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 2vhx_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVGIPTETK NNEFRVAITP AGVAELTRRG HEVLIQAGAG EGSAITDADF DATA SEQUENCE KAAGAQLVGT ADQVWADADL LLKVKEPIAA EYGRLRHGQI LFTFLHLAAS DATA SEQUENCE RACTDALLDS GTTSIAYETV QTADGALPLL APMSEVAGRL AAQVGAYHLM DATA SEQUENCE RTQGGRGVLM GGVPGVEPAD VVVIGAGTAG YNAARIANGM GATVTVLDIN DATA SEQUENCE IDKLRQLDAE FCGRIHTRYS SAYELEGAVK RADLVIGAVL VXXXKAPKLV DATA SEQUENCE SNSLVAHMKP GAVLVDIAID QGGCFEGSRP TTYDHPTFAV HDTLFYCVAN DATA SEQUENCE MPASVPKTST YALTNATMPY VLELADHGWR AACRSNPALA KGLSTHEGAL DATA SEQUENCE LSERVATDLG VPFTEPASVL A 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.367 176.300 0.112 0.000 1.140 1 M CA 0.000 55.389 55.300 0.148 0.000 0.988 1 M CB 0.000 32.632 32.600 0.052 0.000 1.302 2 R N 1.065 121.591 120.500 0.042 0.000 2.229 2 R HA 0.711 5.051 4.340 -0.000 0.000 0.328 2 R C -1.336 174.949 176.300 -0.025 0.000 1.009 2 R CA -0.742 55.367 56.100 0.016 0.000 0.864 2 R CB 1.788 32.095 30.300 0.012 0.000 1.085 2 R HN 0.485 nan 8.270 nan 0.000 0.453 3 V N 2.482 122.372 119.914 -0.041 0.000 2.370 3 V HA 0.531 4.651 4.120 -0.000 0.000 0.283 3 V C 0.521 176.556 176.094 -0.099 0.000 1.023 3 V CA -0.767 61.488 62.300 -0.075 0.000 0.857 3 V CB 1.687 33.463 31.823 -0.080 0.000 0.985 3 V HN 0.928 nan 8.190 nan 0.000 0.443 4 G N 4.342 113.061 108.800 -0.135 0.000 2.461 4 G HA2 0.744 4.703 3.960 -0.000 0.000 0.323 4 G HA3 0.744 4.703 3.960 -0.000 0.000 0.323 4 G C -1.238 173.521 174.900 -0.235 0.000 1.229 4 G CA -0.469 44.523 45.100 -0.181 0.000 0.941 4 G HN 0.550 nan 8.290 nan 0.000 0.477 5 I N 4.138 124.570 120.570 -0.229 0.000 2.448 5 I HA 0.337 4.506 4.170 -0.000 0.000 0.281 5 I C -2.137 173.865 176.117 -0.191 0.000 1.027 5 I CA -1.991 59.176 61.300 -0.222 0.000 1.111 5 I CB 2.698 40.569 38.000 -0.214 0.000 1.236 5 I HN 0.277 nan 8.210 nan 0.000 0.452 6 P HA 0.249 nan 4.420 nan 0.000 0.281 6 P C -0.460 176.845 177.300 0.008 0.000 1.264 6 P CA -0.442 62.615 63.100 -0.072 0.000 0.824 6 P CB 0.749 32.422 31.700 -0.044 0.000 1.092 7 T N 1.977 116.567 114.554 0.060 0.000 2.902 7 T HA 0.045 4.395 4.350 -0.000 0.000 0.301 7 T C 0.466 175.221 174.700 0.092 0.000 1.012 7 T CA -0.005 62.143 62.100 0.080 0.000 1.151 7 T CB -0.206 68.713 68.868 0.085 0.000 0.946 7 T HN 0.314 nan 8.240 nan 0.000 0.542 8 E N 2.482 122.733 120.200 0.084 0.000 2.452 8 E HA 0.020 4.370 4.350 -0.000 0.000 0.261 8 E C 1.262 177.895 176.600 0.055 0.000 0.987 8 E CA 0.239 56.686 56.400 0.078 0.000 0.926 8 E CB 0.735 30.476 29.700 0.069 0.000 0.934 8 E HN 0.827 nan 8.360 nan 0.000 0.452 9 T N -0.574 114.012 114.554 0.053 0.000 3.054 9 T HA 0.133 4.483 4.350 -0.000 0.000 0.255 9 T C 0.602 175.295 174.700 -0.013 0.000 1.035 9 T CA -0.302 61.811 62.100 0.021 0.000 0.941 9 T CB 0.374 69.259 68.868 0.029 0.000 1.026 9 T HN 0.099 nan 8.240 nan 0.000 0.533 10 K N 2.835 123.228 120.400 -0.012 0.000 2.401 10 K HA 0.134 4.454 4.320 -0.000 0.000 0.278 10 K C 0.305 176.860 176.600 -0.075 0.000 1.018 10 K CA -0.231 56.037 56.287 -0.030 0.000 0.981 10 K CB 0.388 32.884 32.500 -0.006 0.000 0.933 10 K HN 0.370 nan 8.250 nan 0.000 0.477 11 N N 2.469 121.129 118.700 -0.066 0.000 2.294 11 N HA -0.170 4.569 4.740 -0.000 0.000 0.263 11 N C -0.593 174.838 175.510 -0.132 0.000 1.281 11 N CA 0.346 53.344 53.050 -0.086 0.000 0.846 11 N CB 0.025 38.487 38.487 -0.041 0.000 1.061 11 N HN 0.580 nan 8.380 nan 0.000 0.478 12 N N -0.061 118.470 118.700 -0.281 0.000 2.753 12 N HA -0.245 4.495 4.740 -0.000 0.000 0.251 12 N C -1.311 173.805 175.510 -0.657 0.000 1.097 12 N CA 0.700 53.430 53.050 -0.534 0.000 0.786 12 N CB -0.660 37.715 38.487 -0.187 0.000 1.137 12 N HN 0.633 nan 8.380 nan 0.000 0.566 13 E N 0.060 119.983 120.200 -0.462 0.000 2.089 13 E HA 0.313 4.663 4.350 -0.000 0.000 0.284 13 E C -0.342 176.092 176.600 -0.276 0.000 1.023 13 E CA -0.178 56.067 56.400 -0.258 0.000 0.819 13 E CB 0.115 29.773 29.700 -0.070 0.000 1.076 13 E HN 0.244 nan 8.360 nan 0.000 0.396 14 F N 2.381 122.346 119.950 0.025 0.000 2.682 14 F HA 0.334 4.861 4.527 -0.000 0.000 0.308 14 F C 0.944 176.773 175.800 0.048 0.000 1.093 14 F CA -0.351 57.663 58.000 0.023 0.000 1.244 14 F CB 0.244 39.237 39.000 -0.010 0.000 1.052 14 F HN 0.161 nan 8.300 nan 0.000 0.573 15 R N 0.193 120.825 120.500 0.220 0.000 2.726 15 R HA 0.488 4.828 4.340 -0.000 0.000 0.272 15 R C -0.660 175.733 176.300 0.153 0.000 1.097 15 R CA -0.320 55.886 56.100 0.177 0.000 1.198 15 R CB 1.256 31.654 30.300 0.163 0.000 1.114 15 R HN -0.036 nan 8.270 nan 0.000 0.550 16 V N -0.133 119.862 119.914 0.136 0.000 3.007 16 V HA 0.463 4.583 4.120 -0.000 0.000 0.311 16 V C -0.146 176.002 176.094 0.090 0.000 1.120 16 V CA -0.347 62.027 62.300 0.124 0.000 0.980 16 V CB 2.074 34.003 31.823 0.178 0.000 1.033 16 V HN 0.884 nan 8.190 nan 0.000 0.429 17 A N 5.422 128.277 122.820 0.058 0.000 2.259 17 A HA 0.493 4.813 4.320 -0.000 0.000 0.208 17 A C 0.391 177.974 177.584 -0.000 0.000 1.201 17 A CA 0.650 52.709 52.037 0.037 0.000 0.824 17 A CB -0.488 18.532 19.000 0.034 0.000 0.838 17 A HN 0.812 nan 8.150 nan 0.000 0.485 18 I N -1.442 119.137 120.570 0.015 0.000 3.004 18 I HA 0.386 4.556 4.170 -0.000 0.000 0.305 18 I C -0.378 175.824 176.117 0.141 0.000 1.312 18 I CA -0.458 60.853 61.300 0.017 0.000 0.992 18 I CB 2.419 40.392 38.000 -0.046 0.000 1.282 18 I HN 0.169 nan 8.210 nan 0.000 0.449 19 T N 1.083 115.682 114.554 0.075 0.000 2.910 19 T HA 0.563 4.913 4.350 -0.000 0.000 0.287 19 T C -2.447 172.410 174.700 0.262 0.000 1.050 19 T CA -1.768 60.369 62.100 0.062 0.000 1.011 19 T CB 1.826 70.431 68.868 -0.439 0.000 1.195 19 T HN 0.281 nan 8.240 nan 0.000 0.540 20 P HA -0.018 nan 4.420 nan 0.000 0.216 20 P C 1.693 179.069 177.300 0.126 0.000 1.150 20 P CA 1.603 64.816 63.100 0.189 0.000 0.837 20 P CB -0.367 31.363 31.700 0.051 0.000 0.786 21 A N 0.031 122.906 122.820 0.091 0.000 1.892 21 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 21 A C 2.515 180.137 177.584 0.063 0.000 1.188 21 A CA 2.370 54.453 52.037 0.077 0.000 0.631 21 A CB -1.940 17.112 19.000 0.087 0.000 0.822 21 A HN 0.301 nan 8.150 nan 0.000 0.447 22 G N -0.973 107.859 108.800 0.055 0.000 2.402 22 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.216 22 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.216 22 G C 1.509 176.440 174.900 0.052 0.000 1.162 22 G CA 1.132 46.257 45.100 0.042 0.000 0.777 22 G HN 0.333 nan 8.290 nan 0.000 0.539 23 V N 1.656 121.618 119.914 0.080 0.000 2.295 23 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 23 V C 3.349 179.483 176.094 0.066 0.000 1.049 23 V CA 2.048 64.388 62.300 0.067 0.000 1.024 23 V CB -0.911 30.982 31.823 0.117 0.000 0.648 23 V HN 0.463 nan 8.190 nan 0.000 0.447 24 A N -0.175 122.690 122.820 0.075 0.000 1.940 24 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 24 A C 2.194 179.806 177.584 0.047 0.000 1.176 24 A CA 2.243 54.314 52.037 0.058 0.000 0.631 24 A CB -0.484 18.550 19.000 0.057 0.000 0.814 24 A HN 0.564 nan 8.150 nan 0.000 0.446 25 E N -0.031 120.198 120.200 0.049 0.000 2.072 25 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 25 E C 1.847 178.484 176.600 0.061 0.000 0.982 25 E CA 0.905 57.332 56.400 0.045 0.000 0.803 25 E CB -0.380 29.344 29.700 0.040 0.000 0.755 25 E HN 0.580 nan 8.360 nan 0.000 0.453 26 L N -0.052 121.218 121.223 0.077 0.000 1.994 26 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 26 L C 2.470 179.411 176.870 0.119 0.000 1.071 26 L CA 1.833 56.756 54.840 0.138 0.000 0.745 26 L CB -0.761 41.355 42.059 0.095 0.000 0.892 26 L HN 0.187 nan 8.230 nan 0.000 0.431 27 T N -0.967 113.627 114.554 0.066 0.000 2.699 27 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 27 T C 2.015 176.715 174.700 -0.001 0.000 1.036 27 T CA 1.423 63.541 62.100 0.030 0.000 1.147 27 T CB -0.260 68.627 68.868 0.031 0.000 0.862 27 T HN 0.234 nan 8.240 nan 0.000 0.446 28 R N 0.685 121.189 120.500 0.007 0.000 2.120 28 R HA 0.012 4.352 4.340 -0.000 0.000 0.234 28 R C 2.042 178.319 176.300 -0.039 0.000 1.123 28 R CA 1.110 57.205 56.100 -0.008 0.000 0.975 28 R CB 0.002 30.305 30.300 0.005 0.000 0.866 28 R HN 0.305 nan 8.270 nan 0.000 0.446 29 R N -1.057 119.411 120.500 -0.053 0.000 2.310 29 R HA 0.093 4.433 4.340 -0.000 0.000 0.202 29 R C 0.659 176.766 176.300 -0.323 0.000 0.933 29 R CA 0.543 56.563 56.100 -0.133 0.000 1.054 29 R CB 0.670 30.934 30.300 -0.060 0.000 0.985 29 R HN 0.426 nan 8.270 nan 0.000 0.489 30 G N 1.295 109.946 108.800 -0.248 0.000 2.137 30 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 30 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 30 G C -0.290 174.401 174.900 -0.348 0.000 1.002 30 G CA -0.331 44.616 45.100 -0.255 0.000 0.702 30 G HN 0.377 nan 8.290 nan 0.000 0.515 31 H N 0.559 119.616 119.070 -0.023 0.000 2.481 31 H HA 0.469 5.025 4.556 0.000 0.000 0.339 31 H C 0.296 175.611 175.328 -0.020 0.000 1.131 31 H CA -0.167 55.866 56.048 -0.024 0.000 1.301 31 H CB 1.072 30.817 29.762 -0.029 0.000 1.476 31 H HN 0.497 nan 8.280 nan 0.000 0.529 32 E N 1.386 121.649 120.200 0.105 0.000 2.197 32 E HA 0.368 4.718 4.350 -0.000 0.000 0.281 32 E C -0.671 175.946 176.600 0.029 0.000 0.995 32 E CA -0.683 55.744 56.400 0.045 0.000 0.808 32 E CB 1.774 31.491 29.700 0.028 0.000 1.093 32 E HN 0.173 nan 8.360 nan 0.000 0.394 33 V N 4.733 124.647 119.914 0.000 0.000 2.448 33 V HA 0.312 4.432 4.120 -0.000 0.000 0.295 33 V C -0.394 175.658 176.094 -0.069 0.000 1.025 33 V CA -0.711 61.563 62.300 -0.042 0.000 0.859 33 V CB 1.039 32.830 31.823 -0.053 0.000 0.988 33 V HN 0.544 nan 8.190 nan 0.000 0.431 34 L N 6.404 127.573 121.223 -0.091 0.000 2.298 34 L HA 0.635 4.974 4.340 -0.000 0.000 0.284 34 L C -0.736 176.049 176.870 -0.141 0.000 1.013 34 L CA -0.250 54.535 54.840 -0.090 0.000 0.824 34 L CB 1.556 43.576 42.059 -0.065 0.000 1.221 34 L HN 0.494 nan 8.230 nan 0.000 0.418 35 I N 2.895 123.374 120.570 -0.152 0.000 2.465 35 I HA 0.255 4.424 4.170 -0.000 0.000 0.291 35 I C -0.036 176.023 176.117 -0.097 0.000 1.014 35 I CA -0.597 60.581 61.300 -0.203 0.000 1.093 35 I CB 2.254 40.011 38.000 -0.404 0.000 1.267 35 I HN 0.622 nan 8.210 nan 0.000 0.431 36 Q N 4.455 124.216 119.800 -0.065 0.000 2.337 36 Q HA 0.341 4.681 4.340 -0.000 0.000 0.270 36 Q C -0.029 175.989 176.000 0.031 0.000 1.002 36 Q CA -0.517 55.286 55.803 -0.000 0.000 0.888 36 Q CB 1.162 29.915 28.738 0.025 0.000 1.222 36 Q HN 0.779 nan 8.270 nan 0.000 0.400 37 A N 3.321 126.169 122.820 0.046 0.000 2.545 37 A HA 0.372 4.692 4.320 -0.000 0.000 0.253 37 A C 1.155 178.787 177.584 0.081 0.000 1.074 37 A CA 0.738 52.815 52.037 0.067 0.000 0.760 37 A CB -0.770 18.263 19.000 0.055 0.000 1.005 37 A HN 1.325 nan 8.150 nan 0.000 0.506 38 G N 1.104 109.969 108.800 0.108 0.000 2.194 38 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.236 38 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.236 38 G C 1.216 176.197 174.900 0.135 0.000 0.987 38 G CA 0.946 46.111 45.100 0.109 0.000 0.635 38 G HN 1.954 nan 8.290 nan 0.000 0.520 39 A N 0.308 123.219 122.820 0.151 0.000 1.978 39 A HA 0.327 4.647 4.320 -0.000 0.000 0.220 39 A C 2.533 180.249 177.584 0.220 0.000 1.170 39 A CA 2.402 54.531 52.037 0.155 0.000 0.636 39 A CB -0.616 18.441 19.000 0.095 0.000 0.810 39 A HN 1.642 nan 8.150 nan 0.000 0.448 40 G N -1.486 107.498 108.800 0.307 0.000 3.088 40 G HA2 0.166 4.125 3.960 -0.000 0.000 0.217 40 G HA3 0.166 4.125 3.960 -0.000 0.000 0.217 40 G C 1.090 176.052 174.900 0.104 0.000 1.159 40 G CA 0.526 45.775 45.100 0.248 0.000 0.760 40 G HN 0.595 nan 8.290 nan 0.000 0.550 41 E N 0.553 120.816 120.200 0.106 0.000 2.085 41 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 41 E C 2.664 179.289 176.600 0.041 0.000 0.994 41 E CA 0.908 57.343 56.400 0.059 0.000 0.801 41 E CB -0.180 29.559 29.700 0.066 0.000 0.743 41 E HN 0.367 nan 8.360 nan 0.000 0.453 42 G N -0.031 108.829 108.800 0.101 0.000 2.462 42 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 42 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 42 G C 1.452 176.354 174.900 0.004 0.000 1.121 42 G CA 0.924 46.068 45.100 0.073 0.000 0.758 42 G HN 0.148 nan 8.290 nan 0.000 0.559 43 S N -0.281 115.452 115.700 0.055 0.000 2.554 43 S HA 0.500 4.970 4.470 -0.000 0.000 0.226 43 S C 1.292 175.913 174.600 0.035 0.000 0.980 43 S CA 0.582 58.819 58.200 0.063 0.000 0.939 43 S CB 0.398 63.663 63.200 0.109 0.000 0.832 43 S HN 1.320 nan 8.310 nan 0.000 0.486 44 A N 0.914 123.728 122.820 -0.009 0.000 2.925 44 A HA -0.189 4.131 4.320 -0.000 0.000 0.265 44 A C 0.070 177.626 177.584 -0.046 0.000 1.419 44 A CA 0.528 52.546 52.037 -0.031 0.000 0.807 44 A CB -2.401 16.576 19.000 -0.038 0.000 1.043 44 A HN 0.495 nan 8.150 nan 0.000 0.600 45 I N 1.748 122.270 120.570 -0.081 0.000 2.330 45 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 45 I C 1.058 177.058 176.117 -0.194 0.000 1.001 45 I CA 0.197 61.359 61.300 -0.229 0.000 1.193 45 I CB 1.707 39.402 38.000 -0.509 0.000 1.345 45 I HN 0.462 nan 8.210 nan 0.000 0.461 46 T N 0.018 114.481 