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 1kp8_1_I DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.430 124.250 122.820 0.000 0.000 2.561 3 A HA 0.500 4.820 4.320 -0.000 0.000 0.234 3 A C 0.266 177.852 177.584 0.004 0.000 1.055 3 A CA 0.524 52.565 52.037 0.007 0.000 0.756 3 A CB -0.078 18.929 19.000 0.012 0.000 0.986 3 A HN 0.632 nan 8.150 nan 0.000 0.505 4 K N 1.079 121.487 120.400 0.013 0.000 2.238 4 K HA 0.448 4.768 4.320 -0.000 0.000 0.239 4 K C -1.167 175.461 176.600 0.046 0.000 0.987 4 K CA -0.721 55.573 56.287 0.012 0.000 0.857 4 K CB 1.559 34.064 32.500 0.008 0.000 1.154 4 K HN 0.735 nan 8.250 nan 0.000 0.439 5 D N 0.957 121.397 120.400 0.067 0.000 2.278 5 D HA 0.369 5.009 4.640 -0.000 0.000 0.245 5 D C -1.279 175.174 176.300 0.256 0.000 1.052 5 D CA -0.567 53.540 54.000 0.178 0.000 0.834 5 D CB 1.365 42.317 40.800 0.254 0.000 1.194 5 D HN 0.045 nan 8.370 nan 0.000 0.481 6 V N 4.286 124.312 119.914 0.185 0.000 2.487 6 V HA 0.444 4.564 4.120 -0.000 0.000 0.298 6 V C 0.035 176.087 176.094 -0.070 0.000 1.028 6 V CA -0.785 61.547 62.300 0.054 0.000 0.860 6 V CB 1.817 33.630 31.823 -0.017 0.000 0.991 6 V HN 0.383 nan 8.190 nan 0.000 0.427 7 K N 3.888 124.134 120.400 -0.257 0.000 2.318 7 K HA 0.770 5.090 4.320 -0.000 0.000 0.249 7 K C -1.541 174.816 176.600 -0.405 0.000 0.942 7 K CA -0.474 55.614 56.287 -0.332 0.000 0.808 7 K CB 2.502 34.596 32.500 -0.676 0.000 1.189 7 K HN 0.463 nan 8.250 nan 0.000 0.428 8 F N -0.213 119.683 119.950 -0.090 0.000 2.598 8 F HA 0.408 4.934 4.527 -0.000 0.000 0.327 8 F C 1.349 177.116 175.800 -0.055 0.000 1.057 8 F CA -0.161 57.809 58.000 -0.049 0.000 0.957 8 F CB 1.585 40.567 39.000 -0.031 0.000 1.278 8 F HN 0.809 nan 8.300 nan 0.000 0.484 9 G N 1.614 110.521 108.800 0.178 0.000 2.684 9 G HA2 -0.436 3.523 3.960 -0.000 0.000 0.342 9 G HA3 -0.436 3.523 3.960 -0.000 0.000 0.342 9 G C 1.273 176.194 174.900 0.034 0.000 1.316 9 G CA 0.993 46.145 45.100 0.085 0.000 0.994 9 G HN 0.703 nan 8.290 nan 0.000 0.541 10 N N 0.939 119.652 118.700 0.021 0.000 2.060 10 N HA -0.146 4.594 4.740 -0.000 0.000 0.195 10 N C 1.824 177.321 175.510 -0.021 0.000 1.028 10 N CA 2.063 55.114 53.050 0.000 0.000 0.861 10 N CB -0.466 38.020 38.487 -0.001 0.000 1.029 10 N HN 0.542 nan 8.380 nan 0.000 0.428 11 D N 0.558 120.939 120.400 -0.032 0.000 2.104 11 D HA -0.112 4.528 4.640 -0.000 0.000 0.194 11 D C 1.833 178.049 176.300 -0.139 0.000 0.994 11 D CA 1.279 55.227 54.000 -0.086 0.000 0.830 11 D CB -0.433 40.307 40.800 -0.100 0.000 0.959 11 D HN 0.308 nan 8.370 nan 0.000 0.452 12 A N 0.681 123.423 122.820 -0.129 0.000 1.873 12 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 12 A C 2.411 179.966 177.584 -0.049 0.000 1.186 12 A CA 2.132 54.089 52.037 -0.132 0.000 0.616 12 A CB -1.160 17.786 19.000 -0.090 0.000 0.823 12 A HN 0.301 nan 8.150 nan 0.000 0.442 13 G N -0.005 108.781 108.800 -0.025 0.000 2.440 13 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.218 13 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.218 13 G C 1.651 176.548 174.900 -0.004 0.000 1.154 13 G CA 2.227 47.324 45.100 -0.005 0.000 0.767 13 G HN 1.071 nan 8.290 nan 0.000 0.552 14 V N -1.325 118.580 119.914 -0.015 0.000 2.427 14 V HA -0.037 4.083 4.120 -0.000 0.000 0.248 14 V C 2.518 178.612 176.094 -0.000 0.000 1.051 14 V CA 2.066 64.360 62.300 -0.009 0.000 1.048 14 V CB -0.461 31.352 31.823 -0.016 0.000 0.666 14 V HN 0.090 nan 8.190 nan 0.000 0.456 15 K N 0.212 120.609 120.400 -0.006 0.000 2.002 15 K HA 0.001 4.320 4.320 -0.000 0.000 0.209 15 K C 2.265 178.897 176.600 0.054 0.000 1.048 15 K CA 2.116 58.424 56.287 0.035 0.000 0.930 15 K CB -0.624 31.909 32.500 0.056 0.000 0.714 15 K HN 0.520 nan 8.250 nan 0.000 0.438 16 M N 0.397 120.026 119.600 0.048 0.000 2.080 16 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 16 M C 2.252 178.570 176.300 0.030 0.000 1.068 16 M CA 1.226 56.554 55.300 0.045 0.000 1.109 16 M CB -0.400 32.223 32.600 0.038 0.000 1.342 16 M HN 0.031 nan 8.290 nan 0.000 0.405 17 L N 0.556 121.792 121.223 0.021 0.000 2.012 17 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 17 L C 2.499 179.379 176.870 0.016 0.000 1.073 17 L CA 1.962 56.812 54.840 0.016 0.000 0.748 17 L CB -0.724 41.341 42.059 0.011 0.000 0.891 17 L HN 0.157 nan 8.230 nan 0.000 0.431 18 R N -0.014 120.497 120.500 0.019 0.000 2.091 18 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 18 R C 2.162 178.474 176.300 0.019 0.000 1.136 18 R CA 1.806 57.917 56.100 0.018 0.000 0.959 18 R CB -1.423 28.889 30.300 0.021 0.000 0.856 18 R HN 0.473 nan 8.270 nan 0.000 0.437 19 G N -0.099 108.716 108.800 0.026 0.000 2.433 19 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 19 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 19 G C 1.480 176.388 174.900 0.015 0.000 1.186 19 G CA 1.220 46.333 45.100 0.022 0.000 0.779 19 G HN 0.382 nan 8.290 nan 0.000 0.543 20 V N 0.217 120.141 119.914 0.016 0.000 2.594 20 V HA -0.129 3.991 4.120 -0.000 0.000 0.253 20 V C 2.196 178.296 176.094 0.009 0.000 1.069 20 V CA 2.352 64.659 62.300 0.011 0.000 1.082 20 V CB -0.555 31.276 31.823 0.013 0.000 0.680 20 V HN 0.217 nan 8.190 nan 0.000 0.469 21 N N 0.781 119.487 118.700 0.009 0.000 2.188 21 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 21 N C 1.793 177.306 175.510 0.005 0.000 1.018 21 N CA 1.767 54.821 53.050 0.007 0.000 0.858 21 N CB -0.430 38.062 38.487 0.007 0.000 0.989 21 N HN 0.518 nan 8.380 nan 0.000 0.426 22 V N 1.429 121.346 119.914 0.005 0.000 2.358 22 V HA -0.159 3.960 4.120 -0.000 0.000 0.246 22 V C 2.371 178.465 176.094 -0.000 0.000 1.047 22 V CA 1.004 63.306 62.300 0.002 0.000 1.035 22 V CB -0.519 31.306 31.823 0.003 0.000 0.658 22 V HN 0.191 nan 8.190 nan 0.000 0.452 23 L N 0.935 122.158 121.223 0.000 0.000 2.005 23 L HA -0.059 4.280 4.340 -0.000 0.000 0.207 23 L C 2.467 179.336 176.870 -0.002 0.000 1.072 23 L CA 2.449 57.287 54.840 -0.003 0.000 0.744 23 L CB -0.844 41.213 42.059 -0.003 0.000 0.895 23 L HN 0.188 nan 8.230 nan 0.000 0.433 24 A N -0.719 122.102 122.820 0.001 0.000 1.933 24 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 24 A C 1.959 179.543 177.584 0.000 0.000 1.175 24 A CA 1.945 53.983 52.037 0.001 0.000 0.628 24 A CB -0.905 18.098 19.000 0.004 0.000 0.814 24 A HN 0.590 nan 8.150 nan 0.000 0.444 25 D N -0.057 120.343 120.400 0.000 0.000 2.178 25 D HA 0.014 4.654 4.640 -0.000 0.000 0.202 25 D C 2.158 178.457 176.300 -0.002 0.000 0.974 25 D CA 1.361 55.361 54.000 -0.001 0.000 0.841 25 D CB -0.334 40.466 40.800 -0.000 0.000 0.953 25 D HN 0.437 nan 8.370 nan 0.000 0.478 26 A N 0.341 123.158 122.820 -0.004 0.000 1.929 26 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 26 A C 2.447 180.027 177.584 -0.006 0.000 1.176 26 A CA 0.868 52.901 52.037 -0.006 0.000 0.628 26 A CB -0.494 18.502 19.000 -0.007 0.000 0.816 26 A HN 0.133 nan 8.150 nan 0.000 0.444 27 V N 1.309 121.220 119.914 -0.006 0.000 2.346 27 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 27 V C 2.519 178.610 176.094 -0.005 0.000 1.037 27 V CA 2.146 64.442 62.300 -0.007 0.000 1.029 27 V CB -0.664 31.155 31.823 -0.007 0.000 0.663 27 V HN 0.838 nan 8.190 nan 0.000 0.454 28 K N 1.545 121.944 120.400 -0.003 0.000 2.360 28 K HA -0.109 4.210 4.320 -0.000 0.000 0.201 28 K C 1.796 178.395 176.600 -0.002 0.000 1.046 28 K CA 1.737 58.023 56.287 -0.002 0.000 0.945 28 K CB -0.647 31.853 32.500 0.000 0.000 0.750 28 K HN 0.496 nan 8.250 nan 0.000 0.464 29 V N -0.057 119.855 119.914 -0.003 0.000 3.141 29 V HA -0.103 4.017 4.120 -0.000 0.000 0.265 29 V C 1.974 178.066 176.094 -0.004 0.000 1.126 29 V CA 1.623 63.921 62.300 -0.003 0.000 1.141 29 V CB -0.979 30.841 31.823 -0.004 0.000 0.743 29 V HN 0.537 nan 8.190 nan 0.000 0.492 30 T N -2.220 112.331 114.554 -0.005 0.000 3.107 30 T HA 0.299 4.649 4.350 -0.000 0.000 0.249 30 T C 0.471 175.167 174.700 -0.006 0.000 1.096 30 T CA -0.116 61.980 62.100 -0.007 0.000 1.012 30 T CB -0.147 68.716 68.868 -0.009 0.000 0.977 30 T HN 0.390 nan 8.240 nan 0.000 0.527 31 L N 2.680 123.901 121.223 -0.004 0.000 2.410 31 L HA 0.562 4.902 4.340 -0.000 0.000 0.273 31 L C 0.768 177.637 176.870 -0.001 0.000 1.152 31 L CA 1.509 56.348 54.840 -0.002 0.000 0.855 31 L CB -0.431 41.629 42.059 0.001 0.000 1.129 31 L HN 0.656 nan 8.230 nan 0.000 0.463 32 G N 4.431 113.229 108.800 -0.003 0.000 2.795 32 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.664 32 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.664 32 G C -1.727 173.168 174.900 -0.009 0.000 1.381 32 G CA -0.328 44.769 45.100 -0.005 0.000 0.853 32 G HN 0.632 nan 8.290 nan 0.000 0.545 33 P HA -0.086 nan 4.420 nan 0.000 0.218 33 P C 0.906 178.196 177.300 -0.016 0.000 1.146 33 P CA 1.482 64.570 63.100 -0.021 0.000 0.813 33 P CB 0.080 31.759 31.700 -0.035 0.000 0.778 34 K N 0.050 120.446 120.400 -0.008 0.000 2.576 34 K HA 0.254 4.574 4.320 -0.000 0.000 0.209 34 K C 1.015 177.614 176.600 -0.002 0.000 1.049 34 K CA -0.222 56.062 56.287 -0.004 0.000 1.140 34 K CB 0.307 32.810 32.500 0.004 0.000 0.871 34 K HN 0.059 nan 8.250 nan 0.000 0.479 35 G N 1.676 110.473 108.800 -0.004 0.000 2.414 35 G HA2 0.017 3.977 3.960 -0.000 0.000 0.236 35 G HA3 0.017 3.977 3.960 -0.000 0.000 0.236 35 G C 0.184 175.082 174.900 -0.005 0.000 1.293 35 G CA -0.291 44.807 45.100 -0.004 0.000 0.869 35 G HN 0.077 nan 8.290 nan 0.000 0.556 36 R N 1.057 121.554 120.500 -0.004 0.000 2.553 36 R HA 0.213 4.553 4.340 -0.000 0.000 0.263 36 R C 0.147 176.444 176.300 -0.006 0.000 1.066 36 R CA -0.778 55.320 56.100 -0.004 0.000 1.135 36 R CB 0.406 30.704 30.300 -0.003 0.000 1.148 36 R HN 0.652 nan 8.270 nan 0.000 0.558 37 N N -0.851 117.846 118.700 -0.006 0.000 2.530 37 N HA 0.294 5.033 4.740 -0.000 0.000 0.277 37 N C -0.905 174.601 175.510 -0.007 0.000 1.168 37 N CA -0.369 52.677 53.050 -0.007 0.000 0.979 37 N CB 1.181 39.665 38.487 -0.006 0.000 1.141 37 N HN 0.085 nan 8.380 nan 0.000 0.459 38 V N 1.860 121.769 119.914 -0.008 0.000 2.540 38 V HA 0.348 4.468 4.120 -0.000 0.000 0.302 38 V C -0.445 175.643 176.094 -0.009 0.000 1.035 38 V CA -0.803 61.492 62.300 -0.009 0.000 0.873 38 V CB 1.872 33.689 31.823 -0.010 0.000 0.992 38 V HN 0.317 nan 8.190 nan 0.000 0.428 39 V N 6.267 126.175 119.914 -0.009 0.000 2.370 39 V HA 0.462 4.582 4.120 -0.000 0.000 0.279 39 V C -0.230 175.857 176.094 -0.013 0.000 1.029 39 V CA -0.416 61.878 62.300 -0.010 0.000 0.870 39 V CB 1.304 33.122 31.823 -0.009 0.000 0.984 39 V HN 0.619 nan 8.190 nan 0.000 0.451 40 L N 3.809 125.024 121.223 -0.014 0.000 2.280 40 L HA 0.521 4.860 4.340 -0.000 0.000 0.287 40 L C 0.041 176.898 176.870 -0.021 0.000 1.023 40 L CA -0.599 54.231 54.840 -0.018 0.000 0.819 40 L CB 1.404 43.453 42.059 -0.018 0.000 1.212 40 L HN 0.490 nan 8.230 nan 0.000 0.420 41 D N 3.333 123.717 120.400 -0.026 0.000 2.400 41 D HA 0.173 4.813 4.640 -0.000 0.000 0.238 41 D C -0.376 175.898 176.300 -0.043 0.000 1.157 41 D CA 0.435 54.415 54.000 -0.033 0.000 0.889 41 D CB 0.980 41.756 40.800 -0.040 0.000 1.199 41 D HN 0.381 nan 8.370 nan 0.000 0.436 42 K N 0.045 120.416 120.400 -0.050 0.000 2.328 42 K HA 0.224 4.543 4.320 -0.000 0.000 0.246 42 K C 1.083 177.603 176.600 -0.134 0.000 0.955 42 K CA -0.593 55.656 56.287 -0.065 0.000 0.817 42 K CB 1.677 34.165 32.500 -0.020 0.000 1.208 42 K HN 0.374 nan 8.250 nan 0.000 0.432 43 S N 0.719 116.274 115.700 -0.242 0.000 2.402 43 S HA 0.006 4.476 4.470 -0.000 0.000 0.229 43 S C 0.325 174.501 174.600 -0.707 0.000 1.021 43 S CA 0.698 58.581 58.200 -0.528 0.000 0.974 43 S CB -0.158 62.594 63.200 -0.746 0.000 0.800 43 S HN 0.369 nan 8.310 nan 0.000 0.484 44 F N 1.170 121.116 119.950 -0.006 0.000 2.556 44 F HA 0.697 5.224 4.527 -0.000 0.000 0.314 44 F C 0.934 176.730 175.800 -0.006 0.000 1.106 44 F CA -0.318 57.678 58.000 -0.006 0.000 0.911 44 F CB 1.510 40.507 39.000 -0.005 0.000 1.190 44 F HN 0.409 nan 8.300 nan 0.000 0.448 45 G N 1.018 109.934 108.800 0.194 0.000 2.632 45 G HA2 0.272 4.231 3.960 -0.000 0.000 0.224 45 G HA3 0.272 4.231 3.960 -0.000 0.000 0.224 45 G C -0.622 174.312 174.900 0.058 0.000 1.341 45 G CA -0.549 44.613 45.100 0.103 0.000 0.880 45 G HN 1.233 nan 8.290 nan 0.000 0.566 46 A N 0.747 123.590 122.820 0.039 0.000 2.351 46 A HA 0.747 5.066 4.320 -0.000 0.000 0.257 46 A C -1.373 176.220 177.584 0.015 0.000 1.087 46 A CA -0.073 51.977 52.037 0.022 0.000 0.798 46 A CB -0.121 18.889 19.000 0.016 0.000 1.033 46 A HN 0.727 nan 8.150 nan 0.000 0.488 47 P HA 0.272 nan 4.420 nan 0.000 0.272 47 P C -0.283 177.016 177.300 -0.001 0.000 1.240 47 P CA -0.056 63.042 63.100 -0.003 0.000 0.791 47 P CB 0.431 32.127 31.700 -0.007 0.000 0.978 48 T N 1.772 116.323 114.554 -0.005 0.000 2.817 48 T HA 0.433 4.783 4.350 -0.000 0.000 0.293 48 T C 0.256 174.952 174.700 -0.007 0.000 0.964 48 T CA -0.090 62.008 62.100 -0.005 0.000 1.085 48 T CB -0.101 68.763 68.868 -0.007 0.000 0.921 48 T HN 0.174 nan 8.240 nan 0.000 0.502 49 I N 2.909 123.475 120.570 -0.006 0.000 2.355 49 I HA 0.420 4.589 4.170 -0.000 0.000 0.288 49 I C 0.378 176.491 176.117 -0.008 0.000 0.999 49 I CA -0.476 60.820 61.300 -0.007 0.000 1.163 49 I CB 1.678 39.675 38.000 -0.005 0.000 1.316 49 I HN 0.522 nan 8.210 nan 0.000 0.454 50 T N 4.534 119.082 114.554 -0.009 0.000 2.883 50 T HA 0.444 4.793 4.350 -0.000 0.000 0.296 50 T C 0.006 174.700 174.700 -0.011 0.000 1.117 50 T CA -0.524 61.570 62.100 -0.011 0.000 1.006 50 T CB 1.825 70.685 68.868 -0.013 0.000 1.191 50 T HN 0.651 nan 8.240 nan 0.000 0.508 51 K N 1.257 121.650 120.400 -0.012 0.000 2.501 51 K HA 0.211 4.531 4.320 -0.000 0.000 0.204 51 K C -0.804 175.787 176.600 -0.015 