400 -0.211 0.000 2.138 211 K HA 0.415 4.735 4.320 0.000 0.000 0.263 211 K C 0.345 176.821 176.600 -0.207 0.000 0.965 211 K CA -0.553 55.598 56.287 -0.226 0.000 0.868 211 K CB 1.476 33.780 32.500 -0.327 0.000 1.083 211 K HN 0.056 nan 8.250 nan 0.000 0.443 212 K N 1.321 121.632 120.400 -0.149 0.000 1.991 212 K HA -0.149 4.171 4.320 0.000 0.000 0.212 212 K C -0.055 176.466 176.600 -0.133 0.000 1.049 212 K CA 1.636 57.854 56.287 -0.115 0.000 0.932 212 K CB -0.024 32.428 32.500 -0.080 0.000 0.717 212 K HN 0.541 nan 8.250 nan 0.000 0.441 213 N N 1.223 119.837 118.700 -0.143 0.000 2.746 213 N HA 0.176 4.916 4.740 0.000 0.000 0.250 213 N C -2.835 172.547 175.510 -0.213 0.000 1.146 213 N CA -1.315 51.654 53.050 -0.134 0.000 0.828 213 N CB 1.517 39.968 38.487 -0.060 0.000 1.158 213 N HN 0.017 nan 8.380 nan 0.000 0.519 214 P HA 0.054 nan 4.420 nan 0.000 0.271 214 P C -0.770 176.153 177.300 -0.628 0.000 1.220 214 P CA -0.135 62.477 63.100 -0.813 0.000 0.768 214 P CB 1.001 31.608 31.700 -1.822 0.000 0.848 215 M N 2.960 122.308 119.600 -0.421 0.000 2.464 215 M HA 0.671 5.151 4.480 0.000 0.000 0.308 215 M C -0.965 175.301 176.300 -0.057 0.000 1.127 215 M CA -0.338 54.809 55.300 -0.257 0.000 0.913 215 M CB 2.437 34.915 32.600 -0.203 0.000 1.689 215 M HN 0.542 nan 8.290 nan 0.000 0.445 216 G N 3.677 112.566 108.800 0.148 0.000 2.642 216 G HA2 0.847 4.807 3.960 0.000 0.000 0.293 216 G HA3 0.847 4.807 3.960 0.000 0.000 0.293 216 G C -1.978 173.045 174.900 0.205 0.000 1.341 216 G CA -0.627 44.597 45.100 0.207 0.000 0.916 216 G HN 0.811 nan 8.290 nan 0.000 0.474 217 F N -0.557 119.365 119.950 -0.047 0.000 2.678 217 F HA 0.772 5.299 4.527 -0.000 0.000 0.308 217 F C -0.263 175.526 175.800 -0.018 0.000 1.118 217 F CA -1.428 56.542 58.000 -0.051 0.000 0.959 217 F CB 1.253 40.209 39.000 -0.074 0.000 1.305 217 F HN 0.673 nan 8.300 nan 0.000 0.443 218 S N 1.341 117.108 115.700 0.111 0.000 2.617 218 S HA 0.643 5.113 4.470 0.000 0.000 0.283 218 S C -1.509 173.265 174.600 0.291 0.000 1.189 218 S CA -0.533 57.712 58.200 0.075 0.000 1.036 218 S CB 1.547 64.778 63.200 0.051 0.000 1.014 218 S HN 0.897 nan 8.310 nan 0.000 0.522 219 Y N 1.441 121.829 120.300 0.146 0.000 2.338 219 Y HA 0.418 4.968 4.550 0.000 0.000 0.328 219 Y C -0.959 175.056 175.900 0.192 0.000 0.965 219 Y CA -0.813 57.447 58.100 0.266 0.000 1.208 219 Y CB 1.303 40.016 38.460 0.422 0.000 1.132 219 Y HN 0.872 nan 8.280 nan 0.000 0.469 220 D N 4.545 124.822 120.400 -0.204 0.000 2.396 220 D HA 0.203 4.843 4.640 0.000 0.000 0.225 220 D C -0.651 175.532 176.300 -0.195 0.000 1.121 220 D CA -0.052 53.883 54.000 -0.108 0.000 0.853 220 D CB 0.938 41.700 40.800 -0.062 0.000 1.043 220 D HN 0.461 nan 8.370 nan 0.000 0.500 221 T N 3.798 118.405 114.554 0.088 0.000 2.884 221 T HA 0.115 4.465 4.350 0.000 0.000 0.298 221 T C 0.480 175.285 174.700 0.174 0.000 0.998 221 T CA -0.426 61.809 62.100 0.225 0.000 1.124 221 T CB 0.682 69.907 68.868 0.594 0.000 0.931 221 T HN 0.306 nan 8.240 nan 0.000 0.531 222 R N 2.199 122.763 120.500 0.107 0.000 2.296 222 R HA 0.164 4.504 4.340 0.000 0.000 0.323 222 R C 0.126 176.540 176.300 0.190 0.000 1.067 222 R CA -0.272 55.882 56.100 0.091 0.000 0.946 222 R CB -0.479 29.816 30.300 -0.007 0.000 0.991 222 R HN 0.919 nan 8.270 nan 0.000 0.448 223 C N 6.360 125.797 119.300 0.230 0.000 3.514 223 C HA -0.184 4.276 4.460 0.000 0.000 0.286 223 C C 1.293 176.491 174.990 0.346 0.000 1.302 223 C CA 0.206 59.406 59.018 0.303 0.000 2.239 223 C CB -2.429 25.540 27.740 0.381 0.000 1.429 223 C HN 1.084 nan 8.230 nan 0.000 0.565 224 F N 1.572 121.642 119.950 0.200 0.000 2.087 224 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 224 F C 1.822 177.731 175.800 0.181 0.000 1.100 224 F CA 2.551 60.667 58.000 0.194 0.000 1.226 224 F CB -0.035 39.068 39.000 0.171 0.000 0.983 224 F HN 0.549 nan 8.300 nan 0.000 0.479 225 D N -0.572 120.043 120.400 0.358 0.000 2.144 225 D HA -0.151 4.489 4.640 0.000 0.000 0.199 225 D C 2.448 178.800 176.300 0.087 0.000 0.984 225 D CA 1.518 55.660 54.000 0.237 0.000 0.834 225 D CB -0.449 40.501 40.800 0.249 0.000 0.955 225 D HN 0.231 nan 8.370 nan 0.000 0.465 226 S N -0.543 115.225 115.700 0.113 0.000 2.453 226 S HA -0.099 4.371 4.470 0.000 0.000 0.231 226 S C 2.018 176.547 174.600 -0.118 0.000 1.005 226 S CA 1.361 59.531 58.200 -0.051 0.000 0.949 226 S CB -0.160 63.003 63.200 -0.062 0.000 0.774 226 S HN 0.524 nan 8.310 nan 0.000 0.510 227 T N -0.634 113.930 114.554 0.016 0.000 3.067 227 T HA 0.131 4.481 4.350 0.000 0.000 0.261 227 T C 0.624 175.243 174.700 -0.135 0.000 1.110 227 T CA 0.045 62.154 62.100 0.015 0.000 1.113 227 T CB -0.372 68.477 68.868 -0.033 0.000 0.917 227 T HN 0.028 nan 8.240 nan 0.000 0.499 228 V N 4.114 123.908 119.914 -0.201 0.000 2.446 228 V HA 0.303 4.423 4.120 0.000 0.000 0.276 228 V C 1.169 177.201 176.094 -0.103 0.000 1.030 228 V CA -0.165 62.040 62.300 -0.158 0.000 1.033 228 V CB -0.016 31.749 31.823 -0.097 0.000 0.993 228 V HN 0.728 nan 8.190 nan 0.000 0.477 229 T N 0.905 115.414 114.554 -0.075 0.000 2.897 229 T HA 0.307 4.657 4.350 0.000 0.000 0.278 229 T C 1.054 175.728 174.700 -0.043 0.000 0.981 229 T CA -0.313 61.749 62.100 -0.063 0.000 0.973 229 T CB 1.440 70.279 68.868 -0.049 0.000 1.092 229 T HN 0.666 nan 8.240 nan 0.000 0.543 230 E N 0.344 120.522 120.200 -0.038 0.000 2.077 230 E HA -0.263 4.087 4.350 0.000 0.000 0.193 230 E C 1.970 178.565 176.600 -0.007 0.000 0.989 230 E CA 1.585 57.974 56.400 -0.017 0.000 0.800 230 E CB -0.250 29.441 29.700 -0.015 0.000 0.746 230 E HN 0.778 nan 8.360 nan 0.000 0.452 231 N N 0.618 119.309 118.700 -0.015 0.000 2.061 231 N HA -0.214 4.526 4.740 0.000 0.000 0.193 231 N C 1.469 176.986 175.510 0.013 0.000 1.030 231 N CA 2.179 55.225 53.050 -0.007 0.000 0.856 231 N CB -0.097 38.372 38.487 -0.030 0.000 1.023 231 N HN 0.126 nan 8.380 nan 0.000 0.424 232 D N -0.011 120.395 120.400 0.010 0.000 2.117 232 D HA -0.109 4.531 4.640 0.000 0.000 0.197 232 D C 1.941 178.247 176.300 0.010 0.000 0.987 232 D CA 0.995 55.013 54.000 0.030 0.000 0.829 232 D CB -0.234 40.577 40.800 0.017 0.000 0.961 232 D HN 0.478 nan 8.370 nan 0.000 0.460 233 I N 0.427 121.002 120.570 0.009 0.000 2.439 233 I HA -0.140 4.030 4.170 0.000 0.000 0.251 233 I C 2.424 178.548 176.117 0.012 0.000 1.139 233 I CA 0.693 62.005 61.300 0.020 0.000 1.438 233 I CB -0.003 38.031 38.000 0.056 0.000 1.085 233 I HN -0.125 nan 8.210 nan 0.000 0.427 234 R N -0.008 120.498 120.500 0.010 0.000 2.090 234 R HA -0.060 4.280 4.340 0.000 0.000 0.228 234 R C 2.335 178.617 176.300 -0.029 0.000 1.110 234 R CA 0.935 57.038 56.100 0.004 0.000 0.973 234 R CB -0.309 29.997 30.300 0.010 0.000 0.869 234 R HN 0.182 nan 8.270 nan 0.000 0.440 235 V N 1.318 121.215 119.914 -0.027 0.000 2.358 235 V HA -0.248 3.872 4.120 0.000 0.000 0.246 235 V C 2.325 178.332 176.094 -0.145 0.000 1.047 235 V CA 1.829 64.102 62.300 -0.046 0.000 1.035 235 V CB -0.437 31.400 31.823 0.023 0.000 0.658 235 V HN 0.387 nan 8.190 nan 0.000 0.452 236 E N 0.035 120.119 120.200 -0.192 0.000 2.049 236 E HA -0.323 4.027 4.350 0.000 0.000 0.198 236 E C 2.319 178.464 176.600 -0.760 0.000 1.007 236 E CA 1.950 58.094 56.400 -0.427 0.000 0.809 236 E CB -0.200 29.320 29.700 -0.299 0.000 0.749 236 E HN 0.663 nan 8.360 nan 0.000 0.450 237 E N 0.046 120.011 120.200 -0.393 0.000 2.118 237 E HA -0.189 4.161 4.350 0.000 0.000 0.195 237 E C 2.118 178.654 176.600 -0.108 0.000 0.992 237 E CA 1.538 57.840 56.400 -0.164 0.000 0.804 237 E CB -0.081 29.659 29.700 0.065 0.000 0.741 237 E HN 0.330 nan 8.360 nan 0.000 0.458 238 S N 0.155 115.789 115.700 -0.110 0.000 2.419 238 S HA -0.122 4.348 4.470 0.000 0.000 0.233 238 S C 2.025 176.578 174.600 -0.077 0.000 1.016 238 S CA 0.822 58.986 58.200 -0.061 0.000 0.974 238 S CB -0.438 62.734 63.200 -0.047 0.000 0.786 238 S HN 0.275 nan 8.310 nan 0.000 0.492 239 I N -0.048 120.421 120.570 -0.168 0.000 2.233 239 I HA -0.091 4.080 4.170 0.000 0.000 0.243 239 I C 2.289 178.389 176.117 -0.028 0.000 1.093 239 I CA 1.093 62.309 61.300 -0.140 0.000 1.380 239 I CB -0.482 37.390 38.000 -0.213 0.000 1.067 239 I HN 0.191 nan 8.210 nan 0.000 0.413 240 Y N 1.294 121.584 120.300 -0.017 0.000 2.114 240 Y HA -0.256 4.294 4.550 0.000 0.000 0.282 240 Y C 2.685 178.585 175.900 -0.001 0.000 1.165 240 Y CA 0.814 58.908 58.100 -0.009 0.000 1.148 240 Y CB -1.129 37.339 38.460 0.013 0.000 0.972 240 Y HN 0.248 nan 8.280 nan 0.000 0.504 241 Q N -1.204 118.690 119.800 0.157 0.000 2.364 241 Q HA -0.127 4.213 4.340 0.000 0.000 0.207 241 Q C 2.364 178.395 176.000 0.052 0.000 0.970 241 Q CA 0.981 56.838 55.803 0.090 0.000 0.888 241 Q CB -0.848 27.928 28.738 0.063 0.000 0.951 241 Q HN 0.526 nan 8.270 nan 0.000 0.469 242 C N 0.220 119.543 119.300 0.038 0.000 2.432 242 C HA -0.055 4.405 4.460 0.000 0.000 0.280 242 C C 1.633 176.636 174.990 0.023 0.000 1.353 242 C CA -0.674 58.355 59.018 0.019 0.000 1.766 242 C CB -0.715 27.026 27.740 0.001 0.000 1.924 242 C HN 0.417 nan 8.230 nan 0.000 0.509 243 C N 2.035 121.358 119.300 0.038 0.000 2.703 243 C HA 0.089 4.549 4.460 0.000 0.000 0.411 243 C C 0.610 175.615 174.990 0.026 0.000 1.290 243 C CA -0.198 58.837 59.018 0.029 0.000 2.054 243 C CB -0.340 27.422 27.740 0.036 0.000 2.732 243 C HN 0.514 nan 8.230 nan 0.000 0.650 244 D N 1.923 122.334 120.400 0.018 0.000 2.344 244 D HA 0.408 5.048 4.640 0.000 0.000 0.253 244 D C -0.597 175.717 176.300 0.024 0.000 1.255 244 D CA 0.390 54.401 54.000 0.018 0.000 0.894 244 D CB -0.068 40.739 40.800 0.012 0.000 1.067 244 D HN 0.382 nan 8.370 nan 0.000 0.492 245 L N 2.133 123.374 121.223 0.031 0.000 2.354 245 L HA 0.651 4.991 4.340 0.000 0.000 0.264 245 L C 0.375 177.271 176.870 0.042 0.000 1.008 245 L CA -1.466 53.398 54.840 0.040 0.000 0.819 245 L CB 1.831 43.920 42.059 0.050 0.000 1.339 245 L HN 0.317 nan 8.230 nan 0.000 0.420 246 A N 1.927 124.778 122.820 0.052 0.000 2.498 246 A HA 0.337 4.657 4.320 0.000 0.000 0.239 246 A C -1.802 175.820 177.584 0.062 0.000 1.068 246 A CA -0.806 51.265 52.037 0.056 0.000 0.766 246 A CB -0.146 18.895 19.000 0.069 0.000 1.003 246 A HN 0.637 nan 8.150 nan 0.000 0.497 247 P HA -0.168 nan 4.420 nan 0.000 0.218 247 P C 1.163 178.491 177.300 0.047 0.000 1.148 247 P CA 1.403 64.528 63.100 0.041 0.000 0.822 247 P CB 0.176 31.895 31.700 0.031 0.000 0.784 248 E N -0.428 119.821 120.200 0.082 0.000 2.085 248 E HA -0.198 4.152 4.350 0.000 0.000 0.194 248 E C 2.073 178.749 176.600 0.128 0.000 0.994 248 E CA 1.398 57.870 56.400 0.120 0.000 0.801 248 E CB -0.565 29.285 29.700 0.250 0.000 0.743 248 E HN 0.162 nan 8.360 nan 0.000 0.453 249 A N 1.785 124.706 122.820 0.168 0.000 1.883 249 A HA -0.240 4.080 4.320 0.000 0.000 0.217 249 A C 2.105 179.733 177.584 0.073 0.000 1.186 249 A CA 1.539 53.671 52.037 0.159 0.000 0.624 249 A CB -0.532 18.548 19.000 0.133 0.000 0.822 249 A HN 0.127 nan 8.150 nan 0.000 0.444 250 R N -1.097 119.434 120.500 0.052 0.000 2.096 250 R HA -0.230 4.110 4.340 0.000 0.000 0.240 250 R C 2.525 178.823 176.300 -0.003 0.000 1.139 250 R CA 1.909 58.029 56.100 0.033 0.000 0.952 250 R CB -0.377 29.940 30.300 0.029 0.000 0.854 250 R HN 0.713 nan 8.270 nan 0.000 0.436 251 Q N 0.581 120.358 119.800 -0.039 0.000 2.119 251 Q HA -0.053 4.287 4.340 0.000 0.000 0.201 251 Q C 1.917 177.823 176.000 -0.157 0.000 0.972 251 Q CA 1.731 57.480 55.803 -0.090 0.000 0.847 251 Q CB -0.104 28.569 28.738 -0.108 0.000 0.903 251 Q HN 0.348 nan 8.270 nan 0.000 0.433 252 A N 0.107 122.793 122.820 -0.223 0.000 1.969 252 A HA -0.089 4.231 4.320 0.000 0.000 0.218 252 A C 2.050 179.548 177.584 -0.144 0.000 1.169 252 A CA 1.277 53.112 52.037 -0.336 0.000 0.635 252 A CB -0.574 18.089 19.000 -0.563 0.000 0.810 252 A HN 0.488 nan 8.150 nan 0.000 0.445 253 I N -0.650 119.900 120.570 -0.033 0.000 2.286 253 I HA -0.216 3.954 4.170 0.000 0.000 0.245 253 I C 2.503 178.658 176.117 0.062 0.000 1.104 253 I CA 1.680 63.016 61.300 0.060 0.000 1.397 253 I CB -0.194 37.872 38.000 0.110 0.000 1.072 253 I HN 0.382 nan 8.210 nan 0.000 0.417 254 K N 0.956 121.369 120.400 0.021 0.000 2.026 254 K HA -0.175 4.145 4.320 0.000 0.000 0.208 254 K C 2.228 178.807 176.600 -0.035 0.000 1.048 254 K CA 1.960 58.253 56.287 0.010 0.000 0.929 254 K CB -0.014 32.482 32.500 -0.007 0.000 0.713 254 K HN 0.132 nan 8.250 