114.554 -0.152 0.000 2.828 46 T HA 0.159 4.509 4.350 -0.000 0.000 0.290 46 T C 0.765 175.456 174.700 -0.015 0.000 1.019 46 T CA -0.633 61.433 62.100 -0.057 0.000 1.031 46 T CB 1.201 70.048 68.868 -0.036 0.000 1.001 46 T HN 0.457 nan 8.240 nan 0.000 0.531 47 D N 1.110 121.555 120.400 0.075 0.000 2.149 47 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 47 D C 2.338 178.708 176.300 0.115 0.000 0.990 47 D CA 1.727 55.814 54.000 0.145 0.000 0.839 47 D CB -0.804 40.062 40.800 0.111 0.000 0.948 47 D HN 0.754 nan 8.370 nan 0.000 0.460 48 A N 1.199 124.053 122.820 0.056 0.000 1.883 48 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 48 A C 1.826 179.431 177.584 0.036 0.000 1.186 48 A CA 1.908 53.970 52.037 0.041 0.000 0.624 48 A CB -0.524 18.488 19.000 0.019 0.000 0.822 48 A HN 0.055 nan 8.150 nan 0.000 0.444 49 D N -0.897 119.494 120.400 -0.014 0.000 2.123 49 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 49 D C 1.692 177.996 176.300 0.007 0.000 0.992 49 D CA 1.175 55.140 54.000 -0.058 0.000 0.833 49 D CB -0.445 40.245 40.800 -0.183 0.000 0.954 49 D HN 0.618 nan 8.370 nan 0.000 0.455 50 F N 0.625 120.587 119.950 0.021 0.000 2.163 50 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 50 F C 2.502 178.310 175.800 0.014 0.000 1.094 50 F CA 0.513 58.522 58.000 0.015 0.000 1.290 50 F CB 0.151 39.158 39.000 0.012 0.000 1.017 50 F HN -0.152 nan 8.300 nan 0.000 0.483 51 K N 0.740 121.267 120.400 0.212 0.000 2.057 51 K HA -0.166 4.153 4.320 -0.000 0.000 0.207 51 K C 2.114 178.767 176.600 0.088 0.000 1.049 51 K CA 1.186 57.544 56.287 0.118 0.000 0.931 51 K CB -0.249 32.304 32.500 0.088 0.000 0.714 51 K HN 0.179 nan 8.250 nan 0.000 0.440 52 A N 0.843 123.711 122.820 0.079 0.000 1.908 52 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 52 A C 2.280 179.902 177.584 0.063 0.000 1.181 52 A CA 1.892 53.964 52.037 0.057 0.000 0.627 52 A CB -0.843 18.181 19.000 0.040 0.000 0.818 52 A HN 0.464 nan 8.150 nan 0.000 0.445 53 A N -2.228 120.647 122.820 0.091 0.000 2.119 53 A HA 0.364 4.684 4.320 -0.000 0.000 0.217 53 A C 1.781 179.413 177.584 0.080 0.000 1.153 53 A CA 1.646 53.739 52.037 0.094 0.000 0.692 53 A CB -0.622 18.462 19.000 0.140 0.000 0.799 53 A HN 1.826 nan 8.150 nan 0.000 0.458 54 G N -3.034 105.811 108.800 0.076 0.000 2.273 54 G HA2 0.263 4.223 3.960 -0.000 0.000 0.162 54 G HA3 0.263 4.223 3.960 -0.000 0.000 0.162 54 G C 0.290 175.213 174.900 0.038 0.000 1.006 54 G CA 0.036 45.166 45.100 0.050 0.000 0.704 54 G HN 1.325 nan 8.290 nan 0.000 0.487 55 A N 0.121 122.969 122.820 0.046 0.000 2.351 55 A HA 0.701 5.021 4.320 -0.000 0.000 0.257 55 A C 0.460 178.048 177.584 0.007 0.000 1.087 55 A CA 0.230 52.269 52.037 0.002 0.000 0.798 55 A CB 0.606 19.580 19.000 -0.044 0.000 1.033 55 A HN 0.481 nan 8.150 nan 0.000 0.488 56 Q N 1.389 121.182 119.800 -0.012 0.000 2.274 56 Q HA 0.400 4.740 4.340 -0.000 0.000 0.256 56 Q C -1.251 174.742 176.000 -0.012 0.000 0.927 56 Q CA -0.586 55.215 55.803 -0.003 0.000 0.939 56 Q CB 0.557 29.293 28.738 -0.003 0.000 1.201 56 Q HN 0.607 nan 8.270 nan 0.000 0.426 57 L N 5.087 126.315 121.223 0.009 0.000 2.292 57 L HA 0.395 4.735 4.340 -0.000 0.000 0.284 57 L C -0.000 176.878 176.870 0.014 0.000 1.065 57 L CA -0.344 54.504 54.840 0.013 0.000 0.806 57 L CB 0.901 42.986 42.059 0.044 0.000 1.175 57 L HN 0.507 nan 8.230 nan 0.000 0.431 58 V N -0.242 119.678 119.914 0.010 0.000 2.628 58 V HA 0.749 4.869 4.120 -0.000 0.000 0.306 58 V C 0.919 177.030 176.094 0.028 0.000 1.045 58 V CA -0.342 61.969 62.300 0.017 0.000 0.905 58 V CB 1.382 33.213 31.823 0.013 0.000 0.997 58 V HN 0.793 nan 8.190 nan 0.000 0.436 59 G N 3.102 111.921 108.800 0.032 0.000 2.408 59 G HA2 0.087 4.047 3.960 -0.000 0.000 0.217 59 G HA3 0.087 4.047 3.960 -0.000 0.000 0.217 59 G C 0.632 175.558 174.900 0.044 0.000 1.150 59 G CA 1.189 46.311 45.100 0.036 0.000 0.776 59 G HN 1.094 nan 8.290 nan 0.000 0.542 60 T N -2.606 111.977 114.554 0.049 0.000 2.912 60 T HA 0.680 5.030 4.350 -0.000 0.000 0.288 60 T C 1.198 175.953 174.700 0.092 0.000 1.030 60 T CA -0.056 62.081 62.100 0.062 0.000 1.020 60 T CB 2.084 70.985 68.868 0.054 0.000 1.056 60 T HN 0.145 nan 8.240 nan 0.000 0.480 61 A N 1.670 124.560 122.820 0.117 0.000 1.898 61 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 61 A C 1.823 179.578 177.584 0.286 0.000 1.181 61 A CA 1.766 53.928 52.037 0.209 0.000 0.620 61 A CB -0.955 18.166 19.000 0.202 0.000 0.819 61 A HN 0.941 nan 8.150 nan 0.000 0.442 62 D N -0.706 119.793 120.400 0.166 0.000 2.269 62 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 62 D C 1.800 178.201 176.300 0.170 0.000 0.963 62 D CA 1.146 55.243 54.000 0.162 0.000 0.864 62 D CB -0.589 40.244 40.800 0.055 0.000 0.936 62 D HN 0.665 nan 8.370 nan 0.000 0.505 63 Q N 0.622 120.497 119.800 0.125 0.000 2.123 63 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 63 Q C 1.853 177.908 176.000 0.092 0.000 0.966 63 Q CA 0.904 56.762 55.803 0.092 0.000 0.845 63 Q CB 0.162 28.936 28.738 0.060 0.000 0.907 63 Q HN 0.195 nan 8.270 nan 0.000 0.439 64 V N -0.315 119.655 119.914 0.094 0.000 2.343 64 V HA -0.243 3.876 4.120 -0.000 0.000 0.247 64 V C 1.549 177.658 176.094 0.026 0.000 1.051 64 V CA 1.812 64.121 62.300 0.015 0.000 1.036 64 V CB -0.635 31.154 31.823 -0.055 0.000 0.654 64 V HN 0.492 nan 8.190 nan 0.000 0.451 65 W N -0.130 121.173 121.300 0.005 0.000 2.453 65 W HA 0.126 4.787 4.660 0.000 0.000 0.289 65 W C 2.569 179.096 176.519 0.013 0.000 1.215 65 W CA 1.152 58.502 57.345 0.009 0.000 1.297 65 W CB -0.449 29.017 29.460 0.011 0.000 1.113 65 W HN 0.146 nan 8.180 nan 0.000 0.551 66 A N -0.156 122.809 122.820 0.242 0.000 1.968 66 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 66 A C 1.373 179.016 177.584 0.098 0.000 1.169 66 A CA 2.020 54.146 52.037 0.147 0.000 0.638 66 A CB -0.485 18.579 19.000 0.108 0.000 0.812 66 A HN 0.118 nan 8.150 nan 0.000 0.446 67 D N -0.657 119.788 120.400 0.075 0.000 2.366 67 D HA 0.325 4.965 4.640 -0.000 0.000 0.205 67 D C 0.774 177.089 176.300 0.025 0.000 1.022 67 D CA 0.777 54.803 54.000 0.044 0.000 0.868 67 D CB 0.034 40.852 40.800 0.030 0.000 0.953 67 D HN 0.389 nan 8.370 nan 0.000 0.514 68 A N 0.740 123.565 122.820 0.008 0.000 2.354 68 A HA 0.213 4.533 4.320 -0.000 0.000 0.269 68 A C 0.725 178.310 177.584 0.001 0.000 1.109 68 A CA -0.279 51.743 52.037 -0.025 0.000 0.800 68 A CB 0.629 19.571 19.000 -0.096 0.000 1.045 68 A HN -0.100 nan 8.150 nan 0.000 0.489 69 D N 0.686 121.086 120.400 0.001 0.000 2.277 69 D HA 0.062 4.702 4.640 -0.000 0.000 0.209 69 D C 0.181 176.487 176.300 0.010 0.000 0.970 69 D CA 0.762 54.776 54.000 0.024 0.000 0.874 69 D CB 0.269 41.088 40.800 0.032 0.000 0.982 69 D HN 0.373 nan 8.370 nan 0.000 0.504 70 L N 1.682 122.889 121.223 -0.027 0.000 2.325 70 L HA 0.394 4.734 4.340 -0.000 0.000 0.281 70 L C -1.346 175.473 176.870 -0.085 0.000 1.004 70 L CA -0.630 54.187 54.840 -0.038 0.000 0.823 70 L CB 2.160 44.193 42.059 -0.044 0.000 1.236 70 L HN -0.141 nan 8.230 nan 0.000 0.415 71 L N 5.865 127.020 121.223 -0.114 0.000 2.276 71 L HA 0.484 4.824 4.340 -0.000 0.000 0.286 71 L C -0.893 175.871 176.870 -0.177 0.000 1.024 71 L CA -0.206 54.485 54.840 -0.248 0.000 0.826 71 L CB 1.220 43.001 42.059 -0.463 0.000 1.211 71 L HN 0.514 nan 8.230 nan 0.000 0.422 72 L N 5.515 126.644 121.223 -0.155 0.000 2.289 72 L HA 0.580 4.920 4.340 -0.000 0.000 0.285 72 L C -0.122 176.674 176.870 -0.123 0.000 1.049 72 L CA -0.507 54.290 54.840 -0.072 0.000 0.804 72 L CB 1.227 43.286 42.059 -0.000 0.000 1.195 72 L HN 0.590 nan 8.230 nan 0.000 0.428 73 K N 1.397 121.733 120.400 -0.108 0.000 2.399 73 K HA 0.512 4.831 4.320 -0.000 0.000 0.260 73 K C 0.060 176.664 176.600 0.005 0.000 1.049 73 K CA -0.854 55.397 56.287 -0.060 0.000 0.890 73 K CB 2.578 35.045 32.500 -0.054 0.000 1.430 73 K HN 0.187 nan 8.250 nan 0.000 0.459 74 V N 0.383 120.355 119.914 0.097 0.000 2.627 74 V HA 0.074 4.194 4.120 -0.000 0.000 0.239 74 V C 0.324 176.589 176.094 0.284 0.000 1.077 74 V CA 0.987 63.434 62.300 0.246 0.000 1.103 74 V CB 0.093 32.063 31.823 0.246 0.000 0.802 74 V HN 0.507 nan 8.190 nan 0.000 0.482 75 K N 1.302 121.815 120.400 0.189 0.000 2.210 75 K HA 0.349 4.669 4.320 -0.000 0.000 0.236 75 K C 0.028 176.705 176.600 0.128 0.000 1.016 75 K CA -0.591 55.809 56.287 0.188 0.000 0.913 75 K CB 0.557 33.145 32.500 0.147 0.000 1.141 75 K HN 0.347 nan 8.250 nan 0.000 0.462 76 E N 2.210 122.496 120.200 0.144 0.000 2.383 76 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 76 E C -2.272 174.419 176.600 0.152 0.000 1.050 76 E CA -1.692 54.785 56.400 0.128 0.000 0.896 76 E CB -0.179 29.605 29.700 0.141 0.000 0.982 76 E HN 0.162 nan 8.360 nan 0.000 0.424 77 P HA 0.058 nan 4.420 nan 0.000 0.267 77 P C 0.109 177.502 177.300 0.155 0.000 1.200 77 P CA 0.196 63.419 63.100 0.205 0.000 0.772 77 P CB 0.365 32.218 31.700 0.255 0.000 0.855 78 I N -1.263 119.288 120.570 -0.031 0.000 3.205 78 I HA 0.639 4.809 4.170 -0.000 0.000 0.310 78 I C 1.431 177.104 176.117 -0.739 0.000 1.089 78 I CA -1.146 60.020 61.300 -0.224 0.000 1.023 78 I CB 0.895 38.814 38.000 -0.135 0.000 1.269 78 I HN 0.216 nan 8.210 nan 0.000 0.512 79 A N 1.676 123.987 122.820 -0.849 0.000 1.908 79 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 79 A C 2.254 179.430 177.584 -0.680 0.000 1.181 79 A CA 2.233 53.589 52.037 -1.135 0.000 0.627 79 A CB -1.363 17.332 19.000 -0.509 0.000 0.818 79 A HN 1.034 nan 8.150 nan 0.000 0.445 80 A N -0.620 121.963 122.820 -0.394 0.000 2.131 80 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 80 A C 1.721 179.147 177.584 -0.263 0.000 1.158 80 A CA 1.621 53.508 52.037 -0.250 0.000 0.665 80 A CB -0.385 18.517 19.000 -0.164 0.000 0.795 80 A HN 0.696 nan 8.150 nan 0.000 0.460 81 E N -2.087 117.912 120.200 -0.335 0.000 2.473 81 E HA 0.047 4.397 4.350 -0.000 0.000 0.204 81 E C 0.947 177.361 176.600 -0.311 0.000 0.994 81 E CA -0.195 55.971 56.400 -0.391 0.000 0.945 81 E CB 0.003 29.491 29.700 -0.354 0.000 0.990 81 E HN 0.633 nan 8.360 nan 0.000 0.493 82 Y N 0.884 121.035 120.300 -0.248 0.000 2.256 82 Y HA -0.089 4.461 4.550 -0.000 0.000 0.288 82 Y C 2.478 178.252 175.900 -0.211 0.000 1.155 82 Y CA 1.304 59.283 58.100 -0.200 0.000 1.203 82 Y CB -0.951 37.436 38.460 -0.123 0.000 0.980 82 Y HN 0.097 nan 8.280 nan 0.000 0.530 83 G N -0.755 108.016 108.800 -0.048 0.000 2.744 83 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.211 83 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.211 83 G C 1.770 176.579 174.900 -0.152 0.000 1.143 83 G CA -0.007 45.045 45.100 -0.080 0.000 0.788 83 G HN 0.284 nan 8.290 nan 0.000 0.534 84 R N -0.643 119.670 120.500 -0.312 0.000 2.254 84 R HA 0.228 4.568 4.340 -0.000 0.000 0.195 84 R C 0.438 176.577 176.300 -0.268 0.000 0.957 84 R CA -0.291 55.544 56.100 -0.441 0.000 1.024 84 R CB -0.049 29.611 30.300 -1.067 0.000 0.952 84 R HN 0.286 nan 8.270 nan 0.000 0.484 85 L N 2.717 123.806 121.223 -0.224 0.000 2.485 85 L HA 0.032 4.372 4.340 -0.000 0.000 0.275 85 L C 0.353 177.245 176.870 0.036 0.000 1.207 85 L CA 0.544 55.378 54.840 -0.009 0.000 0.855 85 L CB 0.167 42.203 42.059 -0.038 0.000 1.114 85 L HN 0.142 nan 8.230 nan 0.000 0.485 86 R N 0.499 121.054 120.500 0.090 0.000 2.643 86 R HA 0.391 4.731 4.340 -0.000 0.000 0.269 86 R C -0.990 175.357 176.300 0.077 0.000 1.037 86 R CA -1.123 55.024 56.100 0.079 0.000 0.894 86 R CB 0.890 31.257 30.300 0.112 0.000 1.238 86 R HN 0.442 nan 8.270 nan 0.000 0.459 87 H N 0.227 119.297 119.070 -0.001 0.000 3.115 87 H HA 0.141 4.697 4.556 -0.000 0.000 0.324 87 H C 1.331 176.672 175.328 0.022 0.000 1.007 87 H CA 2.254 58.292 56.048 -0.017 0.000 1.385 87 H CB 0.661 30.412 29.762 -0.020 0.000 1.351 87 H HN 0.974 nan 8.280 nan 0.000 0.592 88 G N 2.790 111.727 108.800 0.228 0.000 2.157 88 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 88 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 88 G C 0.140 175.127 174.900 0.145 0.000 0.979 88 G CA 0.332 45.546 45.100 0.190 0.000 0.650 88 G HN 0.737 nan 8.290 nan 0.000 0.529 89 Q N -0.277 119.589 119.800 0.111 0.000 2.342 89 Q HA 0.727 5.067 4.340 -0.000 0.000 0.267 89 Q C -0.398 175.625 176.000 0.038 0.000 1.038 89 Q CA -1.101 54.751 55.803 0.082 0.000 0.832 89 Q CB 1.164 29.962 28.738 0.099 0.000 1.323 89 Q HN 0.348 nan 8.270 nan 0.000 0.448 90 I N 3.857 124.441 120.570 0.023 0.000 2.321 90 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 90 I C -0.806 175.298 176.117 -0.021 0.000 0.998 90 I CA -0.765 60.518 61.300 -0.028 0.000 1.227 90 I CB 1.294 39.295 38.000 0.001 0.000 1.368 90 I HN 0.478 nan 8.210 nan 0.000 0.466 91 L N 7.846 129.054 121.223 -0.025 0.000 2.282 91 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 91 L C -1.429 175.467 176.870 0.043 0.000 1.033 91 L CA -0.087 54.751 54.840 -0.004 0.000 0.807 91 L CB 1.032 43.107 42.059 0.026 0.000 1.209 91 L HN 0.386 nan 8.230 nan 0.000 0.423 92 F N 4.918 124.752 119.950 -0.192 0.000 2.577 92 F HA 0.718 5.245 4.527 -0.000 0.000 0.344 92 F C -0.372 175.063 175.800 -0.609 0.000 1.145 