0.000 1.067 51 K CA -0.262 56.018 56.287 -0.012 0.000 1.060 51 K CB 0.603 33.096 32.500 -0.012 0.000 0.873 51 K HN 0.491 nan 8.250 nan 0.000 0.540 52 D N -0.067 120.323 120.400 -0.017 0.000 2.313 52 D HA 0.139 4.779 4.640 -0.000 0.000 0.239 52 D C 1.248 177.536 176.300 -0.020 0.000 1.142 52 D CA -0.147 53.841 54.000 -0.020 0.000 0.847 52 D CB 1.390 42.176 40.800 -0.023 0.000 1.082 52 D HN 0.147 nan 8.370 nan 0.000 0.480 53 G N 2.453 111.241 108.800 -0.020 0.000 2.446 53 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 53 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 53 G C 1.498 176.385 174.900 -0.021 0.000 1.168 53 G CA 0.815 45.904 45.100 -0.018 0.000 0.771 53 G HN 0.488 nan 8.290 nan 0.000 0.551 54 V N 1.073 120.971 119.914 -0.026 0.000 2.343 54 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 54 V C 3.119 179.197 176.094 -0.027 0.000 1.051 54 V CA 2.195 64.477 62.300 -0.029 0.000 1.036 54 V CB -0.561 31.241 31.823 -0.035 0.000 0.654 54 V HN 0.372 nan 8.190 nan 0.000 0.451 55 S N -0.048 115.637 115.700 -0.025 0.000 2.370 55 S HA -0.177 4.292 4.470 -0.000 0.000 0.226 55 S C 1.993 176.580 174.600 -0.021 0.000 1.033 55 S CA 1.616 59.803 58.200 -0.022 0.000 1.011 55 S CB -0.255 62.933 63.200 -0.020 0.000 0.852 55 S HN 0.414 nan 8.310 nan 0.000 0.457 56 V N 1.955 121.857 119.914 -0.019 0.000 2.307 56 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 56 V C 2.683 178.766 176.094 -0.019 0.000 1.045 56 V CA 1.564 63.853 62.300 -0.018 0.000 1.024 56 V CB -1.319 30.495 31.823 -0.015 0.000 0.651 56 V HN 0.531 nan 8.190 nan 0.000 0.449 57 A N 0.166 122.974 122.820 -0.020 0.000 1.892 57 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 57 A C 2.360 179.931 177.584 -0.023 0.000 1.188 57 A CA 2.070 54.094 52.037 -0.021 0.000 0.631 57 A CB -0.600 18.386 19.000 -0.023 0.000 0.822 57 A HN 0.498 nan 8.150 nan 0.000 0.447 58 R N -0.603 119.882 120.500 -0.026 0.000 2.159 58 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 58 R C 1.585 177.869 176.300 -0.026 0.000 1.131 58 R CA 1.320 57.404 56.100 -0.027 0.000 0.982 58 R CB -0.205 30.078 30.300 -0.029 0.000 0.868 58 R HN 0.522 nan 8.270 nan 0.000 0.453 59 E N 0.257 120.442 120.200 -0.024 0.000 2.371 59 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 59 E C 0.540 177.126 176.600 -0.023 0.000 1.012 59 E CA 0.287 56.672 56.400 -0.025 0.000 0.860 59 E CB 0.183 29.869 29.700 -0.024 0.000 0.811 59 E HN 0.165 nan 8.360 nan 0.000 0.502 60 I N 2.076 122.633 120.570 -0.021 0.000 2.517 60 I HA 0.128 4.298 4.170 -0.000 0.000 0.285 60 I C 0.396 176.501 176.117 -0.020 0.000 1.106 60 I CA 0.301 61.590 61.300 -0.019 0.000 1.402 60 I CB -0.011 37.980 38.000 -0.015 0.000 1.399 60 I HN -0.039 nan 8.210 nan 0.000 0.535 61 E N 6.804 126.992 120.200 -0.020 0.000 2.321 61 E HA 0.522 4.872 4.350 -0.000 0.000 0.281 61 E C -1.755 174.833 176.600 -0.019 0.000 0.910 61 E CA -0.586 55.800 56.400 -0.022 0.000 0.770 61 E CB 2.048 31.732 29.700 -0.026 0.000 1.225 61 E HN 0.446 nan 8.360 nan 0.000 0.417 62 L N 2.996 124.209 121.223 -0.018 0.000 2.332 62 L HA 0.426 4.766 4.340 -0.000 0.000 0.269 62 L C 1.439 178.300 176.870 -0.016 0.000 1.016 62 L CA -0.550 54.283 54.840 -0.012 0.000 0.809 62 L CB 1.489 43.546 42.059 -0.003 0.000 1.280 62 L HN 0.737 nan 8.230 nan 0.000 0.447 63 E N 0.369 120.563 120.200 -0.010 0.000 2.046 63 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 63 E C 0.455 177.050 176.600 -0.008 0.000 0.982 63 E CA 0.422 56.816 56.400 -0.011 0.000 0.800 63 E CB 0.279 29.976 29.700 -0.005 0.000 0.756 63 E HN 0.647 nan 8.360 nan 0.000 0.449 64 D N 0.728 121.135 120.400 0.011 0.000 2.401 64 D HA -0.061 4.579 4.640 -0.000 0.000 0.254 64 D C 0.657 176.958 176.300 0.003 0.000 1.192 64 D CA 0.063 54.084 54.000 0.035 0.000 0.885 64 D CB 0.958 41.802 40.800 0.074 0.000 1.147 64 D HN 0.038 nan 8.370 nan 0.000 0.478 65 K N 3.557 123.918 120.400 -0.065 0.000 2.103 65 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 65 K C 1.864 178.304 176.600 -0.268 0.000 1.048 65 K CA 1.171 57.330 56.287 -0.212 0.000 0.930 65 K CB -0.266 32.014 32.500 -0.367 0.000 0.716 65 K HN 0.494 nan 8.250 nan 0.000 0.444 66 F N 1.664 121.602 119.950 -0.019 0.000 2.187 66 F HA -0.037 4.490 4.527 -0.000 0.000 0.295 66 F C 2.392 178.181 175.800 -0.018 0.000 1.091 66 F CA 0.952 58.939 58.000 -0.022 0.000 1.308 66 F CB -0.370 38.616 39.000 -0.023 0.000 1.030 66 F HN 0.076 nan 8.300 nan 0.000 0.487 67 E N 0.017 120.312 120.200 0.159 0.000 2.110 67 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 67 E C 1.788 178.412 176.600 0.039 0.000 0.988 67 E CA 1.308 57.759 56.400 0.084 0.000 0.804 67 E CB -0.345 29.392 29.700 0.063 0.000 0.745 67 E HN 0.303 nan 8.360 nan 0.000 0.458 68 N N 0.561 119.268 118.700 0.011 0.000 2.166 68 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 68 N C 1.707 177.206 175.510 -0.018 0.000 1.019 68 N CA 1.163 54.205 53.050 -0.015 0.000 0.856 68 N CB 0.037 38.501 38.487 -0.039 0.000 0.993 68 N HN 0.084 nan 8.380 nan 0.000 0.426 69 M N -0.812 118.776 119.600 -0.021 0.000 2.117 69 M HA -0.017 4.463 4.480 -0.000 0.000 0.262 69 M C 2.200 178.505 176.300 0.007 0.000 1.065 69 M CA 1.630 56.920 55.300 -0.018 0.000 1.114 69 M CB -0.591 31.997 32.600 -0.020 0.000 1.361 69 M HN 0.310 nan 8.290 nan 0.000 0.408 70 G N 0.020 108.837 108.800 0.028 0.000 2.440 70 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 70 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 70 G C 1.615 176.523 174.900 0.014 0.000 1.154 70 G CA 1.096 46.213 45.100 0.027 0.000 0.767 70 G HN 0.545 nan 8.290 nan 0.000 0.552 71 A N 0.023 122.848 122.820 0.009 0.000 1.902 71 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 71 A C 2.408 179.989 177.584 -0.005 0.000 1.181 71 A CA 1.950 53.988 52.037 0.001 0.000 0.623 71 A CB -0.335 18.664 19.000 -0.002 0.000 0.818 71 A HN 0.318 nan 8.150 nan 0.000 0.443 72 Q N -0.593 119.201 119.800 -0.010 0.000 2.224 72 Q HA -0.060 4.280 4.340 -0.000 0.000 0.203 72 Q C 2.088 178.081 176.000 -0.011 0.000 0.970 72 Q CA 1.314 57.107 55.803 -0.015 0.000 0.865 72 Q CB -0.529 28.196 28.738 -0.022 0.000 0.922 72 Q HN 0.777 nan 8.270 nan 0.000 0.445 73 M N -0.457 119.141 119.600 -0.004 0.000 2.077 73 M HA -0.112 4.367 4.480 -0.000 0.000 0.261 73 M C 2.259 178.562 176.300 0.004 0.000 1.070 73 M CA 1.135 56.436 55.300 0.002 0.000 1.125 73 M CB -0.435 32.170 32.600 0.009 0.000 1.339 73 M HN 0.069 nan 8.290 nan 0.000 0.409 74 V N 0.324 120.242 119.914 0.006 0.000 2.626 74 V HA -0.228 3.891 4.120 -0.000 0.000 0.252 74 V C 2.037 178.130 176.094 -0.002 0.000 1.067 74 V CA 1.836 64.141 62.300 0.008 0.000 1.081 74 V CB -0.463 31.367 31.823 0.011 0.000 0.686 74 V HN 0.409 nan 8.190 nan 0.000 0.468 75 K N -0.267 120.127 120.400 -0.010 0.000 2.211 75 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 75 K C 2.029 178.610 176.600 -0.033 0.000 1.047 75 K CA 1.451 57.726 56.287 -0.021 0.000 0.935 75 K CB -0.053 32.434 32.500 -0.022 0.000 0.728 75 K HN 0.467 nan 8.250 nan 0.000 0.452 76 E N 0.045 120.227 120.200 -0.029 0.000 2.268 76 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 76 E C 1.842 178.400 176.600 -0.071 0.000 0.995 76 E CA 0.608 56.980 56.400 -0.046 0.000 0.836 76 E CB 0.078 29.764 29.700 -0.023 0.000 0.763 76 E HN 0.114 nan 8.360 nan 0.000 0.491 77 V N 1.400 121.294 119.914 -0.034 0.000 2.244 77 V HA -0.250 3.869 4.120 -0.000 0.000 0.244 77 V C 2.455 178.500 176.094 -0.081 0.000 1.042 77 V CA 1.881 64.170 62.300 -0.019 0.000 1.006 77 V CB -0.862 30.981 31.823 0.033 0.000 0.641 77 V HN 0.249 nan 8.190 nan 0.000 0.446 78 A N 0.852 123.639 122.820 -0.056 0.000 1.865 78 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 78 A C 2.573 180.093 177.584 -0.106 0.000 1.191 78 A CA 2.840 54.840 52.037 -0.062 0.000 0.623 78 A CB -1.039 17.937 19.000 -0.040 0.000 0.826 78 A HN 0.703 nan 8.150 nan 0.000 0.444 79 S N 0.136 115.769 115.700 -0.111 0.000 2.359 79 S HA -0.244 4.226 4.470 -0.000 0.000 0.224 79 S C 1.883 176.363 174.600 -0.201 0.000 1.035 79 S CA 1.681 59.808 58.200 -0.122 0.000 1.018 79 S CB -0.467 62.676 63.200 -0.095 0.000 0.876 79 S HN 0.620 nan 8.310 nan 0.000 0.448 80 K N 1.705 121.905 120.400 -0.334 0.000 2.057 80 K HA 0.124 4.443 4.320 -0.000 0.000 0.206 80 K C 2.603 178.768 176.600 -0.725 0.000 1.050 80 K CA 1.117 57.033 56.287 -0.618 0.000 0.935 80 K CB -0.559 31.332 32.500 -1.014 0.000 0.715 80 K HN 0.494 nan 8.250 nan 0.000 0.439 81 A N 1.738 124.216 122.820 -0.570 0.000 1.933 81 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 81 A C 1.935 179.469 177.584 -0.083 0.000 1.175 81 A CA 1.826 53.749 52.037 -0.190 0.000 0.628 81 A CB -0.589 18.406 19.000 -0.008 0.000 0.814 81 A HN 0.267 nan 8.150 nan 0.000 0.444 82 N N 0.484 119.119 118.700 -0.108 0.000 2.062 82 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 82 N C 1.189 176.676 175.510 -0.037 0.000 1.042 82 N CA 1.811 54.826 53.050 -0.059 0.000 0.845 82 N CB -0.350 38.097 38.487 -0.066 0.000 1.024 82 N HN 0.371 nan 8.380 nan 0.000 0.424 83 D N -0.172 120.185 120.400 -0.071 0.000 2.190 83 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 83 D C 1.550 177.850 176.300 -0.001 0.000 0.992 83 D CA 1.310 55.285 54.000 -0.040 0.000 0.854 83 D CB -0.332 40.426 40.800 -0.071 0.000 0.936 83 D HN 0.456 nan 8.370 nan 0.000 0.462 84 A N 0.109 122.932 122.820 0.006 0.000 1.935 84 A HA 0.321 4.640 4.320 -0.000 0.000 0.214 84 A C 2.002 179.644 177.584 0.096 0.000 1.178 84 A CA 1.519 53.604 52.037 0.080 0.000 0.640 84 A CB 0.159 19.278 19.000 0.199 0.000 0.825 84 A HN 0.225 nan 8.150 nan 0.000 0.447 85 A N -2.834 120.050 122.820 0.106 0.000 2.498 85 A HA 0.468 4.787 4.320 -0.000 0.000 0.238 85 A C 1.613 179.329 177.584 0.220 0.000 1.225 85 A CA 1.043 53.164 52.037 0.141 0.000 0.978 85 A CB -0.304 18.767 19.000 0.118 0.000 1.142 85 A HN 1.812 nan 8.150 nan 0.000 0.552 86 G N -0.365 108.511 108.800 0.126 0.000 2.187 86 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.261 86 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.261 86 G C -0.142 174.700 174.900 -0.096 0.000 1.000 86 G CA 0.956 46.059 45.100 0.005 0.000 0.718 86 G HN 0.854 nan 8.290 nan 0.000 0.519 87 D N -2.901 117.492 120.400 -0.013 0.000 2.671 87 D HA 0.563 5.203 4.640 -0.000 0.000 0.273 87 D C 0.788 177.092 176.300 0.007 0.000 1.264 87 D CA 1.161 55.147 54.000 -0.024 0.000 0.788 87 D CB 0.317 41.108 40.800 -0.015 0.000 1.324 87 D HN 1.359 nan 8.370 nan 0.000 0.424 88 G N 0.337 109.138 108.800 0.001 0.000 2.176 88 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.252 88 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.252 88 G C 0.942 175.850 174.900 0.013 0.000 1.024 88 G CA 1.576 46.684 45.100 0.014 0.000 0.755 88 G HN 0.899 nan 8.290 nan 0.000 0.507 89 T N -3.708 110.844 114.554 -0.003 0.000 2.904 89 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 89 T C 2.221 176.919 174.700 -0.003 0.000 1.059 89 T CA 2.345 64.439 62.100 -0.009 0.000 1.137 89 T CB -0.314 68.538 68.868 -0.026 0.000 0.879 89 T HN 0.279 nan 8.240 nan 0.000 0.467 90 T N 1.879 116.430 114.554 -0.004 0.000 2.812 90 T HA -0.047 4.303 4.350 -0.000 0.000 0.264 90 T C 2.219 176.923 174.700 0.006 0.000 1.042 90 T CA 1.681 63.780 62.100 -0.001 0.000 1.140 90 T CB -0.861 68.005 68.868 -0.004 0.000 0.870 90 T HN 0.462 nan 8.240 nan 0.000 0.445 91 T N 2.106 116.667 114.554 0.010 0.000 2.684 91 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 91 T C 2.385 177.099 174.700 0.024 0.000 1.036 91 T CA 1.262 63.371 62.100 0.017 0.000 1.148 91 T CB -0.549 68.331 68.868 0.020 0.000 0.863 91 T HN 0.429 nan 8.240 nan 0.000 0.436 92 A N 1.112 123.951 122.820 0.031 0.000 1.902 92 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 92 A C 2.553 180.158 177.584 0.035 0.000 1.181 92 A CA 2.127 54.191 52.037 0.045 0.000 0.623 92 A CB -1.189 17.847 19.000 0.060 0.000 0.818 92 A HN 0.486 nan 8.150 nan 0.000 0.443 93 T N -0.310 114.256 114.554 0.021 0.000 2.777 93 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 93 T C 1.986 176.695 174.700 0.015 0.000 1.040 93 T CA 1.781 63.890 62.100 0.015 0.000 1.141 93 T CB -0.619 68.253 68.868 0.005 0.000 0.868 93 T HN 0.655 nan 8.240 nan 0.000 0.444 94 V N 0.353 120.275 119.914 0.013 0.000 2.548 94 V HA 0.030 4.150 4.120 -0.000 0.000 0.249 94 V C 2.158 178.261 176.094 0.015 0.000 1.055 94 V CA 1.279 63.586 62.300 0.012 0.000 1.065 94 V CB -0.936 30.893 31.823 0.009 0.000 0.681 94 V HN 0.443 nan 8.190 nan 0.000 0.462 95 L N 0.620 121.855 121.223 0.020 0.000 2.056 95 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 95 L C 3.035 179.919 176.870 0.022 0.000 1.078 95 L CA 1.688 56.540 54.840 0.021 0.000 0.749 95 L CB -0.828 41.247 42.059 0.027 0.000 0.901 95 L HN 0.451 nan 8.230 nan 0.000 0.433 96 A N -0.595 122.241 122.820 0.026 0.000 1.898 96 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 96 A C 2.254 179.850 177.584 0.020 0.000 1.181 96 A CA 1.783 53.836 52.037 0.027 0.000 0.620 96 A CB -0.563 18.456 19.000 0.032 0.000 0.819 96 A HN 0.503 nan 8.150 nan 0.000 0.442 97 Q N -0.446 119.363 119.800 0.016 0.000 2.084 97 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 97 Q C 2.142 178.149 176.000 0.012 0.000 0.978 97 Q CA 1.580 57.390 55.803 0.013 0.000 0.844 97 Q CB -0.348 28.396 28.738 0.010 0.000 0.898 97 Q HN 0.580 nan 8.270 nan 0.000 0.426 98 A N 0.796 123.623 122.820 0.012 0.000 1.902 98 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 98 A C 1.973 179.563 177.584 0.011 0.000 1.181 98 A CA 1.367 53.411 52.037 0.010 0.000 0.623 98 A CB -0.574 18.432 19.000 