nan 0.000 0.439 255 S N 1.236 116.883 115.700 -0.088 0.000 2.368 255 S HA -0.100 4.370 4.470 0.000 0.000 0.225 255 S C 1.883 176.386 174.600 -0.162 0.000 1.030 255 S CA 1.252 59.376 58.200 -0.125 0.000 0.999 255 S CB -0.240 62.856 63.200 -0.173 0.000 0.844 255 S HN 0.265 nan 8.310 nan 0.000 0.459 256 L N 0.963 122.063 121.223 -0.206 0.000 2.093 256 L HA -0.119 4.221 4.340 0.000 0.000 0.208 256 L C 2.662 179.234 176.870 -0.497 0.000 1.085 256 L CA 1.109 55.703 54.840 -0.411 0.000 0.755 256 L CB -0.961 40.830 42.059 -0.448 0.000 0.904 256 L HN 0.322 nan 8.230 nan 0.000 0.435 257 T N -0.980 113.496 114.554 -0.131 0.000 2.674 257 T HA -0.153 4.197 4.350 0.000 0.000 0.265 257 T C 1.778 176.482 174.700 0.007 0.000 1.039 257 T CA 1.162 63.310 62.100 0.081 0.000 1.150 257 T CB -0.092 68.888 68.868 0.186 0.000 0.864 257 T HN 0.284 nan 8.240 nan 0.000 0.427 258 E N 1.097 121.282 120.200 -0.026 0.000 2.106 258 E HA -0.043 4.307 4.350 0.000 0.000 0.192 258 E C 2.358 178.935 176.600 -0.039 0.000 0.984 258 E CA 1.017 57.404 56.400 -0.021 0.000 0.806 258 E CB -0.127 29.557 29.700 -0.026 0.000 0.750 258 E HN 0.465 nan 8.360 nan 0.000 0.458 259 R N -0.621 119.827 120.500 -0.087 0.000 2.206 259 R HA 0.113 4.453 4.340 0.000 0.000 0.198 259 R C 1.915 178.149 176.300 -0.109 0.000 0.986 259 R CA 0.265 56.313 56.100 -0.085 0.000 1.029 259 R CB 0.242 30.483 30.300 -0.098 0.000 0.966 259 R HN 0.039 nan 8.270 nan 0.000 0.487 260 L N -1.962 119.150 121.223 -0.185 0.000 2.638 260 L HA 0.194 4.534 4.340 0.000 0.000 0.195 260 L C 1.316 178.157 176.870 -0.047 0.000 1.065 260 L CA 0.855 55.585 54.840 -0.183 0.000 0.859 260 L CB -0.200 41.663 42.059 -0.328 0.000 1.269 260 L HN -0.114 nan 8.230 nan 0.000 0.484 261 Y N 0.276 120.585 120.300 0.016 0.000 2.200 261 Y HA -0.017 4.533 4.550 -0.000 0.000 0.290 261 Y C 2.529 178.428 175.900 -0.002 0.000 1.137 261 Y CA 1.277 59.393 58.100 0.027 0.000 1.163 261 Y CB -0.820 37.681 38.460 0.069 0.000 0.988 261 Y HN 0.111 nan 8.280 nan 0.000 0.518 262 I N -0.923 119.727 120.570 0.133 0.000 2.493 262 I HA -0.038 4.132 4.170 0.000 0.000 0.254 262 I C 1.161 177.274 176.117 -0.006 0.000 1.160 262 I CA 1.247 62.581 61.300 0.056 0.000 1.445 262 I CB -0.366 37.662 38.000 0.046 0.000 1.086 262 I HN 0.308 nan 8.210 nan 0.000 0.433 263 G N -0.887 107.887 108.800 -0.044 0.000 2.337 263 G HA2 0.461 4.421 3.960 0.000 0.000 0.298 263 G HA3 0.461 4.421 3.960 0.000 0.000 0.298 263 G C -0.974 173.754 174.900 -0.286 0.000 1.335 263 G CA -0.230 44.764 45.100 -0.178 0.000 0.875 263 G HN 0.398 nan 8.290 nan 0.000 0.579 264 G N -0.928 107.426 108.800 -0.744 0.000 2.321 264 G HA2 0.715 4.675 3.960 0.000 0.000 0.298 264 G HA3 0.715 4.675 3.960 0.000 0.000 0.298 264 G C -3.465 170.840 174.900 -0.992 0.000 1.385 264 G CA 0.069 44.739 45.100 -0.718 0.000 0.856 264 G HN 0.783 nan 8.290 nan 0.000 0.584 265 P HA 0.400 nan 4.420 nan 0.000 0.271 265 P C -0.467 176.755 177.300 -0.129 0.000 1.216 265 P CA -0.091 62.919 63.100 -0.150 0.000 0.776 265 P CB 1.091 32.820 31.700 0.048 0.000 0.881 266 L N 2.710 123.903 121.223 -0.050 0.000 2.287 266 L HA 0.415 4.755 4.340 0.000 0.000 0.287 266 L C 0.528 177.416 176.870 0.029 0.000 1.022 266 L CA -0.158 54.682 54.840 -0.001 0.000 0.814 266 L CB 1.344 43.451 42.059 0.080 0.000 1.217 266 L HN 0.275 nan 8.230 nan 0.000 0.420 267 T N 1.560 116.106 114.554 -0.014 0.000 2.829 267 T HA 0.339 4.689 4.350 0.000 0.000 0.280 267 T C -0.185 174.497 174.700 -0.030 0.000 0.999 267 T CA -0.834 61.256 62.100 -0.017 0.000 0.983 267 T CB 1.492 70.334 68.868 -0.043 0.000 0.968 267 T HN 0.638 nan 8.240 nan 0.000 0.446 268 N N 0.598 119.295 118.700 -0.004 0.000 2.405 268 N HA 0.158 4.898 4.740 0.000 0.000 0.269 268 N C 1.453 176.951 175.510 -0.019 0.000 1.249 268 N CA -0.324 52.723 53.050 -0.005 0.000 0.974 268 N CB 0.212 38.706 38.487 0.013 0.000 1.204 268 N HN 0.438 nan 8.380 nan 0.000 0.565 269 S N -0.945 114.753 115.700 -0.004 0.000 2.442 269 S HA -0.129 4.341 4.470 0.000 0.000 0.236 269 S C 0.821 175.416 174.600 -0.009 0.000 1.007 269 S CA 0.740 58.940 58.200 -0.000 0.000 0.965 269 S CB -0.477 62.736 63.200 0.023 0.000 0.773 269 S HN 0.641 nan 8.310 nan 0.000 0.504 270 K N 0.797 121.193 120.400 -0.007 0.000 2.410 270 K HA 0.293 4.613 4.320 0.000 0.000 0.200 270 K C 1.086 177.677 176.600 -0.014 0.000 1.023 270 K CA 0.293 56.575 56.287 -0.009 0.000 1.149 270 K CB -0.092 32.407 32.500 -0.002 0.000 0.859 270 K HN 0.510 nan 8.250 nan 0.000 0.514 271 G N 2.049 110.836 108.800 -0.022 0.000 2.168 271 G HA2 -0.319 3.641 3.960 0.000 0.000 0.257 271 G HA3 -0.319 3.641 3.960 0.000 0.000 0.257 271 G C -0.219 174.674 174.900 -0.010 0.000 0.997 271 G CA 0.289 45.373 45.100 -0.027 0.000 0.708 271 G HN 0.406 nan 8.290 nan 0.000 0.520 272 Q N -0.142 119.659 119.800 0.001 0.000 2.230 272 Q HA 0.358 4.698 4.340 0.000 0.000 0.248 272 Q C 0.436 176.453 176.000 0.028 0.000 0.915 272 Q CA -0.654 55.158 55.803 0.015 0.000 0.900 272 Q CB 0.981 29.730 28.738 0.019 0.000 1.229 272 Q HN 0.371 nan 8.270 nan 0.000 0.439 273 N N 1.572 120.297 118.700 0.040 0.000 2.420 273 N HA 0.007 4.747 4.740 0.000 0.000 0.262 273 N C -0.281 175.286 175.510 0.094 0.000 1.144 273 N CA -0.299 52.787 53.050 0.061 0.000 0.952 273 N CB 0.563 39.087 38.487 0.061 0.000 1.081 273 N HN 0.627 nan 8.380 nan 0.000 0.480 274 C N 2.941 122.317 119.300 0.126 0.000 2.590 274 C HA 0.370 4.830 4.460 0.000 0.000 0.272 274 C C 1.322 176.500 174.990 0.312 0.000 1.338 274 C CA 0.591 59.738 59.018 0.215 0.000 1.746 274 C CB -1.049 26.837 27.740 0.244 0.000 2.020 274 C HN 0.968 nan 8.230 nan 0.000 0.531 275 G N -1.464 107.455 108.800 0.198 0.000 2.347 275 G HA2 0.236 4.196 3.960 0.000 0.000 0.224 275 G HA3 0.236 4.196 3.960 0.000 0.000 0.224 275 G C -1.999 172.957 174.900 0.093 0.000 1.318 275 G CA -0.377 44.802 45.100 0.132 0.000 1.016 275 G HN 0.050 nan 8.290 nan 0.000 0.469 276 Y N 0.829 121.022 120.300 -0.178 0.000 2.470 276 Y HA 0.741 5.291 4.550 -0.000 0.000 0.341 276 Y C -0.021 175.737 175.900 -0.236 0.000 1.021 276 Y CA -0.810 57.195 58.100 -0.159 0.000 1.025 276 Y CB 1.942 40.321 38.460 -0.134 0.000 1.266 276 Y HN 0.710 nan 8.280 nan 0.000 0.448 277 R N 4.863 125.066 120.500 -0.495 0.000 2.407 277 R HA 0.549 4.889 4.340 0.000 0.000 0.303 277 R C -0.748 175.308 176.300 -0.408 0.000 0.981 277 R CA -0.568 55.225 56.100 -0.511 0.000 0.905 277 R CB 0.920 30.989 30.300 -0.385 0.000 1.099 277 R HN 0.920 nan 8.270 nan 0.000 0.459 278 R N 3.186 123.444 120.500 -0.403 0.000 2.659 278 R HA 0.213 4.553 4.340 0.000 0.000 0.418 278 R C -0.489 175.654 176.300 -0.262 0.000 1.076 278 R CA -0.326 55.642 56.100 -0.220 0.000 1.093 278 R CB 0.423 30.649 30.300 -0.124 0.000 1.400 278 R HN 0.780 nan 8.270 nan 0.000 0.583 279 C N -1.894 117.198 119.300 -0.346 0.000 3.308 279 C HA 0.612 5.072 4.460 0.000 0.000 0.360 279 C C -0.186 174.720 174.990 -0.139 0.000 1.695 279 C CA -1.562 57.304 59.018 -0.253 0.000 1.366 279 C CB 1.202 28.736 27.740 -0.344 0.000 2.121 279 C HN 0.326 nan 8.230 nan 0.000 0.442 280 R N 1.214 121.685 120.500 -0.049 0.000 2.502 280 R HA 0.454 4.794 4.340 0.000 0.000 0.292 280 R C 0.158 176.503 176.300 0.074 0.000 0.998 280 R CA 0.989 57.113 56.100 0.041 0.000 1.056 280 R CB -0.219 30.142 30.300 0.103 0.000 0.939 280 R HN 1.158 nan 8.270 nan 0.000 0.411 281 A N 3.553 126.432 122.820 0.099 0.000 2.401 281 A HA 0.218 4.538 4.320 0.000 0.000 0.259 281 A C 1.078 178.758 177.584 0.160 0.000 1.103 281 A CA 0.134 52.256 52.037 0.142 0.000 0.789 281 A CB 0.471 19.564 19.000 0.155 0.000 1.035 281 A HN 1.022 nan 8.150 nan 0.000 0.491 282 S N 2.028 117.837 115.700 0.183 0.000 2.461 282 S HA 0.052 4.522 4.470 0.000 0.000 0.228 282 S C 1.121 175.816 174.600 0.157 0.000 1.005 282 S CA 0.845 59.146 58.200 0.169 0.000 0.942 282 S CB -0.049 63.257 63.200 0.177 0.000 0.776 282 S HN 1.296 nan 8.310 nan 0.000 0.514 283 G N 2.042 110.960 108.800 0.197 0.000 4.486 283 G HA2 0.526 4.486 3.960 0.000 0.000 0.306 283 G HA3 0.526 4.486 3.960 0.000 0.000 0.306 283 G C -0.182 174.847 174.900 0.214 0.000 1.331 283 G CA -0.087 45.135 45.100 0.202 0.000 1.113 283 G HN 0.632 nan 8.290 nan 0.000 0.594 284 V N -2.382 117.639 119.914 0.177 0.000 3.046 284 V HA 0.581 4.702 4.120 0.000 0.000 0.316 284 V C 1.312 177.479 176.094 0.122 0.000 1.104 284 V CA -0.968 61.453 62.300 0.201 0.000 1.006 284 V CB 1.759 33.772 31.823 0.317 0.000 1.058 284 V HN 0.080 nan 8.190 nan 0.000 0.440 285 L N 2.570 123.879 121.223 0.143 0.000 2.079 285 L HA -0.055 4.285 4.340 0.000 0.000 0.210 285 L C 2.370 179.246 176.870 0.010 0.000 1.081 285 L CA 3.117 58.023 54.840 0.109 0.000 0.752 285 L CB -0.661 41.491 42.059 0.156 0.000 0.896 285 L HN 1.109 nan 8.230 nan 0.000 0.433 286 T N -5.832 108.644 114.554 -0.130 0.000 3.148 286 T HA -0.012 4.338 4.350 0.000 0.000 0.253 286 T C 1.555 176.184 174.700 -0.118 0.000 1.134 286 T CA 0.743 62.715 62.100 -0.212 0.000 1.051 286 T CB -0.748 67.829 68.868 -0.486 0.000 0.959 286 T HN 0.299 nan 8.240 nan 0.000 0.525 287 T N 1.949 116.468 114.554 -0.058 0.000 2.652 287 T HA -0.165 4.185 4.350 0.000 0.000 0.267 287 T C 2.200 176.918 174.700 0.030 0.000 1.039 287 T CA 1.794 63.902 62.100 0.013 0.000 1.153 287 T CB -0.671 68.230 68.868 0.055 0.000 0.863 287 T HN 0.559 nan 8.240 nan 0.000 0.428 288 S N -0.119 115.571 115.700 -0.015 0.000 2.345 288 S HA -0.149 4.322 4.470 0.000 0.000 0.220 288 S C 2.455 177.072 174.600 0.028 0.000 1.031 288 S CA 1.410 59.592 58.200 -0.031 0.000 0.996 288 S CB -1.004 62.062 63.200 -0.223 0.000 0.882 288 S HN 0.666 nan 8.310 nan 0.000 0.445 289 C N 1.358 120.644 119.300 -0.024 0.000 2.413 289 C HA 0.083 4.543 4.460 0.000 0.000 0.277 289 C C 2.768 177.802 174.990 0.073 0.000 1.265 289 C CA 1.162 60.186 59.018 0.011 0.000 1.752 289 C CB -1.832 25.882 27.740 -0.043 0.000 1.998 289 C HN 0.729 nan 8.230 nan 0.000 0.489 290 G N 0.125 108.976 108.800 0.085 0.000 2.394 290 G HA2 -0.149 3.811 3.960 0.000 0.000 0.215 290 G HA3 -0.149 3.811 3.960 0.000 0.000 0.215 290 G C 1.534 176.519 174.900 0.142 0.000 1.165 290 G CA 0.824 45.983 45.100 0.098 0.000 0.784 290 G HN 0.561 nan 8.290 nan 0.000 0.535 291 N N 0.548 119.348 118.700 0.167 0.000 2.120 291 N HA -0.075 4.665 4.740 0.000 0.000 0.188 291 N C 2.406 177.992 175.510 0.126 0.000 1.024 291 N CA 1.580 54.769 53.050 0.231 0.000 0.852 291 N CB -0.651 37.908 38.487 0.120 0.000 1.003 291 N HN 0.225 nan 8.380 nan 0.000 0.424 292 T N 1.598 116.221 114.554 0.114 0.000 2.708 292 T HA -0.019 4.331 4.350 0.000 0.000 0.266 292 T C 2.124 176.907 174.700 0.137 0.000 1.037 292 T CA 0.729 62.906 62.100 0.129 0.000 1.146 292 T CB -0.317 68.692 68.868 0.235 0.000 0.865 292 T HN 0.130 nan 8.240 nan 0.000 0.435 293 L N 0.611 121.891 121.223 0.094 0.000 2.046 293 L HA -0.117 4.223 4.340 0.000 0.000 0.208 293 L C 2.932 179.887 176.870 0.142 0.000 1.077 293 L CA 1.229 56.110 54.840 0.068 0.000 0.747 293 L CB -0.954 41.097 42.059 -0.014 0.000 0.896 293 L HN 0.293 nan 8.230 nan 0.000 0.432 294 T N -1.502 113.158 114.554 0.177 0.000 2.812 294 T HA -0.207 4.143 4.350 0.000 0.000 0.264 294 T C 2.022 176.909 174.700 0.312 0.000 1.042 294 T CA 1.327 63.560 62.100 0.223 0.000 1.140 294 T CB -0.436 68.594 68.868 0.269 0.000 0.870 294 T HN 0.430 nan 8.240 nan 0.000 0.445 295 C N 0.764 120.304 119.300 0.401 0.000 2.413 295 C HA -0.125 4.335 4.460 0.000 0.000 0.276 295 C C 2.405 177.535 174.990 0.233 0.000 1.236 295 C CA 0.701 59.924 59.018 0.341 0.000 1.735 295 C CB -1.365 26.437 27.740 0.103 0.000 2.031 295 C HN 0.663 nan 8.230 nan 0.000 0.474 296 Y N 0.762 121.112 120.300 0.084 0.000 2.224 296 Y HA -0.104 4.446 4.550 -0.000 0.000 0.289 296 Y C 2.136 178.047 175.900 0.017 0.000 1.146 296 Y CA 1.994 60.122 58.100 0.047 0.000 1.182 296 Y CB -0.449 38.025 38.460 0.023 0.000 0.983 296 Y HN 0.350 nan 8.280 nan 0.000 0.524 297 L N 0.924 122.215 121.223 0.112 0.000 2.005 297 L HA -0.136 4.204 4.340 0.000 0.000 0.207 297 L C 2.133 178.915 176.870 -0.147 0.000 1.072 297 L CA 1.918 56.709 54.840 -0.081 0.000 0.744 297 L CB -0.917 41.062 42.059 -0.134 0.000 0.895 297 L HN 0.098 nan 8.230 nan 0.000 0.433 298 K N -0.319 120.065 120.400 -0.027 0.000 2.002 298 K HA -0.123 4.197 4.320 0.000 0.000 0.209 298 K C 2.114 178.739 176.600 0.041 0.000 1.048 298 K