92 F CA -0.223 57.619 58.000 -0.262 0.000 0.996 92 F CB 1.314 40.283 39.000 -0.052 0.000 1.248 92 F HN 0.625 nan 8.300 nan 0.000 0.447 93 T N 4.452 118.361 114.554 -1.074 0.000 2.677 93 T HA 0.457 4.807 4.350 -0.000 0.000 0.305 93 T C -1.492 172.430 174.700 -1.296 0.000 1.569 93 T CA -0.462 60.782 62.100 -1.427 0.000 0.984 93 T CB 0.461 69.043 68.868 -0.477 0.000 1.629 93 T HN 0.128 nan 8.240 nan 0.000 0.494 94 F N 2.442 122.023 119.950 -0.615 0.000 2.467 94 F HA 0.394 4.921 4.527 -0.000 0.000 0.362 94 F C 1.278 176.917 175.800 -0.270 0.000 1.090 94 F CA -0.113 57.703 58.000 -0.307 0.000 1.202 94 F CB 0.674 39.655 39.000 -0.031 0.000 1.113 94 F HN 0.363 nan 8.300 nan 0.000 0.541 95 L N 2.079 123.198 121.223 -0.174 0.000 2.445 95 L HA 0.069 4.409 4.340 -0.000 0.000 0.207 95 L C 0.443 177.314 176.870 0.001 0.000 1.053 95 L CA -0.032 54.763 54.840 -0.076 0.000 0.841 95 L CB -0.158 41.853 42.059 -0.080 0.000 1.074 95 L HN 0.587 nan 8.230 nan 0.000 0.479 96 H N 0.879 120.001 119.070 0.086 0.000 2.604 96 H HA -0.164 4.392 4.556 -0.000 0.000 0.321 96 H C 1.289 176.640 175.328 0.037 0.000 1.132 96 H CA 0.459 56.542 56.048 0.059 0.000 1.129 96 H CB -1.644 28.146 29.762 0.048 0.000 1.526 96 H HN 0.324 nan 8.280 nan 0.000 0.415 97 L N -0.545 120.725 121.223 0.078 0.000 2.131 97 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 97 L C 2.704 179.603 176.870 0.050 0.000 1.092 97 L CA 1.467 56.336 54.840 0.049 0.000 0.759 97 L CB -0.364 41.704 42.059 0.016 0.000 0.903 97 L HN 0.528 nan 8.230 nan 0.000 0.435 98 A N 0.093 122.946 122.820 0.056 0.000 2.019 98 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 98 A C 2.386 179.993 177.584 0.038 0.000 1.164 98 A CA 1.604 53.664 52.037 0.039 0.000 0.644 98 A CB -0.439 18.584 19.000 0.038 0.000 0.805 98 A HN 0.413 nan 8.150 nan 0.000 0.449 99 A N -1.708 121.147 122.820 0.058 0.000 2.169 99 A HA 0.387 4.707 4.320 -0.000 0.000 0.212 99 A C 1.088 178.696 177.584 0.039 0.000 1.153 99 A CA 1.011 53.073 52.037 0.042 0.000 0.756 99 A CB -0.147 18.877 19.000 0.041 0.000 0.813 99 A HN 0.565 nan 8.150 nan 0.000 0.471 100 S N -1.087 114.640 115.700 0.045 0.000 2.673 100 S HA 0.350 4.820 4.470 -0.000 0.000 0.256 100 S C 0.523 175.138 174.600 0.024 0.000 1.141 100 S CA -0.615 57.611 58.200 0.042 0.000 1.109 100 S CB 0.704 63.945 63.200 0.068 0.000 1.101 100 S HN 0.469 nan 8.310 nan 0.000 0.471 101 R N 3.396 123.903 120.500 0.012 0.000 2.120 101 R HA -0.025 4.315 4.340 -0.000 0.000 0.234 101 R C 1.991 178.275 176.300 -0.026 0.000 1.123 101 R CA 1.822 57.918 56.100 -0.007 0.000 0.975 101 R CB -0.372 29.924 30.300 -0.006 0.000 0.866 101 R HN 0.692 nan 8.270 nan 0.000 0.446 102 A N 0.411 123.232 122.820 0.001 0.000 1.877 102 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 102 A C 2.473 179.976 177.584 -0.135 0.000 1.186 102 A CA 1.483 53.515 52.037 -0.009 0.000 0.620 102 A CB -1.257 17.817 19.000 0.123 0.000 0.822 102 A HN 0.612 nan 8.150 nan 0.000 0.443 103 C N -0.881 118.404 119.300 -0.024 0.000 2.413 103 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 103 C C 3.018 177.911 174.990 -0.162 0.000 1.228 103 C CA 2.120 61.090 59.018 -0.079 0.000 1.731 103 C CB -1.494 26.289 27.740 0.071 0.000 2.042 103 C HN 0.634 nan 8.230 nan 0.000 0.468 104 T N 0.367 114.868 114.554 -0.088 0.000 2.652 104 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 104 T C 1.389 176.014 174.700 -0.125 0.000 1.039 104 T CA 2.062 64.113 62.100 -0.082 0.000 1.153 104 T CB -0.507 68.335 68.868 -0.042 0.000 0.863 104 T HN 0.568 nan 8.240 nan 0.000 0.428 105 D N 0.992 121.309 120.400 -0.138 0.000 2.144 105 D HA 0.011 4.651 4.640 -0.000 0.000 0.199 105 D C 2.335 178.499 176.300 -0.227 0.000 0.984 105 D CA 1.106 55.016 54.000 -0.150 0.000 0.834 105 D CB -0.371 40.360 40.800 -0.115 0.000 0.955 105 D HN 0.405 nan 8.370 nan 0.000 0.465 106 A N 0.511 123.101 122.820 -0.383 0.000 1.933 106 A HA -0.107 4.212 4.320 -0.000 0.000 0.218 106 A C 2.389 179.786 177.584 -0.312 0.000 1.175 106 A CA 0.822 52.552 52.037 -0.513 0.000 0.628 106 A CB -0.615 17.662 19.000 -1.205 0.000 0.814 106 A HN 0.207 nan 8.150 nan 0.000 0.444 107 L N -0.811 120.266 121.223 -0.244 0.000 2.072 107 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 107 L C 2.550 179.327 176.870 -0.156 0.000 1.079 107 L CA 0.830 55.575 54.840 -0.158 0.000 0.752 107 L CB -0.514 41.477 42.059 -0.113 0.000 0.906 107 L HN 0.361 nan 8.230 nan 0.000 0.436 108 L N -0.431 120.704 121.223 -0.147 0.000 2.017 108 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 108 L C 2.239 179.018 176.870 -0.151 0.000 1.073 108 L CA 1.148 55.905 54.840 -0.137 0.000 0.745 108 L CB -0.642 41.355 42.059 -0.104 0.000 0.894 108 L HN 0.271 nan 8.230 nan 0.000 0.432 109 D N -0.373 119.941 120.400 -0.144 0.000 2.178 109 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 109 D C 2.374 178.593 176.300 -0.136 0.000 0.980 109 D CA 1.632 55.556 54.000 -0.127 0.000 0.842 109 D CB -0.115 40.617 40.800 -0.113 0.000 0.948 109 D HN 0.340 nan 8.370 nan 0.000 0.472 110 S N -0.578 115.031 115.700 -0.152 0.000 2.447 110 S HA 0.054 4.524 4.470 -0.000 0.000 0.233 110 S C 1.902 176.364 174.600 -0.230 0.000 1.006 110 S CA 1.249 59.365 58.200 -0.141 0.000 0.957 110 S CB -0.107 63.025 63.200 -0.114 0.000 0.773 110 S HN 0.345 nan 8.310 nan 0.000 0.507 111 G N 0.297 108.898 108.800 -0.332 0.000 2.179 111 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 111 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 111 G C 0.259 174.850 174.900 -0.515 0.000 0.977 111 G CA 0.514 45.237 45.100 -0.628 0.000 0.641 111 G HN 0.815 nan 8.290 nan 0.000 0.533 112 T N 0.994 115.383 114.554 -0.275 0.000 2.856 112 T HA 0.477 4.827 4.350 -0.000 0.000 0.306 112 T C 0.720 175.307 174.700 -0.188 0.000 1.062 112 T CA 1.171 63.172 62.100 -0.165 0.000 1.083 112 T CB 0.354 69.187 68.868 -0.059 0.000 0.984 112 T HN 0.272 nan 8.240 nan 0.000 0.542 113 T N 3.682 118.138 114.554 -0.163 0.000 2.744 113 T HA 0.528 4.878 4.350 -0.000 0.000 0.291 113 T C -0.258 174.312 174.700 -0.217 0.000 0.957 113 T CA -0.715 61.226 62.100 -0.266 0.000 1.002 113 T CB 0.705 69.265 68.868 -0.513 0.000 0.919 113 T HN 0.674 nan 8.240 nan 0.000 0.468 114 S N 3.189 118.774 115.700 -0.193 0.000 2.542 114 S HA 0.837 5.307 4.470 -0.000 0.000 0.293 114 S C -0.847 173.688 174.600 -0.109 0.000 1.089 114 S CA -0.947 57.183 58.200 -0.116 0.000 0.961 114 S CB 1.161 64.318 63.200 -0.072 0.000 1.062 114 S HN 0.598 nan 8.310 nan 0.000 0.483 115 I N 1.389 121.933 120.570 -0.044 0.000 2.569 115 I HA 0.593 4.763 4.170 -0.000 0.000 0.290 115 I C -0.256 175.914 176.117 0.088 0.000 1.088 115 I CA -1.097 60.209 61.300 0.011 0.000 1.047 115 I CB 2.125 40.092 38.000 -0.055 0.000 1.237 115 I HN 0.903 nan 8.210 nan 0.000 0.421 116 A N 5.313 128.149 122.820 0.027 0.000 2.274 116 A HA 0.457 4.777 4.320 -0.000 0.000 0.309 116 A C 0.452 178.018 177.584 -0.029 0.000 1.226 116 A CA -0.276 51.716 52.037 -0.075 0.000 0.853 116 A CB 0.164 19.121 19.000 -0.072 0.000 1.146 116 A HN 0.842 nan 8.150 nan 0.000 0.518 117 Y N 1.065 121.159 120.300 -0.343 0.000 2.114 117 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 117 Y C 2.592 178.341 175.900 -0.251 0.000 1.165 117 Y CA 1.332 59.104 58.100 -0.547 0.000 1.148 117 Y CB 0.135 37.806 38.460 -1.316 0.000 0.972 117 Y HN 0.853 nan 8.280 nan 0.000 0.504 118 E N 0.526 120.778 120.200 0.087 0.000 2.418 118 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 118 E C 1.284 177.944 176.600 0.101 0.000 1.026 118 E CA 1.609 58.136 56.400 0.212 0.000 0.862 118 E CB -0.561 29.308 29.700 0.282 0.000 0.799 118 E HN 0.524 nan 8.360 nan 0.000 0.518 119 T N -1.770 112.814 114.554 0.049 0.000 3.044 119 T HA 0.267 4.617 4.350 -0.000 0.000 0.260 119 T C 0.730 175.445 174.700 0.024 0.000 1.019 119 T CA -0.369 61.754 62.100 0.038 0.000 0.921 119 T CB 0.079 68.963 68.868 0.028 0.000 1.053 119 T HN -0.074 nan 8.240 nan 0.000 0.533 120 V N 2.476 122.393 119.914 0.006 0.000 2.557 120 V HA 0.225 4.345 4.120 -0.000 0.000 0.301 120 V C 0.016 176.100 176.094 -0.017 0.000 1.026 120 V CA 0.389 62.663 62.300 -0.043 0.000 1.137 120 V CB 0.439 32.156 31.823 -0.177 0.000 0.917 120 V HN 0.651 nan 8.190 nan 0.000 0.484 121 Q N 3.660 123.466 119.800 0.011 0.000 2.296 121 Q HA 0.367 4.707 4.340 -0.000 0.000 0.254 121 Q C -0.265 175.768 176.000 0.055 0.000 0.936 121 Q CA -0.588 55.237 55.803 0.036 0.000 0.834 121 Q CB 1.917 30.677 28.738 0.036 0.000 1.340 121 Q HN 0.885 nan 8.270 nan 0.000 0.428 122 T N -0.123 114.472 114.554 0.067 0.000 2.766 122 T HA 0.444 4.794 4.350 -0.000 0.000 0.295 122 T C 1.255 175.988 174.700 0.054 0.000 1.024 122 T CA 0.086 62.231 62.100 0.074 0.000 1.018 122 T CB 1.084 70.001 68.868 0.081 0.000 1.002 122 T HN 0.661 nan 8.240 nan 0.000 0.532 123 A N 0.866 123.716 122.820 0.049 0.000 2.067 123 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 123 A C 1.832 179.436 177.584 0.033 0.000 1.158 123 A CA 1.371 53.431 52.037 0.039 0.000 0.661 123 A CB -0.920 18.101 19.000 0.035 0.000 0.801 123 A HN 0.957 nan 8.150 nan 0.000 0.452 124 D N -2.085 118.335 120.400 0.034 0.000 2.349 124 D HA 0.248 4.888 4.640 -0.000 0.000 0.224 124 D C 1.190 177.507 176.300 0.029 0.000 1.029 124 D CA 0.948 54.965 54.000 0.029 0.000 0.879 124 D CB -0.553 40.263 40.800 0.026 0.000 0.906 124 D HN 0.724 nan 8.370 nan 0.000 0.528 125 G N -0.510 108.310 108.800 0.034 0.000 2.195 125 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.246 125 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.246 125 G C 0.555 175.478 174.900 0.037 0.000 0.984 125 G CA 0.171 45.291 45.100 0.033 0.000 0.633 125 G HN 0.822 nan 8.290 nan 0.000 0.525 126 A N -0.064 122.780 122.820 0.040 0.000 2.406 126 A HA 0.681 5.001 4.320 -0.000 0.000 0.243 126 A C 0.466 178.080 177.584 0.051 0.000 1.082 126 A CA 0.328 52.392 52.037 0.044 0.000 0.786 126 A CB 0.307 19.334 19.000 0.044 0.000 1.029 126 A HN 0.949 nan 8.150 nan 0.000 0.495 127 L N 3.064 124.320 121.223 0.055 0.000 2.335 127 L HA 0.301 4.641 4.340 -0.000 0.000 0.268 127 L C -1.522 175.385 176.870 0.061 0.000 1.037 127 L CA -1.446 53.429 54.840 0.058 0.000 0.895 127 L CB 1.673 43.776 42.059 0.073 0.000 1.266 127 L HN 0.605 nan 8.230 nan 0.000 0.439 128 P HA -0.079 nan 4.420 nan 0.000 0.226 128 P C 1.207 178.533 177.300 0.044 0.000 1.153 128 P CA 0.943 64.085 63.100 0.071 0.000 0.777 128 P CB 0.492 32.268 31.700 0.127 0.000 0.794 129 L N -1.858 119.359 121.223 -0.009 0.000 2.416 129 L HA 0.090 4.430 4.340 -0.000 0.000 0.216 129 L C 2.395 179.329 176.870 0.106 0.000 1.098 129 L CA 0.204 54.999 54.840 -0.074 0.000 0.840 129 L CB -0.683 41.183 42.059 -0.321 0.000 0.981 129 L HN -0.059 nan 8.230 nan 0.000 0.462 130 L N 0.723 122.052 121.223 0.178 0.000 2.131 130 L HA 0.058 4.398 4.340 -0.000 0.000 0.206 130 L C 2.689 179.650 176.870 0.151 0.000 1.087 130 L CA 1.544 56.536 54.840 0.253 0.000 0.767 130 L CB -0.472 41.719 42.059 0.219 0.000 0.917 130 L HN 0.128 nan 8.230 nan 0.000 0.441 131 A N 1.084 123.969 122.820 0.109 0.000 1.896 131 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 131 A C -0.027 177.612 177.584 0.091 0.000 1.206 131 A CA 2.454 54.544 52.037 0.089 0.000 0.647 131 A CB -2.360 16.685 19.000 0.075 0.000 0.828 131 A HN 0.491 nan 8.150 nan 0.000 0.455 132 P HA -0.147 nan 4.420 nan 0.000 0.218 132 P C 1.460 178.816 177.300 0.094 0.000 1.149 132 P CA 1.206 64.360 63.100 0.090 0.000 0.817 132 P CB -0.256 31.493 31.700 0.081 0.000 0.785 133 M N -0.364 119.299 119.600 0.106 0.000 2.175 133 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 133 M C 2.114 178.445 176.300 0.052 0.000 1.063 133 M CA 1.396 56.741 55.300 0.075 0.000 1.119 133 M CB -1.854 30.771 32.600 0.042 0.000 1.377 133 M HN -0.081 nan 8.290 nan 0.000 0.415 134 S N 0.571 116.307 115.700 0.060 0.000 2.383 134 S HA -0.128 4.342 4.470 -0.000 0.000 0.227 134 S C 1.813 176.451 174.600 0.063 0.000 1.026 134 S CA 1.129 59.360 58.200 0.053 0.000 0.981 134 S CB -0.211 63.025 63.200 0.060 0.000 0.818 134 S HN 0.526 nan 8.310 nan 0.000 0.472 135 E N 0.630 120.877 120.200 0.080 0.000 2.051 135 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 135 E C 2.123 178.762 176.600 0.064 0.000 0.991 135 E CA 1.243 57.696 56.400 0.088 0.000 0.799 135 E CB -0.234 29.527 29.700 0.101 0.000 0.748 135 E HN 0.253 nan 8.360 nan 0.000 0.449 136 V N 1.405 121.357 119.914 0.063 0.000 2.270 136 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 136 V C 2.361 178.482 176.094 0.045 0.000 1.043 136 V CA 1.829 64.162 62.300 0.056 0.000 1.014 136 V CB -0.804 31.060 31.823 0.067 0.000 0.645 136 V HN 0.330 nan 8.190 nan 0.000 0.447 137 A N 0.583 123.429 122.820 0.043 0.000 1.917 137 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 137 A C 2.409 180.003 177.584 0.017 0.000 1.182 137 A CA 2.280 54.338 52.037 0.034 0.000 0.633 137 A CB -1.353 17.660 19.000 0.023 0.000 0.819 137 A HN 0.551 nan 8.150 nan 0.000 0.448 138 G N -0.795 108.016 108.800 0.018 0.000 2.433 138 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 