0.010 0.000 0.818 98 A HN 0.487 nan 8.150 nan 0.000 0.443 99 I N -0.601 119.977 120.570 0.013 0.000 2.286 99 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 99 I C 2.239 178.364 176.117 0.012 0.000 1.104 99 I CA 1.007 62.315 61.300 0.013 0.000 1.397 99 I CB -0.274 37.734 38.000 0.014 0.000 1.072 99 I HN 0.277 nan 8.210 nan 0.000 0.417 100 I N 0.318 120.896 120.570 0.014 0.000 2.202 100 I HA -0.247 3.922 4.170 -0.000 0.000 0.242 100 I C 2.565 178.688 176.117 0.011 0.000 1.091 100 I CA 1.431 62.740 61.300 0.014 0.000 1.368 100 I CB -0.562 37.447 38.000 0.016 0.000 1.058 100 I HN 0.207 nan 8.210 nan 0.000 0.410 101 T N 0.327 114.887 114.554 0.010 0.000 2.622 101 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 101 T C 1.830 176.534 174.700 0.007 0.000 1.047 101 T CA 1.378 63.483 62.100 0.008 0.000 1.159 101 T CB -0.191 68.681 68.868 0.007 0.000 0.863 101 T HN 0.275 nan 8.240 nan 0.000 0.422 102 E N 0.617 120.822 120.200 0.007 0.000 2.106 102 E HA -0.001 4.349 4.350 -0.000 0.000 0.192 102 E C 2.534 179.138 176.600 0.007 0.000 0.984 102 E CA 0.976 57.379 56.400 0.006 0.000 0.806 102 E CB -0.862 28.842 29.700 0.006 0.000 0.750 102 E HN 0.567 nan 8.360 nan 0.000 0.458 103 G N 1.489 110.294 108.800 0.008 0.000 2.421 103 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 103 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 103 G C 1.720 176.625 174.900 0.009 0.000 1.171 103 G CA 0.555 45.660 45.100 0.009 0.000 0.775 103 G HN 0.189 nan 8.290 nan 0.000 0.543 104 L N -0.182 121.047 121.223 0.009 0.000 2.131 104 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 104 L C 2.921 179.795 176.870 0.007 0.000 1.092 104 L CA 1.004 55.849 54.840 0.009 0.000 0.759 104 L CB -0.299 41.765 42.059 0.009 0.000 0.903 104 L HN 0.202 nan 8.230 nan 0.000 0.435 105 K N 0.110 120.514 120.400 0.006 0.000 2.057 105 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 105 K C 2.254 178.856 176.600 0.004 0.000 1.050 105 K CA 1.298 57.588 56.287 0.004 0.000 0.935 105 K CB -0.139 32.364 32.500 0.004 0.000 0.715 105 K HN 0.275 nan 8.250 nan 0.000 0.439 106 A N 0.798 123.621 122.820 0.005 0.000 1.902 106 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 106 A C 2.285 179.872 177.584 0.005 0.000 1.181 106 A CA 1.368 53.408 52.037 0.005 0.000 0.623 106 A CB -0.594 18.409 19.000 0.005 0.000 0.818 106 A HN 0.082 nan 8.150 nan 0.000 0.443 107 V N -0.121 119.797 119.914 0.007 0.000 2.343 107 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 107 V C 3.020 179.118 176.094 0.006 0.000 1.051 107 V CA 1.929 64.233 62.300 0.008 0.000 1.036 107 V CB -1.180 30.649 31.823 0.010 0.000 0.654 107 V HN 0.608 nan 8.190 nan 0.000 0.451 108 A N -0.149 122.674 122.820 0.005 0.000 2.019 108 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 108 A C 2.218 179.803 177.584 0.002 0.000 1.164 108 A CA 1.632 53.671 52.037 0.003 0.000 0.644 108 A CB -0.515 18.486 19.000 0.002 0.000 0.805 108 A HN 0.589 nan 8.150 nan 0.000 0.449 109 A N -1.824 120.998 122.820 0.003 0.000 2.238 109 A HA 0.409 4.729 4.320 -0.000 0.000 0.208 109 A C 1.717 179.302 177.584 0.002 0.000 1.177 109 A CA 1.190 53.228 52.037 0.002 0.000 0.804 109 A CB -0.839 18.162 19.000 0.002 0.000 0.823 109 A HN 1.825 nan 8.150 nan 0.000 0.482 110 G N -1.785 107.017 108.800 0.003 0.000 2.157 110 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.239 110 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.239 110 G C 0.164 175.066 174.900 0.003 0.000 0.982 110 G CA 0.231 45.332 45.100 0.003 0.000 0.650 110 G HN 0.376 nan 8.290 nan 0.000 0.527 111 M N 0.623 120.225 119.600 0.004 0.000 2.241 111 M HA 0.235 4.715 4.480 -0.000 0.000 0.335 111 M C 0.752 177.055 176.300 0.006 0.000 1.122 111 M CA -0.526 54.777 55.300 0.004 0.000 1.164 111 M CB 0.450 33.053 32.600 0.004 0.000 1.459 111 M HN 0.156 nan 8.290 nan 0.000 0.461 112 N N 2.789 121.492 118.700 0.006 0.000 2.427 112 N HA 0.070 4.810 4.740 -0.000 0.000 0.269 112 N C -2.101 173.414 175.510 0.008 0.000 1.235 112 N CA -1.201 51.853 53.050 0.007 0.000 0.934 112 N CB 1.003 39.493 38.487 0.006 0.000 1.121 112 N HN 0.286 nan 8.380 nan 0.000 0.480 113 P HA -0.149 nan 4.420 nan 0.000 0.216 113 P C 1.637 178.943 177.300 0.010 0.000 1.153 113 P CA 1.415 64.521 63.100 0.011 0.000 0.858 113 P CB 0.206 31.915 31.700 0.015 0.000 0.789 114 M N -1.012 118.594 119.600 0.010 0.000 2.159 114 M HA -0.117 4.362 4.480 -0.000 0.000 0.263 114 M C 1.421 177.725 176.300 0.007 0.000 1.063 114 M CA 1.597 56.902 55.300 0.009 0.000 1.110 114 M CB -1.637 30.968 32.600 0.009 0.000 1.374 114 M HN -0.006 nan 8.290 nan 0.000 0.411 115 D N 0.422 120.826 120.400 0.006 0.000 2.149 115 D HA 0.004 4.643 4.640 -0.000 0.000 0.201 115 D C 2.344 178.647 176.300 0.005 0.000 0.972 115 D CA 0.809 54.812 54.000 0.005 0.000 0.835 115 D CB -0.053 40.750 40.800 0.004 0.000 0.966 115 D HN 0.313 nan 8.370 nan 0.000 0.476 116 L N 0.844 122.070 121.223 0.006 0.000 2.012 116 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 116 L C 2.540 179.413 176.870 0.005 0.000 1.073 116 L CA 1.257 56.100 54.840 0.006 0.000 0.748 116 L CB -0.340 41.723 42.059 0.007 0.000 0.891 116 L HN -0.010 nan 8.230 nan 0.000 0.431 117 K N 0.408 120.811 120.400 0.006 0.000 2.057 117 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 117 K C 2.328 178.930 176.600 0.003 0.000 1.049 117 K CA 1.426 57.717 56.287 0.005 0.000 0.931 117 K CB -0.068 32.436 32.500 0.007 0.000 0.714 117 K HN 0.057 nan 8.250 nan 0.000 0.440 118 R N -0.179 120.322 120.500 0.003 0.000 2.081 118 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 118 R C 2.287 178.587 176.300 0.000 0.000 1.131 118 R CA 1.807 57.907 56.100 0.001 0.000 0.960 118 R CB -0.613 29.688 30.300 0.001 0.000 0.856 118 R HN 0.415 nan 8.270 nan 0.000 0.436 119 G N 0.810 109.611 108.800 0.001 0.000 2.418 119 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 119 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 119 G C 1.448 176.348 174.900 0.000 0.000 1.158 119 G CA 0.934 46.035 45.100 0.001 0.000 0.771 119 G HN 0.283 nan 8.290 nan 0.000 0.545 120 I N 0.971 121.541 120.570 0.001 0.000 2.226 120 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 120 I C 2.260 178.375 176.117 -0.003 0.000 1.100 120 I CA 1.203 62.503 61.300 0.001 0.000 1.374 120 I CB -0.167 37.834 38.000 0.003 0.000 1.057 120 I HN 0.048 nan 8.210 nan 0.000 0.413 121 D N 0.755 121.153 120.400 -0.005 0.000 2.117 121 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 121 D C 2.068 178.362 176.300 -0.010 0.000 0.987 121 D CA 1.143 55.138 54.000 -0.009 0.000 0.829 121 D CB -0.193 40.601 40.800 -0.009 0.000 0.961 121 D HN 0.281 nan 8.370 nan 0.000 0.460 122 K N 0.729 121.126 120.400 -0.006 0.000 2.057 122 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 122 K C 2.026 178.623 176.600 -0.005 0.000 1.049 122 K CA 1.267 57.550 56.287 -0.006 0.000 0.931 122 K CB -0.037 32.461 32.500 -0.003 0.000 0.714 122 K HN 0.009 nan 8.250 nan 0.000 0.440 123 A N 0.604 123.422 122.820 -0.004 0.000 1.908 123 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 123 A C 2.222 179.804 177.584 -0.005 0.000 1.181 123 A CA 1.719 53.754 52.037 -0.002 0.000 0.627 123 A CB -0.616 18.384 19.000 -0.000 0.000 0.818 123 A HN 0.190 nan 8.150 nan 0.000 0.445 124 V N -0.624 119.285 119.914 -0.008 0.000 2.358 124 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 124 V C 2.722 178.806 176.094 -0.017 0.000 1.047 124 V CA 2.376 64.668 62.300 -0.014 0.000 1.035 124 V CB -1.176 30.635 31.823 -0.021 0.000 0.658 124 V HN 0.591 nan 8.190 nan 0.000 0.452 125 T N 0.134 114.677 114.554 -0.018 0.000 2.684 125 T HA -0.179 4.170 4.350 -0.000 0.000 0.267 125 T C 1.917 176.610 174.700 -0.012 0.000 1.036 125 T CA 1.833 63.922 62.100 -0.018 0.000 1.148 125 T CB -0.204 68.655 68.868 -0.015 0.000 0.863 125 T HN 0.287 nan 8.240 nan 0.000 0.436 126 V N 1.441 121.350 119.914 -0.008 0.000 2.379 126 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 126 V C 2.838 178.931 176.094 -0.003 0.000 1.044 126 V CA 1.455 63.753 62.300 -0.004 0.000 1.036 126 V CB -1.146 30.675 31.823 -0.002 0.000 0.664 126 V HN 0.507 nan 8.190 nan 0.000 0.453 127 A N -0.066 122.752 122.820 -0.003 0.000 1.908 127 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 127 A C 2.399 179.982 177.584 -0.002 0.000 1.181 127 A CA 2.136 54.173 52.037 -0.001 0.000 0.627 127 A CB -0.663 18.337 19.000 -0.001 0.000 0.818 127 A HN 0.336 nan 8.150 nan 0.000 0.445 128 V N -0.007 119.903 119.914 -0.008 0.000 2.307 128 V HA -0.271 3.848 4.120 -0.000 0.000 0.245 128 V C 2.404 178.495 176.094 -0.006 0.000 1.045 128 V CA 2.300 64.594 62.300 -0.010 0.000 1.024 128 V CB -0.875 30.936 31.823 -0.020 0.000 0.651 128 V HN 0.656 nan 8.190 nan 0.000 0.449 129 E N -0.076 120.120 120.200 -0.005 0.000 2.058 129 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 129 E C 2.241 178.842 176.600 0.001 0.000 0.997 129 E CA 1.604 58.003 56.400 -0.003 0.000 0.801 129 E CB -0.189 29.510 29.700 -0.003 0.000 0.746 129 E HN 0.533 nan 8.360 nan 0.000 0.450 130 E N 0.772 120.973 120.200 0.002 0.000 2.153 130 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 130 E C 1.796 178.401 176.600 0.008 0.000 0.988 130 E CA 0.545 56.949 56.400 0.006 0.000 0.811 130 E CB -0.119 29.585 29.700 0.007 0.000 0.746 130 E HN 0.107 nan 8.360 nan 0.000 0.466 131 L N 0.675 121.902 121.223 0.006 0.000 2.056 131 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 131 L C 1.867 178.742 176.870 0.008 0.000 1.078 131 L CA 1.797 56.642 54.840 0.008 0.000 0.749 131 L CB -0.311 41.752 42.059 0.007 0.000 0.901 131 L HN 0.019 nan 8.230 nan 0.000 0.433 132 K N -0.941 119.462 120.400 0.006 0.000 2.097 132 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 132 K C 2.038 178.642 176.600 0.007 0.000 1.049 132 K CA 1.190 57.480 56.287 0.006 0.000 0.933 132 K CB -0.308 32.194 32.500 0.003 0.000 0.717 132 K HN 0.403 nan 8.250 nan 0.000 0.442 133 A N 1.173 123.997 122.820 0.007 0.000 1.969 133 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 133 A C 1.963 179.553 177.584 0.011 0.000 1.169 133 A CA 1.139 53.181 52.037 0.008 0.000 0.635 133 A CB -0.414 18.591 19.000 0.008 0.000 0.810 133 A HN 0.162 nan 8.150 nan 0.000 0.445 134 L N -0.621 120.609 121.223 0.012 0.000 2.446 134 L HA 0.069 4.409 4.340 -0.000 0.000 0.219 134 L C 1.297 178.176 176.870 0.015 0.000 1.116 134 L CA -0.037 54.812 54.840 0.016 0.000 0.844 134 L CB -0.272 41.798 42.059 0.018 0.000 0.970 134 L HN 0.286 nan 8.230 nan 0.000 0.457 135 S N 0.404 116.112 115.700 0.013 0.000 2.549 135 S HA 0.148 4.618 4.470 -0.000 0.000 0.286 135 S C -0.117 174.490 174.600 0.012 0.000 1.314 135 S CA -0.362 57.846 58.200 0.013 0.000 1.062 135 S CB 0.621 63.828 63.200 0.011 0.000 0.865 135 S HN -0.034 nan 8.310 nan 0.000 0.498 136 V N 8.666 128.588 119.914 0.013 0.000 2.394 136 V HA 0.367 4.486 4.120 -0.000 0.000 0.282 136 V C -2.015 174.085 176.094 0.010 0.000 1.031 136 V CA -1.875 60.432 62.300 0.012 0.000 0.881 136 V CB 1.390 33.221 31.823 0.013 0.000 0.982 136 V HN 0.762 nan 8.190 nan 0.000 0.451 137 P HA 0.106 nan 4.420 nan 0.000 0.270 137 P C -0.570 176.734 177.300 0.007 0.000 1.223 137 P CA -0.143 62.961 63.100 0.007 0.000 0.785 137 P CB 0.429 32.133 31.700 0.006 0.000 0.923 138 C N 2.392 121.695 119.300 0.006 0.000 3.445 138 C HA 0.388 4.848 4.460 -0.000 0.000 0.213 138 C C 1.237 176.229 174.990 0.003 0.000 1.319 138 C CA 0.111 59.132 59.018 0.005 0.000 1.402 138 C CB -1.513 26.231 27.740 0.005 0.000 1.819 138 C HN 0.531 nan 8.230 nan 0.000 0.491 139 S N 1.044 116.746 115.700 0.003 0.000 2.510 139 S HA 0.079 4.548 4.470 -0.000 0.000 0.230 139 S C 0.548 175.149 174.600 0.002 0.000 1.066 139 S CA 0.215 58.416 58.200 0.002 0.000 0.941 139 S CB -0.097 63.104 63.200 0.002 0.000 0.829 139 S HN 0.941 nan 8.310 nan 0.000 0.530 140 D N 1.839 122.240 120.400 0.002 0.000 2.357 140 D HA 0.085 4.725 4.640 -0.000 0.000 0.242 140 D C 0.986 177.287 176.300 0.002 0.000 1.153 140 D CA 0.362 54.364 54.000 0.002 0.000 0.918 140 D CB 1.052 41.854 40.800 0.003 0.000 1.181 140 D HN 0.255 nan 8.370 nan 0.000 0.435 141 S N 0.835 116.536 115.700 0.002 0.000 2.419 141 S HA -0.252 4.218 4.470 -0.000 0.000 0.233 141 S C 1.675 176.276 174.600 0.002 0.000 1.016 141 S CA 0.970 59.171 58.200 0.001 0.000 0.974 141 S CB -0.324 62.876 63.200 0.001 0.000 0.786 141 S HN 0.639 nan 8.310 nan 0.000 0.492 142 K N 1.685 122.086 120.400 0.002 0.000 2.025 142 K HA 0.012 4.332 4.320 -0.000 0.000 0.207 142 K C 2.375 178.977 176.600 0.003 0.000 1.049 142 K CA 1.137 57.425 56.287 0.003 0.000 0.933 142 K CB -0.655 31.847 32.500 0.003 0.000 0.714 142 K HN 0.422 nan 8.250 nan 0.000 0.438 143 A N 1.577 124.399 122.820 0.004 0.000 1.877 143 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 143 A C 2.105 179.692 177.584 0.004 0.000 1.186 143 A CA 1.534 53.573 52.037 0.005 0.000 0.620 143 A CB -0.640 18.363 19.000 0.005 0.000 0.822 143 A HN 0.365 nan 8.150 nan 0.000 0.443 144 I N -0.199 120.373 120.570 0.004 0.000 2.208 144 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 144 I C 2.942 179.061 176.117 0.004 0.000 1.097 144 I CA 1.152 62.453 61.300 0.003 0.000 1.363 144 I CB -0.379 37.622 38.000 0.002 0.000 1.051 144 I HN 0.384 nan 8.210 nan 0.000 0.413 145 A N 0.115 122.937 122.820 0.003 0.000 1.898 145 A HA -0.233 4.086 4.320 -0.000 0.000 0.216 145 A C 2.261 179.848 177.584 0.004 0.000 1.181 145 A CA 1.421 53.460 52.037 0.003 0.000 0.620 145 A CB -0.551 18.451 19.000 0.003 0.000 0.819 145 A HN 0.437 nan 8.150 nan 0.000 0.442 146 Q N -0.505 119.297 119.800 0.004 0.000 