CA 1.558 57.850 56.287 0.009 0.000 0.930 298 K CB -0.530 32.062 32.500 0.154 0.000 0.714 298 K HN 0.492 nan 8.250 nan 0.000 0.438 299 A N 1.072 123.906 122.820 0.023 0.000 1.908 299 A HA -0.187 4.133 4.320 0.000 0.000 0.218 299 A C 2.246 179.861 177.584 0.052 0.000 1.181 299 A CA 2.017 54.094 52.037 0.068 0.000 0.627 299 A CB -0.651 18.445 19.000 0.161 0.000 0.818 299 A HN 0.201 nan 8.150 nan 0.000 0.445 300 S N -0.203 115.401 115.700 -0.160 0.000 2.359 300 S HA -0.088 4.382 4.470 0.000 0.000 0.224 300 S C 2.311 176.858 174.600 -0.088 0.000 1.035 300 S CA 1.353 59.419 58.200 -0.223 0.000 1.018 300 S CB -0.505 62.410 63.200 -0.475 0.000 0.876 300 S HN 0.822 nan 8.310 nan 0.000 0.448 301 A N 1.171 123.960 122.820 -0.051 0.000 1.969 301 A HA 0.203 4.523 4.320 0.000 0.000 0.218 301 A C 2.270 179.920 177.584 0.109 0.000 1.169 301 A CA 1.553 53.624 52.037 0.058 0.000 0.635 301 A CB -0.833 18.227 19.000 0.100 0.000 0.810 301 A HN 0.510 nan 8.150 nan 0.000 0.445 302 A N -1.289 121.601 122.820 0.117 0.000 1.968 302 A HA -0.075 4.245 4.320 0.000 0.000 0.217 302 A C 2.202 179.841 177.584 0.093 0.000 1.169 302 A CA 1.390 53.374 52.037 -0.088 0.000 0.638 302 A CB -1.084 17.509 19.000 -0.679 0.000 0.812 302 A HN 0.562 nan 8.150 nan 0.000 0.446 303 C N -0.640 118.800 119.300 0.234 0.000 2.425 303 C HA -0.077 4.383 4.460 0.000 0.000 0.277 303 C C 2.892 177.896 174.990 0.024 0.000 1.280 303 C CA 1.066 60.222 59.018 0.230 0.000 1.744 303 C CB -1.217 26.608 27.740 0.141 0.000 1.989 303 C HN 0.605 nan 8.230 nan 0.000 0.491 304 R N 1.101 121.522 120.500 -0.131 0.000 2.075 304 R HA -0.070 4.270 4.340 0.000 0.000 0.232 304 R C 2.430 178.463 176.300 -0.444 0.000 1.126 304 R CA 1.545 57.428 56.100 -0.362 0.000 0.963 304 R CB -0.605 29.315 30.300 -0.634 0.000 0.858 304 R HN 0.521 nan 8.270 nan 0.000 0.435 305 A N 1.552 124.143 122.820 -0.381 0.000 1.908 305 A HA -0.121 4.199 4.320 0.000 0.000 0.218 305 A C 2.319 179.894 177.584 -0.015 0.000 1.181 305 A CA 1.811 53.786 52.037 -0.102 0.000 0.627 305 A CB -0.550 18.447 19.000 -0.005 0.000 0.818 305 A HN 0.403 nan 8.150 nan 0.000 0.445 306 A N -1.623 121.206 122.820 0.015 0.000 2.167 306 A HA 0.183 4.503 4.320 0.000 0.000 0.214 306 A C 1.110 178.716 177.584 0.036 0.000 1.151 306 A CA 0.990 53.063 52.037 0.060 0.000 0.735 306 A CB -0.376 18.720 19.000 0.160 0.000 0.802 306 A HN 0.501 nan 8.150 nan 0.000 0.467 307 K N -1.017 119.389 120.400 0.011 0.000 3.071 307 K HA -0.158 4.162 4.320 0.000 0.000 0.265 307 K C -0.806 175.803 176.600 0.015 0.000 1.060 307 K CA 0.462 56.754 56.287 0.009 0.000 0.767 307 K CB -2.034 30.477 32.500 0.018 0.000 1.241 307 K HN 0.562 nan 8.250 nan 0.000 0.486 308 L N 1.718 122.957 121.223 0.026 0.000 2.453 308 L HA 0.018 4.358 4.340 0.000 0.000 0.272 308 L C 1.031 177.905 176.870 0.007 0.000 1.182 308 L CA 0.121 54.975 54.840 0.023 0.000 0.858 308 L CB 0.277 42.361 42.059 0.043 0.000 1.120 308 L HN 0.062 nan 8.230 nan 0.000 0.474 309 Q N 2.075 121.873 119.800 -0.003 0.000 2.256 309 Q HA 0.140 4.480 4.340 0.000 0.000 0.257 309 Q C -0.300 175.685 176.000 -0.025 0.000 0.936 309 Q CA -0.612 55.184 55.803 -0.012 0.000 0.903 309 Q CB 1.342 30.072 28.738 -0.014 0.000 1.263 309 Q HN 0.524 nan 8.270 nan 0.000 0.440 310 D N 0.595 120.981 120.400 -0.024 0.000 2.737 310 D HA -0.173 4.467 4.640 0.000 0.000 0.238 310 D C -1.005 175.273 176.300 -0.038 0.000 1.157 310 D CA 0.212 54.192 54.000 -0.032 0.000 0.694 310 D CB -0.864 39.907 40.800 -0.049 0.000 1.021 310 D HN 0.563 nan 8.370 nan 0.000 0.420 311 C N 0.729 120.015 119.300 -0.023 0.000 2.653 311 C HA 0.432 4.893 4.460 0.000 0.000 0.421 311 C C 0.940 175.920 174.990 -0.016 0.000 1.334 311 C CA 0.156 59.158 59.018 -0.026 0.000 1.885 311 C CB 0.287 28.018 27.740 -0.014 0.000 2.645 311 C HN 0.462 nan 8.230 nan 0.000 0.601 312 T N 5.818 120.356 114.554 -0.027 0.000 2.879 312 T HA 0.476 4.826 4.350 0.000 0.000 0.290 312 T C -0.502 174.214 174.700 0.026 0.000 0.993 312 T CA -0.279 61.835 62.100 0.024 0.000 0.975 312 T CB 1.019 69.882 68.868 -0.009 0.000 0.981 312 T HN 0.551 nan 8.240 nan 0.000 0.439 313 M N 3.070 122.727 119.600 0.095 0.000 2.508 313 M HA 0.649 5.129 4.480 0.000 0.000 0.327 313 M C -1.327 175.077 176.300 0.173 0.000 1.160 313 M CA -1.115 54.230 55.300 0.074 0.000 0.980 313 M CB 2.088 34.717 32.600 0.048 0.000 1.693 313 M HN 0.323 nan 8.290 nan 0.000 0.452 314 L N 3.101 124.387 121.223 0.105 0.000 2.404 314 L HA 0.660 5.000 4.340 0.000 0.000 0.272 314 L C -1.560 175.301 176.870 -0.015 0.000 0.980 314 L CA -0.461 54.428 54.840 0.080 0.000 0.836 314 L CB 1.761 43.900 42.059 0.134 0.000 1.238 314 L HN 0.474 nan 8.230 nan 0.000 0.408 315 V N 4.320 124.204 119.914 -0.049 0.000 2.531 315 V HA 0.560 4.680 4.120 0.000 0.000 0.301 315 V C -0.735 175.191 176.094 -0.280 0.000 1.034 315 V CA -0.636 61.618 62.300 -0.077 0.000 0.865 315 V CB 1.899 33.772 31.823 0.084 0.000 0.995 315 V HN 0.778 nan 8.190 nan 0.000 0.424 316 N N 3.784 122.251 118.700 -0.388 0.000 2.623 316 N HA 0.620 5.360 4.740 0.000 0.000 0.256 316 N C 0.658 176.025 175.510 -0.239 0.000 1.045 316 N CA 0.518 53.105 53.050 -0.771 0.000 0.863 316 N CB 1.732 39.585 38.487 -1.057 0.000 1.182 316 N HN 1.036 nan 8.380 nan 0.000 0.523 317 G N 2.629 111.472 108.800 0.072 0.000 2.629 317 G HA2 -0.427 3.533 3.960 0.000 0.000 0.313 317 G HA3 -0.427 3.533 3.960 0.000 0.000 0.313 317 G C 0.572 175.335 174.900 -0.228 0.000 1.217 317 G CA 0.923 46.053 45.100 0.050 0.000 0.994 317 G HN 0.641 nan 8.290 nan 0.000 0.549 318 D N 1.153 121.325 120.400 -0.380 0.000 2.349 318 D HA 0.133 4.773 4.640 0.000 0.000 0.224 318 D C 0.533 176.660 176.300 -0.288 0.000 1.029 318 D CA 0.909 54.465 54.000 -0.740 0.000 0.879 318 D CB -0.044 40.332 40.800 -0.707 0.000 0.906 318 D HN 0.434 nan 8.370 nan 0.000 0.528 319 D N 0.465 120.769 120.400 -0.159 0.000 2.280 319 D HA 0.312 4.952 4.640 0.000 0.000 0.243 319 D C -1.089 175.174 176.300 -0.062 0.000 1.129 319 D CA -0.602 53.352 54.000 -0.077 0.000 0.848 319 D CB 1.082 41.833 40.800 -0.082 0.000 1.107 319 D HN 0.028 nan 8.370 nan 0.000 0.471 320 L N 5.147 126.377 121.223 0.012 0.000 2.410 320 L HA 0.518 4.858 4.340 0.000 0.000 0.270 320 L C -1.733 175.126 176.870 -0.018 0.000 0.983 320 L CA -0.712 54.144 54.840 0.027 0.000 0.822 320 L CB 1.880 44.023 42.059 0.140 0.000 1.285 320 L HN 0.154 nan 8.230 nan 0.000 0.409 321 V N 5.860 125.720 119.914 -0.090 0.000 2.709 321 V HA 0.794 4.914 4.120 0.000 0.000 0.308 321 V C -1.422 174.497 176.094 -0.292 0.000 1.062 321 V CA -0.380 61.802 62.300 -0.196 0.000 0.901 321 V CB 2.445 34.195 31.823 -0.122 0.000 1.003 321 V HN 0.571 nan 8.190 nan 0.000 0.425 322 V N 7.590 127.141 119.914 -0.604 0.000 2.487 322 V HA 0.582 4.702 4.120 0.000 0.000 0.298 322 V C -0.316 175.533 176.094 -0.408 0.000 1.028 322 V CA -0.458 61.485 62.300 -0.594 0.000 0.860 322 V CB 1.690 32.885 31.823 -1.046 0.000 0.991 322 V HN 0.737 nan 8.190 nan 0.000 0.427 323 I N 4.969 125.434 120.570 -0.175 0.000 2.433 323 I HA 0.710 4.880 4.170 0.000 0.000 0.292 323 I C 0.001 176.060 176.117 -0.097 0.000 1.001 323 I CA -0.325 60.935 61.300 -0.067 0.000 1.119 323 I CB 1.678 39.691 38.000 0.023 0.000 1.289 323 I HN 0.902 nan 8.210 nan 0.000 0.438 324 C N 2.651 121.889 119.300 -0.102 0.000 3.318 324 C HA 0.556 5.017 4.460 0.000 0.000 0.329 324 C C -0.583 174.325 174.990 -0.137 0.000 1.449 324 C CA -0.906 58.055 59.018 -0.095 0.000 1.397 324 C CB 1.860 29.580 27.740 -0.033 0.000 1.810 324 C HN 0.632 nan 8.230 nan 0.000 0.449 325 E N 1.867 122.007 120.200 -0.100 0.000 2.290 325 E HA 0.278 4.629 4.350 0.000 0.000 0.277 325 E C 0.088 176.655 176.600 -0.055 0.000 1.035 325 E CA 0.509 56.851 56.400 -0.097 0.000 0.873 325 E CB 1.645 31.302 29.700 -0.072 0.000 1.029 325 E HN 0.714 nan 8.360 nan 0.000 0.419 326 S N 1.853 117.527 115.700 -0.043 0.000 2.564 326 S HA 0.295 4.766 4.470 0.000 0.000 0.278 326 S C 0.436 175.048 174.600 0.020 0.000 1.333 326 S CA -0.007 58.210 58.200 0.030 0.000 1.048 326 S CB 0.651 63.925 63.200 0.123 0.000 0.900 326 S HN 0.514 nan 8.310 nan 0.000 0.505 327 A N 3.356 126.196 122.820 0.034 0.000 2.574 327 A HA 0.652 4.972 4.320 0.000 0.000 0.283 327 A C 0.862 178.458 177.584 0.018 0.000 1.270 327 A CA 0.162 52.209 52.037 0.017 0.000 0.945 327 A CB -0.945 18.062 19.000 0.012 0.000 1.127 327 A HN 1.891 nan 8.150 nan 0.000 0.522 328 G N -1.514 107.303 108.800 0.029 0.000 2.675 328 G HA2 -0.056 3.904 3.960 0.000 0.000 0.686 328 G HA3 -0.056 3.904 3.960 0.000 0.000 0.686 328 G C 0.432 175.351 174.900 0.031 0.000 1.215 328 G CA -0.241 44.862 45.100 0.005 0.000 0.777 328 G HN 0.420 nan 8.290 nan 0.000 0.638 329 T N 0.479 115.020 114.554 -0.022 0.000 2.635 329 T HA -0.221 4.129 4.350 0.000 0.000 0.267 329 T C 2.267 176.996 174.700 0.048 0.000 1.040 329 T CA 2.282 64.386 62.100 0.007 0.000 1.156 329 T CB -0.233 68.587 68.868 -0.079 0.000 0.863 329 T HN 0.603 nan 8.240 nan 0.000 0.430 330 Q N 0.062 119.872 119.800 0.016 0.000 2.123 330 Q HA -0.084 4.256 4.340 0.000 0.000 0.199 330 Q C 2.461 178.472 176.000 0.018 0.000 0.966 330 Q CA 0.947 56.759 55.803 0.015 0.000 0.845 330 Q CB 0.047 28.787 28.738 0.003 0.000 0.907 330 Q HN 0.599 nan 8.270 nan 0.000 0.439 331 E N 0.542 120.753 120.200 0.018 0.000 2.077 331 E HA -0.183 4.167 4.350 0.000 0.000 0.193 331 E C 1.537 178.147 176.600 0.017 0.000 0.989 331 E CA 1.092 57.501 56.400 0.015 0.000 0.800 331 E CB 0.011 29.719 29.700 0.013 0.000 0.746 331 E HN 0.380 nan 8.360 nan 0.000 0.452 332 D N 0.709 121.133 120.400 0.039 0.000 2.144 332 D HA -0.125 4.515 4.640 0.000 0.000 0.199 332 D C 1.847 178.139 176.300 -0.014 0.000 0.984 332 D CA 1.255 55.272 54.000 0.028 0.000 0.834 332 D CB -0.223 40.642 40.800 0.109 0.000 0.955 332 D HN 0.145 nan 8.370 nan 0.000 0.465 333 A N 0.852 123.680 122.820 0.013 0.000 1.930 333 A HA 0.023 4.343 4.320 0.000 0.000 0.217 333 A C 2.286 179.857 177.584 -0.022 0.000 1.175 333 A CA 1.944 53.977 52.037 -0.008 0.000 0.627 333 A CB -0.543 18.466 19.000 0.016 0.000 0.815 333 A HN 0.231 nan 8.150 nan 0.000 0.443 334 A N -0.678 122.136 122.820 -0.009 0.000 1.873 334 A HA -0.037 4.284 4.320 0.000 0.000 0.215 334 A C 2.442 180.020 177.584 -0.011 0.000 1.186 334 A CA 1.931 53.964 52.037 -0.007 0.000 0.616 334 A CB -0.916 18.084 19.000 -0.000 0.000 0.823 334 A HN 0.420 nan 8.150 nan 0.000 0.442 335 S N -0.161 115.528 115.700 -0.017 0.000 2.370 335 S HA -0.110 4.360 4.470 0.000 0.000 0.226 335 S C 1.850 176.432 174.600 -0.029 0.000 1.033 335 S CA 1.319 59.511 58.200 -0.014 0.000 1.011 335 S CB -0.422 62.767 63.200 -0.018 0.000 0.852 335 S HN 0.481 nan 8.310 nan 0.000 0.457 336 L N 0.843 121.996 121.223 -0.117 0.000 2.046 336 L HA -0.123 4.217 4.340 0.000 0.000 0.208 336 L C 2.697 179.554 176.870 -0.021 0.000 1.077 336 L CA 1.391 56.108 54.840 -0.205 0.000 0.747 336 L CB -0.424 41.434 42.059 -0.336 0.000 0.896 336 L HN 0.301 nan 8.230 nan 0.000 0.432 337 R N -0.939 119.554 120.500 -0.012 0.000 2.081 337 R HA -0.134 4.206 4.340 0.000 0.000 0.235 337 R C 2.164 178.482 176.300 0.030 0.000 1.131 337 R CA 1.182 57.292 56.100 0.017 0.000 0.960 337 R CB -0.343 29.958 30.300 0.003 0.000 0.856 337 R HN 0.208 nan 8.270 nan 0.000 0.436 338 V N 0.756 120.686 119.914 0.027 0.000 2.295 338 V HA -0.262 3.858 4.120 0.000 0.000 0.246 338 V C 1.944 178.054 176.094 0.026 0.000 1.049 338 V CA 1.849 64.160 62.300 0.017 0.000 1.024 338 V CB -0.585 31.251 31.823 0.021 0.000 0.648 338 V HN 0.244 nan 8.190 nan 0.000 0.447 339 F N 1.470 121.375 119.950 -0.075 0.000 2.126 339 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 339 F C 2.383 178.133 175.800 -0.082 0.000 1.096 339 F CA 2.296 60.250 58.000 -0.078 0.000 1.255 339 F CB -0.442 38.514 39.000 -0.074 0.000 0.997 339 F HN 0.125 nan 8.300 nan 0.000 0.479 340 T N -0.161 114.471 114.554 0.130 0.000 2.867 340 T HA -0.151 4.200 4.350 0.000 0.000 0.268 340 T C 1.663 176.349 174.700 -0.023 0.000 1.057 340 T CA 1.575 63.759 62.100 0.140 0.000 1.136 340 T CB -0.271 68.748 68.868 0.252 0.000 0.874 340 T HN 0.393 nan 8.240 nan 0.000 0.466 341 E N 1.026 121.190 120.200 -0.061 0.000 2.072 341 E HA -0.017 4.333 4.350 0.000 0.000 0.191 341 E C 2.525 178.994 176.600 -0.219 0.000 0.985 341 E CA 0.962 57.301 56.400 -0.101 0.000 0.801 341 E CB -0.173 