138 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 138 G C 1.757 176.645 174.900 -0.020 0.000 1.186 138 G CA 0.894 45.994 45.100 0.000 0.000 0.779 138 G HN 0.565 nan 8.290 nan 0.000 0.543 139 R N -0.305 120.189 120.500 -0.010 0.000 2.091 139 R HA 0.040 4.380 4.340 -0.000 0.000 0.238 139 R C 2.661 178.948 176.300 -0.022 0.000 1.136 139 R CA 0.977 57.064 56.100 -0.020 0.000 0.959 139 R CB -0.485 29.813 30.300 -0.003 0.000 0.856 139 R HN 0.330 nan 8.270 nan 0.000 0.437 140 L N 0.053 121.272 121.223 -0.007 0.000 2.056 140 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 140 L C 2.691 179.529 176.870 -0.053 0.000 1.078 140 L CA 1.002 55.835 54.840 -0.011 0.000 0.749 140 L CB -0.573 41.503 42.059 0.028 0.000 0.901 140 L HN 0.237 nan 8.230 nan 0.000 0.433 141 A N 0.205 122.991 122.820 -0.056 0.000 1.940 141 A HA -0.332 3.988 4.320 -0.000 0.000 0.221 141 A C 2.471 179.994 177.584 -0.103 0.000 1.190 141 A CA 2.270 54.249 52.037 -0.097 0.000 0.647 141 A CB -0.796 18.168 19.000 -0.060 0.000 0.821 141 A HN 0.468 nan 8.150 nan 0.000 0.457 142 A N -1.059 121.717 122.820 -0.074 0.000 1.898 142 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 142 A C 2.130 179.681 177.584 -0.054 0.000 1.181 142 A CA 1.508 53.505 52.037 -0.066 0.000 0.620 142 A CB -0.522 18.438 19.000 -0.067 0.000 0.819 142 A HN 0.680 nan 8.150 nan 0.000 0.442 143 Q N -0.689 119.081 119.800 -0.050 0.000 2.079 143 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 143 Q C 2.084 178.068 176.000 -0.028 0.000 0.974 143 Q CA 1.476 57.259 55.803 -0.033 0.000 0.840 143 Q CB -0.328 28.388 28.738 -0.036 0.000 0.898 143 Q HN 0.444 nan 8.270 nan 0.000 0.430 144 V N 0.563 120.428 119.914 -0.082 0.000 2.453 144 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 144 V C 2.123 178.195 176.094 -0.037 0.000 1.048 144 V CA 1.888 64.121 62.300 -0.111 0.000 1.049 144 V CB -0.610 30.998 31.823 -0.357 0.000 0.672 144 V HN 0.511 nan 8.190 nan 0.000 0.457 145 G N -0.552 108.191 108.800 -0.094 0.000 2.404 145 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 145 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 145 G C 1.806 176.717 174.900 0.018 0.000 1.174 145 G CA 0.905 45.982 45.100 -0.038 0.000 0.780 145 G HN 0.582 nan 8.290 nan 0.000 0.537 146 A N -0.003 122.821 122.820 0.007 0.000 1.917 146 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 146 A C 2.223 179.826 177.584 0.031 0.000 1.182 146 A CA 1.913 53.959 52.037 0.014 0.000 0.633 146 A CB -0.718 18.288 19.000 0.011 0.000 0.819 146 A HN 0.526 nan 8.150 nan 0.000 0.448 147 Y N -0.560 119.688 120.300 -0.086 0.000 2.220 147 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 147 Y C 2.491 178.274 175.900 -0.196 0.000 1.129 147 Y CA 2.048 60.056 58.100 -0.153 0.000 1.161 147 Y CB -0.143 38.185 38.460 -0.219 0.000 0.997 147 Y HN 0.473 nan 8.280 nan 0.000 0.522 148 H N -0.161 118.968 119.070 0.097 0.000 2.546 148 H HA -0.020 4.536 4.556 -0.000 0.000 0.277 148 H C 2.170 177.479 175.328 -0.031 0.000 1.004 148 H CA 1.069 57.139 56.048 0.037 0.000 1.231 148 H CB 0.005 29.843 29.762 0.126 0.000 1.382 148 H HN 0.415 nan 8.280 nan 0.000 0.580 149 L N 0.393 121.634 121.223 0.029 0.000 2.275 149 L HA -0.078 4.262 4.340 -0.000 0.000 0.215 149 L C 1.010 177.845 176.870 -0.057 0.000 1.119 149 L CA 0.322 55.155 54.840 -0.011 0.000 0.790 149 L CB -0.163 41.885 42.059 -0.018 0.000 0.919 149 L HN 0.164 nan 8.230 nan 0.000 0.443 150 M N -0.402 119.118 119.600 -0.133 0.000 2.250 150 M HA -0.117 4.362 4.480 -0.000 0.000 0.337 150 M C 1.422 177.658 176.300 -0.107 0.000 1.161 150 M CA 0.375 55.577 55.300 -0.163 0.000 1.088 150 M CB 0.525 32.939 32.600 -0.310 0.000 1.639 150 M HN -0.006 nan 8.290 nan 0.000 0.447 151 R N 1.556 122.009 120.500 -0.077 0.000 2.189 151 R HA -0.080 4.260 4.340 -0.000 0.000 0.218 151 R C 1.816 178.092 176.300 -0.041 0.000 1.074 151 R CA 1.968 58.042 56.100 -0.043 0.000 0.991 151 R CB -0.321 29.959 30.300 -0.033 0.000 0.883 151 R HN 0.875 nan 8.270 nan 0.000 0.457 152 T N -1.938 112.574 114.554 -0.070 0.000 3.072 152 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 152 T C 1.100 175.776 174.700 -0.041 0.000 1.127 152 T CA 0.490 62.557 62.100 -0.055 0.000 1.107 152 T CB 0.017 68.840 68.868 -0.075 0.000 0.910 152 T HN 0.182 nan 8.240 nan 0.000 0.513 153 Q N 0.439 120.205 119.800 -0.057 0.000 2.247 153 Q HA 0.352 4.692 4.340 -0.000 0.000 0.204 153 Q C 1.635 177.697 176.000 0.102 0.000 0.872 153 Q CA 0.557 56.379 55.803 0.031 0.000 0.951 153 Q CB 0.638 29.347 28.738 -0.048 0.000 1.099 153 Q HN 0.732 nan 8.270 nan 0.000 0.501 154 G N 0.264 109.094 108.800 0.050 0.000 2.175 154 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 154 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 154 G C 0.531 175.456 174.900 0.043 0.000 0.982 154 G CA -0.086 45.045 45.100 0.052 0.000 0.641 154 G HN 0.580 nan 8.290 nan 0.000 0.527 155 G N -1.011 107.810 108.800 0.035 0.000 2.588 155 G HA2 0.484 4.443 3.960 -0.000 0.000 0.281 155 G HA3 0.484 4.443 3.960 -0.000 0.000 0.281 155 G C 0.825 175.726 174.900 0.002 0.000 1.236 155 G CA 0.372 45.486 45.100 0.023 0.000 0.969 155 G HN 0.415 nan 8.290 nan 0.000 0.504 156 R N -0.742 119.756 120.500 -0.003 0.000 2.193 156 R HA 0.058 4.398 4.340 -0.000 0.000 0.229 156 R C 1.528 177.818 176.300 -0.016 0.000 1.110 156 R CA 1.218 57.312 56.100 -0.009 0.000 0.988 156 R CB -0.298 29.995 30.300 -0.011 0.000 0.871 156 R HN 1.161 nan 8.270 nan 0.000 0.458 157 G N -0.170 108.615 108.800 -0.024 0.000 2.207 157 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 157 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 157 G C -0.625 174.256 174.900 -0.031 0.000 1.053 157 G CA -0.069 45.011 45.100 -0.033 0.000 0.764 157 G HN 0.160 nan 8.290 nan 0.000 0.495 158 V N 0.935 120.830 119.914 -0.031 0.000 2.409 158 V HA 0.639 4.759 4.120 -0.000 0.000 0.291 158 V C 0.582 176.657 176.094 -0.030 0.000 1.020 158 V CA -1.007 61.277 62.300 -0.027 0.000 0.848 158 V CB 1.655 33.464 31.823 -0.023 0.000 0.990 158 V HN 0.519 nan 8.190 nan 0.000 0.430 159 L N 5.963 127.169 121.223 -0.028 0.000 2.416 159 L HA 0.221 4.560 4.340 -0.000 0.000 0.272 159 L C 1.388 178.245 176.870 -0.021 0.000 1.161 159 L CA 0.509 55.334 54.840 -0.026 0.000 0.845 159 L CB 0.801 42.847 42.059 -0.022 0.000 1.119 159 L HN 0.609 nan 8.230 nan 0.000 0.464 160 M N 3.437 123.025 119.600 -0.021 0.000 2.088 160 M HA -0.141 4.339 4.480 -0.000 0.000 0.256 160 M C 1.528 177.817 176.300 -0.018 0.000 1.071 160 M CA 2.154 57.441 55.300 -0.021 0.000 1.097 160 M CB -1.547 31.041 32.600 -0.021 0.000 1.315 160 M HN 0.855 nan 8.290 nan 0.000 0.406 161 G N -1.221 107.569 108.800 -0.015 0.000 3.189 161 G HA2 0.403 4.362 3.960 -0.000 0.000 0.225 161 G HA3 0.403 4.362 3.960 -0.000 0.000 0.225 161 G C 0.902 175.797 174.900 -0.009 0.000 1.159 161 G CA 0.455 45.548 45.100 -0.012 0.000 0.763 161 G HN 0.765 nan 8.290 nan 0.000 0.549 162 G N -0.481 108.313 108.800 -0.011 0.000 2.574 162 G HA2 0.028 3.988 3.960 -0.000 0.000 0.295 162 G HA3 0.028 3.988 3.960 -0.000 0.000 0.295 162 G C 0.153 175.048 174.900 -0.008 0.000 1.300 162 G CA 1.128 46.222 45.100 -0.010 0.000 0.944 162 G HN 1.567 nan 8.290 nan 0.000 0.551 163 V N -4.576 115.335 119.914 -0.006 0.000 3.188 163 V HA 0.772 4.892 4.120 -0.000 0.000 0.305 163 V C -2.702 173.391 176.094 -0.003 0.000 1.232 163 V CA -1.846 60.451 62.300 -0.005 0.000 1.043 163 V CB 1.560 33.380 31.823 -0.006 0.000 1.068 163 V HN 0.802 nan 8.190 nan 0.000 0.439 164 P HA 0.308 nan 4.420 nan 0.000 0.261 164 P C 0.994 178.293 177.300 -0.001 0.000 1.173 164 P CA 2.180 65.279 63.100 -0.000 0.000 0.760 164 P CB 0.416 32.116 31.700 0.000 0.000 0.783 165 G N 1.101 109.901 108.800 -0.000 0.000 2.195 165 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.246 165 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.246 165 G C -0.079 174.819 174.900 -0.002 0.000 0.984 165 G CA -0.072 45.027 45.100 -0.001 0.000 0.633 165 G HN 0.567 nan 8.290 nan 0.000 0.525 166 V N 0.694 120.606 119.914 -0.003 0.000 2.709 166 V HA 0.537 4.657 4.120 -0.000 0.000 0.308 166 V C 0.296 176.387 176.094 -0.005 0.000 1.062 166 V CA -0.798 61.499 62.300 -0.005 0.000 0.901 166 V CB 1.943 33.762 31.823 -0.006 0.000 1.003 166 V HN 0.428 nan 8.190 nan 0.000 0.425 167 E N 5.463 125.659 120.200 -0.006 0.000 2.366 167 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 167 E C -2.324 174.271 176.600 -0.008 0.000 1.015 167 E CA -1.104 55.292 56.400 -0.006 0.000 0.906 167 E CB 0.952 30.647 29.700 -0.009 0.000 0.979 167 E HN 0.422 nan 8.360 nan 0.000 0.443 168 P HA 0.074 nan 4.420 nan 0.000 0.272 168 P C -1.228 176.065 177.300 -0.012 0.000 1.240 168 P CA -0.304 62.791 63.100 -0.008 0.000 0.791 168 P CB 0.772 32.471 31.700 -0.003 0.000 0.978 169 A N 1.183 123.994 122.820 -0.016 0.000 2.483 169 A HA 0.101 4.421 4.320 -0.000 0.000 0.238 169 A C 0.301 177.874 177.584 -0.018 0.000 1.070 169 A CA 0.258 52.283 52.037 -0.019 0.000 0.770 169 A CB -0.367 18.620 19.000 -0.023 0.000 1.008 169 A HN 0.518 nan 8.150 nan 0.000 0.497 170 D N 2.006 122.393 120.400 -0.022 0.000 2.359 170 D HA 0.424 5.064 4.640 -0.000 0.000 0.230 170 D C -1.031 175.254 176.300 -0.026 0.000 1.118 170 D CA 0.000 53.986 54.000 -0.023 0.000 0.844 170 D CB 1.068 41.851 40.800 -0.030 0.000 1.059 170 D HN 0.125 nan 8.370 nan 0.000 0.493 171 V N 4.197 124.098 119.914 -0.022 0.000 2.417 171 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 171 V C 0.196 176.277 176.094 -0.021 0.000 1.024 171 V CA -0.840 61.444 62.300 -0.028 0.000 0.861 171 V CB 1.900 33.701 31.823 -0.036 0.000 0.985 171 V HN 0.334 nan 8.190 nan 0.000 0.436 172 V N 5.683 125.584 119.914 -0.022 0.000 2.409 172 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 172 V C -0.268 175.825 176.094 -0.002 0.000 1.020 172 V CA -0.535 61.758 62.300 -0.011 0.000 0.848 172 V CB 2.024 33.839 31.823 -0.013 0.000 0.990 172 V HN 0.619 nan 8.190 nan 0.000 0.430 173 V N 6.487 126.401 119.914 0.001 0.000 2.384 173 V HA 0.468 4.588 4.120 -0.000 0.000 0.287 173 V C -0.001 176.105 176.094 0.019 0.000 1.020 173 V CA -0.441 61.863 62.300 0.005 0.000 0.850 173 V CB 1.726 33.540 31.823 -0.014 0.000 0.987 173 V HN 0.663 nan 8.190 nan 0.000 0.436 174 I N 4.831 125.421 120.570 0.033 0.000 2.301 174 I HA 0.659 4.829 4.170 -0.000 0.000 0.292 174 I C 0.795 176.920 176.117 0.012 0.000 1.046 174 I CA 0.057 61.375 61.300 0.031 0.000 1.282 174 I CB 0.805 38.843 38.000 0.065 0.000 1.409 174 I HN 0.873 nan 8.210 nan 0.000 0.484 175 G N 4.395 113.201 108.800 0.009 0.000 3.233 175 G HA2 0.115 4.075 3.960 -0.000 0.000 0.686 175 G HA3 0.115 4.075 3.960 -0.000 0.000 0.686 175 G C -0.266 174.655 174.900 0.035 0.000 1.153 175 G CA -0.307 44.800 45.100 0.012 0.000 0.853 175 G HN 0.870 nan 8.290 nan 0.000 0.582 176 A N 1.488 124.336 122.820 0.047 0.000 2.535 176 A HA 0.768 5.088 4.320 -0.000 0.000 0.273 176 A C 1.552 179.194 177.584 0.097 0.000 1.267 176 A CA 1.274 53.363 52.037 0.087 0.000 0.940 176 A CB -0.105 18.945 19.000 0.084 0.000 1.101 176 A HN 2.121 nan 8.150 nan 0.000 0.521 177 G N -0.723 108.121 108.800 0.074 0.000 2.485 177 G HA2 0.297 4.257 3.960 -0.000 0.000 0.260 177 G HA3 0.297 4.257 3.960 -0.000 0.000 0.260 177 G C 1.037 176.004 174.900 0.112 0.000 1.459 177 G CA 0.818 45.960 45.100 0.070 0.000 1.060 177 G HN 0.148 nan 8.290 nan 0.000 0.546 178 T N 0.874 115.486 114.554 0.096 0.000 2.643 178 T HA -0.070 4.280 4.350 -0.000 0.000 0.264 178 T C 2.820 177.616 174.700 0.160 0.000 1.045 178 T CA 2.075 64.256 62.100 0.135 0.000 1.155 178 T CB -0.635 68.290 68.868 0.096 0.000 0.863 178 T HN 0.581 nan 8.240 nan 0.000 0.420 179 A N 1.494 124.371 122.820 0.095 0.000 1.865 179 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 179 A C 2.638 180.258 177.584 0.060 0.000 1.191 179 A CA 2.139 54.215 52.037 0.065 0.000 0.623 179 A CB -1.533 17.486 19.000 0.032 0.000 0.826 179 A HN 0.524 nan 8.150 nan 0.000 0.444 180 G N -1.485 107.355 108.800 0.065 0.000 2.446 180 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.217 180 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.217 180 G C 1.594 176.534 174.900 0.068 0.000 1.168 180 G CA 1.451 46.582 45.100 0.052 0.000 0.771 180 G HN 0.721 nan 8.290 nan 0.000 0.551 181 Y N 1.613 121.929 120.300 0.026 0.000 2.242 181 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 181 Y C 2.556 178.483 175.900 0.046 0.000 1.137 181 Y CA 1.872 60.002 58.100 0.050 0.000 1.181 181 Y CB -0.273 38.237 38.460 0.084 0.000 0.989 181 Y HN 0.143 nan 8.280 nan 0.000 0.527 182 N N 0.530 119.180 118.700 -0.084 0.000 2.216 182 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 182 N C 1.986 177.389 175.510 -0.178 0.000 1.017 182 N CA 1.181 54.118 53.050 -0.188 0.000 0.861 182 N CB -0.308 38.189 38.487 0.015 0.000 0.986 182 N HN 0.536 nan 8.380 nan 0.000 0.428 183 A N 1.301 124.056 122.820 -0.108 0.000 1.902 183 A HA 0.006 4.325 4.320 -0.000 0.000 0.217 183 A C 2.377 179.871 177.584 -0.150 0.000 1.181 183 A CA 1.784 53.761 52.037 -0.100 0.000 0.623 183 A CB -0.656 18.308 19.000 -0.060 0.000 0.818 183 A HN 0.319 nan 8.150 nan 0.000 0.443 184 A N 0.488 123.194 122.820 -0.190 0.000 1.930 184 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 184 A C 2.178 179.533 177.584 -0.382 0.000 1.175 184 A CA 1.887 53.775 52.037 -0.250 0.000 0.627 184 A CB -0.449 18.411 19.000 -0.233 0.000 0.815 184 A HN 0.683 nan 8.150 nan 0.000 0.443 185 R N -0.462 119.762 120.500 -0.461 0.000 2.115 185 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 185 R C 1.450 177.607 176.300 -0.237 0.000 1.111 185 R CA 1.764 57.593 56.100 -0.452 0.000 0.976 185 R CB -0.352 29.744 30.300 -0.339 0.000 0.870 185 R HN 0.361 nan 8.270 nan 0.000 0.445 186 I N 1.112 121.573 120.570 -0.182 0.000 2.584 186 I HA 0.070 4.240 4.170 -0.000 0.000 0.255 186 I C 2.373 178.429 176.117 -0.103 0.000 1.145 186 I CA 1.110 62.346 61.300 -0.108 0.000 1.462 186 I CB -1.286 36.667 38.000 -0.079 0.000 1.102 186 I HN 0.382 nan 8.210 nan 0.000 0.433 187 A N 1.062 123.808 122.820 -0.124 0.000 1.930 187 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 187 A C 2.152 179.673 177.584 -0.106 0.000 1.175 187 A CA 2.018 53.996 52.037 -0.099 0.000 0.627 187 A CB -0.910 18.031 19.000 -0.099 0.000 0.815 187 A HN 0.452 nan 8.150 nan 0.000 0.443 188 N N 0.093 118.696 118.700 -0.162 0.000 2.120 188 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 188 N C 1.731 177.186 175.510 -0.092 0.000 1.024 188 N CA 1.874 54.827 53.050 -0.162 0.000 0.852 188 N CB -0.558 37.741 38.487 -0.312 0.000 1.003 188 N HN 0.294 nan 8.380 nan 0.000 0.424 189 G N -0.154 108.601 108.800 -0.075 0.000 2.470 189 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 189 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 189 G C 1.239 176.124 174.900 -0.025 0.000 1.121 189 G CA 0.582 45.666 45.100 -0.027 0.000 0.766 189 G HN 0.357 nan 8.290 nan 0.000 0.553 190 M N 0.167 119.744 119.600 -0.037 0.000 2.618 190 M HA 0.243 4.723 4.480 -0.000 0.000 0.240 190 M C 1.838 178.124 176.300 -0.024 0.000 1.123 190 M CA 0.722 56.005 55.300 -0.027 0.000 1.060 190 M CB 0.463 33.045 32.600 -0.029 0.000 1.535 190 M HN 0.326 nan 8.290 nan 0.000 0.507 191 G N 0.595 109.379 108.800 -0.027 0.000 2.175 191 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 191 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 191 G C 0.227 175.115 174.900 -0.019 0.000 0.982 191 G CA -0.049 45.040 45.100 -0.018 0.000 0.641 191 G HN 0.685 nan 8.290 nan 0.000 0.527 192 A N 0.271 123.073 122.820 -0.029 0.000 2.425 192 A HA 0.608 4.928 4.320 -0.000 0.000 0.242 192 A C 0.842 178.416 177.584 -0.015 0.000 1.077 192 A CA 1.174 53.196 52.037 -0.025 0.000 0.781 192 A CB 0.240 19.218 19.000 -0.036 0.000 1.020 192 A HN 0.872 nan 8.150 nan 0.000 0.494 193 T N 2.182 116.740 114.554 0.007 0.000 2.727 193 T HA 0.410 4.760 4.350 -0.000 0.000 0.295 193 T C -0.117 174.612 174.700 0.048 0.000 0.915 193 T CA -0.078 62.053 62.100 0.052 0.000 1.066 193 T CB -0.066 68.837 68.868 0.058 0.000 0.891 193 T HN 0.393 nan 8.240 nan 0.000 0.516 194 V N 4.417 124.365 119.914 0.057 0.000 2.435 194 V HA 0.482 4.602 4.120 -0.000 0.000 0.290 194 V C 0.403 176.552 176.094 0.091 0.000 1.030 194 V CA -0.700 61.608 62.300 0.012 0.000 0.881 194 V CB 1.822 33.592 31.823 -0.089 0.000 0.983 194 V HN 0.875 nan 8.190 nan 0.000 0.445 195 T N 4.146 118.736 114.554 0.060 0.000 2.824 195 T HA 0.591 4.941 4.350 -0.000 0.000 0.282 195 T C -0.512 174.210 174.700 0.038 0.000 0.993 195 T CA -0.395 61.755 62.100 0.082 0.000 0.967 195 T CB 1.759 70.657 68.868 0.050 0.000 0.960 195 T HN 0.335 nan 8.240 nan 0.000 0.441 196 V N 4.729 124.670 119.914 0.046 0.000 2.459 196 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 196 V C -0.467 175.652 176.094 0.041 0.000 1.029 196 V CA -0.797 61.522 62.300 0.033 0.000 0.874 196 V CB 1.417 33.261 31.823 0.036 0.000 0.985 196 V HN 0.698 nan 8.190 nan 0.000 0.438 197 L N 4.724 125.962 121.223 0.025 0.000 2.329 197 L HA 0.736 5.076 4.340 -0.000 0.000 0.279 197 L C -0.346 176.514 176.870 -0.017 0.000 1.014 197 L CA -0.086 54.760 54.840 0.009 0.000 0.814 197 L CB 1.690 43.749 42.059 0.001 0.000 1.257 197 L HN 0.611 nan 8.230 nan 0.000 0.424 198 D N 1.195 121.565 120.400 -0.051 0.000 2.654 198 D HA 0.281 4.921 4.640 -0.000 0.000 0.231 198 D C 0.146 176.319 176.300 -0.212 0.000 1.239 198 D CA -0.448 53.502 54.000 -0.082 0.000 0.790 198 D CB 2.544 43.336 40.800 -0.012 0.000 1.480 198 D HN 0.535 nan 8.370 nan 0.000 0.442 199 I N -0.473 119.947 120.570 -0.249 0.000 3.728 199 I HA 0.245 4.415 4.170 -0.000 0.000 0.307 199 I C 0.576 176.679 176.117 -0.023 0.000 1.276 199 I CA -0.092 60.977 61.300 -0.385 0.000 1.285 199 I CB 0.003 37.817 38.000 -0.310 0.000 1.038 199 I HN -0.029 nan 8.210 nan 0.000 0.445 200 N N 2.438 121.143 118.700 0.010 0.000 2.439 200 N HA 0.260 5.000 4.740 -0.000 0.000 0.243 200 N C 0.732 176.299 175.510 0.094 0.000 1.088 200 N CA 0.008 53.096 53.050 0.064 0.000 0.940 200 N CB 0.727 39.238 38.487 0.040 0.000 1.180 200 N HN 0.341 nan 8.380 nan 0.000 0.505 201 I N 1.467 122.121 120.570 0.139 0.000 2.493 201 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 201 I C 1.223 177.393 176.117 0.089 0.000 1.160 201 I CA 0.556 61.940 61.300 0.140 0.000 1.445 201 I CB 0.077 38.166 38.000 0.147 0.000 1.086 201 I HN 0.391 nan 8.210 nan 0.000 0.433 202 D N 1.351 121.793 120.400 0.069 0.000 2.144 202 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 202 D C 2.128 178.455 176.300 0.046 0.000 0.984 202 D CA 1.229 55.258 54.000 0.048 0.000 0.834 202 D CB -0.087 40.734 40.800 0.036 0.000 0.955 202 D HN 0.321 nan 8.370 nan 0.000 0.465 203 K N 0.066 120.497 120.400 0.050 0.000 2.148 203 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 203 K C 2.225 178.870 176.600 0.076 0.000 1.050 203 K CA 0.453 56.771 56.287 0.051 0.000 0.942 203 K CB 0.063 32.593 32.500 0.050 0.000 0.724 203 K HN 0.171 nan 8.250 nan 0.000 0.446 204 L N 0.092 121.366 121.223 0.084 0.000 2.131 204 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 204 L C 2.395 179.321 176.870 0.095 0.000 1.087 204 L CA 0.802 55.701 54.840 0.099 0.000 0.767 204 L CB -0.309 41.815 42.059 0.107 0.000 0.917 204 L HN 0.105 nan 8.230 nan 0.000 0.441 205 R N 0.085 120.631 120.500 0.076 0.000 2.091 205 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 205 R C 2.344 178.679 176.300 0.058 0.000 1.136 205 R CA 1.599 57.736 56.100 0.061 0.000 0.959 205 R CB -0.275 30.052 30.300 0.046 0.000 0.856 205 R HN 0.480 nan 8.270 nan 0.000 0.437 206 Q N 0.338 120.170 119.800 0.053 0.000 2.050 206 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 206 Q C 2.261 178.320 176.000 0.098 0.000 0.980 206 Q CA 1.332 57.158 55.803 0.039 0.000 0.840 206 Q CB -0.147 28.591 28.738 -0.000 0.000 0.898 206 Q HN 0.338 nan 8.270 nan 0.000 0.424 207 L N 0.503 121.830 121.223 0.173 0.000 2.017 207 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 207 L C 2.173 179.207 176.870 0.273 0.000 1.073 207 L CA 1.441 56.472 54.840 0.317 0.000 0.745 207 L CB -0.401 41.819 42.059 0.269 0.000 0.894 207 L HN 0.275 nan 8.230 nan 0.000 0.432 208 D N -0.228 120.267 120.400 0.159 0.000 2.123 208 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 208 D C 2.080 178.435 176.300 0.092 0.000 0.992 208 D CA 1.462 55.531 54.000 0.115 0.000 0.833 208 D CB 0.150 40.999 40.800 0.081 0.000 0.954 208 D HN 0.297 nan 8.370 nan 0.000 0.455 209 A N 0.062 122.919 122.820 0.062 0.000 1.897 209 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 209 A C 2.179 179.746 177.584 -0.029 0.000 1.181 209 A CA 1.494 53.540 52.037 0.015 0.000 0.620 209 A CB -0.710 18.290 19.000 -0.000 0.000 0.821 209 A HN 0.357 nan 8.150 nan 0.000 0.443 210 E N -1.219 118.943 120.200 -0.063 0.000 2.106 210 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 210 E C 0.687 176.969 176.600 -0.530 0.000 0.984 210 E CA 1.064 57.282 56.400 -0.302 0.000 0.806 210 E CB -0.107 29.360 29.700 -0.388 0.000 0.750 210 E HN 0.649 nan 8.360 nan 0.000 0.458 211 F N -0.760 119.214 119.950 0.039 0.000 2.641 211 F HA 0.212 4.739 4.527 -0.000 0.000 0.302 211 F C 0.390 176.184 175.800 -0.011 0.000 1.098 211 F CA -0.394 57.612 58.000 0.010 0.000 1.318 211 F CB 0.210 39.209 39.000 -0.003 0.000 1.035 211 F HN -0.011 nan 8.300 nan 0.000 0.551 212 C N 1.377 120.727 119.300 0.082 0.000 4.235 212 C HA -0.076 4.383 4.460 -0.000 0.000 0.301 212 C C 1.847 176.866 174.990 0.048 0.000 1.409 212 C CA 0.162 59.209 59.018 0.049 0.000 2.024 212 C CB -2.327 25.431 27.740 0.029 0.000 1.286 212 C HN 1.085 nan 8.230 nan 0.000 0.746 213 G N -0.537 108.297 108.800 0.056 0.000 2.179 213 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 213 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 213 G C 0.926 175.765 174.900 -0.101 0.000 0.977 213 G CA 1.021 46.120 45.100 -0.001 0.000 0.641 213 G HN 0.749 nan 8.290 nan 0.000 0.533 214 R N 0.020 120.494 120.500 -0.044 0.000 2.075 214 R HA 0.189 4.529 4.340 -0.000 0.000 0.232 214 R C 1.245 177.372 176.300 -0.288 0.000 1.126 214 R CA 0.890 56.913 56.100 -0.128 0.000 0.963 214 R CB -0.160 30.136 30.300 -0.006 0.000 0.858 214 R HN 0.483 nan 8.270 nan 0.000 0.435 215 I N 2.228 122.682 120.570 -0.194 0.000 2.379 215 I HA 0.045 4.215 4.170 -0.000 0.000 0.290 215 I C -0.346 175.654 176.117 -0.195 0.000 1.063 215 I CA -0.321 60.834 61.300 -0.241 0.000 1.351 215 I CB 0.813 38.632 38.000 -0.302 0.000 1.410 215 I HN 0.229 nan 8.210 nan 0.000 0.505 216 H N 3.615 122.681 119.070 -0.007 0.000 2.790 216 H HA 0.225 4.781 4.556 -0.000 0.000 0.358 216 H C 0.359 175.704 175.328 0.027 0.000 1.103 216 H CA 0.090 56.149 56.048 0.017 0.000 1.426 216 H CB 0.576 30.344 29.762 0.011 0.000 1.424 216 H HN 0.570 nan 8.280 nan 0.000 0.599 217 T N 1.450 116.103 114.554 0.166 0.000 2.861 217 T HA 0.652 5.002 4.350 -0.000 0.000 0.287 217 T C -0.360 174.416 174.700 0.126 0.000 1.003 217 T CA -1.342 60.831 62.100 0.123 0.000 0.977 217 T CB 1.745 70.679 68.868 0.110 0.000 0.996 217 T HN 0.406 nan 8.240 nan 0.000 0.448 218 R N 1.652 122.218 120.500 0.110 0.000 2.628 218 R HA 0.296 4.636 4.340 -0.000 0.000 0.288 218 R C -1.266 175.117 176.300 0.139 0.000 0.980 218 R CA -0.878 55.297 56.100 0.124 0.000 0.891 218 R CB 1.765 32.125 30.300 0.100 0.000 1.188 218 R HN 0.877 nan 8.270 nan 0.000 0.450 219 Y N 1.254 121.585 120.300 0.052 0.000 2.632 219 Y HA -0.068 4.482 4.550 -0.000 0.000 0.329 219 Y C 0.606 176.538 175.900 0.053 0.000 1.174 219 Y CA 0.951 59.080 58.100 0.048 0.000 1.469 219 Y CB 0.694 39.177 38.460 0.039 0.000 1.242 219 Y HN 0.483 nan 8.280 nan 0.000 0.540 220 S N 5.391 120.819 115.700 -0.454 0.000 2.411 220 S HA 0.326 4.796 4.470 -0.000 0.000 0.304 220 S C -0.615 173.849 174.600 -0.227 0.000 1.098 220 S CA -0.486 57.568 58.200 -0.244 0.000 1.068 220 S CB -0.755 62.313 63.200 -0.221 0.000 1.032 220 S HN 0.722 nan 8.310 nan 0.000 0.511 221 S N 3.686 119.393 115.700 0.011 0.000 2.704 221 S HA 0.749 5.219 4.470 -0.000 0.000 0.305 221 S C 1.308 175.966 174.600 0.098 0.000 1.107 221 S CA -0.460 57.795 58.200 0.091 0.000 0.993 221 S CB 1.271 64.595 63.200 0.207 0.000 1.110 221 S HN 0.683 nan 8.310 nan 0.000 0.534 222 A N 0.230 123.115 122.820 0.108 0.000 1.940 222 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 222 A C 1.805 179.469 177.584 0.133 0.000 1.176 222 A CA 1.660 53.758 52.037 0.101 0.000 0.631 222 A CB -1.280 17.777 19.000 0.095 0.000 0.814 222 A HN 0.946 nan 8.150 nan 0.000 0.446 223 Y N 0.198 120.518 120.300 0.033 0.000 2.184 223 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 223 Y C 2.423 178.337 175.900 0.024 0.000 1.129 223 Y CA 2.152 60.268 58.100 0.027 0.000 1.144 223 Y CB -0.094 38.386 38.460 0.033 0.000 0.995 223 Y HN 0.402 nan 8.280 nan 0.000 0.513 224 E N 0.611 120.979 120.200 0.280 0.000 2.106 224 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 224 E C 2.117 178.751 176.600 0.057 0.000 0.984 224 E CA 1.440 57.940 56.400 0.168 0.000 0.806 224 E CB -0.595 29.213 29.700 0.180 0.000 0.750 224 E HN 0.619 nan 8.360 nan 0.000 0.458 225 L N 0.376 121.628 121.223 0.049 0.000 2.017 225 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 225 L C 2.173 179.038 176.870 -0.009 0.000 1.073 225 L CA 1.837 56.690 54.840 0.021 0.000 0.745 225 L CB -0.239 41.838 42.059 0.031 0.000 0.894 225 L HN 0.167 nan 8.230 nan 0.000 0.432 226 E N -0.502 119.681 120.200 -0.029 0.000 2.085 226 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 226 E C 1.992 178.535 176.600 -0.095 0.000 0.994 226 E CA 1.155 57.516 56.400 -0.065 0.000 0.801 226 E CB -0.414 29.222 29.700 -0.107 0.000 0.743 226 E HN 0.717 nan 8.360 nan 0.000 0.453 227 G N 0.844 109.570 108.800 -0.123 0.000 2.402 227 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 227 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 227 G C 1.674 176.533 174.900 -0.068 0.000 1.162 227 G CA 0.741 45.769 45.100 -0.120 0.000 0.777 227 G HN 0.347 nan 8.290 nan 0.000 0.539 228 A N 0.155 122.950 122.820 -0.042 0.000 1.902 228 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 