2.020 146 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 146 Q C 2.183 178.186 176.000 0.005 0.000 0.982 146 Q CA 1.864 57.670 55.803 0.004 0.000 0.838 146 Q CB -0.400 28.341 28.738 0.004 0.000 0.899 146 Q HN 0.463 nan 8.270 nan 0.000 0.423 147 V N 0.467 120.385 119.914 0.006 0.000 2.332 147 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 147 V C 2.207 178.307 176.094 0.010 0.000 1.055 147 V CA 2.028 64.333 62.300 0.009 0.000 1.038 147 V CB -1.244 30.585 31.823 0.010 0.000 0.651 147 V HN 0.586 nan 8.190 nan 0.000 0.450 148 G N -0.648 108.157 108.800 0.009 0.000 2.418 148 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.217 148 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.217 148 G C 1.689 176.594 174.900 0.008 0.000 1.158 148 G CA 1.536 46.643 45.100 0.010 0.000 0.771 148 G HN 0.476 nan 8.290 nan 0.000 0.545 149 T N 1.445 116.002 114.554 0.005 0.000 2.674 149 T HA -0.068 4.281 4.350 -0.000 0.000 0.265 149 T C 2.394 177.095 174.700 0.002 0.000 1.039 149 T CA 1.105 63.206 62.100 0.003 0.000 1.150 149 T CB -0.193 68.676 68.868 0.002 0.000 0.864 149 T HN 0.251 nan 8.240 nan 0.000 0.427 150 I N 1.320 121.891 120.570 0.002 0.000 2.208 150 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 150 I C 2.537 178.655 176.117 0.001 0.000 1.097 150 I CA 1.067 62.367 61.300 -0.000 0.000 1.363 150 I CB -0.395 37.605 38.000 0.000 0.000 1.051 150 I HN 0.187 nan 8.210 nan 0.000 0.413 151 S N 0.632 116.336 115.700 0.006 0.000 2.447 151 S HA 0.021 4.491 4.470 -0.000 0.000 0.233 151 S C 1.650 176.254 174.600 0.006 0.000 1.006 151 S CA 0.956 59.162 58.200 0.009 0.000 0.957 151 S CB -0.121 63.091 63.200 0.019 0.000 0.773 151 S HN 0.511 nan 8.310 nan 0.000 0.507 152 A N 1.459 124.281 122.820 0.004 0.000 2.532 152 A HA 0.435 4.754 4.320 -0.000 0.000 0.273 152 A C 0.635 178.218 177.584 -0.002 0.000 1.342 152 A CA -0.341 51.698 52.037 0.002 0.000 0.929 152 A CB -0.714 18.288 19.000 0.004 0.000 1.051 152 A HN 0.398 nan 8.150 nan 0.000 0.521 153 N N -0.304 118.394 118.700 -0.004 0.000 2.738 153 N HA -0.228 4.511 4.740 -0.000 0.000 0.249 153 N C 0.186 175.692 175.510 -0.007 0.000 1.047 153 N CA 1.087 54.133 53.050 -0.007 0.000 0.707 153 N CB -1.896 36.587 38.487 -0.008 0.000 0.937 153 N HN 0.528 nan 8.380 nan 0.000 0.545 154 S N -1.575 114.122 115.700 -0.005 0.000 3.586 154 S HA -0.225 4.244 4.470 -0.000 0.000 0.309 154 S C -0.388 174.210 174.600 -0.003 0.000 1.195 154 S CA 0.776 58.973 58.200 -0.005 0.000 0.895 154 S CB -1.060 62.136 63.200 -0.007 0.000 0.983 154 S HN 0.739 nan 8.310 nan 0.000 0.563 155 D N 1.494 121.893 120.400 -0.002 0.000 2.468 155 D HA 0.233 4.872 4.640 -0.000 0.000 0.218 155 D C 1.114 177.414 176.300 -0.000 0.000 1.155 155 D CA -0.268 53.731 54.000 -0.001 0.000 0.924 155 D CB 0.380 41.179 40.800 -0.001 0.000 1.029 155 D HN 0.481 nan 8.370 nan 0.000 0.515 156 E N 1.034 121.234 120.200 -0.000 0.000 2.267 156 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 156 E C 1.324 177.925 176.600 0.001 0.000 0.998 156 E CA 0.956 57.356 56.400 0.000 0.000 0.830 156 E CB 0.312 30.012 29.700 0.000 0.000 0.751 156 E HN 0.462 nan 8.360 nan 0.000 0.491 157 T N 0.743 115.297 114.554 0.001 0.000 2.643 157 T HA -0.135 4.215 4.350 -0.000 0.000 0.264 157 T C 2.125 176.826 174.700 0.002 0.000 1.045 157 T CA 1.296 63.397 62.100 0.001 0.000 1.155 157 T CB -0.275 68.594 68.868 0.001 0.000 0.863 157 T HN 0.008 nan 8.240 nan 0.000 0.420 158 V N 1.553 121.468 119.914 0.002 0.000 2.469 158 V HA -0.149 3.971 4.120 -0.000 0.000 0.251 158 V C 2.800 178.896 176.094 0.005 0.000 1.064 158 V CA 1.908 64.210 62.300 0.004 0.000 1.066 158 V CB -1.450 30.376 31.823 0.005 0.000 0.667 158 V HN 0.627 nan 8.190 nan 0.000 0.461 159 G N -0.314 108.489 108.800 0.004 0.000 2.421 159 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 159 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 159 G C 1.630 176.532 174.900 0.003 0.000 1.171 159 G CA 1.033 46.135 45.100 0.004 0.000 0.775 159 G HN 0.513 nan 8.290 nan 0.000 0.543 160 K N -0.012 120.390 120.400 0.002 0.000 2.057 160 K HA 0.054 4.374 4.320 -0.000 0.000 0.207 160 K C 2.521 179.122 176.600 0.002 0.000 1.049 160 K CA 0.739 57.028 56.287 0.002 0.000 0.931 160 K CB -0.293 32.208 32.500 0.001 0.000 0.714 160 K HN 0.320 nan 8.250 nan 0.000 0.440 161 L N 1.012 122.237 121.223 0.002 0.000 1.971 161 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 161 L C 2.497 179.368 176.870 0.002 0.000 1.072 161 L CA 1.643 56.484 54.840 0.002 0.000 0.758 161 L CB -0.462 41.598 42.059 0.003 0.000 0.889 161 L HN 0.274 nan 8.230 nan 0.000 0.433 162 I N -0.405 120.167 120.570 0.003 0.000 2.208 162 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 162 I C 2.779 178.897 176.117 0.001 0.000 1.097 162 I CA 1.283 62.585 61.300 0.003 0.000 1.363 162 I CB -0.551 37.452 38.000 0.005 0.000 1.051 162 I HN 0.264 nan 8.210 nan 0.000 0.413 163 A N 0.545 123.366 122.820 0.002 0.000 1.902 163 A HA -0.225 4.094 4.320 -0.000 0.000 0.217 163 A C 2.216 179.800 177.584 0.000 0.000 1.181 163 A CA 1.774 53.811 52.037 0.001 0.000 0.623 163 A CB -0.566 18.435 19.000 0.001 0.000 0.818 163 A HN 0.486 nan 8.150 nan 0.000 0.443 164 E N -0.227 119.973 120.200 0.000 0.000 2.072 164 E HA -0.063 4.286 4.350 -0.000 0.000 0.191 164 E C 2.344 178.943 176.600 -0.000 0.000 0.985 164 E CA 0.833 57.233 56.400 0.000 0.000 0.801 164 E CB -0.309 29.391 29.700 0.000 0.000 0.750 164 E HN 0.609 nan 8.360 nan 0.000 0.452 165 A N 1.451 124.271 122.820 -0.000 0.000 1.908 165 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 165 A C 2.180 179.762 177.584 -0.002 0.000 1.181 165 A CA 1.478 53.514 52.037 -0.001 0.000 0.627 165 A CB -0.479 18.520 19.000 -0.001 0.000 0.818 165 A HN 0.142 nan 8.150 nan 0.000 0.445 166 M N -1.105 118.494 119.600 -0.003 0.000 2.394 166 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 166 M C 1.624 177.922 176.300 -0.003 0.000 1.073 166 M CA 1.562 56.860 55.300 -0.004 0.000 1.111 166 M CB -0.404 32.193 32.600 -0.005 0.000 1.401 166 M HN 0.463 nan 8.290 nan 0.000 0.448 167 D N 0.575 120.974 120.400 -0.002 0.000 2.234 167 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 167 D C 2.006 178.306 176.300 -0.001 0.000 0.962 167 D CA 1.002 55.001 54.000 -0.001 0.000 0.855 167 D CB 0.368 41.167 40.800 -0.001 0.000 0.951 167 D HN 0.010 nan 8.370 nan 0.000 0.500 168 K N -0.040 120.359 120.400 -0.001 0.000 1.995 168 K HA -0.004 4.316 4.320 -0.000 0.000 0.207 168 K C 2.032 178.632 176.600 -0.001 0.000 1.041 168 K CA 1.297 57.583 56.287 -0.001 0.000 0.942 168 K CB -0.747 31.752 32.500 -0.001 0.000 0.731 168 K HN 0.238 nan 8.250 nan 0.000 0.439 169 V N -1.872 118.041 119.914 -0.002 0.000 3.649 169 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 169 V C 0.587 176.679 176.094 -0.003 0.000 1.281 169 V CA 0.239 62.538 62.300 -0.002 0.000 1.143 169 V CB -0.770 31.052 31.823 -0.002 0.000 0.892 169 V HN 0.427 nan 8.190 nan 0.000 0.441 170 G N 1.972 110.770 108.800 -0.003 0.000 2.705 170 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 170 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 170 G C 0.128 175.024 174.900 -0.006 0.000 1.285 170 G CA -0.112 44.986 45.100 -0.004 0.000 0.800 170 G HN 0.747 nan 8.290 nan 0.000 0.611 171 K N -0.145 120.251 120.400 -0.006 0.000 2.515 171 K HA 0.042 4.361 4.320 -0.000 0.000 0.196 171 K C 0.970 177.563 176.600 -0.012 0.000 1.038 171 K CA 1.571 57.853 56.287 -0.009 0.000 0.967 171 K CB 0.324 32.820 32.500 -0.007 0.000 0.780 171 K HN 0.420 nan 8.250 nan 0.000 0.483 172 E N 1.107 121.301 120.200 -0.010 0.000 2.489 172 E HA 0.089 4.438 4.350 -0.000 0.000 0.204 172 E C 0.836 177.430 176.600 -0.010 0.000 1.006 172 E CA 0.101 56.494 56.400 -0.011 0.000 0.936 172 E CB 0.807 30.503 29.700 -0.007 0.000 1.002 172 E HN 0.415 nan 8.360 nan 0.000 0.488 173 G N 1.040 109.835 108.800 -0.009 0.000 2.634 173 G HA2 0.278 4.238 3.960 -0.000 0.000 0.255 173 G HA3 0.278 4.238 3.960 -0.000 0.000 0.255 173 G C 0.174 175.068 174.900 -0.010 0.000 1.205 173 G CA -0.462 44.634 45.100 -0.006 0.000 0.884 173 G HN -0.068 nan 8.290 nan 0.000 0.549 174 V N 0.640 120.550 119.914 -0.006 0.000 2.614 174 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 174 V C 0.344 176.433 176.094 -0.009 0.000 1.049 174 V CA 0.213 62.507 62.300 -0.010 0.000 1.038 174 V CB 0.721 32.542 31.823 -0.004 0.000 0.980 174 V HN 0.442 nan 8.190 nan 0.000 0.481 175 I N 3.549 124.112 120.570 -0.012 0.000 2.569 175 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 175 I C -0.267 175.846 176.117 -0.007 0.000 1.088 175 I CA -0.201 61.094 61.300 -0.008 0.000 1.047 175 I CB 2.583 40.578 38.000 -0.009 0.000 1.237 175 I HN 0.576 nan 8.210 nan 0.000 0.421 176 T N 4.319 118.872 114.554 -0.003 0.000 2.901 176 T HA 0.676 5.026 4.350 -0.000 0.000 0.293 176 T C -0.772 173.929 174.700 0.002 0.000 1.084 176 T CA -0.692 61.407 62.100 -0.001 0.000 1.008 176 T CB 2.600 71.466 68.868 -0.002 0.000 1.170 176 T HN 0.455 nan 8.240 nan 0.000 0.509 177 V N -0.722 119.194 119.914 0.005 0.000 2.638 177 V HA 0.846 4.966 4.120 -0.000 0.000 0.306 177 V C -1.051 175.046 176.094 0.004 0.000 1.052 177 V CA -0.809 61.494 62.300 0.005 0.000 0.885 177 V CB 1.731 33.559 31.823 0.009 0.000 0.999 177 V HN 0.938 nan 8.190 nan 0.000 0.424 178 E N 1.965 122.166 120.200 0.002 0.000 2.392 178 E HA 0.427 4.776 4.350 -0.000 0.000 0.269 178 E C -1.443 175.157 176.600 0.001 0.000 0.924 178 E CA -1.052 55.348 56.400 0.001 0.000 0.784 178 E CB 1.887 31.586 29.700 -0.001 0.000 1.292 178 E HN 0.787 nan 8.360 nan 0.000 0.447 179 D N 0.956 121.356 120.400 0.000 0.000 2.449 179 D HA 0.102 4.742 4.640 -0.000 0.000 0.236 179 D C 0.164 176.464 176.300 -0.001 0.000 1.149 179 D CA 0.520 54.520 54.000 -0.000 0.000 0.878 179 D CB 0.853 41.653 40.800 -0.001 0.000 1.198 179 D HN 0.489 nan 8.370 nan 0.000 0.446 180 G N -0.589 108.211 108.800 -0.001 0.000 2.528 180 G HA2 0.271 4.231 3.960 -0.000 0.000 0.289 180 G HA3 0.271 4.231 3.960 -0.000 0.000 0.289 180 G C 1.083 175.983 174.900 -0.002 0.000 1.192 180 G CA -0.239 44.860 45.100 -0.001 0.000 0.921 180 G HN 0.438 nan 8.290 nan 0.000 0.512 181 T N -2.907 111.646 114.554 -0.002 0.000 3.085 181 T HA 0.387 4.736 4.350 -0.000 0.000 0.263 181 T C 1.115 175.814 174.700 -0.002 0.000 1.127 181 T CA 0.791 62.890 62.100 -0.002 0.000 1.103 181 T CB -0.094 68.773 68.868 -0.002 0.000 0.921 181 T HN 2.097 nan 8.240 nan 0.000 0.510 182 G N 1.499 110.298 108.800 -0.001 0.000 3.084 182 G HA2 0.344 4.304 3.960 -0.000 0.000 0.543 182 G HA3 0.344 4.304 3.960 -0.000 0.000 0.543 182 G C -0.800 174.099 174.900 -0.001 0.000 1.239 182 G CA -0.678 44.421 45.100 -0.001 0.000 1.190 182 G HN 0.784 nan 8.290 nan 0.000 0.549 183 L N 0.903 122.126 121.223 -0.001 0.000 0.809 183 L HA -0.153 4.187 4.340 -0.000 0.000 0.364 183 L C 0.292 177.162 176.870 -0.001 0.000 1.004 183 L CA 2.188 57.027 54.840 -0.001 0.000 1.222 183 L CB -0.716 41.342 42.059 -0.001 0.000 0.271 183 L HN 1.988 nan 8.230 nan 0.000 0.176 184 Q N 2.090 121.890 119.800 -0.001 0.000 3.166 184 Q HA -0.090 4.250 4.340 -0.000 0.000 0.045 184 Q C -0.609 175.391 176.000 -0.000 0.000 1.672 184 Q CA 0.969 56.772 55.803 -0.000 0.000 0.274 184 Q CB -0.130 28.608 28.738 -0.000 0.000 0.584 184 Q HN 0.675 nan 8.270 nan 0.000 0.322 185 D N 2.595 122.995 120.400 -0.000 0.000 2.358 185 D HA 0.279 4.918 4.640 -0.000 0.000 0.244 185 D C -0.034 176.266 176.300 -0.000 0.000 1.163 185 D CA 0.143 54.143 54.000 0.000 0.000 0.945 185 D CB 0.773 41.573 40.800 0.001 0.000 1.152 185 D HN 0.324 nan 8.370 nan 0.000 0.451 186 E N -0.039 120.161 120.200 -0.000 0.000 2.292 186 E HA 0.455 4.804 4.350 -0.000 0.000 0.272 186 E C -1.195 175.405 176.600 -0.000 0.000 0.881 186 E CA -0.849 55.551 56.400 -0.000 0.000 0.754 186 E CB 2.442 32.142 29.700 -0.001 0.000 1.201 186 E HN 0.064 nan 8.360 nan 0.000 0.425 187 L N 4.170 125.393 121.223 -0.000 0.000 2.406 187 L HA 0.427 4.766 4.340 -0.000 0.000 0.270 187 L C -1.833 175.037 176.870 -0.000 0.000 0.982 187 L CA -0.289 54.551 54.840 -0.000 0.000 0.843 187 L CB 1.110 43.169 42.059 0.000 0.000 1.225 187 L HN 0.492 nan 8.230 nan 0.000 0.412 188 D N 4.176 124.576 120.400 -0.001 0.000 2.819 188 D HA 0.375 5.015 4.640 -0.000 0.000 0.232 188 D C -1.026 175.274 176.300 -0.000 0.000 1.160 188 D CA -0.482 53.517 54.000 -0.001 0.000 0.858 188 D CB 2.296 43.095 40.800 -0.001 0.000 1.610 188 D HN 0.234 nan 8.370 nan 0.000 0.481 189 V N 1.101 121.015 119.914 -0.000 0.000 2.432 189 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 189 V C 0.806 176.900 176.094 0.001 0.000 1.043 189 V CA -0.581 61.719 62.300 0.000 0.000 0.925 189 V CB 0.996 32.819 31.823 0.000 0.000 0.985 189 V HN 0.595 nan 8.190 nan 0.000 0.466 190 V N 1.812 121.727 119.914 0.001 0.000 3.158 190 V HA 0.688 4.807 4.120 -0.000 0.000 0.315 190 V C -0.208 175.889 176.094 0.004 0.000 1.148 190 V CA -1.006 61.296 62.300 0.002 0.000 1.042 190 V CB 2.149 33.973 31.823 0.001 0.000 1.101 190 V HN 0.665 nan 8.190 nan 0.000 0.448 191 E N 1.584 121.787 120.200 0.005 0.000 2.166 191 E HA 0.596 4.945 4.350 -0.000 0.000 0.279 191 E C 0.158 176.766 176.600 0.012 0.000 1.095 191 E CA 0.715 57.119 56.400 0.008 0.000 0.888 191 E CB 0.726 30.430 29.700 0.007 0.000 1.041 191 E HN 1.119 nan 8.360 nan 0.000 0.414 192 G N 1.730 110.540 108.800 0.017 0.000 2.687 192 G HA2 0.687 4.646 3.960 -0.000 0.000 0.291 192 G HA3 0.687 4.646 3.960 -0.000 0.000 0.291 192 G C -1.141 173.781 174.900 0.036 0.000 1.420 192 G CA -0.584 44.531 45.100 0.026 0.000 0.796 192 G HN 0.384 nan 8.290 nan 0.000 0.485 193 M N -0.322 119.313 119.600 0.057 0.000 2.643 193 M HA 0.580 5.060 4.480 -0.000 0.000 0.276 193 M C -2.388 173.979 176.300 0.112 0.000 1.200 193 M CA -0.668 54.682 55.300 0.083 0.000 0.863 193 M CB 2.489 35.148 32.600 0.099 0.000 1.711 193 M HN 0.640 nan 8.290 nan 0.000 0.492 194 Q N 3.174 123.048 119.800 0.123 0.000 2.271 194 Q HA 0.582 4.921 4.340 -0.000 0.000 0.268 194 Q C -2.219 173.871 176.000 0.149 0.000 1.021 194 Q CA -0.587 55.257 55.803 0.068 0.000 0.802 194 Q CB 2.016 30.747 28.738 -0.011 0.000 1.282 194 Q HN 0.589 nan 8.270 nan 0.000 0.431 195 F N 0.049 119.992 119.950 -0.011 0.000 2.579 195 F HA 0.538 5.065 4.527 -0.000 0.000 0.324 195 F C -0.351 175.441 175.800 -0.013 0.000 1.058 195 F CA -1.289 56.705 58.000 -0.009 0.000 0.944 195 F CB 0.952 39.949 39.000 -0.005 0.000 1.245 195 F HN 0.273 nan 8.300 nan 0.000 0.477 196 D N 3.434 123.900 120.400 0.111 0.000 2.545 196 D HA 0.178 4.817 4.640 -0.000 0.000 0.227 196 D C -0.274 176.042 176.300 0.026 0.000 1.150 196 D CA 0.337 54.345 54.000 0.014 0.000 1.046 196 D CB -0.117 40.709 40.800 0.045 0.000 1.098 196 D HN 0.318 nan 8.370 nan 0.000 0.502 197 R N 0.644 121.078 120.500 -0.110 0.000 2.523 197 R HA 0.421 4.760 4.340 -0.000 0.000 0.278 197 R C 0.134 176.314 176.300 -0.200 0.000 1.150 197 R CA -0.660 55.404 56.100 -0.061 0.000 0.987 197 R CB 1.784 32.183 30.300 0.164 0.000 1.232 197 R HN 0.280 nan 8.270 nan 0.000 0.424 198 G N 1.148 109.826 108.800 -0.204 0.000 2.557 198 G HA2 0.452 4.412 3.960 -0.000 0.000 0.302 198 G HA3 0.452 4.412 3.960 -0.000 0.000 0.302 198 G C -0.553 174.200 174.900 -0.245 0.000 1.311 198 G CA -0.566 44.328 45.100 -0.345 0.000 1.030 198 G HN 0.432 nan 8.290 nan 0.000 0.509 199 Y N -1.198 119.108 120.300 0.009 0.000 2.702 199 Y HA 0.244 4.793 4.550 -0.000 0.000 0.336 199 Y C 1.143 177.120 175.900 0.128 0.000 1.235 199 Y CA -0.957 57.178 58.100 0.059 0.000 1.492 199 Y CB 0.289 38.846 38.460 0.161 0.000 1.308 199 Y HN 0.172 nan 8.280 nan 0.000 0.589 200 L N 2.811 124.259 121.223 0.376 0.000 2.675 200 L HA 0.096 4.435 4.340 -0.000 0.000 0.239 200 L C 0.101 177.226 176.870 0.426 0.000 1.151 200 L CA 0.771 55.812 54.840 0.336 0.000 0.905 200 L CB -1.058 41.161 42.059 0.266 0.000 1.057 200 L HN 0.918 nan 8.230 nan 0.000 0.435 201 S N -3.886 112.158 115.700 0.574 0.000 2.769 201 S HA 0.245 4.715 4.470 -0.000 0.000 0.283 201 S C -2.971 171.680 174.600 0.086 0.000 0.936 201 S CA -1.222 57.169 58.200 0.319 0.000 0.893 201 S CB 0.866 64.181 63.200 0.191 0.000 1.125 201 S HN -0.254 nan 8.310 nan 0.000 0.464 202 P HA 0.421 nan 4.420 nan 0.000 0.327 202 P C 0.343 177.338 177.300 -0.508 0.000 1.342 202 P CA 0.560 63.269 63.100 -0.652 0.000 0.761 202 P CB -0.128 31.165 31.700 -0.679 0.000 1.675 203 Y N -4.867 115.239 120.300 -0.324 0.000 2.802 203 Y HA -0.307 4.243 4.550 -0.000 0.000 0.485 203 Y C 1.889 177.643 175.900 -0.243 0.000 1.190 203 Y CA 1.494 59.415 58.100 -0.298 0.000 2.757 203 Y CB -3.093 35.128 38.460 -0.399 0.000 0.919 203 Y HN 0.103 nan 8.280 nan 0.000 0.540 204 F N 0.612 120.553 119.950 -0.016 0.000 2.250 204 F HA -0.086 4.440 4.527 -0.000 0.000 0.301 204 F C 1.471 177.219 175.800 -0.086 0.000 1.077 204 F CA 0.869 58.849 58.000 -0.034 0.000 1.348 204 F CB -0.624 38.363 39.000 -0.023 0.000 1.040 204 F HN 0.004 nan 8.300 nan 0.000 0.509 205 I N 2.548 123.092 120.570 -0.044 0.000 2.792 205 I HA -0.158 4.012 4.170 -0.000 0.000 0.284 205 I C 0.885 176.996 176.117 -0.010 0.000 1.166 205 I CA 0.215 61.468 61.300 -0.079 0.000 1.375 205 I CB -0.112 37.765 38.000 -0.204 0.000 1.421 205 I HN 0.193 nan 8.210 nan 0.000 0.544 206 N N 5.331 124.047 118.700 0.026 0.000 2.373 206 N HA -0.017 4.723 4.740 -0.000 0.000 0.181 206 N C 0.092 175.611 175.510 0.015 0.000 1.082 206 N CA 0.285 53.352 53.050 0.028 0.000 0.885 206 N CB 0.289 38.801 38.487 0.042 0.000 0.977 206 N HN 0.443 nan 8.380 nan 0.000 0.462 207 K N 1.039 121.446 120.400 0.012 0.000 2.679 207 K HA 0.241 4.561 4.320 -0.000 0.000 0.188 207 K C -2.094 174.508 176.600 0.002 0.000 1.055 207 K CA -1.735 54.557 56.287 0.009 0.000 1.006 207 K CB 2.001 34.510 32.500 0.015 0.000 1.317 207 K HN 0.025 nan 8.250 nan 0.000 0.584 208 P HA -0.180 nan 4.420 nan 0.000 0.223 208 P C 0.275 177.569 177.300 -0.009 0.000 1.144 208 P CA 1.167 64.257 63.100 -0.017 0.000 0.783 208 P CB 0.500 32.187 31.700 -0.022 0.000 0.771 209 E N -0.188 120.010 120.200 -0.004 0.000 2.110 209 E HA -0.094 4.255 4.350 -0.000 0.000 0.193 209 E C 1.613 178.212 176.600 -0.002 0.000 0.988 209 E CA 1.701 58.098 56.400 -0.004 0.000 0.804 209 E CB -1.002 28.698 29.700 -0.001 0.000 0.745 209 E HN 0.267 nan 8.360 nan 0.000 0.458 210 T N -1.441 113.118 114.554 0.008 0.000 3.054 210 T HA 0.272 4.622 4.350 -0.000 0.000 0.255 210 T C 1.096 175.815 174.700 0.032 0.000 1.035 210 T CA 0.278 62.388 62.100 0.017 0.000 0.941 210 T CB 0.727 69.609 68.868 0.024 0.000 1.026 210 T HN 0.332 nan 8.240 nan 0.000 0.533 211 G N 1.821 110.636 108.800 0.024 0.000 2.258 211 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.274 211 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.274 211 G C 0.154 175.116 174.900 0.103 0.000 1.021 211 G CA 0.271 45.393 45.100 0.037 0.000 0.798 211 G HN 0.911 nan 8.290 nan 0.000 0.507 212 A N -1.591 121.281 122.820 0.088 0.000 2.387 212 A HA 0.933 5.253 4.320 -0.000 0.000 0.298 212 A C -0.250 177.392 177.584 0.096 0.000 1.165 212 A CA -0.242 51.880 52.037 0.141 0.000 0.814 212 A CB 1.971 21.030 19.000 0.099 0.000 1.357 212 A HN 1.152 nan 8.150 nan 0.000 0.443 213 V N 0.785 120.775 119.914 0.128 0.000 2.459 213 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 213 V C -0.142 175.987 176.094 0.058 0.000 1.029 213 V CA -0.389 61.966 62.300 0.092 0.000 0.874 213 V CB 1.309 33.208 31.823 0.126 0.000 0.985 213 V HN 0.917 nan 8.190 nan 0.000 0.438 214 E N 4.210 124.435 120.200 0.041 0.000 2.246 214 E HA 0.682 5.032 4.350 -0.000 0.000 0.266 214 E C -1.809 174.801 176.600 0.017 0.000 0.880 214 E CA -0.597 55.816 56.400 0.023 0.000 0.762 214 E CB 1.782 31.492 29.700 0.018 0.000 1.180 214 E HN 0.626 nan 8.360 nan 0.000 0.416 215 L N 3.082 124.309 121.223 0.006 0.000 2.362 215 L HA 0.529 4.869 4.340 -0.000 0.000 0.271 215 L C -0.507 176.353 176.870 -0.017 0.000 1.002 215 L CA -0.862 53.976 54.840 -0.002 0.000 0.818 215 L CB 2.145 44.201 42.059 -0.004 0.000 1.298 215 L HN 0.520 nan 8.230 nan 0.000 0.420 216 E N 0.986 121.170 120.200 -0.027 0.000 2.176 216 E HA 0.322 4.671 4.350 -0.000 0.000 0.267 216 E C -0.494 176.062 176.600 -0.073 0.000 0.893 216 E CA -0.576 55.800 56.400 -0.040 0.000 0.761 216 E CB 1.707 31.389 29.700 -0.030 0.000 1.133 216 E HN 0.605 nan 8.360 nan 0.000 0.409 217 S N 1.954 117.601 115.700 -0.090 0.000 3.550 217 S HA -0.131 4.338 4.470 -0.000 0.000 0.372 217 S C -2.142 172.311 174.600 -0.244 0.000 0.966 217 S CA 0.428 58.538 58.200 -0.149 0.000 1.229 217 S CB -1.411 61.704 63.200 -0.142 0.000 0.917 217 S HN 0.491 nan 8.310 nan 0.000 0.496 218 P HA 0.586 nan 4.420 nan 0.000 0.283 218 P C -0.233 176.920 177.300 -0.244 0.000 1.278 218 P CA -0.754 62.226 63.100 -0.200 0.000 0.834 218 P CB 0.608 32.271 31.700 -0.061 0.000 1.150 219 F N 0.023 119.979 119.950 0.009 0.000 2.379 219 F HA 0.410 4.937 4.527 -0.000 0.000 0.332 219 F C 0.872 176.677 175.800 0.008 0.000 1.096 219 F CA -0.349 57.656 58.000 0.008 0.000 1.105 219 F CB 0.620 39.624 39.000 0.007 0.000 1.189 219 F HN 0.019 nan 8.300 nan 0.000 0.515 220 I N 4.720 125.421 120.570 0.219 0.000 2.390 220 I HA 0.198 4.367 4.170 -0.000 0.000 0.283 220 I C -1.041 175.131 176.117 0.091 0.000 1.016 220 I CA -0.869 60.504 61.300 0.121 0.000 1.151 220 I CB 1.394 39.447 38.000 0.088 0.000 1.293 220 I HN 0.270 nan 8.210 nan 0.000 0.458 221 L N 8.310 129.574 121.223 0.069 0.000 2.313 221 L HA 0.344 4.684 4.340 -0.000 0.000 0.282 221 L C -0.589 176.295 176.870 0.024 0.000 1.092 221 L CA 0.305 55.167 54.840 0.037 0.000 0.831 221 L CB 0.439 42.514 42.059 0.028 0.000 1.159 221 L HN 0.479 nan 8.230 nan 0.000 0.442 222 L N 6.925 128.155 121.223 0.012 0.000 2.417 222 L HA 0.536 4.875 4.340 -0.000 0.000 0.258 222 L C 0.216 177.082 176.870 -0.007 0.000 1.088 222 L CA -0.395 54.443 54.840 -0.004 0.000 0.975 222 L CB 0.519 42.570 42.059 -0.013 0.000 1.341 222 L HN 0.791 nan 8.230 nan 0.000 0.431 223 A N 0.726 123.544 122.820 -0.002 0.000 2.276 223 A HA 0.270 4.590 4.320 -0.000 0.000 0.300 223 A C -0.036 177.546 177.584 -0.003 0.000 1.235 223 A CA -0.410 51.627 52.037 -0.001 0.000 0.867 223 A CB 0.443 19.447 19.000 0.006 0.000 1.137 223 A HN 0.588 nan 8.150 nan 0.000 0.527 224 D N 2.289 122.685 120.400 -0.006 0.000 2.741 224 D HA 0.355 4.995 4.640 -0.000 0.000 0.233 224 D C 0.030 176.331 176.300 0.002 0.000 1.160 224 D CA 0.140 54.135 54.000 -0.007 0.000 1.003 224 D CB -0.593 40.199 40.800 -0.014 0.000 1.064 224 D HN 0.649 nan 8.370 nan 0.000 0.503 225 K N -0.850 119.556 120.400 0.009 0.000 2.999 225 K HA 0.255 4.575 4.320 -0.000 0.000 0.295 225 K C -1.248 175.365 176.600 0.022 0.000 1.082 225 K CA -1.160 55.136 56.287 0.015 0.000 0.816 225 K CB 0.613 33.120 32.500 0.012 0.000 1.492 225 K HN -0.173 nan 8.250 nan 0.000 0.362 226 K N 0.906 121.321 120.400 0.025 0.000 2.185 226 K HA 0.431 4.751 4.320 -0.000 0.000 0.271 226 K C -0.513 176.104 176.600 0.029 0.000 1.013 226 K CA -0.497 55.808 56.287 0.031 0.000 0.943 226 K CB 0.771 33.291 32.500 0.033 0.000 0.998 226 K HN 0.371 nan 8.250 nan 0.000 0.468 227 I N 2.093 122.684 120.570 0.035 0.000 2.390 227 I HA 0.074 4.244 4.170 -0.000 0.000 0.283 227 I C 0.302 176.442 176.117 0.038 0.000 1.016 227 I CA -0.084 61.236 61.300 0.034 0.000 1.151 227 I CB 1.759 39.780 38.000 0.036 0.000 1.293 227 I HN 0.646 nan 8.210 nan 0.000 0.458 228 S N 3.326 119.045 115.700 0.031 0.000 2.566 228 S HA 0.191 4.661 4.470 -0.000 0.000 0.234 228 S C 0.686 175.303 174.600 0.027 0.000 1.075 228 S CA -0.003 58.216 58.200 0.031 0.000 0.926 228 S CB 0.219 63.435 63.200 0.026 0.000 0.811 228 S HN 0.579 nan 8.310 nan 0.000 0.518 229 N N 1.928 120.642 118.700 0.023 0.000 2.434 229 N HA 0.290 5.029 4.740 -0.000 0.000 0.272 229 N C 0.520 176.042 175.510 0.021 0.000 1.040 229 N CA -0.100 52.962 53.050 0.019 0.000 0.956 229 N CB 1.681 40.176 38.487 0.015 0.000 1.108 229 N HN 0.172 nan 8.380 nan 0.000 0.481 230 I N 2.825 123.408 120.570 0.021 0.000 2.493 230 I HA -0.219 3.951 4.170 -0.000 0.000 0.254 230 I C 1.957 178.084 176.117 0.016 0.000 1.160 230 I CA 1.000 62.313 61.300 0.022 0.000 1.445 230 I CB 0.214 38.227 38.000 0.021 0.000 1.086 230 I HN 0.424 nan 8.210 nan 0.000 0.433 231 R N 0.920 121.427 120.500 0.012 0.000 2.134 231 R HA -0.267 4.073 4.340 -0.000 0.000 0.248 231 R C 2.012 178.317 176.300 0.007 0.000 1.143 231 R CA 2.377 58.482 56.100 0.008 0.000 0.957 231 R CB -0.636 29.668 30.300 0.007 0.000 0.867 231 R HN 0.563 nan 8.270 nan 0.000 0.441 232 E N -0.101 120.104 120.200 0.009 0.000 2.118 232 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 232 E C 2.009 178.612 176.600 0.005 0.000 0.992 232 E CA 1.190 57.594 56.400 0.006 0.000 0.804 232 E CB -0.038 29.668 29.700 0.009 0.000 0.741 232 E HN 0.287 nan 8.360 nan 0.000 0.458 233 M N 0.194 119.800 119.600 0.011 0.000 2.287 233 M HA -0.010 4.470 4.480 -0.000 0.000 0.266 233 M C 2.341 178.645 176.300 0.007 0.000 1.079 233 M CA 0.881 56.188 55.300 0.011 0.000 1.146 233 M CB -0.782 31.831 32.600 0.022 0.000 1.374 233 M HN 0.139 nan 8.290 nan 0.000 0.435 234 L N 0.740 121.968 121.223 0.007 0.000 2.058 234 L HA -0.274 4.066 4.340 -0.000 0.000 0.226 234 L C -0.178 176.691 176.870 -0.002 0.000 1.089 234 L CA 2.077 56.920 54.840 0.005 0.000 0.799 234 L CB -2.661 39.400 42.059 0.004 0.000 0.900 234 L HN 0.206 nan 8.230 nan 0.000 0.442 235 P HA -0.120 nan 4.420 nan 0.000 0.215 235 P C 1.867 179.152 177.300 -0.026 0.000 1.157 235 P CA 1.563 64.654 63.100 -0.015 0.000 0.863 235 P CB 0.001 31.691 31.700 -0.016 0.000 0.787 236 V N 0.422 120.319 119.914 -0.027 0.000 2.379 236 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 236 V C 2.904 178.976 176.094 -0.037 0.000 1.044 236 V CA 1.327 63.600 62.300 -0.045 0.000 1.036 236 V CB -1.283 30.516 31.823 -0.040 0.000 0.664 236 V HN -0.020 nan 8.190 nan 0.000 0.453 237 L N -0.124 121.092 121.223 -0.010 0.000 2.079 237 L HA -0.223 4.116 4.340 -0.000 0.000 0.210 237 L C 2.593 179.467 176.870 0.005 0.000 1.081 237 L CA 1.807 56.652 54.840 0.008 0.000 0.752 237 L CB -0.621 41.450 42.059 0.020 0.000 0.896 237 L HN 0.420 nan 8.230 nan 0.000 0.433 238 E N 0.031 120.228 120.200 -0.004 0.000 2.107 238 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 238 E C 2.319 178.910 176.600 -0.015 0.000 0.982 238 E CA 0.958 57.356 56.400 -0.004 0.000 0.809 238 E CB -0.153 29.544 29.700 -0.006 0.000 0.756 238 E HN 0.484 nan 8.360 nan 0.000 0.459 239 A N 1.007 123.803 122.820 -0.041 0.000 1.972 239 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 239 A C 2.360 179.892 177.584 -0.087 0.000 1.169 239 A CA 1.067 53.060 52.037 -0.073 0.000 0.635 239 A CB -0.301 18.632 19.000 -0.113 0.000 0.810 239 A HN 0.121 nan 8.150 nan 0.000 0.446 240 V N -0.733 119.144 119.914 -0.061 0.000 3.235 240 V HA -0.019 4.101 4.120 -0.000 0.000 0.259 240 V C 2.809 178.951 176.094 0.079 0.000 1.133 240 V CA 1.043 63.350 62.300 0.011 0.000 1.128 240 V CB -0.737 31.121 31.823 0.059 0.000 0.757 240 V HN 0.574 nan 8.190 nan 0.000 0.469 241 A N 0.166 123.011 122.820 0.042 0.000 1.940 241 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 241 A C 1.572 179.188 177.584 0.053 0.000 1.176 241 A CA 1.317 53.382 52.037 0.046 0.000 0.631 241 A CB -0.198 18.819 19.000 0.027 