29.484 29.700 -0.072 0.000 0.750 341 E HN 0.466 nan 8.360 nan 0.000 0.452 342 A N 1.016 123.644 122.820 -0.321 0.000 1.898 342 A HA -0.162 4.158 4.320 0.000 0.000 0.216 342 A C 2.130 179.240 177.584 -0.789 0.000 1.181 342 A CA 1.093 52.782 52.037 -0.581 0.000 0.620 342 A CB -0.279 18.418 19.000 -0.504 0.000 0.819 342 A HN 0.120 nan 8.150 nan 0.000 0.442 343 M N -0.149 119.119 119.600 -0.554 0.000 2.108 343 M HA -0.121 4.359 4.480 0.000 0.000 0.261 343 M C 2.155 178.381 176.300 -0.124 0.000 1.066 343 M CA 2.045 57.148 55.300 -0.327 0.000 1.107 343 M CB -1.884 30.438 32.600 -0.464 0.000 1.356 343 M HN 0.452 nan 8.290 nan 0.000 0.406 344 T N -0.076 114.408 114.554 -0.118 0.000 2.777 344 T HA -0.097 4.253 4.350 0.000 0.000 0.266 344 T C 1.956 176.605 174.700 -0.085 0.000 1.040 344 T CA 1.042 63.113 62.100 -0.048 0.000 1.141 344 T CB -0.194 68.653 68.868 -0.033 0.000 0.868 344 T HN 0.376 nan 8.240 nan 0.000 0.444 345 R N 0.077 120.459 120.500 -0.196 0.000 2.127 345 R HA -0.072 4.268 4.340 0.000 0.000 0.238 345 R C 1.531 177.786 176.300 -0.075 0.000 1.134 345 R CA 1.126 57.115 56.100 -0.185 0.000 0.975 345 R CB -0.268 29.860 30.300 -0.287 0.000 0.865 345 R HN 0.430 nan 8.270 nan 0.000 0.447 346 Y N 0.689 120.942 120.300 -0.079 0.000 2.502 346 Y HA 0.034 4.584 4.550 -0.000 0.000 0.295 346 Y C 0.732 176.592 175.900 -0.067 0.000 1.193 346 Y CA -0.092 57.952 58.100 -0.094 0.000 1.295 346 Y CB -0.579 37.849 38.460 -0.054 0.000 1.059 346 Y HN 0.081 nan 8.280 nan 0.000 0.514 347 S N -0.459 115.292 115.700 0.086 0.000 3.866 347 S HA -0.050 4.420 4.470 0.000 0.000 0.427 347 S C -0.098 174.536 174.600 0.056 0.000 0.891 347 S CA 0.378 58.613 58.200 0.060 0.000 1.275 347 S CB -1.711 61.512 63.200 0.038 0.000 0.872 347 S HN 1.055 nan 8.310 nan 0.000 0.562 348 A N 0.913 123.788 122.820 0.092 0.000 3.426 348 A HA 0.627 4.947 4.320 0.000 0.000 0.222 348 A C -2.283 175.446 177.584 0.241 0.000 1.090 348 A CA -0.353 51.777 52.037 0.156 0.000 1.026 348 A CB 0.806 19.933 19.000 0.211 0.000 1.342 348 A HN 0.545 nan 8.150 nan 0.000 0.695 349 P HA 0.406 nan 4.420 nan 0.000 0.274 349 P C -2.921 174.440 177.300 0.100 0.000 1.237 349 P CA -1.197 61.981 63.100 0.131 0.000 0.793 349 P CB 0.689 32.399 31.700 0.016 0.000 0.977 350 P HA 0.131 nan 4.420 nan 0.000 0.279 350 P C 0.722 177.956 177.300 -0.110 0.000 1.252 350 P CA -0.013 62.966 63.100 -0.201 0.000 0.811 350 P CB 0.733 32.220 31.700 -0.355 0.000 1.035 351 G N 0.955 109.689 108.800 -0.111 0.000 2.658 351 G HA2 -0.012 3.948 3.960 0.000 0.000 0.217 351 G HA3 -0.012 3.948 3.960 0.000 0.000 0.217 351 G C -0.238 174.621 174.900 -0.068 0.000 1.319 351 G CA 0.121 45.183 45.100 -0.063 0.000 0.885 351 G HN 0.471 nan 8.290 nan 0.000 0.553 352 D N 2.716 123.075 120.400 -0.069 0.000 2.383 352 D HA 0.271 4.911 4.640 0.000 0.000 0.252 352 D C -2.161 174.093 176.300 -0.076 0.000 1.166 352 D CA -1.015 52.952 54.000 -0.055 0.000 0.879 352 D CB 1.135 41.912 40.800 -0.038 0.000 1.164 352 D HN 0.098 nan 8.370 nan 0.000 0.462 353 P HA 0.110 nan 4.420 nan 0.000 0.267 353 P C -2.343 174.948 177.300 -0.014 0.000 1.205 353 P CA -0.995 62.087 63.100 -0.030 0.000 0.765 353 P CB -0.177 31.516 31.700 -0.010 0.000 0.828 354 P HA 0.141 nan 4.420 nan 0.000 0.272 354 P C -0.555 176.745 177.300 -0.000 0.000 1.223 354 P CA 0.155 63.285 63.100 0.049 0.000 0.784 354 P CB 0.734 32.531 31.700 0.162 0.000 0.923 355 Q N 1.389 121.199 119.800 0.017 0.000 2.347 355 Q HA 0.408 4.748 4.340 0.000 0.000 0.271 355 Q C -2.476 173.521 176.000 -0.004 0.000 1.064 355 Q CA -2.014 53.786 55.803 -0.004 0.000 0.800 355 Q CB 2.138 30.889 28.738 0.022 0.000 1.304 355 Q HN 0.371 nan 8.270 nan 0.000 0.438 356 P HA 0.161 nan 4.420 nan 0.000 0.271 356 P C -0.497 176.706 177.300 -0.161 0.000 1.216 356 P CA -0.040 62.989 63.100 -0.118 0.000 0.771 356 P CB 1.129 32.743 31.700 -0.142 0.000 0.864 357 E N 1.865 121.923 120.200 -0.235 0.000 2.256 357 E HA 0.244 4.594 4.350 0.000 0.000 0.267 357 E C -0.479 175.937 176.600 -0.307 0.000 0.892 357 E CA -0.453 55.850 56.400 -0.162 0.000 0.775 357 E CB 1.480 31.172 29.700 -0.014 0.000 1.207 357 E HN 0.446 nan 8.360 nan 0.000 0.420 358 Y N -0.481 119.960 120.300 0.235 0.000 2.527 358 Y HA 0.151 4.701 4.550 -0.000 0.000 0.247 358 Y C 0.265 176.398 175.900 0.389 0.000 1.138 358 Y CA -0.425 57.864 58.100 0.313 0.000 1.228 358 Y CB 1.060 39.615 38.460 0.159 0.000 1.252 358 Y HN 0.274 nan 8.280 nan 0.000 0.531 359 D N 0.571 121.140 120.400 0.281 0.000 2.440 359 D HA 0.119 4.759 4.640 0.000 0.000 0.239 359 D C 0.761 176.886 176.300 -0.291 0.000 1.084 359 D CA -0.353 53.688 54.000 0.069 0.000 0.843 359 D CB 1.588 42.423 40.800 0.058 0.000 1.097 359 D HN 0.098 nan 8.370 nan 0.000 0.531 360 L N 4.130 124.853 121.223 -0.832 0.000 2.189 360 L HA -0.126 4.214 4.340 0.000 0.000 0.214 360 L C 1.500 178.047 176.870 -0.538 0.000 1.097 360 L CA 1.925 56.061 54.840 -1.174 0.000 0.764 360 L CB -0.226 40.827 42.059 -1.677 0.000 0.900 360 L HN 0.524 nan 8.230 nan 0.000 0.436 361 E N -0.864 119.135 120.200 -0.335 0.000 2.418 361 E HA -0.106 4.244 4.350 0.000 0.000 0.197 361 E C 1.803 178.320 176.600 -0.137 0.000 1.026 361 E CA 0.655 56.937 56.400 -0.196 0.000 0.862 361 E CB -0.098 29.531 29.700 -0.119 0.000 0.799 361 E HN 0.557 nan 8.360 nan 0.000 0.518 362 L N 0.738 121.882 121.223 -0.131 0.000 2.607 362 L HA 0.230 4.570 4.340 0.000 0.000 0.228 362 L C 0.587 177.413 176.870 -0.073 0.000 1.123 362 L CA -0.161 54.635 54.840 -0.073 0.000 0.890 362 L CB 0.247 42.287 42.059 -0.031 0.000 1.103 362 L HN 0.018 nan 8.230 nan 0.000 0.468 363 I N 0.201 120.698 120.570 -0.122 0.000 2.342 363 I HA 0.111 4.281 4.170 0.000 0.000 0.291 363 I C 0.075 176.147 176.117 -0.075 0.000 1.010 363 I CA 0.155 61.398 61.300 -0.095 0.000 1.308 363 I CB 1.428 39.344 38.000 -0.140 0.000 1.400 363 I HN -0.081 nan 8.210 nan 0.000 0.488 364 T N 5.041 119.574 114.554 -0.036 0.000 2.749 364 T HA 0.455 4.805 4.350 0.000 0.000 0.287 364 T C -0.197 174.497 174.700 -0.009 0.000 0.970 364 T CA -0.619 61.471 62.100 -0.017 0.000 0.980 364 T CB 0.841 69.709 68.868 -0.001 0.000 0.924 364 T HN 0.719 nan 8.240 nan 0.000 0.456 365 S N 0.918 116.614 115.700 -0.007 0.000 2.548 365 S HA 0.408 4.878 4.470 0.000 0.000 0.276 365 S C 0.045 174.652 174.600 0.011 0.000 1.129 365 S CA -0.813 57.382 58.200 -0.009 0.000 0.931 365 S CB 0.641 63.818 63.200 -0.038 0.000 1.068 365 S HN 0.888 nan 8.310 nan 0.000 0.480 366 C N 2.488 121.793 119.300 0.009 0.000 4.028 366 C HA -0.161 4.300 4.460 0.000 0.000 0.300 366 C C 1.415 176.473 174.990 0.114 0.000 1.399 366 C CA 0.794 59.839 59.018 0.045 0.000 2.051 366 C CB -3.270 24.484 27.740 0.024 0.000 1.318 366 C HN 1.706 nan 8.230 nan 0.000 0.696 367 S N -1.701 114.057 115.700 0.097 0.000 3.257 367 S HA -0.211 4.259 4.470 0.000 0.000 0.300 367 S C 0.319 175.001 174.600 0.135 0.000 1.275 367 S CA 1.361 59.629 58.200 0.113 0.000 1.023 367 S CB -0.829 62.458 63.200 0.146 0.000 1.180 367 S HN 1.036 nan 8.310 nan 0.000 0.660 368 S N 1.770 117.549 115.700 0.132 0.000 2.634 368 S HA 0.735 5.205 4.470 0.000 0.000 0.296 368 S C -0.382 174.254 174.600 0.060 0.000 1.104 368 S CA -0.964 57.334 58.200 0.163 0.000 0.920 368 S CB 1.751 65.109 63.200 0.264 0.000 1.111 368 S HN 0.579 nan 8.310 nan 0.000 0.493 369 N N -0.547 118.173 118.700 0.033 0.000 2.284 369 N HA 0.431 5.171 4.740 0.000 0.000 0.289 369 N C -1.326 174.122 175.510 -0.103 0.000 1.179 369 N CA -0.613 52.408 53.050 -0.050 0.000 0.774 369 N CB 1.187 39.635 38.487 -0.065 0.000 1.548 369 N HN 0.317 nan 8.380 nan 0.000 0.473 370 V N 0.679 120.501 119.914 -0.154 0.000 2.637 370 V HA 0.299 4.419 4.120 0.000 0.000 0.296 370 V C 0.626 176.587 176.094 -0.221 0.000 1.046 370 V CA 0.151 62.335 62.300 -0.192 0.000 1.066 370 V CB 0.672 32.375 31.823 -0.200 0.000 0.968 370 V HN 0.849 nan 8.190 nan 0.000 0.483 371 S N 3.094 118.580 115.700 -0.357 0.000 2.685 371 S HA 0.774 5.244 4.470 0.000 0.000 0.282 371 S C -1.301 173.155 174.600 -0.241 0.000 1.159 371 S CA -0.486 57.532 58.200 -0.304 0.000 0.833 371 S CB 2.080 65.069 63.200 -0.352 0.000 1.151 371 S HN 0.705 nan 8.310 nan 0.000 0.485 372 V N 1.409 121.278 119.914 -0.076 0.000 2.735 372 V HA 0.974 5.094 4.120 0.000 0.000 0.310 372 V C -0.119 175.932 176.094 -0.073 0.000 1.061 372 V CA 0.260 62.458 62.300 -0.171 0.000 0.913 372 V CB 1.101 32.673 31.823 -0.419 0.000 1.005 372 V HN 1.288 nan 8.190 nan 0.000 0.428 373 A N 4.500 127.164 122.820 -0.260 0.000 2.539 373 A HA 0.947 5.267 4.320 0.000 0.000 0.272 373 A C -1.480 175.645 177.584 -0.765 0.000 1.286 373 A CA -0.553 51.183 52.037 -0.502 0.000 0.792 373 A CB 1.534 20.087 19.000 -0.746 0.000 1.355 373 A HN 1.015 nan 8.150 nan 0.000 0.472 374 H N 0.063 118.771 119.070 -0.604 0.000 2.600 374 H HA 0.469 5.025 4.556 0.000 0.000 0.357 374 H C -0.816 174.164 175.328 -0.581 0.000 1.106 374 H CA -0.423 55.276 56.048 -0.581 0.000 1.193 374 H CB 1.402 30.764 29.762 -0.668 0.000 1.594 374 H HN 0.792 nan 8.280 nan 0.000 0.526 375 D N 1.239 121.545 120.400 -0.157 0.000 2.440 375 D HA 0.181 4.821 4.640 0.000 0.000 0.269 375 D C 1.300 177.697 176.300 0.162 0.000 1.249 375 D CA -0.301 53.682 54.000 -0.028 0.000 1.055 375 D CB 0.283 41.068 40.800 -0.025 0.000 1.104 375 D HN 0.499 nan 8.370 nan 0.000 0.561 376 A N -0.482 122.424 122.820 0.144 0.000 2.019 376 A HA -0.110 4.210 4.320 0.000 0.000 0.219 376 A C 1.954 179.606 177.584 0.113 0.000 1.164 376 A CA 2.083 54.203 52.037 0.138 0.000 0.644 376 A CB -0.971 18.078 19.000 0.080 0.000 0.805 376 A HN 0.607 nan 8.150 nan 0.000 0.449 377 S N -2.200 113.558 115.700 0.097 0.000 2.605 377 S HA 0.396 4.867 4.470 0.000 0.000 0.217 377 S C 1.343 175.998 174.600 0.092 0.000 0.958 377 S CA 0.975 59.219 58.200 0.073 0.000 0.919 377 S CB -0.242 62.986 63.200 0.048 0.000 0.780 377 S HN 1.873 nan 8.310 nan 0.000 0.507 378 G N 1.369 110.265 108.800 0.159 0.000 2.179 378 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 378 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 378 G C -0.052 174.934 174.900 0.142 0.000 0.977 378 G CA 0.321 45.513 45.100 0.152 0.000 0.641 378 G HN 0.755 nan 8.290 nan 0.000 0.533 379 K N 0.914 121.363 120.400 0.081 0.000 2.322 379 K HA 0.455 4.775 4.320 0.000 0.000 0.283 379 K C 0.800 177.363 176.600 -0.063 0.000 1.042 379 K CA -0.766 55.540 56.287 0.032 0.000 0.958 379 K CB 0.329 32.837 32.500 0.014 0.000 0.984 379 K HN 0.284 nan 8.250 nan 0.000 0.473 380 R N 1.930 122.348 120.500 -0.137 0.000 2.522 380 R HA 0.094 4.434 4.340 0.000 0.000 0.284 380 R C -0.744 175.347 176.300 -0.349 0.000 1.032 380 R CA -0.088 55.778 56.100 -0.391 0.000 1.049 380 R CB 0.678 30.735 30.300 -0.406 0.000 0.956 380 R HN 0.287 nan 8.270 nan 0.000 0.422 381 V N 4.967 124.616 119.914 -0.441 0.000 2.525 381 V HA 0.229 4.349 4.120 0.000 0.000 0.299 381 V C -0.945 174.975 176.094 -0.289 0.000 1.034 381 V CA -0.913 61.227 62.300 -0.267 0.000 0.863 381 V CB 1.192 32.913 31.823 -0.171 0.000 0.999 381 V HN 0.587 nan 8.190 nan 0.000 0.423 382 Y N 5.225 125.521 120.300 -0.007 0.000 2.309 382 Y HA 0.609 5.159 4.550 0.000 0.000 0.327 382 Y C 0.070 176.040 175.900 0.117 0.000 1.172 382 Y CA -0.096 58.011 58.100 0.011 0.000 1.280 382 Y CB 0.940 39.362 38.460 -0.064 0.000 1.234 382 Y HN 0.738 nan 8.280 nan 0.000 0.512 383 Y N -0.604 119.749 120.300 0.090 0.000 2.609 383 Y HA 0.714 5.264 4.550 0.000 0.000 0.336 383 Y C -2.108 173.848 175.900 0.094 0.000 1.129 383 Y CA -2.159 55.982 58.100 0.068 0.000 1.040 383 Y CB 0.668 39.139 38.460 0.018 0.000 1.310 383 Y HN 0.414 nan 8.280 nan 0.000 0.460 384 L N 2.693 123.961 121.223 0.074 0.000 2.312 384 L HA 0.714 5.054 4.340 0.000 0.000 0.281 384 L C 0.324 177.369 176.870 0.292 0.000 1.070 384 L CA -0.316 54.565 54.840 0.068 0.000 0.805 384 L CB 1.681 43.817 42.059 0.128 0.000 1.174 384 L HN 0.978 nan 8.230 nan 0.000 0.434 385 T N 2.367 117.047 114.554 0.210 0.000 2.716 385 T HA 0.821 5.171 4.350 0.000 0.000 0.286 385 T C -1.188 173.626 174.700 0.189 0.000 1.052 385 T CA -0.659 61.632 62.100 0.319 0.000 1.024 385 T CB 1.674 70.702 68.868 0.268 0.000 1.349 385 T HN 0.808 nan 8.240 nan 0.000 0.525 386 R N 0.357 120.914 120.500 0.096 0.000 2.741 386 R HA 0.474 4.814 4.340 0.000 0.000 0.274 386 R C -1.545 174.612 176.300 -0.238 0.000 