228 A C 2.578 180.139 177.584 -0.038 0.000 1.181 228 A CA 1.765 53.783 52.037 -0.032 0.000 0.623 228 A CB -0.576 18.416 19.000 -0.012 0.000 0.818 228 A HN 0.244 nan 8.150 nan 0.000 0.443 229 V N 0.137 120.028 119.914 -0.038 0.000 2.427 229 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 229 V C 2.334 178.399 176.094 -0.047 0.000 1.051 229 V CA 2.205 64.477 62.300 -0.047 0.000 1.048 229 V CB -0.642 31.152 31.823 -0.048 0.000 0.666 229 V HN 0.532 nan 8.190 nan 0.000 0.456 230 K N -0.182 120.192 120.400 -0.043 0.000 2.280 230 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 230 K C 2.126 178.704 176.600 -0.038 0.000 1.047 230 K CA 1.111 57.376 56.287 -0.036 0.000 0.942 230 K CB -0.137 32.331 32.500 -0.052 0.000 0.739 230 K HN 0.423 nan 8.250 nan 0.000 0.457 231 R N -0.087 120.387 120.500 -0.043 0.000 2.312 231 R HA 0.178 4.518 4.340 -0.000 0.000 0.205 231 R C 0.252 176.529 176.300 -0.039 0.000 0.904 231 R CA -0.171 55.904 56.100 -0.041 0.000 1.052 231 R CB 0.616 30.888 30.300 -0.046 0.000 1.014 231 R HN -0.001 nan 8.270 nan 0.000 0.503 232 A N 1.124 123.919 122.820 -0.042 0.000 2.354 232 A HA 0.123 4.443 4.320 -0.000 0.000 0.269 232 A C 0.180 177.739 177.584 -0.041 0.000 1.109 232 A CA -0.494 51.517 52.037 -0.043 0.000 0.800 232 A CB 0.531 19.501 19.000 -0.050 0.000 1.045 232 A HN 0.065 nan 8.150 nan 0.000 0.489 233 D N 0.686 121.064 120.400 -0.037 0.000 2.213 233 D HA 0.059 4.698 4.640 -0.000 0.000 0.205 233 D C 0.132 176.408 176.300 -0.040 0.000 0.961 233 D CA 0.990 54.970 54.000 -0.033 0.000 0.853 233 D CB 0.275 41.059 40.800 -0.027 0.000 0.967 233 D HN 0.371 nan 8.370 nan 0.000 0.496 234 L N 1.427 122.623 121.223 -0.045 0.000 2.409 234 L HA 0.334 4.674 4.340 -0.000 0.000 0.272 234 L C -1.445 175.391 176.870 -0.058 0.000 0.980 234 L CA -0.554 54.255 54.840 -0.050 0.000 0.826 234 L CB 2.597 44.632 42.059 -0.040 0.000 1.268 234 L HN -0.334 nan 8.230 nan 0.000 0.407 235 V N 5.836 125.702 119.914 -0.081 0.000 2.448 235 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 235 V C -0.037 176.075 176.094 0.030 0.000 1.025 235 V CA -0.390 61.875 62.300 -0.057 0.000 0.859 235 V CB 2.005 33.731 31.823 -0.162 0.000 0.988 235 V HN 0.526 nan 8.190 nan 0.000 0.431 236 I N 3.972 124.579 120.570 0.062 0.000 2.382 236 I HA 0.450 4.620 4.170 -0.000 0.000 0.285 236 I C 0.856 177.029 176.117 0.094 0.000 1.007 236 I CA -0.334 61.009 61.300 0.072 0.000 1.142 236 I CB 1.679 39.681 38.000 0.002 0.000 1.289 236 I HN 0.732 nan 8.210 nan 0.000 0.453 237 G N 4.687 113.534 108.800 0.078 0.000 2.391 237 G HA2 0.474 4.434 3.960 -0.000 0.000 0.305 237 G HA3 0.474 4.434 3.960 -0.000 0.000 0.305 237 G C 0.310 175.116 174.900 -0.157 0.000 1.072 237 G CA -0.203 44.810 45.100 -0.146 0.000 1.016 237 G HN 0.792 nan 8.290 nan 0.000 0.418 238 A N 3.284 126.058 122.820 -0.077 0.000 2.643 238 A HA 0.490 4.810 4.320 -0.000 0.000 0.295 238 A C 0.189 177.750 177.584 -0.038 0.000 1.065 238 A CA -0.219 51.787 52.037 -0.051 0.000 0.986 238 A CB 0.567 19.558 19.000 -0.016 0.000 1.212 238 A HN 0.521 nan 8.150 nan 0.000 0.516 239 V N 1.479 121.357 119.914 -0.061 0.000 2.405 239 V HA 0.247 4.367 4.120 -0.000 0.000 0.264 239 V C 0.066 176.139 176.094 -0.036 0.000 1.048 239 V CA 0.008 62.285 62.300 -0.040 0.000 0.966 239 V CB 0.943 32.741 31.823 -0.042 0.000 1.015 239 V HN 0.596 nan 8.190 nan 0.000 0.477 240 L N 8.029 129.244 121.223 -0.014 0.000 2.309 240 L HA 0.801 5.141 4.340 -0.000 0.000 0.282 240 L C -0.213 176.659 176.870 0.003 0.000 1.036 240 L CA -0.269 54.569 54.840 -0.004 0.000 0.806 240 L CB 1.577 43.642 42.059 0.011 0.000 1.220 240 L HN 0.538 nan 8.230 nan 0.000 0.429 246 A N 4.109 126.919 122.820 -0.017 0.000 2.477 246 A HA 0.436 4.756 4.320 -0.000 0.000 0.246 246 A C -1.926 175.650 177.584 -0.013 0.000 1.078 246 A CA -0.604 51.418 52.037 -0.025 0.000 0.770 246 A CB -0.449 18.520 19.000 -0.052 0.000 1.011 246 A HN 0.285 nan 8.150 nan 0.000 0.494 247 P HA 0.218 nan 4.420 nan 0.000 0.274 247 P C -0.994 176.318 177.300 0.019 0.000 1.237 247 P CA -0.304 62.801 63.100 0.009 0.000 0.793 247 P CB 0.643 32.350 31.700 0.011 0.000 0.977 248 K N 2.247 122.673 120.400 0.043 0.000 2.257 248 K HA 0.209 4.528 4.320 -0.000 0.000 0.270 248 K C 0.374 177.034 176.600 0.099 0.000 1.098 248 K CA -0.507 55.828 56.287 0.080 0.000 0.943 248 K CB 0.515 33.070 32.500 0.091 0.000 1.316 248 K HN 0.256 nan 8.250 nan 0.000 0.447 249 L N 2.201 123.497 121.223 0.121 0.000 2.416 249 L HA 0.055 4.394 4.340 -0.000 0.000 0.216 249 L C 0.433 177.391 176.870 0.147 0.000 1.098 249 L CA 0.672 55.581 54.840 0.116 0.000 0.840 249 L CB 0.568 42.686 42.059 0.098 0.000 0.981 249 L HN 0.233 nan 8.230 nan 0.000 0.462 250 V N 0.316 120.367 119.914 0.228 0.000 2.304 250 V HA 0.346 4.466 4.120 -0.000 0.000 0.278 250 V C 0.346 176.551 176.094 0.185 0.000 1.018 250 V CA -0.772 61.637 62.300 0.182 0.000 0.814 250 V CB 0.937 32.834 31.823 0.123 0.000 1.021 250 V HN 0.293 nan 8.190 nan 0.000 0.440 251 S N 3.615 119.394 115.700 0.132 0.000 2.593 251 S HA 0.200 4.670 4.470 -0.000 0.000 0.269 251 S C 1.035 175.716 174.600 0.136 0.000 1.334 251 S CA -0.390 57.886 58.200 0.127 0.000 1.015 251 S CB 0.810 64.066 63.200 0.093 0.000 0.912 251 S HN 0.584 nan 8.310 nan 0.000 0.541 252 N N 1.613 120.395 118.700 0.137 0.000 2.223 252 N HA -0.064 4.676 4.740 -0.000 0.000 0.185 252 N C 1.839 177.440 175.510 0.150 0.000 1.016 252 N CA 1.342 54.491 53.050 0.166 0.000 0.863 252 N CB -0.941 37.626 38.487 0.133 0.000 0.983 252 N HN 0.661 nan 8.380 nan 0.000 0.429 253 S N 0.973 116.721 115.700 0.080 0.000 2.374 253 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 253 S C 1.835 176.428 174.600 -0.012 0.000 1.037 253 S CA 0.792 58.993 58.200 0.001 0.000 1.024 253 S CB -0.306 62.919 63.200 0.042 0.000 0.861 253 S HN 0.261 nan 8.310 nan 0.000 0.456 254 L N 1.669 122.926 121.223 0.057 0.000 2.072 254 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 254 L C 2.129 179.019 176.870 0.034 0.000 1.079 254 L CA 1.402 56.288 54.840 0.076 0.000 0.752 254 L CB -0.713 41.381 42.059 0.059 0.000 0.906 254 L HN 0.123 nan 8.230 nan 0.000 0.436 255 V N 0.349 120.291 119.914 0.047 0.000 2.490 255 V HA -0.276 3.843 4.120 -0.000 0.000 0.250 255 V C 2.792 178.867 176.094 -0.032 0.000 1.061 255 V CA 1.476 63.819 62.300 0.072 0.000 1.064 255 V CB -1.311 30.642 31.823 0.217 0.000 0.670 255 V HN 0.609 nan 8.190 nan 0.000 0.461 256 A N -0.974 121.687 122.820 -0.265 0.000 2.019 256 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 256 A C 1.846 179.167 177.584 -0.439 0.000 1.164 256 A CA 1.704 53.358 52.037 -0.639 0.000 0.644 256 A CB -0.705 17.701 19.000 -0.989 0.000 0.805 256 A HN 0.738 nan 8.150 nan 0.000 0.449 257 H N -1.629 117.361 119.070 -0.132 0.000 2.539 257 H HA 0.328 4.884 4.556 -0.000 0.000 0.269 257 H C 0.564 175.851 175.328 -0.069 0.000 0.980 257 H CA -0.393 55.599 56.048 -0.093 0.000 1.152 257 H CB 0.011 29.724 29.762 -0.082 0.000 1.407 257 H HN 0.407 nan 8.280 nan 0.000 0.564 258 M N 0.854 120.466 119.600 0.021 0.000 2.202 258 M HA 0.100 4.580 4.480 -0.000 0.000 0.316 258 M C 0.310 176.610 176.300 -0.001 0.000 1.138 258 M CA 0.005 55.308 55.300 0.005 0.000 1.151 258 M CB 0.802 33.396 32.600 -0.009 0.000 1.422 258 M HN 0.064 nan 8.290 nan 0.000 0.471 259 K N 1.734 122.130 120.400 -0.008 0.000 2.451 259 K HA 0.137 4.457 4.320 -0.000 0.000 0.280 259 K C -2.354 174.243 176.600 -0.004 0.000 1.020 259 K CA -1.275 55.008 56.287 -0.008 0.000 1.008 259 K CB -0.398 32.093 32.500 -0.014 0.000 0.917 259 K HN 0.234 nan 8.250 nan 0.000 0.478 260 P HA -0.074 nan 4.420 nan 0.000 0.264 260 P C 0.651 177.953 177.300 0.003 0.000 1.193 260 P CA 0.749 63.851 63.100 0.004 0.000 0.763 260 P CB 0.568 32.269 31.700 0.002 0.000 0.810 261 G N 1.954 110.760 108.800 0.010 0.000 2.179 261 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 261 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 261 G C 0.491 175.394 174.900 0.005 0.000 0.977 261 G CA 0.000 45.106 45.100 0.010 0.000 0.641 261 G HN 0.857 nan 8.290 nan 0.000 0.533 262 A N -0.273 122.546 122.820 -0.003 0.000 2.561 262 A HA 0.513 4.833 4.320 -0.000 0.000 0.234 262 A C 0.667 178.239 177.584 -0.021 0.000 1.055 262 A CA 0.921 52.946 52.037 -0.020 0.000 0.756 262 A CB 0.571 19.550 19.000 -0.035 0.000 0.986 262 A HN 1.237 nan 8.150 nan 0.000 0.505 263 V N 4.011 123.904 119.914 -0.036 0.000 2.427 263 V HA 0.336 4.456 4.120 -0.000 0.000 0.286 263 V C -0.066 175.952 176.094 -0.127 0.000 1.034 263 V CA -0.500 61.774 62.300 -0.044 0.000 0.893 263 V CB 1.263 33.088 31.823 0.003 0.000 0.982 263 V HN 0.668 nan 8.190 nan 0.000 0.452 264 L N 5.576 126.663 121.223 -0.227 0.000 2.305 264 L HA 0.557 4.897 4.340 -0.000 0.000 0.284 264 L C -0.510 176.282 176.870 -0.131 0.000 1.013 264 L CA -0.507 54.092 54.840 -0.401 0.000 0.819 264 L CB 1.673 43.030 42.059 -1.169 0.000 1.227 264 L HN 0.348 nan 8.230 nan 0.000 0.417 265 V N 2.623 122.574 119.914 0.062 0.000 2.328 265 V HA 0.223 4.343 4.120 -0.000 0.000 0.278 265 V C -0.171 175.998 176.094 0.125 0.000 1.021 265 V CA -0.487 61.874 62.300 0.100 0.000 0.838 265 V CB 1.899 33.701 31.823 -0.034 0.000 0.999 265 V HN 0.591 nan 8.190 nan 0.000 0.447 266 D N 4.635 125.070 120.400 0.058 0.000 2.456 266 D HA 0.352 4.992 4.640 -0.000 0.000 0.219 266 D C 1.000 177.225 176.300 -0.124 0.000 1.126 266 D CA -0.175 53.672 54.000 -0.254 0.000 0.890 266 D CB 1.117 41.698 40.800 -0.365 0.000 1.025 266 D HN 0.461 nan 8.370 nan 0.000 0.511 267 I N 1.853 122.347 120.570 -0.126 0.000 2.546 267 I HA -0.113 4.057 4.170 -0.000 0.000 0.255 267 I C 1.999 178.056 176.117 -0.100 0.000 1.163 267 I CA 0.347 61.604 61.300 -0.072 0.000 1.457 267 I CB -0.035 37.933 38.000 -0.053 0.000 1.092 267 I HN 0.336 nan 8.210 nan 0.000 0.434 268 A N 0.952 123.676 122.820 -0.160 0.000 2.250 268 A HA 0.022 4.342 4.320 -0.000 0.000 0.208 268 A C 2.051 179.559 177.584 -0.128 0.000 1.254 268 A CA 0.360 52.313 52.037 -0.140 0.000 0.858 268 A CB -0.687 18.212 19.000 -0.167 0.000 0.820 268 A HN 0.294 nan 8.150 nan 0.000 0.484 269 I N -0.045 120.456 120.570 -0.116 0.000 2.493 269 I HA -0.135 4.035 4.170 -0.000 0.000 0.254 269 I C 1.379 177.439 176.117 -0.095 0.000 1.160 269 I CA 1.367 62.613 61.300 -0.090 0.000 1.445 269 I CB -0.575 37.387 38.000 -0.064 0.000 1.086 269 I HN 0.284 nan 8.210 nan 0.000 0.433 270 D N 1.259 121.590 120.400 -0.115 0.000 2.390 270 D HA -0.114 4.526 4.640 -0.000 0.000 0.235 270 D C 0.859 177.072 176.300 -0.145 0.000 1.040 270 D CA 0.441 54.342 54.000 -0.165 0.000 0.923 270 D CB 0.134 40.812 40.800 -0.202 0.000 0.886 270 D HN 0.578 nan 8.370 nan 0.000 0.532 271 Q N -2.684 117.059 119.800 -0.095 0.000 2.556 271 Q HA 0.387 4.727 4.340 -0.000 0.000 0.301 271 Q C 0.719 176.690 176.000 -0.049 0.000 0.768 271 Q CA -0.028 55.737 55.803 -0.063 0.000 1.054 271 Q CB 0.129 28.843 28.738 -0.040 0.000 1.425 271 Q HN -0.017 nan 8.270 nan 0.000 0.378 272 G N -0.271 108.500 108.800 -0.050 0.000 2.232 272 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.226 272 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.226 272 G C 0.556 175.439 174.900 -0.027 0.000 0.996 272 G CA -0.116 44.967 45.100 -0.030 0.000 0.626 272 G HN 1.519 nan 8.290 nan 0.000 0.509 273 G N -1.812 106.949 108.800 -0.065 0.000 2.721 273 G HA2 0.198 4.158 3.960 -0.000 0.000 0.686 273 G HA3 0.198 4.158 3.960 -0.000 0.000 0.686 273 G C 1.065 175.884 174.900 -0.134 0.000 1.236 273 G CA 0.693 45.725 45.100 -0.113 0.000 0.786 273 G HN 2.086 nan 8.290 nan 0.000 0.616 274 C N 0.130 119.250 119.300 -0.300 0.000 2.906 274 C HA 0.703 5.163 4.460 -0.000 0.000 0.274 274 C C 0.927 175.870 174.990 -0.079 0.000 1.257 274 C CA -0.972 57.914 59.018 -0.219 0.000 1.695 274 C CB -1.766 25.834 27.740 -0.233 0.000 1.958 274 C HN 0.529 nan 8.230 nan 0.000 0.619 275 F N 1.415 121.402 119.950 0.063 0.000 2.443 275 F HA 0.362 4.889 4.527 -0.000 0.000 0.335 275 F C 1.689 177.604 175.800 0.192 0.000 1.104 275 F CA -0.759 57.321 58.000 0.133 0.000 1.013 275 F CB 0.959 40.052 39.000 0.156 0.000 1.136 275 F HN 0.113 nan 8.300 nan 0.000 0.470 276 E N 2.329 122.749 120.200 0.367 0.000 2.130 276 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 276 E C 1.986 178.730 176.600 0.241 0.000 0.998 276 E CA 1.428 57.968 56.400 0.234 0.000 0.806 276 E CB -0.102 29.700 29.700 0.170 0.000 0.738 276 E HN 0.942 nan 8.360 nan 0.000 0.459 277 G N 0.013 109.022 108.800 0.349 0.000 2.985 277 G HA2 0.005 3.965 3.960 -0.000 0.000 0.209 277 G HA3 0.005 3.965 3.960 -0.000 0.000 0.209 277 G C 0.248 175.362 174.900 0.356 0.000 1.165 277 G CA -0.154 45.044 45.100 0.164 0.000 0.776 277 G HN 0.048 nan 8.290 nan 0.000 0.541 278 S N 0.524 116.573 115.700 0.582 0.000 2.531 278 S HA 0.497 4.967 4.470 -0.000 0.000 0.279 278 S C 0.081 174.868 174.600 0.311 0.000 1.305 278 S CA -0.219 58.334 58.200 0.589 0.000 1.058 278 S CB 0.846 64.280 63.200 0.390 0.000 0.899 278 S HN 0.651 nan 8.310 nan 0.000 0.493 279 R N 1.761 122.442 120.500 0.301 0.000 2.564 279 R HA 0.569 