0.000 0.814 241 A HN 0.542 nan 8.150 nan 0.000 0.446 242 K N -2.973 117.454 120.400 0.045 0.000 2.155 242 K HA 0.474 4.794 4.320 -0.000 0.000 0.237 242 K C 1.062 177.719 176.600 0.096 0.000 1.040 242 K CA 0.138 56.456 56.287 0.051 0.000 0.912 242 K CB 0.218 32.735 32.500 0.029 0.000 1.137 242 K HN 0.684 nan 8.250 nan 0.000 0.498 243 A N -0.048 122.829 122.820 0.096 0.000 3.721 243 A HA -0.216 4.104 4.320 -0.000 0.000 0.270 243 A C 1.126 178.783 177.584 0.121 0.000 1.036 243 A CA 1.522 53.644 52.037 0.141 0.000 1.102 243 A CB -2.487 16.676 19.000 0.272 0.000 1.100 243 A HN 1.377 nan 8.150 nan 0.000 0.887 244 G N -0.995 107.865 108.800 0.100 0.000 2.395 244 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.300 244 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.300 244 G C -0.096 174.840 174.900 0.059 0.000 0.998 244 G CA 1.468 46.610 45.100 0.070 0.000 1.046 244 G HN 1.177 nan 8.290 nan 0.000 0.513 245 K N 0.505 120.966 120.400 0.102 0.000 2.316 245 K HA 0.518 4.838 4.320 -0.000 0.000 0.251 245 K C -2.291 174.357 176.600 0.081 0.000 0.934 245 K CA -2.066 54.234 56.287 0.022 0.000 0.802 245 K CB 2.933 35.324 32.500 -0.180 0.000 1.171 245 K HN 0.071 nan 8.250 nan 0.000 0.426 246 P HA 0.131 nan 4.420 nan 0.000 0.274 246 P C -1.154 176.201 177.300 0.091 0.000 1.246 246 P CA -0.572 62.560 63.100 0.054 0.000 0.795 246 P CB 0.755 32.468 31.700 0.021 0.000 1.006 247 L N 1.856 123.137 121.223 0.097 0.000 2.386 247 L HA 0.536 4.876 4.340 -0.000 0.000 0.271 247 L C -1.315 175.586 176.870 0.051 0.000 0.993 247 L CA -0.991 53.917 54.840 0.114 0.000 0.819 247 L CB 1.581 43.714 42.059 0.123 0.000 1.294 247 L HN 0.173 nan 8.230 nan 0.000 0.414 248 L N 6.101 127.356 121.223 0.052 0.000 2.298 248 L HA 0.587 4.926 4.340 -0.000 0.000 0.284 248 L C -1.143 175.741 176.870 0.023 0.000 1.013 248 L CA -0.210 54.638 54.840 0.014 0.000 0.824 248 L CB 1.076 43.152 42.059 0.029 0.000 1.221 248 L HN 0.424 nan 8.230 nan 0.000 0.418 249 I N 7.236 127.799 120.570 -0.011 0.000 2.301 249 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 249 I C 0.068 176.199 176.117 0.023 0.000 1.046 249 I CA -0.039 61.265 61.300 0.007 0.000 1.282 249 I CB 0.835 38.834 38.000 -0.002 0.000 1.409 249 I HN 0.581 nan 8.210 nan 0.000 0.484 250 I N 6.229 126.821 120.570 0.037 0.000 2.523 250 I HA 0.381 4.551 4.170 -0.000 0.000 0.281 250 I C 0.574 176.703 176.117 0.020 0.000 1.126 250 I CA -0.167 61.161 61.300 0.047 0.000 1.187 250 I CB 0.639 38.663 38.000 0.041 0.000 1.478 250 I HN 0.595 nan 8.210 nan 0.000 0.522 251 A N 3.110 125.947 122.820 0.029 0.000 2.284 251 A HA 0.390 4.709 4.320 -0.000 0.000 0.317 251 A C 1.184 178.786 177.584 0.030 0.000 1.120 251 A CA -0.468 51.582 52.037 0.023 0.000 0.900 251 A CB 0.950 19.967 19.000 0.028 0.000 1.319 251 A HN 0.629 nan 8.150 nan 0.000 0.494 252 E N -0.872 119.344 120.200 0.027 0.000 2.204 252 E HA -0.118 4.231 4.350 -0.000 0.000 0.195 252 E C -0.540 176.090 176.600 0.050 0.000 0.990 252 E CA 1.474 57.895 56.400 0.036 0.000 0.821 252 E CB 0.109 29.829 29.700 0.034 0.000 0.750 252 E HN 0.643 nan 8.360 nan 0.000 0.477 253 D N -2.256 118.173 120.400 0.050 0.000 2.898 253 D HA 0.023 4.663 4.640 -0.000 0.000 0.254 253 D C -1.963 174.373 176.300 0.059 0.000 1.107 253 D CA -0.444 53.592 54.000 0.059 0.000 0.729 253 D CB 1.174 42.008 40.800 0.057 0.000 1.734 253 D HN -0.135 nan 8.370 nan 0.000 0.452 254 V N 3.212 123.170 119.914 0.074 0.000 2.304 254 V HA 0.389 4.509 4.120 -0.000 0.000 0.278 254 V C 0.261 176.407 176.094 0.086 0.000 1.018 254 V CA -0.579 61.769 62.300 0.081 0.000 0.814 254 V CB 1.023 32.906 31.823 0.100 0.000 1.021 254 V HN 0.441 nan 8.190 nan 0.000 0.440 255 E N 2.635 122.875 120.200 0.068 0.000 2.371 255 E HA 0.354 4.703 4.350 -0.000 0.000 0.257 255 E C 1.472 178.109 176.600 0.061 0.000 1.134 255 E CA 0.192 56.628 56.400 0.061 0.000 0.919 255 E CB 0.928 30.656 29.700 0.047 0.000 1.025 255 E HN 0.652 nan 8.360 nan 0.000 0.438 256 G N 1.599 110.431 108.800 0.053 0.000 2.864 256 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.250 256 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.250 256 G C 1.294 176.217 174.900 0.039 0.000 1.154 256 G CA 1.421 46.547 45.100 0.045 0.000 0.755 256 G HN 0.669 nan 8.290 nan 0.000 0.697 257 E N 1.035 121.253 120.200 0.031 0.000 2.082 257 E HA -0.272 4.078 4.350 -0.000 0.000 0.215 257 E C 2.957 179.576 176.600 0.032 0.000 1.048 257 E CA 2.152 58.567 56.400 0.025 0.000 0.869 257 E CB -0.901 28.812 29.700 0.022 0.000 0.773 257 E HN 0.411 nan 8.360 nan 0.000 0.466 258 A N 0.929 123.775 122.820 0.042 0.000 1.877 258 A HA -0.181 4.138 4.320 -0.000 0.000 0.216 258 A C 2.362 179.991 177.584 0.076 0.000 1.186 258 A CA 1.749 53.818 52.037 0.053 0.000 0.620 258 A CB -0.852 18.180 19.000 0.054 0.000 0.822 258 A HN 0.355 nan 8.150 nan 0.000 0.443 259 L N -0.092 121.186 121.223 0.092 0.000 2.012 259 L HA -0.122 4.217 4.340 -0.000 0.000 0.210 259 L C 2.726 179.649 176.870 0.089 0.000 1.073 259 L CA 2.363 57.285 54.840 0.137 0.000 0.748 259 L CB -0.916 41.229 42.059 0.144 0.000 0.891 259 L HN 0.371 nan 8.230 nan 0.000 0.431 260 A N -1.628 121.217 122.820 0.042 0.000 1.917 260 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 260 A C 2.271 179.841 177.584 -0.022 0.000 1.182 260 A CA 2.574 54.606 52.037 -0.008 0.000 0.633 260 A CB -1.319 17.676 19.000 -0.009 0.000 0.819 260 A HN 0.554 nan 8.150 nan 0.000 0.448 261 T N 0.511 115.070 114.554 0.008 0.000 2.708 261 T HA -0.090 4.259 4.350 -0.000 0.000 0.266 261 T C 1.816 176.529 174.700 0.021 0.000 1.037 261 T CA 1.481 63.585 62.100 0.007 0.000 1.146 261 T CB -0.430 68.450 68.868 0.021 0.000 0.865 261 T HN 0.387 nan 8.240 nan 0.000 0.435 262 L N 0.875 122.141 121.223 0.072 0.000 2.079 262 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 262 L C 2.653 179.576 176.870 0.089 0.000 1.081 262 L CA 0.923 55.848 54.840 0.142 0.000 0.752 262 L CB -0.799 41.425 42.059 0.274 0.000 0.896 262 L HN 0.160 nan 8.230 nan 0.000 0.433 263 V N -0.907 118.975 119.914 -0.052 0.000 2.427 263 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 263 V C 2.356 178.312 176.094 -0.230 0.000 1.051 263 V CA 1.344 63.475 62.300 -0.281 0.000 1.048 263 V CB -0.176 31.425 31.823 -0.371 0.000 0.666 263 V HN 0.205 nan 8.190 nan 0.000 0.456 264 V N 0.513 120.335 119.914 -0.153 0.000 2.323 264 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 264 V C 2.070 178.120 176.094 -0.074 0.000 1.041 264 V CA 2.239 64.461 62.300 -0.130 0.000 1.025 264 V CB -0.930 30.836 31.823 -0.096 0.000 0.656 264 V HN 0.601 nan 8.190 nan 0.000 0.451 265 N N 0.754 119.436 118.700 -0.031 0.000 2.058 265 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 265 N C 1.881 177.397 175.510 0.010 0.000 1.037 265 N CA 1.883 54.931 53.050 -0.002 0.000 0.848 265 N CB -0.300 38.200 38.487 0.022 0.000 1.021 265 N HN 0.631 nan 8.380 nan 0.000 0.422 266 T N -1.042 113.533 114.554 0.035 0.000 3.051 266 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 266 T C 1.631 176.342 174.700 0.019 0.000 1.127 266 T CA 0.652 62.789 62.100 0.062 0.000 1.107 266 T CB -0.056 68.905 68.868 0.154 0.000 0.898 266 T HN 0.052 nan 8.240 nan 0.000 0.517 267 M N 0.782 120.362 119.600 -0.033 0.000 2.447 267 M HA 0.291 4.771 4.480 -0.000 0.000 0.264 267 M C 1.708 177.987 176.300 -0.036 0.000 1.095 267 M CA 0.940 56.204 55.300 -0.060 0.000 1.125 267 M CB 0.003 32.522 32.600 -0.135 0.000 1.389 267 M HN 0.066 nan 8.290 nan 0.000 0.459 268 R N -0.902 119.583 120.500 -0.024 0.000 2.552 268 R HA 0.392 4.731 4.340 -0.000 0.000 0.314 268 R C 1.023 177.322 176.300 -0.001 0.000 1.041 268 R CA 0.477 56.567 56.100 -0.016 0.000 1.076 268 R CB -0.109 30.180 30.300 -0.019 0.000 1.290 268 R HN 0.508 nan 8.270 nan 0.000 0.563 269 G N 1.675 110.480 108.800 0.008 0.000 2.196 269 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.268 269 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.268 269 G C 0.395 175.308 174.900 0.022 0.000 0.975 269 G CA 0.101 45.211 45.100 0.017 0.000 0.648 269 G HN 0.381 nan 8.290 nan 0.000 0.538 270 I N 1.738 122.319 120.570 0.019 0.000 2.472 270 I HA 0.325 4.495 4.170 -0.000 0.000 0.305 270 I C 0.795 176.934 176.117 0.036 0.000 1.196 270 I CA -0.091 61.222 61.300 0.023 0.000 1.613 270 I CB -0.308 37.701 38.000 0.015 0.000 1.501 270 I HN 0.152 nan 8.210 nan 0.000 0.754 271 V N 4.137 124.076 119.914 0.042 0.000 3.493 271 V HA -0.224 3.895 4.120 -0.000 0.000 0.498 271 V C -0.027 176.109 176.094 0.069 0.000 0.682 271 V CA 0.195 62.529 62.300 0.056 0.000 2.046 271 V CB -0.919 30.938 31.823 0.057 0.000 2.479 271 V HN 0.717 nan 8.190 nan 0.000 0.507 272 K N 4.257 124.700 120.400 0.072 0.000 2.273 272 K HA 0.684 5.004 4.320 -0.000 0.000 0.287 272 K C -0.486 176.169 176.600 0.091 0.000 1.089 272 K CA -0.172 56.166 56.287 0.085 0.000 0.909 272 K CB 1.463 34.002 32.500 0.066 0.000 1.123 272 K HN 0.555 nan 8.250 nan 0.000 0.473 273 V N 1.595 121.583 119.914 0.123 0.000 2.709 273 V HA 0.808 4.928 4.120 -0.000 0.000 0.308 273 V C -0.752 175.359 176.094 0.027 0.000 1.062 273 V CA -1.108 61.243 62.300 0.084 0.000 0.901 273 V CB 1.978 33.860 31.823 0.097 0.000 1.003 273 V HN 0.747 nan 8.190 nan 0.000 0.425 274 A N 3.103 125.794 122.820 -0.215 0.000 2.386 274 A HA 1.018 5.338 4.320 -0.000 0.000 0.311 274 A C -0.464 176.766 177.584 -0.591 0.000 1.068 274 A CA -0.289 51.284 52.037 -0.772 0.000 0.743 274 A CB 1.891 20.616 19.000 -0.459 0.000 1.258 274 A HN 1.530 nan 8.150 nan 0.000 0.429 275 A N 0.824 123.156 122.820 -0.812 0.000 2.386 275 A HA 0.839 5.159 4.320 -0.000 0.000 0.311 275 A C -0.463 177.039 177.584 -0.137 0.000 1.068 275 A CA -0.126 51.743 52.037 -0.280 0.000 0.743 275 A CB 1.340 20.279 19.000 -0.102 0.000 1.258 275 A HN 2.303 nan 8.150 nan 0.000 0.429 276 V N -0.578 119.327 119.914 -0.014 0.000 2.971 276 V HA 0.605 4.725 4.120 -0.000 0.000 0.309 276 V C -0.529 175.630 176.094 0.109 0.000 1.130 276 V CA -1.212 61.122 62.300 0.057 0.000 0.964 276 V CB 1.441 33.303 31.823 0.065 0.000 1.029 276 V HN 0.889 nan 8.190 nan 0.000 0.427 277 K N 2.158 122.628 120.400 0.117 0.000 2.276 277 K HA 0.620 4.940 4.320 -0.000 0.000 0.259 277 K C 0.451 177.143 176.600 0.153 0.000 1.001 277 K CA 0.371 56.727 56.287 0.115 0.000 0.927 277 K CB 0.954 33.514 32.500 0.100 0.000 0.969 277 K HN 1.137 nan 8.250 nan 0.000 0.490 278 A N 3.562 126.428 122.820 0.076 0.000 2.388 278 A HA 0.263 4.583 4.320 -0.000 0.000 0.257 278 A C -2.063 175.528 177.584 0.012 0.000 1.095 278 A CA -1.356 50.674 52.037 -0.011 0.000 0.791 278 A CB -0.239 18.736 19.000 -0.042 0.000 1.029 278 A HN 0.469 nan 8.150 nan 0.000 0.489 279 P HA 0.315 nan 4.420 nan 0.000 0.269 279 P C 0.725 178.047 177.300 0.037 0.000 1.209 279 P CA 1.477 64.586 63.100 0.014 0.000 0.776 279 P CB 0.435 32.053 31.700 -0.137 0.000 0.876 280 G N 1.830 110.702 108.800 0.121 0.000 2.752 280 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.234 280 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.234 280 G C -0.767 174.295 174.900 0.270 0.000 1.367 280 G CA 0.090 45.298 45.100 0.181 0.000 0.879 280 G HN 0.777 nan 8.290 nan 0.000 0.563 281 F N -2.513 117.448 119.950 0.019 0.000 2.662 281 F HA 0.819 5.345 4.527 -0.000 0.000 0.312 281 F C 0.962 176.774 175.800 0.020 0.000 1.113 281 F CA 0.238 58.249 58.000 0.020 0.000 0.951 281 F CB 0.956 39.973 39.000 0.028 0.000 1.344 281 F HN 2.487 nan 8.300 nan 0.000 0.462 282 G N 1.404 110.154 108.800 -0.083 0.000 2.550 282 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.277 282 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.277 282 G C 0.310 175.117 174.900 -0.156 0.000 1.190 282 G CA 0.597 45.591 45.100 -0.177 0.000 0.971 282 G HN 0.859 nan 8.290 nan 0.000 0.559 283 D N 1.118 121.411 120.400 -0.179 0.000 2.077 283 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 283 D C 2.528 178.752 176.300 -0.127 0.000 0.986 283 D CA 1.727 55.655 54.000 -0.121 0.000 0.829 283 D CB -0.394 40.346 40.800 -0.100 0.000 0.983 283 D HN 0.731 nan 8.370 nan 0.000 0.453 284 R N 1.495 121.893 120.500 -0.170 0.000 2.185 284 R HA -0.158 4.182 4.340 -0.000 0.000 0.247 284 R C 2.216 178.446 176.300 -0.117 0.000 1.159 284 R CA 1.313 57.326 56.100 -0.144 0.000 0.988 284 R CB -0.517 29.681 30.300 -0.170 0.000 0.871 284 R HN 0.113 nan 8.270 nan 0.000 0.458 285 R N 1.590 122.020 120.500 -0.116 0.000 2.080 285 R HA -0.164 4.176 4.340 -0.000 0.000 0.236 285 R C 1.734 177.990 176.300 -0.073 0.000 1.137 285 R CA 2.232 58.289 56.100 -0.072 0.000 0.943 285 R CB -0.125 30.156 30.300 -0.032 0.000 0.846 285 R HN 0.336 nan 8.270 nan 0.000 0.431 286 K N 0.011 120.372 120.400 -0.065 0.000 2.032 286 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 286 K C 2.189 178.750 176.600 -0.064 0.000 1.048 286 K CA 1.504 57.757 56.287 -0.057 0.000 0.927 286 K CB -0.232 32.241 32.500 -0.046 0.000 0.712 286 K HN 0.272 nan 8.250 nan 0.000 0.441 287 A N 1.318 124.097 122.820 -0.069 0.000 1.933 287 A HA -0.160 4.159 4.320 -0.000 0.000 0.218 287 A C 2.138 179.677 177.584 -0.076 0.000 1.175 287 A CA 1.584 53.581 52.037 -0.067 0.000 0.628 287 A CB -0.465 18.494 19.000 -0.069 0.000 0.814 287 A HN 0.201 nan 8.150 nan 0.000 0.444 288 M N -1.121 118.424 119.600 -0.091 0.000 2.200 288 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 288 M C 2.172 178.387 176.300 -0.142 0.000 1.066 288 M CA 0.993 56.225 55.300 -0.114 0.000 1.127 288 M CB -0.292 32.234 32.600 -0.124 0.000 1.379 288 M HN 0.441 nan 8.290 nan 0.000 0.420 289 L N 0.283 121.427 121.223 -0.131 0.000 2.191 289 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 