1.029 386 R CA -0.995 55.053 56.100 -0.088 0.000 0.880 386 R CB 0.297 30.490 30.300 -0.178 0.000 1.264 386 R HN 0.497 nan 8.270 nan 0.000 0.465 387 D N 1.766 122.020 120.400 -0.242 0.000 2.434 387 D HA 0.053 4.693 4.640 0.000 0.000 0.252 387 D C -1.379 174.576 176.300 -0.575 0.000 1.185 387 D CA -1.301 52.505 54.000 -0.323 0.000 0.886 387 D CB 1.270 41.960 40.800 -0.184 0.000 1.148 387 D HN 0.333 nan 8.370 nan 0.000 0.483 388 P HA 0.005 nan 4.420 nan 0.000 0.249 388 P C 1.112 178.074 177.300 -0.565 0.000 1.229 388 P CA 0.138 62.539 63.100 -1.166 0.000 0.788 388 P CB 0.304 31.168 31.700 -1.393 0.000 1.072 389 T N -0.045 114.306 114.554 -0.339 0.000 2.607 389 T HA -0.145 4.205 4.350 0.000 0.000 0.267 389 T C 1.763 176.397 174.700 -0.111 0.000 1.049 389 T CA 2.471 64.472 62.100 -0.164 0.000 1.162 389 T CB -1.209 67.608 68.868 -0.086 0.000 0.863 389 T HN 0.198 nan 8.240 nan 0.000 0.424 390 T N 2.242 116.736 114.554 -0.099 0.000 2.708 390 T HA -0.047 4.303 4.350 0.000 0.000 0.266 390 T C -0.537 174.119 174.700 -0.072 0.000 1.037 390 T CA 1.182 63.252 62.100 -0.050 0.000 1.146 390 T CB -1.259 67.619 68.868 0.017 0.000 0.865 390 T HN 0.335 nan 8.240 nan 0.000 0.435 391 P HA -0.036 nan 4.420 nan 0.000 0.216 391 P C 1.478 178.799 177.300 0.035 0.000 1.153 391 P CA 1.007 64.093 63.100 -0.023 0.000 0.858 391 P CB -0.174 31.456 31.700 -0.116 0.000 0.789 392 L N -1.772 119.427 121.223 -0.041 0.000 2.179 392 L HA -0.060 4.280 4.340 0.000 0.000 0.208 392 L C 2.423 179.328 176.870 0.059 0.000 1.096 392 L CA 1.111 55.960 54.840 0.015 0.000 0.779 392 L CB -1.011 41.015 42.059 -0.054 0.000 0.922 392 L HN -0.048 nan 8.230 nan 0.000 0.443 393 A N 0.481 123.323 122.820 0.037 0.000 1.877 393 A HA -0.208 4.112 4.320 0.000 0.000 0.216 393 A C 2.380 180.034 177.584 0.116 0.000 1.186 393 A CA 1.498 53.578 52.037 0.072 0.000 0.620 393 A CB -0.414 18.600 19.000 0.024 0.000 0.822 393 A HN 0.295 nan 8.150 nan 0.000 0.443 394 R N -0.667 119.874 120.500 0.068 0.000 2.115 394 R HA 0.017 4.357 4.340 0.000 0.000 0.230 394 R C 2.422 178.876 176.300 0.256 0.000 1.111 394 R CA 1.011 57.170 56.100 0.099 0.000 0.976 394 R CB -0.387 29.911 30.300 -0.003 0.000 0.870 394 R HN 0.513 nan 8.270 nan 0.000 0.445 395 A N 1.110 124.104 122.820 0.290 0.000 1.933 395 A HA -0.113 4.207 4.320 0.000 0.000 0.218 395 A C 2.323 180.151 177.584 0.408 0.000 1.175 395 A CA 1.659 53.984 52.037 0.480 0.000 0.628 395 A CB -0.583 18.728 19.000 0.519 0.000 0.814 395 A HN 0.388 nan 8.150 nan 0.000 0.444 396 A N -1.523 121.442 122.820 0.241 0.000 1.933 396 A HA -0.170 4.150 4.320 0.000 0.000 0.218 396 A C 2.080 179.774 177.584 0.184 0.000 1.175 396 A CA 1.298 53.433 52.037 0.162 0.000 0.628 396 A CB -0.777 18.299 19.000 0.126 0.000 0.814 396 A HN 0.828 nan 8.150 nan 0.000 0.444 397 W N 0.949 122.295 121.300 0.078 0.000 2.381 397 W HA -0.108 4.552 4.660 0.000 0.000 0.301 397 W C 1.485 178.054 176.519 0.083 0.000 1.205 397 W CA 1.797 59.172 57.345 0.051 0.000 1.285 397 W CB -0.148 29.324 29.460 0.020 0.000 1.133 397 W HN 0.542 nan 8.180 nan 0.000 0.521 398 E N -0.946 119.505 120.200 0.418 0.000 2.435 398 E HA -0.088 4.262 4.350 0.000 0.000 0.195 398 E C 1.898 178.679 176.600 0.302 0.000 1.029 398 E CA 1.076 57.705 56.400 0.382 0.000 0.865 398 E CB -0.050 29.937 29.700 0.479 0.000 0.833 398 E HN 0.032 nan 8.360 nan 0.000 0.510 399 T N 0.357 115.061 114.554 0.250 0.000 2.904 399 T HA -0.067 4.283 4.350 0.000 0.000 0.267 399 T C 1.782 176.467 174.700 -0.024 0.000 1.059 399 T CA 1.226 63.393 62.100 0.112 0.000 1.137 399 T CB 0.081 69.031 68.868 0.136 0.000 0.879 399 T HN 0.219 nan 8.240 nan 0.000 0.467 400 A N 0.162 122.936 122.820 -0.077 0.000 2.229 400 A HA 0.333 4.653 4.320 0.000 0.000 0.211 400 A C 0.971 178.444 177.584 -0.184 0.000 1.193 400 A CA -0.019 51.921 52.037 -0.162 0.000 0.879 400 A CB 0.497 19.355 19.000 -0.236 0.000 0.911 400 A HN 0.101 nan 8.150 nan 0.000 0.492 401 R N 0.346 120.761 120.500 -0.142 0.000 2.575 401 R HA 0.365 4.705 4.340 0.000 0.000 0.293 401 R C -1.652 174.644 176.300 -0.007 0.000 0.983 401 R CA -0.525 55.532 56.100 -0.071 0.000 0.887 401 R CB 0.940 31.240 30.300 -0.000 0.000 1.184 401 R HN 0.482 nan 8.270 nan 0.000 0.445 402 H N 0.769 119.912 119.070 0.122 0.000 2.803 402 H HA 0.158 4.714 4.556 0.000 0.000 0.330 402 H C 0.589 175.995 175.328 0.130 0.000 1.057 402 H CA 0.718 56.844 56.048 0.129 0.000 1.458 402 H CB 0.833 30.646 29.762 0.085 0.000 1.470 402 H HN 0.534 nan 8.280 nan 0.000 0.560 403 T N 0.194 114.893 114.554 0.241 0.000 2.930 403 T HA 0.274 4.624 4.350 0.000 0.000 0.290 403 T C -1.708 173.047 174.700 0.092 0.000 1.052 403 T CA -2.040 60.151 62.100 0.152 0.000 1.017 403 T CB 1.653 70.603 68.868 0.136 0.000 1.137 403 T HN 0.266 nan 8.240 nan 0.000 0.511 404 P HA 0.149 nan 4.420 nan 0.000 0.219 404 P C -0.146 177.163 177.300 0.014 0.000 1.150 404 P CA 0.282 63.388 63.100 0.011 0.000 0.814 404 P CB 0.124 31.814 31.700 -0.017 0.000 0.787 405 V N 1.559 121.470 119.914 -0.006 0.000 2.448 405 V HA 0.209 4.329 4.120 0.000 0.000 0.295 405 V C -0.094 175.965 176.094 -0.059 0.000 1.025 405 V CA -0.803 61.473 62.300 -0.040 0.000 0.859 405 V CB 1.501 33.294 31.823 -0.051 0.000 0.988 405 V HN 0.020 nan 8.190 nan 0.000 0.431 406 N N 3.353 121.968 118.700 -0.143 0.000 2.719 406 N HA 0.041 4.781 4.740 0.000 0.000 0.243 406 N C 1.473 176.763 175.510 -0.366 0.000 1.104 406 N CA 0.245 53.132 53.050 -0.272 0.000 0.981 406 N CB 1.449 39.624 38.487 -0.521 0.000 1.290 406 N HN 0.840 nan 8.380 nan 0.000 0.513 407 S N 2.116 117.727 115.700 -0.149 0.000 2.387 407 S HA -0.168 4.302 4.470 0.000 0.000 0.230 407 S C 1.858 176.410 174.600 -0.081 0.000 1.035 407 S CA 0.606 58.756 58.200 -0.082 0.000 1.014 407 S CB -0.518 62.682 63.200 0.001 0.000 0.836 407 S HN 0.802 nan 8.310 nan 0.000 0.466 408 W N 1.183 122.398 121.300 -0.142 0.000 2.363 408 W HA -0.035 4.625 4.660 0.000 0.000 0.296 408 W C 1.747 178.171 176.519 -0.157 0.000 1.212 408 W CA 0.584 57.791 57.345 -0.229 0.000 1.260 408 W CB -0.948 28.015 29.460 -0.828 0.000 1.131 408 W HN 0.384 nan 8.180 nan 0.000 0.530 409 L N 2.796 123.403 121.223 -1.025 0.000 2.095 409 L HA 0.226 4.566 4.340 0.000 0.000 0.204 409 L C 2.647 179.317 176.870 -0.333 0.000 1.080 409 L CA 2.667 56.947 54.840 -0.932 0.000 0.759 409 L CB -1.369 39.873 42.059 -1.362 0.000 0.914 409 L HN 0.034 nan 8.230 nan 0.000 0.439 410 G N -0.572 108.065 108.800 -0.272 0.000 2.422 410 G HA2 -0.283 3.677 3.960 0.000 0.000 0.218 410 G HA3 -0.283 3.677 3.960 0.000 0.000 0.218 410 G C 1.469 176.378 174.900 0.015 0.000 1.146 410 G CA 0.717 45.744 45.100 -0.121 0.000 0.769 410 G HN 0.430 nan 8.290 nan 0.000 0.547 411 N N 0.554 119.320 118.700 0.109 0.000 2.142 411 N HA -0.011 4.729 4.740 0.000 0.000 0.186 411 N C 2.280 177.944 175.510 0.256 0.000 1.023 411 N CA 0.646 53.887 53.050 0.319 0.000 0.852 411 N CB -0.143 38.608 38.487 0.440 0.000 0.998 411 N HN 0.329 nan 8.380 nan 0.000 0.424 412 I N 1.205 121.886 120.570 0.186 0.000 2.127 412 I HA -0.258 3.912 4.170 0.000 0.000 0.241 412 I C 2.117 178.293 176.117 0.098 0.000 1.075 412 I CA 0.974 62.361 61.300 0.146 0.000 1.334 412 I CB -0.244 37.910 38.000 0.255 0.000 1.040 412 I HN 0.037 nan 8.210 nan 0.000 0.405 413 I N -0.001 120.631 120.570 0.103 0.000 2.151 413 I HA -0.336 3.834 4.170 0.000 0.000 0.243 413 I C 2.436 178.664 176.117 0.185 0.000 1.080 413 I CA 1.470 62.856 61.300 0.143 0.000 1.339 413 I CB -0.214 37.854 38.000 0.113 0.000 1.039 413 I HN 0.269 nan 8.210 nan 0.000 0.409 414 M N -1.276 118.352 119.600 0.047 0.000 2.435 414 M HA -0.035 4.445 4.480 0.000 0.000 0.265 414 M C 0.875 177.023 176.300 -0.254 0.000 1.104 414 M CA 1.392 56.627 55.300 -0.108 0.000 1.140 414 M CB -0.442 31.980 32.600 -0.297 0.000 1.372 414 M HN 0.184 nan 8.290 nan 0.000 0.456 415 Y N -0.606 119.707 120.300 0.021 0.000 2.720 415 Y HA 0.477 5.027 4.550 0.000 0.000 0.268 415 Y C 1.797 177.447 175.900 -0.416 0.000 1.142 415 Y CA -0.395 57.604 58.100 -0.168 0.000 1.193 415 Y CB -0.793 37.518 38.460 -0.248 0.000 1.176 415 Y HN 0.143 nan 8.280 nan 0.000 0.542 416 A N 0.926 123.537 122.820 -0.348 0.000 1.978 416 A HA -0.131 4.189 4.320 0.000 0.000 0.220 416 A C -0.471 176.816 177.584 -0.495 0.000 1.170 416 A CA 1.522 53.309 52.037 -0.418 0.000 0.636 416 A CB -1.288 17.472 19.000 -0.399 0.000 0.810 416 A HN 0.258 nan 8.150 nan 0.000 0.448 417 P HA 0.034 nan 4.420 nan 0.000 0.241 417 P C 0.626 177.625 177.300 -0.503 0.000 1.191 417 P CA 1.121 63.925 63.100 -0.493 0.000 0.771 417 P CB -0.395 31.048 31.700 -0.428 0.000 0.929 418 T N -2.682 111.588 114.554 -0.474 0.000 2.899 418 T HA 0.162 4.512 4.350 0.000 0.000 0.295 418 T C 1.108 175.360 174.700 -0.748 0.000 1.033 418 T CA -0.679 61.097 62.100 -0.539 0.000 1.084 418 T CB 0.692 69.124 68.868 -0.727 0.000 0.979 418 T HN -0.172 nan 8.240 nan 0.000 0.532 419 L N 1.930 122.603 121.223 -0.916 0.000 2.012 419 L HA 0.020 4.360 4.340 0.000 0.000 0.210 419 L C 2.387 178.921 176.870 -0.560 0.000 1.073 419 L CA 1.733 56.012 54.840 -0.936 0.000 0.748 419 L CB -0.831 40.628 42.059 -1.001 0.000 0.891 419 L HN 0.920 nan 8.230 nan 0.000 0.431 420 W N -1.034 120.049 121.300 -0.361 0.000 2.476 420 W HA 0.139 4.799 4.660 -0.000 0.000 0.281 420 W C 1.986 178.367 176.519 -0.231 0.000 1.230 420 W CA 0.657 57.828 57.345 -0.289 0.000 1.287 420 W CB -1.269 28.055 29.460 -0.228 0.000 1.108 420 W HN 0.304 nan 8.180 nan 0.000 0.567 421 A N 1.913 124.278 122.820 -0.758 0.000 1.930 421 A HA -0.108 4.212 4.320 0.000 0.000 0.217 421 A C 2.248 179.686 177.584 -0.243 0.000 1.175 421 A CA 1.557 53.308 52.037 -0.475 0.000 0.627 421 A CB -0.706 17.864 19.000 -0.717 0.000 0.815 421 A HN 0.278 nan 8.150 nan 0.000 0.443 422 R N -0.931 119.340 120.500 -0.382 0.000 2.062 422 R HA 0.015 4.355 4.340 0.000 0.000 0.231 422 R C 2.277 178.421 176.300 -0.260 0.000 1.136 422 R CA 1.771 57.662 56.100 -0.348 0.000 0.948 422 R CB -0.376 29.553 30.300 -0.617 0.000 0.845 422 R HN 0.493 nan 8.270 nan 0.000 0.430 423 M N -0.250 119.065 119.600 -0.475 0.000 2.200 423 M HA -0.043 4.437 4.480 0.000 0.000 0.265 423 M C 1.929 178.210 176.300 -0.031 0.000 1.066 423 M CA 1.523 56.639 55.300 -0.306 0.000 1.127 423 M CB 0.075 32.429 32.600 -0.410 0.000 1.379 423 M HN 0.147 nan 8.290 nan 0.000 0.420 424 I N -0.890 119.503 120.570 -0.295 0.000 3.196 424 I HA -0.095 4.075 4.170 0.000 0.000 0.248 424 I C 2.093 178.090 176.117 -0.199 0.000 1.105 424 I CA 0.238 61.103 61.300 -0.724 0.000 1.482 424 I CB -0.252 37.208 38.000 -0.900 0.000 1.400 424 I HN 0.114 nan 8.210 nan 0.000 0.464 425 L N 0.446 121.707 121.223 0.063 0.000 2.012 425 L HA -0.244 4.096 4.340 0.000 0.000 0.210 425 L C 2.713 179.884 176.870 0.502 0.000 1.073 425 L CA 1.767 56.828 54.840 0.369 0.000 0.748 425 L CB -0.475 41.823 42.059 0.398 0.000 0.891 425 L HN 0.312 nan 8.230 nan 0.000 0.431 426 M N -1.012 118.847 119.600 0.432 0.000 2.086 426 M HA -0.187 4.293 4.480 0.000 0.000 0.261 426 M C 2.315 179.122 176.300 0.845 0.000 1.067 426 M CA 2.116 57.785 55.300 0.615 0.000 1.116 426 M CB -0.719 32.052 32.600 0.286 0.000 1.348 426 M HN 0.257 nan 8.290 nan 0.000 0.407 427 T N -1.275 113.740 114.554 0.768 0.000 2.674 427 T HA -0.221 4.129 4.350 0.000 0.000 0.265 427 T C 1.678 176.673 174.700 0.492 0.000 1.039 427 T CA 1.915 64.434 62.100 0.698 0.000 1.150 427 T CB -0.573 68.748 68.868 0.754 0.000 0.864 427 T HN 0.447 nan 8.240 nan 0.000 0.427 428 H N 0.391 119.650 119.070 0.315 0.000 2.290 428 H HA -0.038 4.518 4.556 0.000 0.000 0.298 428 H C 1.732 176.930 175.328 -0.217 0.000 1.087 428 H CA 1.688 57.772 56.048 0.060 0.000 1.291 428 H CB -0.487 29.187 29.762 -0.147 0.000 1.369 428 H HN 0.372 nan 8.280 nan 0.000 0.492 429 F N -1.404 118.477 119.950 -0.116 0.000 2.416 429 F HA 0.038 4.565 4.527 0.000 0.000 0.296 429 F C 1.905 177.490 175.800 -0.359 0.000 1.099 429 F CA 0.317 57.995 58.000 -0.536 0.000 1.427 429 F CB -0.382 37.853 39.000 -1.274 0.000 1.079 429 F HN 0.126 nan 8.300 nan 0.000 0.536 430 F N -0.451 119.574 119.950 0.124 0.000 2.186 430 F HA -0.202 4.325 4.527 0.000 0.000 0.299 430 F C 2.746 178.561 175.800 0.025 0.000 1.090 430 F CA 1.526 59.616 58.000 0.150 0.000 1.307 430 F CB -0.916 38.272 39.000 0.314 0.000 1.019 430 F HN -0.098 nan 8.300 nan 0.000 0.489 431 S