4.908 4.340 -0.000 0.000 0.284 279 R C -3.570 172.770 176.300 0.066 0.000 1.031 279 R CA -2.099 54.033 56.100 0.055 0.000 0.904 279 R CB -0.369 29.848 30.300 -0.139 0.000 1.199 279 R HN 0.210 nan 8.270 nan 0.000 0.443 280 P HA 0.014 nan 4.420 nan 0.000 0.264 280 P C -0.412 176.868 177.300 -0.035 0.000 1.183 280 P CA 0.147 63.236 63.100 -0.019 0.000 0.763 280 P CB 0.674 32.343 31.700 -0.051 0.000 0.807 281 T N -0.679 113.836 114.554 -0.064 0.000 2.922 281 T HA 0.755 5.105 4.350 -0.000 0.000 0.281 281 T C 0.090 174.676 174.700 -0.189 0.000 1.005 281 T CA -0.645 61.396 62.100 -0.098 0.000 0.982 281 T CB 1.211 70.027 68.868 -0.086 0.000 1.158 281 T HN 0.450 nan 8.240 nan 0.000 0.566 282 T N -2.017 112.438 114.554 -0.166 0.000 2.910 282 T HA 0.461 4.811 4.350 -0.000 0.000 0.287 282 T C 0.324 174.875 174.700 -0.248 0.000 1.050 282 T CA -0.825 61.152 62.100 -0.205 0.000 1.011 282 T CB 0.713 69.554 68.868 -0.046 0.000 1.195 282 T HN 0.509 nan 8.240 nan 0.000 0.540 283 Y N 0.352 120.627 120.300 -0.042 0.000 2.274 283 Y HA -0.040 4.510 4.550 -0.000 0.000 0.290 283 Y C 2.343 178.216 175.900 -0.045 0.000 1.145 283 Y CA 1.413 59.503 58.100 -0.018 0.000 1.203 283 Y CB -0.379 38.097 38.460 0.026 0.000 0.984 283 Y HN 0.616 nan 8.280 nan 0.000 0.533 284 D N -1.581 118.818 120.400 -0.001 0.000 2.183 284 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 284 D C 0.332 176.388 176.300 -0.407 0.000 0.969 284 D CA 1.289 55.149 54.000 -0.233 0.000 0.842 284 D CB -0.124 40.449 40.800 -0.379 0.000 0.957 284 D HN 0.410 nan 8.370 nan 0.000 0.484 285 H N -0.164 118.926 119.070 0.035 0.000 2.348 285 H HA 0.183 4.739 4.556 -0.000 0.000 0.232 285 H C -1.615 173.693 175.328 -0.033 0.000 1.419 285 H CA -1.350 54.710 56.048 0.021 0.000 1.416 285 H CB 1.364 31.135 29.762 0.016 0.000 1.510 285 H HN 0.090 nan 8.280 nan 0.000 0.507 286 P HA -0.090 nan 4.420 nan 0.000 0.219 286 P C 0.728 177.855 177.300 -0.289 0.000 1.150 286 P CA 1.005 63.952 63.100 -0.256 0.000 0.814 286 P CB 0.571 32.147 31.700 -0.208 0.000 0.787 287 T N -2.317 112.186 114.554 -0.084 0.000 2.906 287 T HA 0.650 5.000 4.350 -0.000 0.000 0.295 287 T C -0.711 174.054 174.700 0.108 0.000 1.061 287 T CA -0.863 61.192 62.100 -0.075 0.000 1.000 287 T CB 1.904 70.683 68.868 -0.148 0.000 1.103 287 T HN 0.063 nan 8.240 nan 0.000 0.486 288 F N -0.657 119.301 119.950 0.013 0.000 2.664 288 F HA 0.912 5.439 4.527 -0.000 0.000 0.317 288 F C -0.664 175.126 175.800 -0.017 0.000 1.108 288 F CA -1.834 56.156 58.000 -0.017 0.000 0.957 288 F CB 0.926 39.891 39.000 -0.058 0.000 1.365 288 F HN 0.860 nan 8.300 nan 0.000 0.475 289 A N 1.330 124.232 122.820 0.135 0.000 2.309 289 A HA 0.667 4.987 4.320 -0.000 0.000 0.298 289 A C -0.873 176.677 177.584 -0.057 0.000 1.165 289 A CA -0.326 51.711 52.037 -0.000 0.000 0.821 289 A CB 0.960 19.969 19.000 0.015 0.000 1.102 289 A HN 1.786 nan 8.150 nan 0.000 0.500 290 V N 4.448 124.235 119.914 -0.212 0.000 2.483 290 V HA 0.614 4.734 4.120 -0.000 0.000 0.297 290 V C 0.379 176.373 176.094 -0.166 0.000 1.027 290 V CA -0.280 61.823 62.300 -0.328 0.000 0.855 290 V CB 0.138 31.559 31.823 -0.670 0.000 0.995 290 V HN 1.151 nan 8.190 nan 0.000 0.424 291 H N 3.699 122.716 119.070 -0.088 0.000 1.452 291 H HA -0.200 4.356 4.556 -0.000 0.000 0.090 291 H C 0.041 175.345 175.328 -0.041 0.000 1.001 291 H CA 1.790 57.800 56.048 -0.062 0.000 1.901 291 H CB -0.886 28.835 29.762 -0.069 0.000 2.257 291 H HN 0.871 nan 8.280 nan 0.000 0.961 292 D N 1.680 122.152 120.400 0.121 0.000 2.460 292 D HA 0.205 4.845 4.640 -0.000 0.000 0.229 292 D C 0.187 176.514 176.300 0.045 0.000 1.170 292 D CA 0.378 54.410 54.000 0.054 0.000 0.827 292 D CB 0.344 41.163 40.800 0.032 0.000 0.973 292 D HN 0.128 nan 8.370 nan 0.000 0.496 293 T N 0.295 114.884 114.554 0.058 0.000 2.930 293 T HA 0.521 4.871 4.350 -0.000 0.000 0.290 293 T C -0.641 174.101 174.700 0.070 0.000 1.052 293 T CA -0.518 61.624 62.100 0.070 0.000 1.017 293 T CB 1.991 70.932 68.868 0.122 0.000 1.137 293 T HN -0.059 nan 8.240 nan 0.000 0.511 294 L N 2.825 124.094 121.223 0.076 0.000 2.305 294 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 294 L C -1.280 175.642 176.870 0.088 0.000 1.013 294 L CA -0.732 54.136 54.840 0.047 0.000 0.819 294 L CB 0.715 42.791 42.059 0.030 0.000 1.227 294 L HN 0.536 nan 8.230 nan 0.000 0.417 295 F N 3.500 123.189 119.950 -0.435 0.000 2.408 295 F HA 0.286 4.813 4.527 -0.000 0.000 0.344 295 F C -0.229 175.342 175.800 -0.382 0.000 1.112 295 F CA -0.575 57.130 58.000 -0.493 0.000 1.096 295 F CB 1.055 39.488 39.000 -0.944 0.000 1.129 295 F HN 0.255 nan 8.300 nan 0.000 0.486 296 Y N 3.115 123.313 120.300 -0.171 0.000 2.328 296 Y HA 0.469 5.019 4.550 -0.000 0.000 0.337 296 Y C -0.636 175.235 175.900 -0.048 0.000 0.966 296 Y CA -0.791 57.225 58.100 -0.139 0.000 1.136 296 Y CB 0.957 39.323 38.460 -0.156 0.000 1.170 296 Y HN 0.606 nan 8.280 nan 0.000 0.470 297 C N 6.794 125.995 119.300 -0.165 0.000 3.206 297 C HA 0.285 4.745 4.460 -0.000 0.000 0.206 297 C C -0.068 174.808 174.990 -0.190 0.000 1.836 297 C CA -1.039 57.958 59.018 -0.035 0.000 1.382 297 C CB -1.462 26.359 27.740 0.135 0.000 2.405 297 C HN 0.728 nan 8.230 nan 0.000 0.516 298 V N 1.417 121.076 119.914 -0.427 0.000 2.555 298 V HA 0.745 4.864 4.120 -0.000 0.000 0.286 298 V C 0.575 176.535 176.094 -0.223 0.000 1.044 298 V CA 0.347 62.397 62.300 -0.417 0.000 1.026 298 V CB 0.712 32.096 31.823 -0.732 0.000 0.981 298 V HN 0.703 nan 8.190 nan 0.000 0.480 299 A N 4.992 127.684 122.820 -0.214 0.000 2.425 299 A HA 0.382 4.702 4.320 -0.000 0.000 0.242 299 A C 0.924 178.454 177.584 -0.091 0.000 1.077 299 A CA 0.220 52.179 52.037 -0.131 0.000 0.781 299 A CB -0.368 18.564 19.000 -0.113 0.000 1.020 299 A HN 1.583 nan 8.150 nan 0.000 0.494 300 N N 0.491 119.163 118.700 -0.046 0.000 2.727 300 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 300 N C 0.778 176.364 175.510 0.127 0.000 1.048 300 N CA 1.288 54.350 53.050 0.021 0.000 0.714 300 N CB -1.355 37.161 38.487 0.049 0.000 0.959 300 N HN 0.798 nan 8.380 nan 0.000 0.544 301 M N -0.229 119.433 119.600 0.104 0.000 2.103 301 M HA -0.195 4.284 4.480 -0.000 0.000 0.255 301 M C -0.730 175.695 176.300 0.208 0.000 1.074 301 M CA 2.499 57.915 55.300 0.193 0.000 1.090 301 M CB -1.072 31.619 32.600 0.150 0.000 1.325 301 M HN 0.116 nan 8.290 nan 0.000 0.403 302 P HA -0.075 nan 4.420 nan 0.000 0.225 302 P C 0.825 178.213 177.300 0.146 0.000 1.148 302 P CA 1.545 64.718 63.100 0.120 0.000 0.779 302 P CB -0.278 31.472 31.700 0.083 0.000 0.780 303 A N 0.413 123.339 122.820 0.177 0.000 2.070 303 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 303 A C 2.310 179.998 177.584 0.172 0.000 1.159 303 A CA 1.880 54.023 52.037 0.177 0.000 0.656 303 A CB -1.495 17.599 19.000 0.157 0.000 0.800 303 A HN 0.356 nan 8.150 nan 0.000 0.453 304 S N -0.238 115.551 115.700 0.148 0.000 2.474 304 S HA -0.013 4.457 4.470 -0.000 0.000 0.235 304 S C 0.787 175.413 174.600 0.043 0.000 0.997 304 S CA 1.026 59.249 58.200 0.038 0.000 0.949 304 S CB -0.820 62.469 63.200 0.149 0.000 0.766 304 S HN 1.012 nan 8.310 nan 0.000 0.517 305 V N -1.709 118.250 119.914 0.075 0.000 2.446 305 V HA 0.466 4.586 4.120 -0.000 0.000 0.257 305 V C -1.873 174.260 176.094 0.064 0.000 1.036 305 V CA -1.791 60.535 62.300 0.043 0.000 1.196 305 V CB 0.433 32.280 31.823 0.041 0.000 1.446 305 V HN 0.057 nan 8.190 nan 0.000 0.558 306 P HA -0.189 nan 4.420 nan 0.000 0.216 306 P C 1.580 178.949 177.300 0.116 0.000 1.150 306 P CA 1.467 64.635 63.100 0.113 0.000 0.837 306 P CB 0.478 32.250 31.700 0.120 0.000 0.786 307 K N -0.410 120.036 120.400 0.077 0.000 2.026 307 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 307 K C 2.067 178.754 176.600 0.144 0.000 1.048 307 K CA 1.980 58.332 56.287 0.108 0.000 0.929 307 K CB -0.588 31.921 32.500 0.014 0.000 0.713 307 K HN 0.118 nan 8.250 nan 0.000 0.439 308 T N 0.430 115.032 114.554 0.080 0.000 2.708 308 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 308 T C 2.057 176.845 174.700 0.147 0.000 1.037 308 T CA 1.656 63.808 62.100 0.088 0.000 1.146 308 T CB -0.146 68.752 68.868 0.051 0.000 0.865 308 T HN 0.179 nan 8.240 nan 0.000 0.435 309 S N 0.980 116.761 115.700 0.136 0.000 2.387 309 S HA -0.065 4.405 4.470 -0.000 0.000 0.226 309 S C 2.400 177.084 174.600 0.140 0.000 1.026 309 S CA 1.009 59.288 58.200 0.133 0.000 0.972 309 S CB -0.600 62.675 63.200 0.126 0.000 0.814 309 S HN 0.482 nan 8.310 nan 0.000 0.477 310 T N 1.196 115.841 114.554 0.152 0.000 2.684 310 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 310 T C 1.465 176.177 174.700 0.019 0.000 1.036 310 T CA 1.455 63.608 62.100 0.089 0.000 1.148 310 T CB -0.420 68.497 68.868 0.082 0.000 0.863 310 T HN 0.433 nan 8.240 nan 0.000 0.436 311 Y N 1.133 121.459 120.300 0.043 0.000 2.163 311 Y HA 0.013 4.562 4.550 -0.000 0.000 0.288 311 Y C 2.701 178.618 175.900 0.029 0.000 1.136 311 Y CA 0.873 58.992 58.100 0.032 0.000 1.147 311 Y CB -0.630 37.843 38.460 0.022 0.000 0.987 311 Y HN 0.185 nan 8.280 nan 0.000 0.509 312 A N -0.216 122.714 122.820 0.182 0.000 1.908 312 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 312 A C 2.150 179.773 177.584 0.066 0.000 1.181 312 A CA 1.918 54.024 52.037 0.114 0.000 0.627 312 A CB -1.070 17.994 19.000 0.107 0.000 0.818 312 A HN 0.438 nan 8.150 nan 0.000 0.445 313 L N 0.283 121.536 121.223 0.050 0.000 2.005 313 L HA -0.094 4.245 4.340 -0.000 0.000 0.207 313 L C 2.758 179.562 176.870 -0.109 0.000 1.072 313 L CA 3.058 57.889 54.840 -0.016 0.000 0.744 313 L CB -1.126 40.950 42.059 0.029 0.000 0.895 313 L HN 0.551 nan 8.230 nan 0.000 0.433 314 T N -3.799 110.701 114.554 -0.089 0.000 2.962 314 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 314 T C 1.686 176.349 174.700 -0.061 0.000 1.088 314 T CA 1.517 63.550 62.100 -0.111 0.000 1.127 314 T CB -0.967 67.830 68.868 -0.119 0.000 0.883 314 T HN 0.505 nan 8.240 nan 0.000 0.493 315 N N 1.387 120.078 118.700 -0.015 0.000 2.244 315 N HA 0.063 4.803 4.740 -0.000 0.000 0.183 315 N C 2.200 177.722 175.510 0.019 0.000 1.016 315 N CA 0.855 53.918 53.050 0.022 0.000 0.866 315 N CB -0.218 38.306 38.487 0.063 0.000 0.980 315 N HN 0.570 nan 8.380 nan 0.000 0.430 316 A N 0.751 123.573 122.820 0.004 0.000 1.898 316 A HA -0.091 4.228 4.320 -0.000 0.000 0.214 316 A C 2.358 179.976 177.584 0.058 0.000 1.183 316 A CA 1.656 53.710 52.037 0.028 0.000 0.622 316 A CB -0.911 18.090 19.000 0.001 0.000 0.824 316 A HN 0.412 nan 8.150 nan 0.000 0.444 317 T N -3.455 111.055 114.554 -0.074 0.000 2.951 317 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 317 T C 1.761 176.545 174.700 0.139 0.000 1.073 317 T CA 1.555 63.625 62.100 -0.051 0.000 1.134 317 T CB -0.353 68.236 68.868 -0.465 0.000 0.884 317 T HN 0.103 nan 8.240 nan 0.000 0.479 318 M N 3.262 122.893 119.600 0.052 0.000 2.088 318 M HA -0.015 4.465 4.480 -0.000 0.000 0.256 318 M C -0.926 175.402 176.300 0.047 0.000 1.071 318 M CA 1.323 56.653 55.300 0.049 0.000 1.097 318 M CB -1.376 31.235 32.600 0.018 0.000 1.315 318 M HN 0.200 nan 8.290 nan 0.000 0.406 319 P HA -0.170 nan 4.420 nan 0.000 0.218 319 P C 1.161 178.359 177.300 -0.171 0.000 1.149 319 P CA 1.667 64.687 63.100 -0.133 0.000 0.817 319 P CB -0.387 31.160 31.700 -0.254 0.000 0.785 320 Y N -0.056 120.305 120.300 0.102 0.000 2.200 320 Y HA -0.130 4.420 4.550 0.000 0.000 0.290 320 Y C 2.741 178.710 175.900 0.115 0.000 1.137 320 Y CA 0.658 58.837 58.100 0.131 0.000 1.163 320 Y CB -1.554 37.075 38.460 0.282 0.000 0.988 320 Y HN -0.283 nan 8.280 nan 0.000 0.518 321 V N 0.603 120.731 119.914 0.358 0.000 2.252 321 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 321 V C 2.302 178.427 176.094 0.051 0.000 1.056 321 V CA 2.050 64.484 62.300 0.224 0.000 1.022 321 V CB -0.892 31.044 31.823 0.189 0.000 0.641 321 V HN 0.409 nan 8.190 nan 0.000 0.445 322 L N -0.492 120.749 121.223 0.030 0.000 2.042 322 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 322 L C 2.717 179.561 176.870 -0.043 0.000 1.076 322 L CA 1.491 56.321 54.840 -0.017 0.000 0.749 322 L CB -0.731 41.329 42.059 0.002 0.000 0.893 322 L HN 0.331 nan 8.230 nan 0.000 0.432 323 E N 0.162 120.360 120.200 -0.003 0.000 2.106 323 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 323 E C 2.369 178.978 176.600 0.014 0.000 0.984 323 E CA 1.025 57.453 56.400 0.047 0.000 0.806 323 E CB -0.208 29.541 29.700 0.082 0.000 0.750 323 E HN 0.488 nan 8.360 nan 0.000 0.458 324 L N 0.368 121.578 121.223 -0.021 0.000 2.056 324 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 324 L C 2.499 179.306 176.870 -0.104 0.000 1.078 324 L CA 1.098 55.909 54.840 -0.049 0.000 0.749 324 L CB -0.439 41.559 42.059 -0.102 0.000 0.901 324 L HN 0.054 nan 8.230 nan 0.000 0.433 325 A N -0.179 122.520 122.820 -0.201 0.000 1.877 325 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 325 A C 1.921 179.300 177.584 -0.341 0.000 1.186 325 A CA 2.065 53.839 52.037 -0.438 0.000 0.620 325 A CB -0.540 17.962 19.000 -0.829 0.000 0.822 325 A HN 0.344 nan 8.150 nan 0.000 0.443 326 D N -1.300 