289 L C 2.528 179.339 176.870 -0.099 0.000 1.103 289 L CA 1.312 56.071 54.840 -0.135 0.000 0.769 289 L CB -0.168 41.833 42.059 -0.097 0.000 0.908 289 L HN 0.326 nan 8.230 nan 0.000 0.438 290 Q N 0.008 119.761 119.800 -0.078 0.000 2.083 290 Q HA -0.200 4.139 4.340 -0.000 0.000 0.198 290 Q C 1.715 177.682 176.000 -0.055 0.000 0.969 290 Q CA 1.753 57.522 55.803 -0.057 0.000 0.838 290 Q CB -0.122 28.587 28.738 -0.047 0.000 0.900 290 Q HN 0.436 nan 8.270 nan 0.000 0.436 291 D N -0.025 120.335 120.400 -0.066 0.000 2.149 291 D HA -0.164 4.475 4.640 -0.000 0.000 0.198 291 D C 1.812 178.080 176.300 -0.053 0.000 0.990 291 D CA 1.356 55.322 54.000 -0.056 0.000 0.839 291 D CB -0.027 40.736 40.800 -0.062 0.000 0.948 291 D HN 0.397 nan 8.370 nan 0.000 0.460 292 I N 1.196 121.718 120.570 -0.080 0.000 2.315 292 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 292 I C 2.620 178.717 176.117 -0.032 0.000 1.117 292 I CA 0.720 61.979 61.300 -0.068 0.000 1.404 292 I CB -0.237 37.686 38.000 -0.129 0.000 1.071 292 I HN -0.093 nan 8.210 nan 0.000 0.419 293 A N 0.764 123.562 122.820 -0.035 0.000 1.877 293 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 293 A C 2.385 179.964 177.584 -0.008 0.000 1.186 293 A CA 2.504 54.531 52.037 -0.016 0.000 0.620 293 A CB -1.181 17.807 19.000 -0.020 0.000 0.822 293 A HN 0.370 nan 8.150 nan 0.000 0.443 294 T N 0.308 114.854 114.554 -0.014 0.000 2.803 294 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 294 T C 1.768 176.466 174.700 -0.003 0.000 1.052 294 T CA 1.309 63.404 62.100 -0.009 0.000 1.136 294 T CB -0.223 68.637 68.868 -0.014 0.000 0.864 294 T HN 0.288 nan 8.240 nan 0.000 0.467 295 L N 1.764 122.985 121.223 -0.002 0.000 2.095 295 L HA 0.020 4.360 4.340 -0.000 0.000 0.204 295 L C 2.375 179.252 176.870 0.013 0.000 1.080 295 L CA 2.091 56.934 54.840 0.006 0.000 0.759 295 L CB -1.262 40.802 42.059 0.008 0.000 0.914 295 L HN 0.413 nan 8.230 nan 0.000 0.439 296 T N -3.813 110.751 114.554 0.017 0.000 3.107 296 T HA 0.223 4.573 4.350 -0.000 0.000 0.249 296 T C 1.273 175.992 174.700 0.032 0.000 1.096 296 T CA 0.395 62.511 62.100 0.027 0.000 1.012 296 T CB -0.122 68.768 68.868 0.037 0.000 0.977 296 T HN 0.526 nan 8.240 nan 0.000 0.527 297 G N 0.590 109.403 108.800 0.023 0.000 2.221 297 G HA2 0.004 3.964 3.960 -0.000 0.000 0.265 297 G HA3 0.004 3.964 3.960 -0.000 0.000 0.265 297 G C 0.349 175.268 174.900 0.032 0.000 1.041 297 G CA -0.136 44.979 45.100 0.025 0.000 0.807 297 G HN 1.021 nan 8.290 nan 0.000 0.502 298 G N -1.711 107.105 108.800 0.026 0.000 2.642 298 G HA2 0.778 4.737 3.960 -0.000 0.000 0.291 298 G HA3 0.778 4.737 3.960 -0.000 0.000 0.291 298 G C -0.435 174.470 174.900 0.009 0.000 1.345 298 G CA 0.177 45.293 45.100 0.026 0.000 1.043 298 G HN 0.693 nan 8.290 nan 0.000 0.528 299 T N 0.240 114.796 114.554 0.004 0.000 2.881 299 T HA 0.387 4.737 4.350 -0.000 0.000 0.291 299 T C -0.110 174.585 174.700 -0.009 0.000 0.990 299 T CA -0.282 61.815 62.100 -0.005 0.000 0.976 299 T CB 1.599 70.463 68.868 -0.007 0.000 0.970 299 T HN 0.366 nan 8.240 nan 0.000 0.438 300 V N 4.795 124.701 119.914 -0.014 0.000 2.540 300 V HA 0.153 4.273 4.120 -0.000 0.000 0.297 300 V C 0.503 176.589 176.094 -0.014 0.000 1.024 300 V CA 0.069 62.359 62.300 -0.017 0.000 1.105 300 V CB 0.009 31.818 31.823 -0.023 0.000 0.938 300 V HN 0.779 nan 8.190 nan 0.000 0.482 301 I N 5.546 126.109 120.570 -0.012 0.000 2.316 301 I HA 0.224 4.394 4.170 -0.000 0.000 0.286 301 I C 0.504 176.616 176.117 -0.008 0.000 1.107 301 I CA 0.112 61.407 61.300 -0.010 0.000 1.219 301 I CB 0.474 38.469 38.000 -0.008 0.000 1.455 301 I HN 0.726 nan 8.210 nan 0.000 0.498 302 S N 2.598 118.292 115.700 -0.009 0.000 2.565 302 S HA 0.376 4.846 4.470 -0.000 0.000 0.290 302 S C 0.630 175.227 174.600 -0.005 0.000 1.150 302 S CA -0.816 57.379 58.200 -0.008 0.000 1.058 302 S CB 2.071 65.265 63.200 -0.011 0.000 1.032 302 S HN 0.530 nan 8.310 nan 0.000 0.510 303 E N 1.102 121.300 120.200 -0.003 0.000 2.347 303 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 303 E C 1.309 177.907 176.600 -0.002 0.000 1.008 303 E CA 0.626 57.025 56.400 -0.002 0.000 0.852 303 E CB -0.052 29.649 29.700 0.001 0.000 0.783 303 E HN 0.783 nan 8.360 nan 0.000 0.505 304 E N 0.570 120.768 120.200 -0.004 0.000 2.160 304 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 304 E C 1.377 177.974 176.600 -0.005 0.000 0.991 304 E CA 0.795 57.192 56.400 -0.005 0.000 0.810 304 E CB 0.019 29.715 29.700 -0.007 0.000 0.742 304 E HN 0.336 nan 8.360 nan 0.000 0.466 305 I N 0.039 120.606 120.570 -0.006 0.000 3.891 305 I HA 0.157 4.327 4.170 -0.000 0.000 0.331 305 I C 0.772 176.886 176.117 -0.006 0.000 1.406 305 I CA -0.144 61.152 61.300 -0.007 0.000 1.139 305 I CB 0.226 38.221 38.000 -0.008 0.000 1.056 305 I HN 0.060 nan 8.210 nan 0.000 0.399 306 G N 2.194 110.991 108.800 -0.004 0.000 2.323 306 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.292 306 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.292 306 G C 0.032 174.930 174.900 -0.005 0.000 1.040 306 G CA 0.134 45.231 45.100 -0.004 0.000 0.942 306 G HN 0.369 nan 8.290 nan 0.000 0.506 307 M N -0.257 119.339 119.600 -0.005 0.000 2.363 307 M HA 0.508 4.987 4.480 -0.000 0.000 0.343 307 M C 0.258 176.555 176.300 -0.005 0.000 1.165 307 M CA -0.343 54.953 55.300 -0.006 0.000 1.046 307 M CB 1.637 34.233 32.600 -0.008 0.000 1.648 307 M HN 0.241 nan 8.290 nan 0.000 0.452 308 E N 1.808 122.004 120.200 -0.006 0.000 2.227 308 E HA 0.327 4.677 4.350 -0.000 0.000 0.268 308 E C 0.191 176.787 176.600 -0.007 0.000 0.907 308 E CA -0.535 55.862 56.400 -0.005 0.000 0.786 308 E CB 2.289 31.986 29.700 -0.005 0.000 1.191 308 E HN 0.664 nan 8.360 nan 0.000 0.411 309 L N 1.525 122.744 121.223 -0.005 0.000 2.201 309 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 309 L C 1.614 178.477 176.870 -0.011 0.000 1.105 309 L CA 1.020 55.856 54.840 -0.007 0.000 0.775 309 L CB -0.217 41.841 42.059 -0.001 0.000 0.913 309 L HN 0.530 nan 8.230 nan 0.000 0.440 310 E N 0.647 120.842 120.200 -0.009 0.000 2.106 310 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 310 E C 0.962 177.553 176.600 -0.015 0.000 0.984 310 E CA 1.037 57.431 56.400 -0.010 0.000 0.806 310 E CB -0.046 29.650 29.700 -0.007 0.000 0.750 310 E HN 0.299 nan 8.360 nan 0.000 0.458 311 K N 0.556 120.947 120.400 -0.015 0.000 3.165 311 K HA 0.423 4.743 4.320 -0.000 0.000 0.259 311 K C -0.771 175.816 176.600 -0.022 0.000 1.282 311 K CA -0.197 56.079 56.287 -0.017 0.000 1.259 311 K CB 0.692 33.184 32.500 -0.013 0.000 1.546 311 K HN -0.023 nan 8.250 nan 0.000 0.384 312 A N 1.170 123.973 122.820 -0.028 0.000 2.335 312 A HA 0.415 4.735 4.320 -0.000 0.000 0.304 312 A C 0.043 177.593 177.584 -0.055 0.000 1.118 312 A CA -0.688 51.327 52.037 -0.037 0.000 0.757 312 A CB 0.826 19.806 19.000 -0.033 0.000 1.188 312 A HN 0.290 nan 8.150 nan 0.000 0.460 313 T N -0.085 114.430 114.554 -0.064 0.000 2.936 313 T HA 0.524 4.874 4.350 -0.000 0.000 0.282 313 T C 1.060 175.677 174.700 -0.139 0.000 1.003 313 T CA -0.758 61.288 62.100 -0.090 0.000 1.005 313 T CB 0.549 69.375 68.868 -0.069 0.000 1.097 313 T HN 0.386 nan 8.240 nan 0.000 0.532 314 L N -0.004 121.096 121.223 -0.205 0.000 2.551 314 L HA -0.039 4.301 4.340 -0.000 0.000 0.230 314 L C 2.678 179.419 176.870 -0.215 0.000 1.163 314 L CA 1.301 55.926 54.840 -0.359 0.000 0.826 314 L CB -0.579 41.203 42.059 -0.461 0.000 0.943 314 L HN 0.859 nan 8.230 nan 0.000 0.452 315 E N 0.072 120.207 120.200 -0.109 0.000 2.230 315 E HA -0.157 4.192 4.350 -0.000 0.000 0.192 315 E C 1.328 177.911 176.600 -0.028 0.000 0.987 315 E CA 0.580 56.953 56.400 -0.045 0.000 0.841 315 E CB 0.301 29.983 29.700 -0.030 0.000 0.783 315 E HN 0.468 nan 8.360 nan 0.000 0.481 316 D N 0.294 120.667 120.400 -0.044 0.000 2.194 316 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 316 D C 0.320 176.614 176.300 -0.010 0.000 0.964 316 D CA 0.308 54.293 54.000 -0.025 0.000 0.846 316 D CB 0.123 40.904 40.800 -0.031 0.000 0.962 316 D HN 0.129 nan 8.370 nan 0.000 0.490 317 L N 1.138 122.345 121.223 -0.026 0.000 2.485 317 L HA 0.198 4.538 4.340 -0.000 0.000 0.275 317 L C 1.475 178.408 176.870 0.106 0.000 1.207 317 L CA 0.331 55.188 54.840 0.028 0.000 0.855 317 L CB 0.406 42.454 42.059 -0.018 0.000 1.114 317 L HN -0.143 nan 8.230 nan 0.000 0.485 318 G N 1.472 110.341 108.800 0.116 0.000 2.543 318 G HA2 0.541 4.500 3.960 -0.000 0.000 0.290 318 G HA3 0.541 4.500 3.960 -0.000 0.000 0.290 318 G C -0.985 174.011 174.900 0.160 0.000 1.310 318 G CA -0.224 44.942 45.100 0.109 0.000 1.025 318 G HN 0.585 nan 8.290 nan 0.000 0.502 319 Q N -2.168 117.687 119.800 0.091 0.000 2.527 319 Q HA 0.548 4.887 4.340 -0.000 0.000 0.280 319 Q C -1.516 174.483 176.000 -0.001 0.000 0.977 319 Q CA -0.727 55.097 55.803 0.034 0.000 0.837 319 Q CB 2.043 30.792 28.738 0.018 0.000 1.454 319 Q HN 1.092 nan 8.270 nan 0.000 0.387 320 A N 1.806 124.605 122.820 -0.036 0.000 2.606 320 A HA 0.436 4.756 4.320 -0.000 0.000 0.293 320 A C -0.630 176.924 177.584 -0.050 0.000 1.082 320 A CA -0.603 51.418 52.037 -0.026 0.000 0.685 320 A CB 1.601 20.600 19.000 -0.001 0.000 1.284 320 A HN 0.796 nan 8.150 nan 0.000 0.408 321 K N -0.426 119.952 120.400 -0.037 0.000 2.211 321 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 321 K C 0.724 177.301 176.600 -0.038 0.000 1.050 321 K CA 1.405 57.667 56.287 -0.042 0.000 0.945 321 K CB 0.123 32.606 32.500 -0.028 0.000 0.732 321 K HN 0.548 nan 8.250 nan 0.000 0.451 322 R N -0.126 120.359 120.500 -0.026 0.000 2.644 322 R HA 0.172 4.512 4.340 -0.000 0.000 0.257 322 R C -2.059 174.235 176.300 -0.010 0.000 1.082 322 R CA -0.570 55.518 56.100 -0.019 0.000 0.927 322 R CB 1.692 31.983 30.300 -0.015 0.000 1.258 322 R HN -0.057 nan 8.270 nan 0.000 0.459 323 V N 0.545 120.454 119.914 -0.009 0.000 2.760 323 V HA 0.825 4.944 4.120 -0.000 0.000 0.309 323 V C -1.203 174.885 176.094 -0.010 0.000 1.077 323 V CA -0.698 61.598 62.300 -0.006 0.000 0.910 323 V CB 2.005 33.830 31.823 0.003 0.000 1.008 323 V HN 0.429 nan 8.190 nan 0.000 0.424 324 V N 5.831 125.732 119.914 -0.021 0.000 2.656 324 V HA 0.660 4.780 4.120 -0.000 0.000 0.307 324 V C -0.236 175.833 176.094 -0.041 0.000 1.051 324 V CA -0.434 61.857 62.300 -0.016 0.000 0.893 324 V CB 1.757 33.574 31.823 -0.011 0.000 0.999 324 V HN 1.051 nan 8.190 nan 0.000 0.426 325 I N 1.084 121.652 120.570 -0.005 0.000 2.499 325 I HA 0.677 4.847 4.170 -0.000 0.000 0.288 325 I C -0.425 175.723 176.117 0.053 0.000 1.048 325 I CA -0.559 60.726 61.300 -0.025 0.000 1.062 325 I CB 2.028 40.021 38.000 -0.011 0.000 1.238 325 I HN 0.421 nan 8.210 nan 0.000 0.426 326 N N 4.704 123.366 118.700 -0.063 0.000 2.531 326 N HA 0.207 4.946 4.740 -0.000 0.000 0.301 326 N C 0.689 175.945 175.510 -0.423 0.000 1.310 326 N CA -0.621 52.393 53.050 -0.059 0.000 0.949 326 N CB 0.666 39.110 38.487 -0.073 0.000 1.111 326 N HN 0.688 nan 8.380 nan 0.000 0.565 327 K N 0.138 120.306 120.400 -0.386 0.000 2.211 327 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 327 K C -0.598 175.675 176.600 -0.544 0.000 1.050 327 K CA 1.602 57.486 56.287 -0.672 0.000 0.945 327 K CB -0.006 32.389 32.500 -0.175 0.000 0.732 327 K HN 0.601 nan 8.250 nan 0.000 0.451 328 D N -1.138 119.062 120.400 -0.333 0.000 3.118 328 D HA 0.118 4.758 4.640 -0.000 0.000 0.352 328 D C -1.102 175.083 176.300 -0.191 0.000 1.498 328 D CA -0.499 53.363 54.000 -0.229 0.000 0.759 328 D CB 0.716 41.432 40.800 -0.139 0.000 1.251 328 D HN -0.158 nan 8.370 nan 0.000 0.504 329 T N -0.218 114.193 114.554 -0.238 0.000 3.435 329 T HA 0.485 4.835 4.350 -0.000 0.000 0.344 329 T C -1.170 173.333 174.700 -0.328 0.000 1.211 329 T CA -0.446 61.502 62.100 -0.253 0.000 1.104 329 T CB 1.988 70.755 68.868 -0.169 0.000 1.196 329 T HN -0.050 nan 8.240 nan 0.000 0.471 330 T N 2.412 116.624 114.554 -0.570 0.000 2.792 330 T HA 0.657 5.007 4.350 -0.000 0.000 0.280 330 T C -0.425 173.953 174.700 -0.537 0.000 0.990 330 T CA -0.488 61.232 62.100 -0.634 0.000 0.960 330 T CB 1.596 69.841 68.868 -1.038 0.000 0.939 330 T HN 0.567 nan 8.240 nan 0.000 0.439 331 T N 3.972 118.381 114.554 -0.241 0.000 2.847 331 T HA 0.600 4.949 4.350 -0.000 0.000 0.291 331 T C -0.578 174.105 174.700 -0.028 0.000 0.998 331 T CA -0.646 61.389 62.100 -0.108 0.000 0.967 331 T CB 0.081 68.904 68.868 -0.074 0.000 0.954 331 T HN 0.475 nan 8.240 nan 0.000 0.441 332 I N 6.653 127.245 120.570 0.037 0.000 2.297 332 I HA 0.406 4.575 4.170 -0.000 0.000 0.291 332 I C -0.083 176.054 176.117 0.032 0.000 1.033 332 I CA -0.672 60.659 61.300 0.053 0.000 1.253 332 I CB 1.088 39.150 38.000 0.103 0.000 1.396 332 I HN 0.535 nan 8.210 nan 0.000 0.476 333 I N 5.854 126.433 120.570 0.014 0.000 2.321 333 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 333 I C -0.271 175.849 176.117 0.004 0.000 0.998 333 I CA -0.370 60.935 61.300 0.007 0.000 1.227 333 I CB 0.919 38.919 38.000 -0.000 0.000 1.368 333 I HN 0.615 nan 8.210 nan 0.000 0.466 334 D N 4.870 125.274 120.400 0.006 0.000 3.908 334 D HA -0.110 4.530 4.640 -0.000 0.000 0.237 334 D C 0.051 176.353 176.300 0.002 0.000 1.091 334 D CA 0.940 54.941 54.000 0.002 0.000 1.147 334 D CB -0.111 40.687 40.800 -0.004 0.000 0.857 334 D HN 0.820 nan 8.370 nan 0.000 0.410 335 G N 1.208 110.013 108.800 0.008 0.000 2.448 335 G HA2 0.442 4.402 3.960 -0.000 0.000 0.285 335 G HA3 0.442 4.402 3.960 -0.000 0.000 0.285 335 G C 1.340 176.245 174.900 0.007 0.000 1.176 335 G CA -0.381 44.725 45.100 0.010 0.000 0.852 335 G HN 0.399 nan 8.290 nan 0.000 0.530 336 V N 1.826 121.745 119.914 0.010 0.000 2.626 336 V HA -0.003 4.117 4.120 -0.000 