N 0.553 116.320 115.700 0.112 0.000 2.353 431 S HA -0.216 4.254 4.470 0.000 0.000 0.222 431 S C 2.150 176.698 174.600 -0.086 0.000 1.035 431 S CA 1.688 59.878 58.200 -0.016 0.000 1.025 431 S CB -0.523 62.644 63.200 -0.055 0.000 0.902 431 S HN 0.324 nan 8.310 nan 0.000 0.440 432 I N 1.236 121.684 120.570 -0.203 0.000 2.163 432 I HA -0.194 3.976 4.170 0.000 0.000 0.243 432 I C 2.244 178.312 176.117 -0.082 0.000 1.085 432 I CA 1.194 62.374 61.300 -0.199 0.000 1.347 432 I CB -0.357 37.446 38.000 -0.329 0.000 1.044 432 I HN 0.325 nan 8.210 nan 0.000 0.408 433 L N -0.039 121.145 121.223 -0.066 0.000 2.083 433 L HA -0.215 4.125 4.340 0.000 0.000 0.209 433 L C 2.541 179.430 176.870 0.033 0.000 1.083 433 L CA 1.219 56.053 54.840 -0.009 0.000 0.752 433 L CB -0.510 41.513 42.059 -0.060 0.000 0.899 433 L HN 0.278 nan 8.230 nan 0.000 0.433 434 L N -0.204 121.049 121.223 0.049 0.000 1.994 434 L HA -0.208 4.132 4.340 0.000 0.000 0.208 434 L C 2.886 179.770 176.870 0.023 0.000 1.071 434 L CA 1.366 56.239 54.840 0.055 0.000 0.745 434 L CB -0.638 41.455 42.059 0.056 0.000 0.892 434 L HN 0.233 nan 8.230 nan 0.000 0.431 435 A N -1.075 121.745 122.820 -0.000 0.000 1.972 435 A HA -0.199 4.121 4.320 0.000 0.000 0.219 435 A C 2.058 179.644 177.584 0.003 0.000 1.169 435 A CA 1.360 53.392 52.037 -0.009 0.000 0.635 435 A CB -0.255 18.727 19.000 -0.031 0.000 0.810 435 A HN 0.445 nan 8.150 nan 0.000 0.446 436 Q N -0.715 119.092 119.800 0.012 0.000 2.319 436 Q HA 0.088 4.428 4.340 0.000 0.000 0.202 436 Q C -0.547 175.475 176.000 0.036 0.000 0.896 436 Q CA 0.276 56.096 55.803 0.027 0.000 0.942 436 Q CB 0.061 28.825 28.738 0.042 0.000 1.083 436 Q HN 0.775 nan 8.270 nan 0.000 0.510 437 E N 0.742 120.964 120.200 0.037 0.000 2.228 437 E HA -0.251 4.099 4.350 0.000 0.000 0.213 437 E C -0.283 176.349 176.600 0.054 0.000 1.282 437 E CA 0.278 56.704 56.400 0.044 0.000 0.707 437 E CB -1.073 28.649 29.700 0.036 0.000 1.150 437 E HN 0.413 nan 8.360 nan 0.000 0.362 438 Q N -0.374 119.463 119.800 0.062 0.000 2.141 438 Q HA 0.225 4.565 4.340 0.000 0.000 0.248 438 Q C 1.533 177.581 176.000 0.080 0.000 0.834 438 Q CA -0.259 55.587 55.803 0.072 0.000 1.096 438 Q CB 0.527 29.316 28.738 0.084 0.000 1.189 438 Q HN 0.379 nan 8.270 nan 0.000 0.471 439 L N 0.154 121.428 121.223 0.086 0.000 2.083 439 L HA -0.181 4.159 4.340 0.000 0.000 0.209 439 L C 1.696 178.632 176.870 0.110 0.000 1.083 439 L CA 1.424 56.330 54.840 0.110 0.000 0.752 439 L CB -0.068 42.084 42.059 0.155 0.000 0.899 439 L HN 0.325 nan 8.230 nan 0.000 0.433 440 E N -0.211 120.044 120.200 0.092 0.000 2.435 440 E HA -0.069 4.281 4.350 0.000 0.000 0.195 440 E C 0.708 177.354 176.600 0.076 0.000 1.029 440 E CA -0.051 56.399 56.400 0.083 0.000 0.865 440 E CB 0.203 29.944 29.700 0.068 0.000 0.833 440 E HN 0.251 nan 8.360 nan 0.000 0.510 441 K N 1.987 122.434 120.400 0.079 0.000 2.383 441 K HA 0.200 4.520 4.320 0.000 0.000 0.286 441 K C -0.435 176.213 176.600 0.079 0.000 1.051 441 K CA -0.292 56.040 56.287 0.075 0.000 0.974 441 K CB 0.597 33.144 32.500 0.078 0.000 0.968 441 K HN -0.094 nan 8.250 nan 0.000 0.475 442 A N 5.184 128.046 122.820 0.070 0.000 2.498 442 A HA 0.268 4.588 4.320 0.000 0.000 0.239 442 A C -0.447 177.175 177.584 0.063 0.000 1.068 442 A CA -0.061 52.017 52.037 0.067 0.000 0.766 442 A CB 0.127 19.168 19.000 0.068 0.000 1.003 442 A HN 0.770 nan 8.150 nan 0.000 0.497 443 L N 1.914 123.161 121.223 0.040 0.000 2.381 443 L HA 0.371 4.711 4.340 0.000 0.000 0.268 443 L C -0.826 176.036 176.870 -0.013 0.000 0.997 443 L CA -1.013 53.835 54.840 0.014 0.000 0.818 443 L CB 2.107 44.146 42.059 -0.034 0.000 1.310 443 L HN 0.595 nan 8.230 nan 0.000 0.416 444 D N 1.579 121.981 120.400 0.004 0.000 2.304 444 D HA 0.453 5.093 4.640 0.000 0.000 0.250 444 D C -0.472 175.783 176.300 -0.075 0.000 1.107 444 D CA 0.068 54.072 54.000 0.006 0.000 0.885 444 D CB 1.486 42.326 40.800 0.066 0.000 1.192 444 D HN 0.606 nan 8.370 nan 0.000 0.436 445 C N 0.448 119.698 119.300 -0.084 0.000 3.288 445 C HA 0.573 5.034 4.460 0.000 0.000 0.318 445 C C -1.051 173.887 174.990 -0.086 0.000 1.356 445 C CA -0.934 58.007 59.018 -0.128 0.000 1.359 445 C CB 1.234 28.841 27.740 -0.222 0.000 1.688 445 C HN 0.512 nan 8.230 nan 0.000 0.467 446 Q N 1.012 120.760 119.800 -0.087 0.000 2.325 446 Q HA 0.700 5.040 4.340 0.000 0.000 0.262 446 Q C -1.124 174.830 176.000 -0.077 0.000 0.968 446 Q CA -0.164 55.610 55.803 -0.048 0.000 0.877 446 Q CB 1.855 30.576 28.738 -0.029 0.000 1.253 446 Q HN 0.702 nan 8.270 nan 0.000 0.448 447 I N 3.117 123.632 120.570 -0.092 0.000 2.382 447 I HA 0.167 4.337 4.170 0.000 0.000 0.286 447 I C -0.821 175.293 176.117 -0.005 0.000 1.002 447 I CA -0.742 60.421 61.300 -0.228 0.000 1.135 447 I CB 0.881 38.456 38.000 -0.708 0.000 1.288 447 I HN 0.642 nan 8.210 nan 0.000 0.448 448 Y N 5.132 125.461 120.300 0.048 0.000 3.721 448 Y HA -0.266 4.284 4.550 0.000 0.000 0.218 448 Y C 1.511 177.374 175.900 -0.062 0.000 1.188 448 Y CA 1.015 59.134 58.100 0.031 0.000 1.607 448 Y CB -2.045 36.450 38.460 0.059 0.000 1.496 448 Y HN 0.971 nan 8.280 nan 0.000 0.626 449 G N -2.244 106.631 108.800 0.125 0.000 2.225 449 G HA2 -0.011 3.949 3.960 0.000 0.000 0.254 449 G HA3 -0.011 3.949 3.960 0.000 0.000 0.254 449 G C 0.465 175.380 174.900 0.024 0.000 0.988 449 G CA 0.183 45.317 45.100 0.056 0.000 0.625 449 G HN 1.533 nan 8.290 nan 0.000 0.527 450 A N -0.617 122.218 122.820 0.026 0.000 2.302 450 A HA 0.666 4.986 4.320 0.000 0.000 0.285 450 A C 0.629 178.041 177.584 -0.285 0.000 1.105 450 A CA 0.424 52.318 52.037 -0.238 0.000 0.816 450 A CB 1.037 19.784 19.000 -0.421 0.000 1.067 450 A HN 1.519 nan 8.150 nan 0.000 0.489 451 C N 1.816 120.846 119.300 -0.450 0.000 2.350 451 C HA 0.768 5.228 4.460 0.000 0.000 0.348 451 C C -1.102 173.476 174.990 -0.688 0.000 1.260 451 C CA -0.491 58.335 59.018 -0.321 0.000 1.966 451 C CB -1.102 26.603 27.740 -0.058 0.000 2.380 451 C HN 0.649 nan 8.230 nan 0.000 0.535 452 Y N 3.060 123.142 120.300 -0.363 0.000 2.391 452 Y HA 0.400 4.950 4.550 -0.000 0.000 0.341 452 Y C 0.420 176.173 175.900 -0.245 0.000 0.965 452 Y CA -0.338 57.512 58.100 -0.417 0.000 1.067 452 Y CB 1.802 39.958 38.460 -0.508 0.000 1.199 452 Y HN 0.616 nan 8.280 nan 0.000 0.450 453 S N 4.377 120.031 115.700 -0.076 0.000 2.465 453 S HA 0.633 5.103 4.470 0.000 0.000 0.279 453 S C -0.761 173.879 174.600 0.067 0.000 1.201 453 S CA -0.213 58.009 58.200 0.037 0.000 1.053 453 S CB -0.408 62.846 63.200 0.089 0.000 0.953 453 S HN 0.536 nan 8.310 nan 0.000 0.488 454 I N 4.022 124.623 120.570 0.052 0.000 2.533 454 I HA 0.342 4.512 4.170 0.000 0.000 0.290 454 I C -0.228 175.926 176.117 0.061 0.000 1.056 454 I CA -0.587 60.758 61.300 0.075 0.000 1.057 454 I CB 2.220 40.252 38.000 0.055 0.000 1.240 454 I HN 0.559 nan 8.210 nan 0.000 0.423 455 E N 7.013 127.264 120.200 0.086 0.000 2.152 455 E HA 0.182 4.532 4.350 0.000 0.000 0.285 455 E C -1.797 174.872 176.600 0.114 0.000 1.043 455 E CA -1.574 54.881 56.400 0.090 0.000 0.839 455 E CB 1.236 30.989 29.700 0.089 0.000 1.069 455 E HN 0.319 nan 8.360 nan 0.000 0.399 456 P HA -0.168 nan 4.420 nan 0.000 0.219 456 P C 0.925 178.403 177.300 0.298 0.000 1.146 456 P CA 1.042 64.251 63.100 0.181 0.000 0.808 456 P CB 0.230 31.991 31.700 0.102 0.000 0.779 457 L N -0.929 120.436 121.223 0.237 0.000 2.291 457 L HA -0.094 4.246 4.340 0.000 0.000 0.214 457 L C 1.427 178.396 176.870 0.166 0.000 1.120 457 L CA 1.083 56.066 54.840 0.237 0.000 0.799 457 L CB -0.675 41.487 42.059 0.173 0.000 0.925 457 L HN -0.067 nan 8.230 nan 0.000 0.446 458 D N -0.154 120.328 120.400 0.138 0.000 2.349 458 D HA -0.024 4.616 4.640 0.000 0.000 0.224 458 D C 2.276 178.638 176.300 0.103 0.000 1.029 458 D CA 0.388 54.441 54.000 0.089 0.000 0.879 458 D CB 0.202 41.041 40.800 0.066 0.000 0.906 458 D HN 0.278 nan 8.370 nan 0.000 0.528 459 L N 0.932 122.263 121.223 0.180 0.000 2.021 459 L HA -0.189 4.151 4.340 0.000 0.000 0.215 459 L C -0.460 176.517 176.870 0.178 0.000 1.074 459 L CA 1.653 56.619 54.840 0.211 0.000 0.760 459 L CB -1.414 40.847 42.059 0.336 0.000 0.889 459 L HN 0.080 nan 8.230 nan 0.000 0.433 460 P HA -0.184 nan 4.420 nan 0.000 0.215 460 P C 1.349 178.694 177.300 0.076 0.000 1.153 460 P CA 1.226 64.354 63.100 0.047 0.000 0.853 460 P CB 0.049 31.589 31.700 -0.267 0.000 0.788 461 Q N -0.735 119.052 119.800 -0.022 0.000 2.084 461 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 461 Q C 2.182 178.172 176.000 -0.017 0.000 0.978 461 Q CA 1.308 57.086 55.803 -0.041 0.000 0.844 461 Q CB -0.979 27.717 28.738 -0.070 0.000 0.898 461 Q HN 0.251 nan 8.270 nan 0.000 0.426 462 I N 0.059 120.624 120.570 -0.008 0.000 2.179 462 I HA -0.284 3.886 4.170 0.000 0.000 0.242 462 I C 2.018 178.155 176.117 0.033 0.000 1.088 462 I CA 1.219 62.488 61.300 -0.051 0.000 1.357 462 I CB -0.271 37.730 38.000 0.001 0.000 1.051 462 I HN 0.185 nan 8.210 nan 0.000 0.409 463 I N 0.394 121.048 120.570 0.140 0.000 2.226 463 I HA -0.301 3.869 4.170 0.000 0.000 0.245 463 I C 2.623 178.773 176.117 0.056 0.000 1.100 463 I CA 1.438 62.836 61.300 0.163 0.000 1.374 463 I CB -0.432 37.653 38.000 0.140 0.000 1.057 463 I HN 0.293 nan 8.210 nan 0.000 0.413 464 E N 1.000 121.270 120.200 0.116 0.000 2.085 464 E HA -0.255 4.095 4.350 0.000 0.000 0.194 464 E C 2.370 178.969 176.600 -0.001 0.000 0.994 464 E CA 1.169 57.615 56.400 0.077 0.000 0.801 464 E CB 0.136 29.923 29.700 0.145 0.000 0.743 464 E HN 0.301 nan 8.360 nan 0.000 0.453 465 R N -0.004 120.479 120.500 -0.030 0.000 2.073 465 R HA -0.051 4.289 4.340 0.000 0.000 0.229 465 R C 2.448 178.683 176.300 -0.108 0.000 1.120 465 R CA 0.896 56.952 56.100 -0.073 0.000 0.967 465 R CB -0.425 29.803 30.300 -0.119 0.000 0.862 465 R HN 0.345 nan 8.270 nan 0.000 0.436 466 L N -0.811 120.320 121.223 -0.153 0.000 2.375 466 L HA 0.051 4.391 4.340 0.000 0.000 0.215 466 L C 1.606 178.155 176.870 -0.535 0.000 1.108 466 L CA 0.751 55.380 54.840 -0.351 0.000 0.830 466 L CB -0.225 41.594 42.059 -0.400 0.000 0.959 466 L HN 0.214 nan 8.230 nan 0.000 0.457 467 H N -0.496 118.502 119.070 -0.120 0.000 3.255 467 H HA 0.322 4.878 4.556 0.000 0.000 0.256 467 H C 0.932 176.179 175.328 -0.135 0.000 1.049 467 H CA 0.718 56.683 56.048 -0.138 0.000 1.202 467 H CB 1.297 30.946 29.762 -0.187 0.000 1.497 467 H HN 0.246 nan 8.280 nan 0.000 0.503 468 G N 1.121 109.906 108.800 -0.025 0.000 2.730 468 G HA2 -0.225 3.735 3.960 0.000 0.000 0.686 468 G HA3 -0.225 3.735 3.960 0.000 0.000 0.686 468 G C 0.604 175.460 174.900 -0.073 0.000 1.343 468 G CA -0.152 44.931 45.100 -0.028 0.000 0.826 468 G HN 0.201 nan 8.290 nan 0.000 0.582 469 L N 1.099 122.337 121.223 0.024 0.000 2.275 469 L HA -0.072 4.268 4.340 0.000 0.000 0.215 469 L C 3.198 180.101 176.870 0.054 0.000 1.119 469 L CA 2.073 56.996 54.840 0.139 0.000 0.790 469 L CB -0.429 41.772 42.059 0.237 0.000 0.919 469 L HN 0.948 nan 8.230 nan 0.000 0.443 470 S N 0.141 115.830 115.700 -0.019 0.000 2.419 470 S HA -0.212 4.258 4.470 0.000 0.000 0.235 470 S C 2.152 176.668 174.600 -0.140 0.000 1.019 470 S CA 0.865 59.038 58.200 -0.045 0.000 0.982 470 S CB -0.389 62.779 63.200 -0.055 0.000 0.789 470 S HN 0.372 nan 8.310 nan 0.000 0.490 471 A N 0.901 123.544 122.820 -0.295 0.000 2.032 471 A HA 0.052 4.372 4.320 0.000 0.000 0.221 471 A C 1.584 178.940 177.584 -0.380 0.000 1.165 471 A CA 1.365 53.133 52.037 -0.450 0.000 0.645 471 A CB -0.933 17.677 19.000 -0.649 0.000 0.807 471 A HN 0.638 nan 8.150 nan 0.000 0.453 472 F N -0.103 119.858 119.950 0.019 0.000 2.765 472 F HA 0.140 4.667 4.527 0.000 0.000 0.302 472 F C 1.738 177.581 175.800 0.072 0.000 1.111 472 F CA 0.620 58.658 58.000 0.063 0.000 1.359 472 F CB 0.074 39.151 39.000 0.128 0.000 1.097 472 F HN 0.254 nan 8.300 nan 0.000 0.577 473 S N -1.487 114.307 115.700 0.158 0.000 2.960 473 S HA 0.302 4.772 4.470 0.000 0.000 0.256 473 S C -0.040 174.619 174.600 0.098 0.000 1.017 473 S CA -0.389 57.899 58.200 0.146 0.000 1.144 473 S CB -0.648 62.635 63.200 0.138 0.000 1.109 473 S HN 0.062 nan 8.310 nan 0.000 0.638 474 L N 3.667 124.866 121.223 -0.039 0.000 2.455 474 L HA 0.417 4.757 4.340 0.000 0.000 0.272 474 L C 0.563 177.286 176.870 -0.245 0.000 1.174 474 L CA 0.030 54.723 54.840 -0.246 0.000 0.869 474 L CB 0.013 41.795 42.059 -0.461 0.000 1.130 474 L HN 0.611 