118.944 120.400 -0.261 0.000 2.144 326 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 326 D C 1.229 177.226 176.300 -0.504 0.000 0.978 326 D CA 1.241 55.025 54.000 -0.361 0.000 0.833 326 D CB -0.172 40.204 40.800 -0.707 0.000 0.961 326 D HN 0.632 nan 8.370 nan 0.000 0.470 327 H N -1.407 117.661 119.070 -0.004 0.000 3.058 327 H HA 0.415 4.971 4.556 -0.000 0.000 0.266 327 H C 1.182 176.470 175.328 -0.066 0.000 1.135 327 H CA 0.566 56.595 56.048 -0.031 0.000 1.174 327 H CB 0.882 30.620 29.762 -0.040 0.000 1.581 327 H HN 0.084 nan 8.280 nan 0.000 0.553 328 G N 1.411 110.222 108.800 0.018 0.000 2.814 328 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.677 328 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.677 328 G C 0.987 175.873 174.900 -0.023 0.000 1.429 328 G CA -0.091 45.000 45.100 -0.014 0.000 0.868 328 G HN 0.444 nan 8.290 nan 0.000 0.553 329 W N 0.959 122.227 121.300 -0.052 0.000 2.381 329 W HA -0.031 4.629 4.660 -0.000 0.000 0.301 329 W C 1.982 178.452 176.519 -0.081 0.000 1.205 329 W CA 1.315 58.608 57.345 -0.087 0.000 1.285 329 W CB -0.573 28.826 29.460 -0.103 0.000 1.133 329 W HN 0.771 nan 8.180 nan 0.000 0.521 330 R N 1.462 121.306 120.500 -1.093 0.000 2.062 330 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 330 R C 2.684 178.738 176.300 -0.409 0.000 1.136 330 R CA 2.269 57.750 56.100 -1.033 0.000 0.948 330 R CB -0.688 28.857 30.300 -1.258 0.000 0.845 330 R HN 0.159 nan 8.270 nan 0.000 0.430 331 A N 0.674 123.305 122.820 -0.314 0.000 1.898 331 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 331 A C 2.342 179.866 177.584 -0.100 0.000 1.181 331 A CA 1.543 53.474 52.037 -0.176 0.000 0.620 331 A CB -0.759 18.160 19.000 -0.136 0.000 0.819 331 A HN 0.534 nan 8.150 nan 0.000 0.442 332 A N -0.856 121.942 122.820 -0.037 0.000 1.883 332 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 332 A C 2.302 179.897 177.584 0.020 0.000 1.186 332 A CA 1.853 53.904 52.037 0.023 0.000 0.624 332 A CB -1.318 17.717 19.000 0.058 0.000 0.822 332 A HN 0.607 nan 8.150 nan 0.000 0.444 333 C N -1.465 117.847 119.300 0.020 0.000 2.435 333 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 333 C C 2.787 177.786 174.990 0.015 0.000 1.321 333 C CA 0.760 59.807 59.018 0.049 0.000 1.752 333 C CB -1.344 26.468 27.740 0.119 0.000 1.959 333 C HN 0.603 nan 8.230 nan 0.000 0.500 334 R N 0.776 121.255 120.500 -0.036 0.000 2.096 334 R HA -0.153 4.187 4.340 -0.000 0.000 0.240 334 R C 2.299 178.578 176.300 -0.034 0.000 1.139 334 R CA 1.951 58.022 56.100 -0.049 0.000 0.952 334 R CB -0.384 29.861 30.300 -0.092 0.000 0.854 334 R HN 0.455 nan 8.270 nan 0.000 0.436 335 S N -0.352 115.323 115.700 -0.041 0.000 2.436 335 S HA -0.044 4.425 4.470 -0.000 0.000 0.228 335 S C 0.604 175.202 174.600 -0.004 0.000 1.014 335 S CA 0.394 58.570 58.200 -0.040 0.000 0.950 335 S CB -0.046 63.110 63.200 -0.073 0.000 0.784 335 S HN 0.342 nan 8.310 nan 0.000 0.504 336 N N 0.690 119.406 118.700 0.027 0.000 2.617 336 N HA 0.242 4.982 4.740 -0.000 0.000 0.263 336 N C -2.696 172.861 175.510 0.078 0.000 1.074 336 N CA -1.897 51.193 53.050 0.066 0.000 0.841 336 N CB 1.560 40.115 38.487 0.113 0.000 1.221 336 N HN -0.138 nan 8.380 nan 0.000 0.529 337 P HA -0.086 nan 4.420 nan 0.000 0.220 337 P C 0.999 178.345 177.300 0.075 0.000 1.148 337 P CA 0.740 63.877 63.100 0.061 0.000 0.803 337 P CB 0.300 32.029 31.700 0.049 0.000 0.782 338 A N -0.164 122.716 122.820 0.101 0.000 1.883 338 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 338 A C 2.226 179.857 177.584 0.077 0.000 1.186 338 A CA 1.322 53.422 52.037 0.106 0.000 0.624 338 A CB -1.647 17.454 19.000 0.168 0.000 0.822 338 A HN 0.144 nan 8.150 nan 0.000 0.444 339 L N -0.773 120.527 121.223 0.129 0.000 2.046 339 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 339 L C 2.941 179.838 176.870 0.044 0.000 1.077 339 L CA 1.496 56.377 54.840 0.068 0.000 0.747 339 L CB -0.532 41.619 42.059 0.155 0.000 0.896 339 L HN 0.464 nan 8.230 nan 0.000 0.432 340 A N -0.415 122.445 122.820 0.066 0.000 1.972 340 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 340 A C 2.173 179.793 177.584 0.060 0.000 1.169 340 A CA 1.478 53.556 52.037 0.069 0.000 0.635 340 A CB -0.352 18.691 19.000 0.072 0.000 0.810 340 A HN 0.379 nan 8.150 nan 0.000 0.446 341 K N -0.825 119.606 120.400 0.052 0.000 2.362 341 K HA -0.083 4.237 4.320 -0.000 0.000 0.200 341 K C 1.771 178.394 176.600 0.038 0.000 1.046 341 K CA 0.821 57.136 56.287 0.047 0.000 0.952 341 K CB -0.232 32.293 32.500 0.041 0.000 0.753 341 K HN 0.494 nan 8.250 nan 0.000 0.466 342 G N 0.814 109.633 108.800 0.032 0.000 2.777 342 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.211 342 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.211 342 G C 0.491 175.404 174.900 0.022 0.000 1.149 342 G CA -0.302 44.818 45.100 0.034 0.000 0.785 342 G HN 0.082 nan 8.290 nan 0.000 0.536 343 L N 1.491 122.726 121.223 0.019 0.000 2.559 343 L HA 0.064 4.404 4.340 -0.000 0.000 0.274 343 L C 1.222 178.089 176.870 -0.004 0.000 1.205 343 L CA -0.139 54.696 54.840 -0.007 0.000 0.907 343 L CB 1.253 43.324 42.059 0.019 0.000 1.153 343 L HN 0.095 nan 8.230 nan 0.000 0.490 344 S N -0.326 115.350 115.700 -0.039 0.000 2.931 344 S HA 0.136 4.606 4.470 -0.000 0.000 0.251 344 S C 0.260 174.842 174.600 -0.030 0.000 1.078 344 S CA 0.354 58.542 58.200 -0.020 0.000 0.835 344 S CB 0.908 64.090 63.200 -0.029 0.000 0.798 344 S HN 0.828 nan 8.310 nan 0.000 0.495 345 T N -0.374 114.134 114.554 -0.078 0.000 2.883 345 T HA 0.703 5.053 4.350 -0.000 0.000 0.301 345 T C -1.548 173.084 174.700 -0.113 0.000 1.158 345 T CA -0.543 61.507 62.100 -0.084 0.000 1.007 345 T CB 2.303 71.112 68.868 -0.098 0.000 1.186 345 T HN 0.244 nan 8.240 nan 0.000 0.499 346 H N 0.045 118.980 119.070 -0.225 0.000 3.188 346 H HA 0.319 4.875 4.556 -0.000 0.000 0.325 346 H C -0.610 174.615 175.328 -0.173 0.000 1.033 346 H CA -0.176 55.704 56.048 -0.280 0.000 1.443 346 H CB 0.794 30.332 29.762 -0.373 0.000 1.968 346 H HN 0.980 nan 8.280 nan 0.000 0.449 347 E N 3.768 123.549 120.200 -0.698 0.000 2.269 347 E HA -0.271 4.079 4.350 -0.000 0.000 0.223 347 E C 0.939 177.359 176.600 -0.301 0.000 1.244 347 E CA 1.088 57.151 56.400 -0.562 0.000 0.713 347 E CB -1.342 28.076 29.700 -0.470 0.000 1.178 347 E HN 1.198 nan 8.360 nan 0.000 0.370 348 G N -1.507 107.141 108.800 -0.253 0.000 2.199 348 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 348 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 348 G C 0.308 175.149 174.900 -0.098 0.000 0.982 348 G CA 0.188 45.194 45.100 -0.156 0.000 0.632 348 G HN 0.978 nan 8.290 nan 0.000 0.529 349 A N 0.438 123.206 122.820 -0.086 0.000 2.309 349 A HA 0.747 5.067 4.320 -0.000 0.000 0.298 349 A C 0.209 177.776 177.584 -0.028 0.000 1.165 349 A CA -0.340 51.671 52.037 -0.044 0.000 0.821 349 A CB 0.877 19.865 19.000 -0.021 0.000 1.102 349 A HN 0.919 nan 8.150 nan 0.000 0.500 350 L N 3.698 124.921 121.223 0.001 0.000 2.264 350 L HA 0.371 4.710 4.340 -0.000 0.000 0.289 350 L C -0.112 176.831 176.870 0.121 0.000 1.044 350 L CA -0.339 54.531 54.840 0.049 0.000 0.807 350 L CB 1.042 43.144 42.059 0.073 0.000 1.192 350 L HN 0.841 nan 8.230 nan 0.000 0.425 351 L N 3.092 124.394 121.223 0.133 0.000 2.766 351 L HA 0.193 4.533 4.340 -0.000 0.000 0.242 351 L C 0.657 177.737 176.870 0.350 0.000 1.136 351 L CA 0.164 55.115 54.840 0.184 0.000 0.933 351 L CB 0.637 42.742 42.059 0.076 0.000 1.241 351 L HN 0.503 nan 8.230 nan 0.000 0.522 352 S N 0.027 115.887 115.700 0.267 0.000 2.474 352 S HA 0.158 4.628 4.470 -0.000 0.000 0.321 352 S C 0.851 175.412 174.600 -0.066 0.000 1.080 352 S CA -0.583 57.686 58.200 0.115 0.000 1.106 352 S CB 1.585 64.811 63.200 0.043 0.000 0.984 352 S HN 0.323 nan 8.310 nan 0.000 0.464 353 E N 3.933 123.844 120.200 -0.482 0.000 2.106 353 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 353 E C 2.006 178.383 176.600 -0.373 0.000 0.984 353 E CA 0.927 56.779 56.400 -0.913 0.000 0.806 353 E CB 0.025 29.032 29.700 -1.155 0.000 0.750 353 E HN 0.780 nan 8.360 nan 0.000 0.458 354 R N -0.119 120.254 120.500 -0.213 0.000 2.081 354 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 354 R C 2.126 178.384 176.300 -0.070 0.000 1.131 354 R CA 1.524 57.557 56.100 -0.112 0.000 0.960 354 R CB -0.169 30.093 30.300 -0.064 0.000 0.856 354 R HN 0.074 nan 8.270 nan 0.000 0.436 355 V N 0.960 120.846 119.914 -0.048 0.000 2.358 355 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 355 V C 2.458 178.546 176.094 -0.010 0.000 1.047 355 V CA 1.788 64.080 62.300 -0.014 0.000 1.035 355 V CB -0.780 31.047 31.823 0.006 0.000 0.658 355 V HN 0.564 nan 8.190 nan 0.000 0.452 356 A N 0.738 123.553 122.820 -0.008 0.000 1.940 356 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 356 A C 2.500 180.084 177.584 -0.001 0.000 1.176 356 A CA 2.761 54.813 52.037 0.026 0.000 0.631 356 A CB -0.919 18.143 19.000 0.104 0.000 0.814 356 A HN 0.639 nan 8.150 nan 0.000 0.446 357 T N -3.102 111.426 114.554 -0.043 0.000 3.014 357 T HA -0.054 4.296 4.350 -0.000 0.000 0.263 357 T C 1.291 175.979 174.700 -0.020 0.000 1.078 357 T CA 1.354 63.433 62.100 -0.034 0.000 1.135 357 T CB -0.328 68.505 68.868 -0.058 0.000 0.895 357 T HN 0.292 nan 8.240 nan 0.000 0.480 358 D N 1.410 121.798 120.400 -0.020 0.000 2.144 358 D HA 0.065 4.705 4.640 -0.000 0.000 0.200 358 D C 1.809 178.107 176.300 -0.003 0.000 0.978 358 D CA 0.865 54.859 54.000 -0.010 0.000 0.833 358 D CB -0.141 40.656 40.800 -0.006 0.000 0.961 358 D HN 0.419 nan 8.370 nan 0.000 0.470 359 L N -0.839 120.384 121.223 -0.001 0.000 2.607 359 L HA 0.251 4.591 4.340 -0.000 0.000 0.228 359 L C 1.067 177.939 176.870 0.004 0.000 1.123 359 L CA 0.130 54.971 54.840 0.002 0.000 0.890 359 L CB 0.077 42.138 42.059 0.003 0.000 1.103 359 L HN 0.041 nan 8.230 nan 0.000 0.468 360 G N 1.474 110.278 108.800 0.007 0.000 2.295 360 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.287 360 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.287 360 G C -0.189 174.721 174.900 0.016 0.000 1.055 360 G CA 0.161 45.267 45.100 0.011 0.000 0.922 360 G HN 0.134 nan 8.290 nan 0.000 0.503 361 V N 0.345 120.274 119.914 0.025 0.000 2.628 361 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 361 V C -1.679 174.451 176.094 0.061 0.000 1.045 361 V CA -1.925 60.394 62.300 0.032 0.000 0.905 361 V CB 2.070 33.908 31.823 0.026 0.000 0.997 361 V HN 0.161 nan 8.190 nan 0.000 0.436 362 P HA 0.021 nan 4.420 nan 0.000 0.262 362 P C -0.891 176.490 177.300 0.135 0.000 1.182 362 P CA 0.170 63.316 63.100 0.077 0.000 0.761 362 P CB 0.080 31.800 31.700 0.033 0.000 0.795 363 F N 3.623 123.573 119.950 -0.000 0.000 2.408 363 F HA 0.402 4.929 4.527 -0.000 0.000 0.344 363 F C -0.235 175.570 175.800 0.007 0.000 1.112 363 F CA -0.226 57.775 58.000 0.002 0.000 1.096 363 F CB 0.764 39.767 39.000 0.005 0.000 1.129 363 F HN 0.098 nan 8.300 nan 0.000 0.486 364 T N 5.390 119.595 114.554 -0.581 0.000 2.779 364 T HA 0.192 4.542 4.350 -0.000 0.000 0.280 364 T C -0.698 173.387 174.700 -1.024 0.000 0.987 364 T CA -0.489 61.231 62.100 -0.633 0.000 0.966 364 T CB 1.006 69.729 68.868 -0.241 0.000 0.933 364 T HN 0.587 nan 8.240 nan 0.000 0.442 365 E N 4.258 123.917 120.200 -0.903 0.000 2.366 365 E HA 0.146 4.496 4.350 -0.000 0.000 0.266 365 E C -1.620 174.868 176.600 -0.187 0.000 1.015 365 E CA -1.768 54.285 56.400 -0.579 0.000 0.906 365 E CB 0.832 30.380 29.700 -0.255 0.000 0.979 365 E HN 0.207 nan 8.360 nan 0.000 0.443 366 P HA -0.241 nan 4.420 nan 0.000 0.216 366 P C 0.718 178.044 177.300 0.044 0.000 1.153 366 P CA 1.885 65.017 63.100 0.052 0.000 0.858 366 P CB 0.094 31.860 31.700 0.110 0.000 0.789 367 A N 0.225 123.065 122.820 0.034 0.000 1.948 367 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 367 A C 2.358 179.948 177.584 0.010 0.000 1.177 367 A CA 2.548 54.599 52.037 0.024 0.000 0.636 367 A CB -1.665 17.348 19.000 0.022 0.000 0.815 367 A HN 0.386 nan 8.150 nan 0.000 0.449 368 S N -1.532 114.163 115.700 -0.008 0.000 2.489 368 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 368 S C 1.541 176.155 174.600 0.024 0.000 0.995 368 S CA 1.055 59.251 58.200 -0.007 0.000 0.934 368 S CB -0.036 63.143 63.200 -0.036 0.000 0.771 368 S HN 0.313 nan 8.310 nan 0.000 0.522 369 V N 0.769 120.715 119.914 0.053 0.000 3.307 369 V HA 0.354 4.474 4.120 -0.000 0.000 0.253 369 V C 1.759 177.921 176.094 0.112 0.000 1.149 369 V CA 0.578 62.951 62.300 0.122 0.000 1.112 369 V CB -0.183 31.737 31.823 0.162 0.000 0.777 369 V HN 0.536 nan 8.190 nan 0.000 0.464 370 L N 0.269 121.526 121.223 0.058 0.000 2.554 370 L HA 0.322 4.662 4.340 -0.000 0.000 0.226 370 L C 0.985 177.820 176.870 -0.060 0.000 1.137 370 L CA 0.558 55.380 54.840 -0.029 0.000 0.863 370 L CB -0.271 41.786 42.059 -0.004 0.000 0.985 370 L HN 0.379 nan 8.230 nan 0.000 0.451 371 A N 0.000 122.806 122.820 -0.023 0.000 2.254 371 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 371 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 371 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486