nan 8.230 nan 0.000 0.474 475 H N -1.040 117.824 119.070 -0.343 0.000 2.931 475 H HA 0.477 5.033 4.556 0.000 0.000 0.331 475 H C -0.053 175.104 175.328 -0.285 0.000 1.273 475 H CA -0.988 54.908 56.048 -0.252 0.000 1.171 475 H CB 1.181 30.910 29.762 -0.056 0.000 1.898 475 H HN 0.408 nan 8.280 nan 0.000 0.562 476 S N -0.897 114.799 115.700 -0.006 0.000 3.628 476 S HA -0.239 4.231 4.470 0.000 0.000 0.373 476 S C -0.657 173.939 174.600 -0.007 0.000 0.968 476 S CA 0.400 58.626 58.200 0.042 0.000 1.215 476 S CB -2.673 60.538 63.200 0.020 0.000 0.912 476 S HN 0.530 nan 8.310 nan 0.000 0.495 477 Y N 2.095 122.430 120.300 0.059 0.000 2.550 477 Y HA 0.241 4.791 4.550 0.000 0.000 0.343 477 Y C 1.473 177.421 175.900 0.080 0.000 1.245 477 Y CA 0.460 58.596 58.100 0.059 0.000 1.462 477 Y CB 0.377 38.863 38.460 0.045 0.000 1.340 477 Y HN 0.543 nan 8.280 nan 0.000 0.604 478 S N 2.213 118.058 115.700 0.242 0.000 2.572 478 S HA 0.094 4.564 4.470 0.000 0.000 0.279 478 S C -1.951 172.731 174.600 0.136 0.000 1.341 478 S CA -1.115 57.175 58.200 0.150 0.000 1.043 478 S CB 1.140 64.405 63.200 0.108 0.000 0.887 478 S HN 0.455 nan 8.310 nan 0.000 0.516 479 P HA -0.044 nan 4.420 nan 0.000 0.216 479 P C 1.768 179.109 177.300 0.069 0.000 1.153 479 P CA 1.761 64.909 63.100 0.080 0.000 0.858 479 P CB -0.482 31.256 31.700 0.063 0.000 0.789 480 G N -0.184 108.653 108.800 0.061 0.000 2.446 480 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 480 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 480 G C 1.673 176.604 174.900 0.051 0.000 1.168 480 G CA 1.000 46.128 45.100 0.046 0.000 0.771 480 G HN 0.259 nan 8.290 nan 0.000 0.551 481 E N 0.830 121.077 120.200 0.079 0.000 2.031 481 E HA -0.082 4.268 4.350 0.000 0.000 0.193 481 E C 2.472 179.117 176.600 0.074 0.000 0.994 481 E CA 0.932 57.390 56.400 0.097 0.000 0.800 481 E CB -0.465 29.343 29.700 0.179 0.000 0.752 481 E HN 0.505 nan 8.360 nan 0.000 0.447 482 I N 0.862 121.482 120.570 0.083 0.000 2.208 482 I HA -0.308 3.862 4.170 0.000 0.000 0.245 482 I C 2.023 178.165 176.117 0.041 0.000 1.097 482 I CA 1.216 62.551 61.300 0.058 0.000 1.363 482 I CB -0.487 37.562 38.000 0.083 0.000 1.051 482 I HN 0.161 nan 8.210 nan 0.000 0.413 483 N N 0.687 119.412 118.700 0.041 0.000 2.166 483 N HA -0.187 4.553 4.740 0.000 0.000 0.186 483 N C 1.919 177.437 175.510 0.013 0.000 1.019 483 N CA 1.134 54.202 53.050 0.029 0.000 0.856 483 N CB -0.376 38.128 38.487 0.029 0.000 0.993 483 N HN 0.353 nan 8.380 nan 0.000 0.426 484 R N 0.780 121.284 120.500 0.006 0.000 2.075 484 R HA -0.027 4.313 4.340 0.000 0.000 0.232 484 R C 1.939 178.212 176.300 -0.045 0.000 1.126 484 R CA 0.925 57.012 56.100 -0.021 0.000 0.963 484 R CB -0.121 30.161 30.300 -0.029 0.000 0.858 484 R HN -0.045 nan 8.270 nan 0.000 0.435 485 V N 1.096 120.990 119.914 -0.032 0.000 2.295 485 V HA -0.233 3.887 4.120 0.000 0.000 0.246 485 V C 2.494 178.575 176.094 -0.023 0.000 1.049 485 V CA 1.926 64.197 62.300 -0.048 0.000 1.024 485 V CB -0.843 30.981 31.823 0.002 0.000 0.648 485 V HN 0.557 nan 8.190 nan 0.000 0.447 486 A N -0.471 122.352 122.820 0.006 0.000 1.892 486 A HA -0.311 4.009 4.320 0.000 0.000 0.218 486 A C 2.575 180.170 177.584 0.018 0.000 1.188 486 A CA 2.615 54.666 52.037 0.024 0.000 0.631 486 A CB -0.962 18.058 19.000 0.033 0.000 0.822 486 A HN 0.508 nan 8.150 nan 0.000 0.447 487 S N -1.481 114.223 115.700 0.006 0.000 2.368 487 S HA -0.206 4.264 4.470 0.000 0.000 0.225 487 S C 2.079 176.680 174.600 0.002 0.000 1.030 487 S CA 1.572 59.776 58.200 0.006 0.000 0.999 487 S CB -0.957 62.242 63.200 -0.002 0.000 0.844 487 S HN 0.789 nan 8.310 nan 0.000 0.459 488 C N 1.419 120.704 119.300 -0.025 0.000 2.429 488 C HA 0.055 4.515 4.460 0.000 0.000 0.277 488 C C 2.483 177.470 174.990 -0.006 0.000 1.262 488 C CA 0.901 59.896 59.018 -0.038 0.000 1.733 488 C CB -1.721 25.953 27.740 -0.111 0.000 2.010 488 C HN 0.688 nan 8.230 nan 0.000 0.483 489 L N 0.355 121.581 121.223 0.005 0.000 2.046 489 L HA -0.109 4.232 4.340 0.000 0.000 0.208 489 L C 3.039 179.935 176.870 0.044 0.000 1.077 489 L CA 1.633 56.494 54.840 0.035 0.000 0.747 489 L CB -0.870 41.230 42.059 0.067 0.000 0.896 489 L HN 0.345 nan 8.230 nan 0.000 0.432 490 R N 0.306 120.838 120.500 0.053 0.000 2.073 490 R HA -0.180 4.160 4.340 0.000 0.000 0.234 490 R C 2.400 178.782 176.300 0.136 0.000 1.134 490 R CA 1.383 57.531 56.100 0.080 0.000 0.952 490 R CB -0.291 30.048 30.300 0.065 0.000 0.850 490 R HN 0.292 nan 8.270 nan 0.000 0.433 491 K N 1.111 121.575 120.400 0.106 0.000 2.009 491 K HA -0.145 4.176 4.320 0.000 0.000 0.210 491 K C 1.968 178.719 176.600 0.252 0.000 1.049 491 K CA 1.413 57.780 56.287 0.134 0.000 0.929 491 K CB -0.069 32.474 32.500 0.072 0.000 0.714 491 K HN 0.154 nan 8.250 nan 0.000 0.440 492 L N -0.392 120.922 121.223 0.151 0.000 2.418 492 L HA 0.069 4.409 4.340 0.000 0.000 0.218 492 L C 0.961 177.770 176.870 -0.103 0.000 1.125 492 L CA 0.561 55.471 54.840 0.116 0.000 0.835 492 L CB -0.097 41.995 42.059 0.054 0.000 0.953 492 L HN 0.616 nan 8.230 nan 0.000 0.454 493 G N 1.045 109.707 108.800 -0.231 0.000 2.289 493 G HA2 -0.217 3.743 3.960 0.000 0.000 0.280 493 G HA3 -0.217 3.743 3.960 0.000 0.000 0.280 493 G C -0.101 174.660 174.900 -0.231 0.000 1.089 493 G CA -0.010 44.752 45.100 -0.563 0.000 0.939 493 G HN 0.085 nan 8.290 nan 0.000 0.499 494 V N 0.728 120.615 119.914 -0.044 0.000 2.567 494 V HA 0.424 4.544 4.120 0.000 0.000 0.289 494 V C -1.141 175.039 176.094 0.145 0.000 1.049 494 V CA -1.573 60.790 62.300 0.104 0.000 0.969 494 V CB 1.481 33.400 31.823 0.160 0.000 0.995 494 V HN 0.224 nan 8.190 nan 0.000 0.471 495 P HA 0.085 nan 4.420 nan 0.000 0.266 495 P C -2.433 174.985 177.300 0.196 0.000 1.193 495 P CA -0.599 62.526 63.100 0.042 0.000 0.770 495 P CB -0.248 31.289 31.700 -0.271 0.000 0.836 496 P HA 0.025 nan 4.420 nan 0.000 0.271 496 P C 0.795 178.263 177.300 0.280 0.000 1.233 496 P CA 0.096 63.294 63.100 0.163 0.000 0.789 496 P CB 0.676 32.426 31.700 0.083 0.000 0.951 497 L N 0.815 122.217 121.223 0.299 0.000 2.265 497 L HA -0.167 4.173 4.340 0.000 0.000 0.215 497 L C 2.800 179.858 176.870 0.315 0.000 1.117 497 L CA 1.341 56.402 54.840 0.368 0.000 0.782 497 L CB -0.730 41.458 42.059 0.214 0.000 0.914 497 L HN 0.448 nan 8.230 nan 0.000 0.441 498 R N -0.602 120.018 120.500 0.200 0.000 2.096 498 R HA -0.099 4.241 4.340 0.000 0.000 0.235 498 R C 1.951 178.333 176.300 0.137 0.000 1.127 498 R CA 1.319 57.515 56.100 0.160 0.000 0.968 498 R CB -1.012 29.344 30.300 0.093 0.000 0.861 498 R HN 0.121 nan 8.270 nan 0.000 0.440 499 V N 0.567 120.510 119.914 0.048 0.000 2.307 499 V HA -0.173 3.947 4.120 0.000 0.000 0.245 499 V C 2.007 178.067 176.094 -0.057 0.000 1.045 499 V CA 1.735 63.980 62.300 -0.092 0.000 1.024 499 V CB -0.701 30.944 31.823 -0.296 0.000 0.651 499 V HN 0.374 nan 8.190 nan 0.000 0.449 500 W N 0.254 121.664 121.300 0.184 0.000 2.338 500 W HA -0.167 4.493 4.660 0.000 0.000 0.304 500 W C 2.752 179.487 176.519 0.360 0.000 1.212 500 W CA 1.651 59.147 57.345 0.251 0.000 1.264 500 W CB -0.338 29.262 29.460 0.233 0.000 1.142 500 W HN 0.059 nan 8.180 nan 0.000 0.512 501 R N -0.255 120.588 120.500 0.573 0.000 2.091 501 R HA -0.244 4.097 4.340 0.000 0.000 0.238 501 R C 2.094 178.522 176.300 0.213 0.000 1.136 501 R CA 2.170 58.556 56.100 0.476 0.000 0.959 501 R CB -0.709 29.849 30.300 0.430 0.000 0.856 501 R HN 0.267 nan 8.270 nan 0.000 0.437 502 H N 0.290 119.418 119.070 0.096 0.000 2.290 502 H HA -0.068 4.488 4.556 0.000 0.000 0.298 502 H C 2.035 177.348 175.328 -0.025 0.000 1.087 502 H CA 2.389 58.441 56.048 0.006 0.000 1.291 502 H CB 0.069 29.816 29.762 -0.024 0.000 1.369 502 H HN 0.155 nan 8.280 nan 0.000 0.492 503 R N -0.082 120.421 120.500 0.005 0.000 2.096 503 R HA -0.064 4.276 4.340 0.000 0.000 0.235 503 R C 2.582 178.820 176.300 -0.103 0.000 1.127 503 R CA 0.997 57.059 56.100 -0.064 0.000 0.968 503 R CB -0.310 30.003 30.300 0.022 0.000 0.861 503 R HN 0.399 nan 8.270 nan 0.000 0.440 504 A N 1.413 124.220 122.820 -0.021 0.000 1.902 504 A HA -0.181 4.140 4.320 0.000 0.000 0.217 504 A C 2.079 179.407 177.584 -0.426 0.000 1.181 504 A CA 1.273 53.185 52.037 -0.209 0.000 0.623 504 A CB -0.341 18.596 19.000 -0.104 0.000 0.818 504 A HN 0.214 nan 8.150 nan 0.000 0.443 505 R N -0.504 119.795 120.500 -0.334 0.000 2.091 505 R HA -0.133 4.207 4.340 0.000 0.000 0.238 505 R C 2.664 178.778 176.300 -0.310 0.000 1.136 505 R CA 1.623 57.533 56.100 -0.317 0.000 0.959 505 R CB -0.490 29.655 30.300 -0.259 0.000 0.856 505 R HN 0.566 nan 8.270 nan 0.000 0.437 506 S N 0.175 115.684 115.700 -0.318 0.000 2.348 506 S HA -0.112 4.358 4.470 0.000 0.000 0.221 506 S C 2.052 176.499 174.600 -0.255 0.000 1.033 506 S CA 1.399 59.442 58.200 -0.261 0.000 1.010 506 S CB -0.201 62.852 63.200 -0.244 0.000 0.891 506 S HN 0.133 nan 8.310 nan 0.000 0.442 507 V N 2.695 122.417 119.914 -0.320 0.000 2.332 507 V HA -0.160 3.960 4.120 0.000 0.000 0.248 507 V C 2.758 178.575 176.094 -0.461 0.000 1.055 507 V CA 2.293 64.369 62.300 -0.373 0.000 1.038 507 V CB -0.871 30.673 31.823 -0.466 0.000 0.651 507 V HN 0.520 nan 8.190 nan 0.000 0.450 508 R N 0.296 120.431 120.500 -0.608 0.000 2.083 508 R HA -0.201 4.139 4.340 0.000 0.000 0.237 508 R C 2.303 178.473 176.300 -0.217 0.000 1.137 508 R CA 1.921 57.775 56.100 -0.410 0.000 0.951 508 R CB -0.506 29.583 30.300 -0.351 0.000 0.851 508 R HN 0.472 nan 8.270 nan 0.000 0.434 509 A N 1.107 123.805 122.820 -0.203 0.000 1.902 509 A HA -0.170 4.150 4.320 0.000 0.000 0.217 509 A C 2.218 179.740 177.584 -0.103 0.000 1.181 509 A CA 1.542 53.498 52.037 -0.136 0.000 0.623 509 A CB -0.443 18.477 19.000 -0.133 0.000 0.818 509 A HN 0.405 nan 8.150 nan 0.000 0.443 510 R N -0.580 119.853 120.500 -0.112 0.000 2.073 510 R HA -0.047 4.293 4.340 0.000 0.000 0.234 510 R C 2.094 178.370 176.300 -0.040 0.000 1.134 510 R CA 1.511 57.569 56.100 -0.069 0.000 0.952 510 R CB -0.572 29.687 30.300 -0.068 0.000 0.850 510 R HN 0.495 nan 8.270 nan 0.000 0.433 511 L N 0.596 121.789 121.223 -0.049 0.000 2.012 511 L HA -0.218 4.122 4.340 0.000 0.000 0.210 511 L C 2.405 179.274 176.870 -0.001 0.000 1.073 511 L CA 1.316 56.156 54.840 0.000 0.000 0.748 511 L CB -0.452 41.607 42.059 -0.000 0.000 0.891 511 L HN 0.204 nan 8.230 nan 0.000 0.431 512 L N -1.175 120.030 121.223 -0.029 0.000 2.042 512 L HA -0.234 4.106 4.340 0.000 0.000 0.210 512 L C 2.723 179.584 176.870 -0.017 0.000 1.076 512 L CA 1.069 55.895 54.840 -0.024 0.000 0.749 512 L CB -0.562 41.470 42.059 -0.045 0.000 0.893 512 L HN 0.178 nan 8.230 nan 0.000 0.432 513 S N -0.663 115.023 115.700 -0.023 0.000 2.407 513 S HA -0.274 4.196 4.470 0.000 0.000 0.235 513 S C 1.794 176.392 174.600 -0.003 0.000 1.036 513 S CA 1.440 59.630 58.200 -0.017 0.000 1.013 513 S CB -0.203 62.984 63.200 -0.021 0.000 0.820 513 S HN 0.505 nan 8.310 nan 0.000 0.476 514 Q N -0.133 119.672 119.800 0.008 0.000 2.360 514 Q HA 0.297 4.637 4.340 0.000 0.000 0.202 514 Q C 1.147 177.162 176.000 0.024 0.000 0.915 514 Q CA 0.173 55.987 55.803 0.020 0.000 0.943 514 Q CB 0.379 29.137 28.738 0.034 0.000 1.064 514 Q HN 0.534 nan 8.270 nan 0.000 0.511 515 G N 0.556 109.368 108.800 0.019 0.000 2.740 515 G HA2 -0.176 3.784 3.960 0.000 0.000 0.250 515 G HA3 -0.176 3.784 3.960 0.000 0.000 0.250 515 G C 0.476 175.395 174.900 0.032 0.000 1.358 515 G CA -0.259 44.854 45.100 0.021 0.000 0.897 515 G HN 0.691 nan 8.290 nan 0.000 0.567 516 G N -0.955 107.863 108.800 0.030 0.000 2.581 516 G HA2 -0.254 3.706 3.960 0.000 0.000 0.291 516 G HA3 -0.254 3.706 3.960 0.000 0.000 0.291 516 G C 1.213 176.140 174.900 0.045 0.000 1.277 516 G CA 1.374 46.495 45.100 0.035 0.000 0.959 516 G HN 1.435 nan 8.290 nan 0.000 0.554 517 R N 0.075 120.605 120.500 0.051 0.000 2.105 517 R HA -0.068 4.272 4.340 0.000 0.000 0.239 517 R C 3.231 179.584 176.300 0.087 0.000 1.135 517 R CA 2.096 58.233 56.100 0.062 0.000 0.967 517 R CB -0.712 29.630 30.300 0.070 0.000 0.861 517 R HN 0.738 nan 8.270 nan 0.000 0.442 518 A N 1.360 124.240 122.820 0.100 0.000 1.917 518 A HA -0.190 4.130 4.320 0.000 0.000 0.219 518 A C 2.400 180.032 177.584 0.081 0.000 1.182 518 A CA 1.933 54.041 52.037 0.119 0.000 0.633 518 A CB -0.644 18.423 19.000 0.111 0.000 0.819 518 A HN 0.424 nan 8.150 nan 0.000 0.448 519 A N -1.147 121.707 122.820 0.057 0.000 1.930 519 A HA -0.051 4.269 4.320 0.000 0.000 0.217 519 A C 2.292 179.908 177.584 0.052 0.000 1.175 519 A CA 2.221 54.281 52.037 0.038 0.000 0.627 519 A CB -1.271 17.744 19.000 0.026 0.000 0.815 519 A HN 0.455 nan 8.150 nan 0.000 0.443 520 T N -0.527 114.070 114.554 0.071 0.000 2.684 520 T HA -0.230 4.120 4.350 0.000 0.000 0.267 520 T C 1.914 176.680 174.700 0.111 0.000 1.036 520 T CA 1.632 63.801 62.100 0.115 0.000 1.148 520 T CB -0.825 68.070 68.868 0.045 0.000 0.863 520 T HN 0.567 nan 8.240 nan 0.000 0.436 521 C N 1.368 120.699 119.300 0.052 0.000 2.413 521 C HA -0.022 4.438 4.460 0.000 0.000 0.277 521 C C 3.155 178.155 174.990 0.016 0.000 1.228 521 C CA 0.665 59.674 59.018 -0.014 0.000 1.731 521 C CB -1.598 26.128 27.740 -0.023 0.000 2.042 521 C HN 0.757 nan 8.230 nan 0.000 0.468 522 G N -0.061 108.777 108.800 0.064 0.000 2.440 522 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 522 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 522 G C 1.616 176.551 174.900 0.059 0.000 1.154 522 G CA 1.302 46.464 45.100 0.103 0.000 0.767 522 G HN 0.659 nan 8.290 nan 0.000 0.552 523 K N -0.809 119.587 120.400 -0.006 0.000 1.985 523 K HA -0.109 4.211 4.320 0.000 0.000 0.210 523 K C 2.256 178.700 176.600 -0.260 0.000 1.047 523 K CA 1.449 57.657 56.287 -0.131 0.000 0.932 523 K CB -0.304 32.111 32.500 -0.142 0.000 0.716 523 K HN 0.436 nan 8.250 nan 0.000 0.439 524 Y N 0.517 120.655 120.300 -0.270 0.000 2.231 524 Y HA -0.010 4.540 4.550 0.000 0.000 0.294 524 Y C 2.015 177.678 175.900 -0.394 0.000 1.120 524 Y CA 0.839 58.613 58.100 -0.543 0.000 1.141 524 Y CB 0.047 37.897 38.460 -1.016 0.000 1.022 524 Y HN -0.033 nan 8.280 nan 0.000 0.523 525 L N -1.789 119.325 121.223 -0.182 0.000 2.291 525 L HA -0.103 4.237 4.340 0.000 0.000 0.214 525 L C 0.609 177.241 176.870 -0.397 0.000 1.120 525 L CA 1.156 55.826 54.840 -0.283 0.000 0.799 525 L CB -0.264 41.397 42.059 -0.664 0.000 0.925 525 L HN 0.196 nan 8.230 nan 0.000 0.446 526 F N -1.778 118.149 119.950 -0.038 0.000 2.724 526 F HA 0.188 4.715 4.527 0.000 0.000 0.310 526 F C 1.623 177.144 175.800 -0.464 0.000 1.107 526 F CA -0.436 57.340 58.000 -0.373 0.000 1.218 526 F CB -0.415 38.355 39.000 -0.384 0.000 1.042 526 F HN -0.095 nan 8.300 nan 0.000 0.540 527 N N 1.167 119.823 118.700 -0.072 0.000 2.348 527 N HA -0.206 4.534 4.740 0.000 0.000 0.185 527 N C 1.951 177.460 175.510 -0.001 0.000 1.019 527 N CA 1.707 54.720 53.050 -0.062 0.000 0.880 527 N CB -0.202 38.258 38.487 -0.045 0.000 0.965 527 N HN 0.544 nan 8.380 nan 0.000 0.437 528 W N -0.598 120.750 121.300 0.080 0.000 2.465 528 W HA 0.143 4.803 4.660 0.000 0.000 0.268 528 W C 1.271 177.853 176.519 0.106 0.000 1.242 528 W CA 0.639 58.039 57.345 0.093 0.000 1.248 528 W CB -0.827 28.700 29.460 0.112 0.000 1.118 528 W HN 0.049 nan 8.180 nan 0.000 0.587 529 A N 1.443 123.909 122.820 -0.589 0.000 2.169 529 A HA 0.217 4.537 4.320 0.000 0.000 0.212 529 A C 1.010 178.465 177.584 -0.214 0.000 1.153 529 A CA 1.196 52.867 52.037 -0.611 0.000 0.756 529 A CB -0.772 17.654 19.000 -0.957 0.000 0.813 529 A HN 0.155 nan 8.150 nan 0.000 0.471 530 V N -4.519 115.311 119.914 -0.140 0.000 2.960 530 V HA 0.530 4.650 4.120 0.000 0.000 0.315 530 V C 0.520 176.596 176.094 -0.029 0.000 1.087 530 V CA -0.833 61.418 62.300 -0.082 0.000 0.982 530 V CB 1.755 33.517 31.823 -0.102 0.000 1.039 530 V HN 0.187 nan 8.190 nan 0.000 0.437 531 K N 0.208 120.594 120.400 -0.023 0.000 2.168 531 K HA 0.089 4.409 4.320 0.000 0.000 0.201 531 K C 1.182 177.767 176.600 -0.025 0.000 1.049 531 K CA 1.111 57.390 56.287 -0.013 0.000 0.974 531 K CB 0.121 32.617 32.500 -0.007 0.000 0.792 531 K HN 0.831 nan 8.250 nan 0.000 0.463 532 T N 3.088 117.622 114.554 -0.033 0.000 3.474 532 T HA 0.048 4.398 4.350 0.000 0.000 0.270 532 T C -0.277 174.394 174.700 -0.047 0.000 1.079 532 T CA -0.509 61.569 62.100 -0.038 0.000 1.110 532 T CB -0.220 68.626 68.868 -0.037 0.000 1.087 532 T HN -0.096 nan 8.240 nan 0.000 0.784 533 K N 3.744 124.117 120.400 -0.044 0.000 2.319 533 K HA 0.267 4.587 4.320 0.000 0.000 0.265 533 K C 0.525 177.083 176.600 -0.069 0.000 1.000 533 K CA -0.279 55.976 56.287 -0.054 0.000 0.943 533 K CB 0.919 33.395 32.500 -0.039 0.000 0.950 533 K HN 0.550 nan 8.250 nan 0.000 0.485 534 L N 1.311 122.476 121.223 -0.097 0.000 2.416 534 L HA 0.255 4.595 4.340 0.000 0.000 0.262 534 L C 0.432 177.225 176.870 -0.128 0.000 1.093 534 L CA -0.991 53.778 54.840 -0.117 0.000 0.801 534 L CB 0.468 42.433 42.059 -0.157 0.000 1.191 534 L HN 0.393 nan 8.230 nan 0.000 0.459 535 K N 1.856 122.185 120.400 -0.117 0.000 2.285 535 K HA 0.357 4.677 4.320 0.000 0.000 0.286 535 K C -0.993 175.517 176.600 -0.149 0.000 1.072 535 K CA 0.077 56.307 56.287 -0.095 0.000 0.913 535 K CB 0.187 32.657 32.500 -0.050 0.000 1.067 535 K HN 0.380 nan 8.250 nan 0.000 0.479 536 L N 5.643 126.782 121.223 -0.140 0.000 2.288 536 L HA 0.288 4.628 4.340 0.000 0.000 0.283 536 L C 0.328 177.253 176.870 0.093 0.000 1.072 536 L CA -0.752 53.981 54.840 -0.178 0.000 0.862 536 L CB 0.503 42.440 42.059 -0.203 0.000 1.245 536 L HN 0.747 nan 8.230 nan 0.000 0.432 537 T N 0.256 114.907 114.554 0.162 0.000 2.927 537 T HA 0.501 4.851 4.350 0.000 0.000 0.281 537 T C -2.530 172.299 174.700 0.216 0.000 0.998 537 T CA -2.285 59.913 62.100 0.163 0.000 1.019 537 T CB 1.245 70.177 68.868 0.108 0.000 1.061 537 T HN 0.141 nan 8.240 nan 0.000 0.518 538 P HA 0.185 nan 4.420 nan 0.000 0.261 538 P C -0.511 176.812 177.300 0.039 0.000 1.183 538 P CA 0.000 63.152 63.100 0.086 0.000 0.761 538 P CB -0.006 31.728 31.700 0.056 0.000 0.785 539 I N 6.826 127.373 120.570 -0.037 0.000 2.396 539 I HA 0.085 4.255 4.170 0.000 0.000 0.289 539 I C -1.140 174.942 176.117 -0.059 0.000 1.056 539 I CA -1.672 59.562 61.300 -0.109 0.000 1.365 539 I CB 0.912 38.747 38.000 -0.275 0.000 1.407 539 I HN 0.335 nan 8.210 nan 0.000 0.509 540 P HA -0.229 nan 4.420 nan 0.000 0.216 540 P C 1.424 178.703 177.300 -0.035 0.000 1.153 540 P CA 1.234 64.319 63.100 -0.025 0.000 0.858 540 P CB 0.207 31.899 31.700 -0.014 0.000 0.789 541 A N -0.237 122.555 122.820 -0.047 0.000 2.019 541 A HA -0.086 4.234 4.320 0.000 0.000 0.219 541 A C 2.283 179.832 177.584 -0.059 0.000 1.164 541 A CA 1.819 53.827 52.037 -0.048 0.000 0.644 541 A CB -1.457 17.514 19.000 -0.048 0.000 0.805 541 A HN 0.205 nan 8.150 nan 0.000 0.449 542 A N 0.664 123.444 122.820 -0.067 0.000 1.883 542 A HA -0.146 4.174 4.320 0.000 0.000 0.217 542 A C 2.519 180.063 177.584 -0.067 0.000 1.186 542 A CA 2.417 54.412 52.037 -0.071 0.000 0.624 542 A CB -1.124 17.841 19.000 -0.058 0.000 0.822 542 A HN 1.028 nan 8.150 nan 0.000 0.444 543 S N -0.817 114.854 115.700 -0.048 0.000 2.383 543 S HA -0.267 4.203 4.470 0.000 0.000 0.229 543 S C 1.843 176.415 174.600 -0.046 0.000 1.030 543 S CA 1.661 59.836 58.200 -0.041 0.000 1.002 543 S CB -0.380 62.804 63.200 -0.026 0.000 0.829 543 S HN 0.672 nan 8.310 nan 0.000 0.467 544 Q N -0.137 119.635 119.800 -0.048 0.000 2.319 544 Q HA 0.396 4.736 4.340 0.000 0.000 0.202 544 Q C 0.088 176.051 176.000 -0.062 0.000 0.896 544 Q CA -0.301 55.475 55.803 -0.046 0.000 0.942 544 Q CB 0.116 28.834 28.738 -0.033 0.000 1.083 544 Q HN 0.548 nan 8.270 nan 0.000 0.510 545 L N 1.952 123.123 121.223 -0.086 0.000 2.513 545 L HA 0.004 4.344 4.340 0.000 0.000 0.272 545 L C -0.265 176.517 176.870 -0.146 0.000 1.187 545 L CA 0.001 54.767 54.840 -0.122 0.000 0.895 545 L CB 0.499 42.457 42.059 -0.168 0.000 1.147 545 L HN 0.073 nan 8.230 nan 0.000 0.483 546 D N 5.616 125.939 120.400 -0.129 0.000 2.422 546 D HA 0.152 4.792 4.640 0.000 0.000 0.227 546 D C 0.450 176.625 176.300 -0.208 0.000 1.190 546 D CA 0.073 54.002 54.000 -0.118 0.000 0.905 546 D CB 0.709 41.476 40.800 -0.054 0.000 1.034 546 D HN 0.441 nan 8.370 nan 0.000 0.507 547 L N 2.401 123.450 121.223 -0.290 0.000 2.857 547 L HA 0.096 4.436 4.340 0.000 0.000 0.249 547 L C 0.819 177.581 176.870 -0.180 0.000 1.172 547 L CA -0.267 54.250 54.840 -0.538 0.000 0.980 547 L CB 0.147 41.778 42.059 -0.713 0.000 1.299 547 L HN 0.246 nan 8.230 nan 0.000 0.535 548 S N 0.038 115.706 115.700 -0.054 0.000 2.498 548 S HA 0.398 4.868 4.470 0.000 0.000 0.281 548 S C 1.208 175.853 174.600 0.074 0.000 1.265 548 S CA 0.437 58.650 58.200 0.021 0.000 1.071 548 S CB 1.115 64.316 63.200 0.002 0.000 0.894 548 S HN 0.562 nan 8.310 nan 0.000 0.491 549 G N 3.031 111.895 108.800 0.105 0.000 2.238 549 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 549 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 549 G C 0.496 175.536 174.900 0.235 0.000 0.996 549 G CA 0.106 45.258 45.100 0.086 0.000 0.632 549 G HN 0.654 nan 8.290 nan 0.000 0.503 550 W N 0.491 121.685 121.300 -0.177 0.000 2.378 550 W HA 0.425 5.085 4.660 -0.000 0.000 0.313 550 W C 1.222 177.330 176.519 -0.686 0.000 1.197 550 W CA 1.495 58.474 57.345 -0.611 0.000 1.304 550 W CB -0.349 28.468 29.460 -1.072 0.000 1.148 550 W HN 0.188 nan 8.180 nan 0.000 0.494 551 F N -0.687 119.458 119.950 0.324 0.000 2.530 551 F HA 0.319 4.846 4.527 -0.000 0.000 0.318 551 F C 0.538 176.477 175.800 0.230 0.000 1.356 551 F CA -0.570 57.610 58.000 0.299 0.000 1.135 551 F CB -0.293 38.843 39.000 0.227 0.000 1.315 551 F HN -0.378 nan 8.300 nan 0.000 0.549 552 V N -0.108 120.015 119.914 0.347 0.000 2.840 552 V HA 0.605 4.725 4.120 0.000 0.000 0.234 552 V C 0.957 177.208 176.094 0.261 0.000 1.159 552 V CA 0.680 63.132 62.300 0.253 0.000 1.194 552 V CB 0.296 32.247 31.823 0.213 0.000 0.971 552 V HN 0.395 nan 8.190 nan 0.000 0.494 553 A N -0.714 122.228 122.820 0.204 0.000 2.593 553 A HA 0.804 5.124 4.320 0.000 0.000 0.290 553 A C -0.249 177.055 177.584 -0.466 0.000 1.126 553 A CA 0.063 52.077 52.037 -0.038 0.000 0.695 553 A CB 1.140 19.947 19.000 -0.321 0.000 1.290 553 A HN 0.427 nan 8.150 nan 0.000 0.414 554 G N -1.467 106.753 108.800 -0.968 0.000 2.389 554 G HA2 0.545 4.505 3.960 0.000 0.000 0.317 554 G HA3 0.545 4.505 3.960 0.000 0.000 0.317 554 G C -0.976 173.281 174.900 -1.072 0.000 1.137 554 G CA -0.098 44.110 45.100 -1.487 0.000 0.870 554 G HN 0.587 nan 8.290 nan 0.000 0.496 555 Y N 0.707 120.799 120.300 -0.347 0.000 2.742 555 Y HA 0.298 4.848 4.550 0.000 0.000 0.248 555 Y C 1.279 177.099 175.900 -0.132 0.000 1.132 555 Y CA -0.776 57.216 58.100 -0.180 0.000 1.142 555 Y CB 0.506 38.886 38.460 -0.134 0.000 1.222 555 Y HN 0.517 nan 8.280 nan 0.000 0.575 556 S N 0.752 116.420 115.700 -0.053 0.000 2.575 556 S HA 0.289 4.760 4.470 0.000 0.000 0.295 556 S C 1.522 176.141 174.600 0.032 0.000 1.267 556 S CA 1.497 59.698 58.200 0.002 0.000 1.074 556 S CB 0.103 63.308 63.200 0.009 0.000 0.829 556 S HN 1.088 nan 8.310 nan 0.000 0.497 557 G N 3.625 112.446 108.800 0.035 0.000 2.220 557 G HA2 -0.253 3.707 3.960 0.000 0.000 0.269 557 G HA3 -0.253 3.707 3.960 0.000 0.000 0.269 557 G C 0.894 175.823 174.900 0.049 0.000 0.977 557 G CA 0.507 45.633 45.100 0.043 0.000 0.634 557 G HN 1.418 nan 8.290 nan 0.000 0.539 558 G N -0.120 108.716 108.800 0.059 0.000 2.920 558 G HA2 0.358 4.318 3.960 0.000 0.000 0.208 558 G HA3 0.358 4.318 3.960 0.000 0.000 0.208 558 G C 0.534 175.457 174.900 0.038 0.000 1.159 558 G CA 1.167 46.319 45.100 0.087 0.000 0.784 558 G HN 1.265 nan 8.290 nan 0.000 0.535 559 D N -0.692 119.698 120.400 -0.017 0.000 2.699 559 D HA -0.164 4.476 4.640 0.000 0.000 0.239 559 D C -0.141 176.094 176.300 -0.107 0.000 1.136 559 D CA 0.298 54.263 54.000 -0.058 0.000 0.668 559 D CB -1.191 39.592 40.800 -0.028 0.000 1.060 559 D HN 0.096 nan 8.370 nan 0.000 0.429 560 I N 1.379 121.840 120.570 -0.181 0.000 2.377 560 I HA 0.348 4.519 4.170 0.000 0.000 0.293 560 I C 0.001 175.872 176.117 -0.410 0.000 0.987 560 I CA -0.714 60.362 61.300 -0.373 0.000 1.185 560 I CB 1.019 38.614 38.000 -0.675 0.000 1.341 560 I HN 0.099 nan 8.210 nan 0.000 0.455 561 Y N 6.072 126.045 120.300 -0.544 0.000 2.376 561 Y HA 0.484 5.034 4.550 0.000 0.000 0.340 561 Y C -0.490 175.118 175.900 -0.487 0.000 0.965 561 Y CA -0.338 57.465 58.100 -0.494 0.000 1.078 561 Y CB 1.225 39.501 38.460 -0.307 0.000 1.193 561 Y HN 0.633 nan 8.280 nan 0.000 0.452 562 H N 0.000 118.429 119.070 -1.068 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.551 56.048 -0.828 0.000 1.023 562 H CB 0.000 29.201 29.762 -0.935 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496