0.000 0.252 336 V C 2.273 178.375 176.094 0.013 0.000 1.067 336 V CA 1.180 63.487 62.300 0.011 0.000 1.081 336 V CB -1.274 30.561 31.823 0.020 0.000 0.686 336 V HN 0.883 nan 8.190 nan 0.000 0.468 337 G N 1.036 109.845 108.800 0.015 0.000 2.341 337 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.231 337 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.231 337 G C -0.112 174.793 174.900 0.008 0.000 1.206 337 G CA -0.073 45.034 45.100 0.011 0.000 0.865 337 G HN 0.579 nan 8.290 nan 0.000 0.515 338 E N 1.682 121.886 120.200 0.007 0.000 2.283 338 E HA 0.087 4.436 4.350 -0.000 0.000 0.278 338 E C 0.915 177.517 176.600 0.003 0.000 1.027 338 E CA -0.313 56.090 56.400 0.005 0.000 0.843 338 E CB 1.505 31.207 29.700 0.005 0.000 1.062 338 E HN 0.688 nan 8.360 nan 0.000 0.401 339 E N 1.879 122.080 120.200 0.002 0.000 2.284 339 E HA -0.302 4.048 4.350 -0.000 0.000 0.200 339 E C 1.701 178.300 176.600 -0.000 0.000 1.008 339 E CA 1.150 57.550 56.400 0.001 0.000 0.829 339 E CB -0.091 29.610 29.700 0.001 0.000 0.744 339 E HN 0.593 nan 8.360 nan 0.000 0.491 340 A N 1.693 124.513 122.820 -0.000 0.000 1.845 340 A HA -0.101 4.218 4.320 -0.000 0.000 0.215 340 A C 2.451 180.034 177.584 -0.002 0.000 1.195 340 A CA 1.733 53.770 52.037 -0.001 0.000 0.616 340 A CB -0.791 18.209 19.000 -0.000 0.000 0.832 340 A HN 0.306 nan 8.150 nan 0.000 0.443 341 A N -0.102 122.717 122.820 -0.002 0.000 1.877 341 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 341 A C 2.163 179.744 177.584 -0.005 0.000 1.186 341 A CA 1.602 53.637 52.037 -0.003 0.000 0.620 341 A CB -0.723 18.276 19.000 -0.002 0.000 0.822 341 A HN 0.508 nan 8.150 nan 0.000 0.443 342 I N -0.913 119.655 120.570 -0.003 0.000 2.076 342 I HA -0.313 3.857 4.170 -0.000 0.000 0.237 342 I C 2.789 178.903 176.117 -0.006 0.000 1.059 342 I CA 2.009 63.307 61.300 -0.004 0.000 1.317 342 I CB -0.464 37.535 38.000 -0.002 0.000 1.037 342 I HN 0.385 nan 8.210 nan 0.000 0.398 343 Q N 1.349 121.147 119.800 -0.004 0.000 2.234 343 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 343 Q C 1.966 177.962 176.000 -0.007 0.000 0.980 343 Q CA 2.022 57.822 55.803 -0.005 0.000 0.869 343 Q CB -0.680 28.056 28.738 -0.004 0.000 0.912 343 Q HN 0.526 nan 8.270 nan 0.000 0.436 344 G N -0.187 108.609 108.800 -0.007 0.000 2.394 344 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 344 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 344 G C 1.541 176.435 174.900 -0.010 0.000 1.165 344 G CA 0.695 45.790 45.100 -0.008 0.000 0.784 344 G HN 0.362 nan 8.290 nan 0.000 0.535 345 R N 0.398 120.892 120.500 -0.011 0.000 2.105 345 R HA -0.045 4.295 4.340 -0.000 0.000 0.239 345 R C 2.513 178.803 176.300 -0.016 0.000 1.135 345 R CA 1.574 57.665 56.100 -0.015 0.000 0.967 345 R CB -0.878 29.413 30.300 -0.016 0.000 0.861 345 R HN 0.227 nan 8.270 nan 0.000 0.442 346 V N 0.678 120.584 119.914 -0.013 0.000 2.343 346 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 346 V C 2.383 178.469 176.094 -0.014 0.000 1.051 346 V CA 1.934 64.225 62.300 -0.013 0.000 1.036 346 V CB -1.030 30.787 31.823 -0.010 0.000 0.654 346 V HN 0.553 nan 8.190 nan 0.000 0.451 347 A N -0.656 122.157 122.820 -0.012 0.000 1.908 347 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 347 A C 2.178 179.754 177.584 -0.013 0.000 1.181 347 A CA 2.074 54.104 52.037 -0.011 0.000 0.627 347 A CB -0.495 18.500 19.000 -0.009 0.000 0.818 347 A HN 0.646 nan 8.150 nan 0.000 0.445 348 Q N -0.381 119.410 119.800 -0.014 0.000 1.975 348 Q HA -0.170 4.170 4.340 -0.000 0.000 0.205 348 Q C 2.061 178.050 176.000 -0.019 0.000 0.990 348 Q CA 1.838 57.632 55.803 -0.016 0.000 0.845 348 Q CB -0.450 28.278 28.738 -0.018 0.000 0.913 348 Q HN 0.739 nan 8.270 nan 0.000 0.420 349 I N 0.347 120.904 120.570 -0.022 0.000 2.423 349 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 349 I C 2.514 178.617 176.117 -0.024 0.000 1.151 349 I CA 0.955 62.239 61.300 -0.027 0.000 1.421 349 I CB -0.289 37.693 38.000 -0.030 0.000 1.079 349 I HN 0.155 nan 8.210 nan 0.000 0.431 350 R N 0.813 121.302 120.500 -0.019 0.000 2.115 350 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 350 R C 2.258 178.548 176.300 -0.016 0.000 1.111 350 R CA 1.213 57.303 56.100 -0.017 0.000 0.976 350 R CB 0.018 30.310 30.300 -0.013 0.000 0.870 350 R HN 0.419 nan 8.270 nan 0.000 0.445 351 Q N -0.682 119.109 119.800 -0.015 0.000 2.212 351 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 351 Q C 1.948 177.939 176.000 -0.016 0.000 0.950 351 Q CA 0.698 56.493 55.803 -0.014 0.000 0.863 351 Q CB 0.257 28.988 28.738 -0.012 0.000 0.944 351 Q HN 0.384 nan 8.270 nan 0.000 0.465 352 Q N 0.603 120.391 119.800 -0.020 0.000 2.112 352 Q HA -0.189 4.150 4.340 -0.000 0.000 0.206 352 Q C 2.088 178.075 176.000 -0.023 0.000 0.987 352 Q CA 1.266 57.055 55.803 -0.023 0.000 0.858 352 Q CB -0.304 28.416 28.738 -0.030 0.000 0.905 352 Q HN 0.491 nan 8.270 nan 0.000 0.420 353 I N 1.065 121.621 120.570 -0.023 0.000 2.361 353 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 353 I C 2.155 178.263 176.117 -0.015 0.000 1.133 353 I CA 0.847 62.134 61.300 -0.022 0.000 1.413 353 I CB -0.277 37.710 38.000 -0.022 0.000 1.073 353 I HN 0.135 nan 8.210 nan 0.000 0.424 354 E N 1.285 121.478 120.200 -0.013 0.000 2.047 354 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 354 E C 1.757 178.352 176.600 -0.008 0.000 0.987 354 E CA 1.200 57.595 56.400 -0.009 0.000 0.799 354 E CB -0.336 29.359 29.700 -0.008 0.000 0.752 354 E HN 0.603 nan 8.360 nan 0.000 0.449 355 E N 1.047 121.241 120.200 -0.009 0.000 2.511 355 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 355 E C 0.285 176.881 176.600 -0.006 0.000 1.066 355 E CA -0.025 56.371 56.400 -0.007 0.000 0.871 355 E CB 0.118 29.813 29.700 -0.009 0.000 0.863 355 E HN 0.072 nan 8.360 nan 0.000 0.520 356 A N 1.712 124.528 122.820 -0.008 0.000 2.522 356 A HA 0.060 4.380 4.320 -0.000 0.000 0.256 356 A C 1.237 178.822 177.584 0.002 0.000 1.086 356 A CA 0.224 52.258 52.037 -0.005 0.000 0.763 356 A CB -0.054 18.939 19.000 -0.010 0.000 1.024 356 A HN 0.232 nan 8.150 nan 0.000 0.502 357 T N -0.659 113.900 114.554 0.008 0.000 3.069 357 T HA 0.368 4.718 4.350 -0.000 0.000 0.252 357 T C 0.475 175.188 174.700 0.022 0.000 1.053 357 T CA 0.451 62.558 62.100 0.012 0.000 0.964 357 T CB -0.106 68.768 68.868 0.011 0.000 1.005 357 T HN 0.787 nan 8.240 nan 0.000 0.532 358 S N -0.179 115.539 115.700 0.030 0.000 2.548 358 S HA 0.361 4.831 4.470 -0.000 0.000 0.276 358 S C 0.043 174.677 174.600 0.057 0.000 1.129 358 S CA -0.641 57.590 58.200 0.052 0.000 0.931 358 S CB 1.586 64.834 63.200 0.079 0.000 1.068 358 S HN 0.100 nan 8.310 nan 0.000 0.480 359 D N 2.257 122.698 120.400 0.068 0.000 2.123 359 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 359 D C 1.329 177.682 176.300 0.088 0.000 0.992 359 D CA 1.518 55.556 54.000 0.064 0.000 0.833 359 D CB -0.244 40.596 40.800 0.066 0.000 0.954 359 D HN 0.720 nan 8.370 nan 0.000 0.455 360 Y N 2.182 122.483 120.300 0.002 0.000 2.081 360 Y HA -0.244 4.306 4.550 -0.000 0.000 0.280 360 Y C 1.622 177.520 175.900 -0.004 0.000 1.163 360 Y CA 1.981 60.083 58.100 0.003 0.000 1.135 360 Y CB -0.448 38.016 38.460 0.005 0.000 0.970 360 Y HN -0.110 nan 8.280 nan 0.000 0.498 361 D N -0.759 119.625 120.400 -0.027 0.000 2.178 361 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 361 D C 2.251 178.479 176.300 -0.120 0.000 0.980 361 D CA 1.329 55.259 54.000 -0.116 0.000 0.842 361 D CB -0.239 40.552 40.800 -0.014 0.000 0.948 361 D HN 0.292 nan 8.370 nan 0.000 0.472 362 R N 0.585 121.045 120.500 -0.066 0.000 2.066 362 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 362 R C 1.750 178.005 176.300 -0.076 0.000 1.131 362 R CA 1.059 57.128 56.100 -0.052 0.000 0.955 362 R CB 0.130 30.419 30.300 -0.018 0.000 0.851 362 R HN 0.083 nan 8.270 nan 0.000 0.432 363 E N 0.881 121.026 120.200 -0.092 0.000 2.031 363 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 363 E C 1.883 178.398 176.600 -0.141 0.000 0.994 363 E CA 1.072 57.415 56.400 -0.095 0.000 0.800 363 E CB -0.153 29.500 29.700 -0.078 0.000 0.752 363 E HN 0.211 nan 8.360 nan 0.000 0.447 364 K N 0.785 121.033 120.400 -0.252 0.000 2.103 364 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 364 K C 2.415 178.927 176.600 -0.146 0.000 1.048 364 K CA 0.645 56.786 56.287 -0.243 0.000 0.930 364 K CB -0.521 31.748 32.500 -0.384 0.000 0.716 364 K HN 0.201 nan 8.250 nan 0.000 0.444 365 L N 0.911 122.059 121.223 -0.125 0.000 2.072 365 L HA -0.174 4.166 4.340 -0.000 0.000 0.205 365 L C 2.548 179.381 176.870 -0.061 0.000 1.079 365 L CA 1.145 55.935 54.840 -0.084 0.000 0.752 365 L CB -0.416 41.601 42.059 -0.069 0.000 0.906 365 L HN 0.220 nan 8.230 nan 0.000 0.436 366 Q N -0.112 119.654 119.800 -0.057 0.000 2.170 366 Q HA -0.230 4.110 4.340 -0.000 0.000 0.203 366 Q C 2.012 177.991 176.000 -0.035 0.000 0.976 366 Q CA 1.356 57.136 55.803 -0.039 0.000 0.858 366 Q CB -0.111 28.607 28.738 -0.033 0.000 0.907 366 Q HN 0.554 nan 8.270 nan 0.000 0.433 367 E N 0.581 120.754 120.200 -0.044 0.000 2.077 367 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 367 E C 2.092 178.677 176.600 -0.025 0.000 0.989 367 E CA 0.726 57.107 56.400 -0.031 0.000 0.800 367 E CB 0.025 29.702 29.700 -0.039 0.000 0.746 367 E HN 0.271 nan 8.360 nan 0.000 0.452 368 R N 0.463 120.941 120.500 -0.037 0.000 2.066 368 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 368 R C 2.748 179.034 176.300 -0.023 0.000 1.131 368 R CA 1.610 57.690 56.100 -0.033 0.000 0.955 368 R CB -0.723 29.549 30.300 -0.046 0.000 0.851 368 R HN 0.207 nan 8.270 nan 0.000 0.432 369 V N -1.053 118.846 119.914 -0.025 0.000 2.332 369 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 369 V C 2.366 178.453 176.094 -0.012 0.000 1.055 369 V CA 1.871 64.159 62.300 -0.019 0.000 1.038 369 V CB -1.147 30.664 31.823 -0.019 0.000 0.651 369 V HN 0.267 nan 8.190 nan 0.000 0.450 370 A N 0.372 123.186 122.820 -0.011 0.000 1.902 370 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 370 A C 2.373 179.958 177.584 0.001 0.000 1.181 370 A CA 2.279 54.312 52.037 -0.005 0.000 0.623 370 A CB -0.618 18.379 19.000 -0.005 0.000 0.818 370 A HN 0.619 nan 8.150 nan 0.000 0.443 371 K N -1.266 119.136 120.400 0.004 0.000 2.057 371 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 371 K C 1.861 178.469 176.600 0.014 0.000 1.050 371 K CA 1.294 57.590 56.287 0.016 0.000 0.935 371 K CB -0.244 32.271 32.500 0.025 0.000 0.715 371 K HN 0.363 nan 8.250 nan 0.000 0.439 372 L N 0.112 121.337 121.223 0.003 0.000 2.179 372 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 372 L C 1.825 178.696 176.870 0.001 0.000 1.096 372 L CA 1.371 56.211 54.840 0.001 0.000 0.779 372 L CB -0.151 41.903 42.059 -0.009 0.000 0.922 372 L HN 0.060 nan 8.230 nan 0.000 0.443 373 A N -1.653 121.167 122.820 -0.001 0.000 2.220 373 A HA 0.314 4.633 4.320 -0.000 0.000 0.211 373 A C 2.133 179.718 177.584 0.001 0.000 1.176 373 A CA 0.567 52.603 52.037 -0.001 0.000 0.834 373 A CB -0.722 18.276 19.000 -0.004 0.000 0.868 373 A HN 0.411 nan 8.150 nan 0.000 0.488 374 G N -0.378 108.424 108.800 0.003 0.000 2.403 374 G HA2 0.367 4.327 3.960 -0.000 0.000 0.216 374 G HA3 0.367 4.327 3.960 -0.000 0.000 0.216 374 G C 1.161 176.064 174.900 0.005 0.000 1.154 374 G CA 0.723 45.825 45.100 0.003 0.000 0.784 374 G HN 1.615 nan 8.290 nan 0.000 0.538 375 G N -1.597 107.208 108.800 0.008 0.000 2.584 375 G HA2 0.018 3.978 3.960 -0.000 0.000 0.229 375 G HA3 0.018 3.978 3.960 -0.000 0.000 0.229 375 G C -0.680 174.225 174.900 0.009 0.000 1.320 375 G CA -0.184 44.921 45.100 0.008 0.000 0.891 375 G HN 1.125 nan 8.290 nan 0.000 0.573 376 V N 0.415 120.333 119.914 0.006 0.000 2.577 376 V HA 0.665 4.784 4.120 -0.000 0.000 0.294 376 V C 0.616 176.711 176.094 0.001 0.000 1.052 376 V CA -0.043 62.260 62.300 0.004 0.000 0.891 376 V CB 1.087 32.913 31.823 0.006 0.000 1.017 376 V HN 2.197 nan 8.190 nan 0.000 0.436 377 A N 4.794 127.614 122.820 -0.000 0.000 2.450 377 A HA 0.675 4.995 4.320 -0.000 0.000 0.255 377 A C -0.287 177.296 177.584 -0.001 0.000 1.096 377 A CA -0.078 51.959 52.037 -0.001 0.000 0.778 377 A CB 0.537 19.536 19.000 -0.002 0.000 1.031 377 A HN 0.801 nan 8.150 nan 0.000 0.494 378 V N 4.668 124.582 119.914 -0.001 0.000 2.409 378 V HA 0.332 4.452 4.120 -0.000 0.000 0.291 378 V C -0.157 175.937 176.094 -0.000 0.000 1.020 378 V CA -0.191 62.108 62.300 -0.001 0.000 0.848 378 V CB 1.360 33.182 31.823 -0.001 0.000 0.990 378 V HN 0.737 nan 8.190 nan 0.000 0.430 379 I N 5.075 125.645 120.570 0.001 0.000 2.312 379 I HA 0.407 4.577 4.170 -0.000 0.000 0.290 379 I C 0.062 176.180 176.117 0.001 0.000 1.008 379 I CA -0.486 60.814 61.300 0.001 0.000 1.226 379 I CB 1.254 39.256 38.000 0.002 0.000 1.371 379 I HN 0.496 nan 8.210 nan 0.000 0.468 380 K N 6.022 126.423 120.400 0.001 0.000 2.281 380 K HA 0.432 4.751 4.320 -0.000 0.000 0.272 380 K C -0.668 175.932 176.600 0.001 0.000 1.048 380 K CA -0.655 55.632 56.287 0.000 0.000 0.898 380 K CB 1.857 34.357 32.500 -0.001 0.000 1.128 380 K HN 0.317 nan 8.250 nan 0.000 0.460 381 V N 2.875 122.789 119.914 0.001 0.000 2.740 381 V HA 0.013 4.133 4.120 -0.000 0.000 0.303 381 V C 1.470 177.565 176.094 0.000 0.000 1.054 381 V CA -0.082 62.218 62.300 0.001 0.000 1.106 381 V CB 0.738 32.562 31.823 0.002 0.000 0.957 381 V HN 0.961 nan 8.190 nan 0.000 0.486 382 G N 2.456 111.256 108.800 0.000 0.000 2.413 382 G HA2 0.420 4.380 3.960 -0.000 0.000 0.300 382 G HA3 0.420 4.380 3.960 -0.000 0.000 0.300 382 G C 0.334 175.234 174.900 -0.000 0.000 1.370 382 G CA 0.536 45.636 45.100 -0.000 0.000 1.110 382 G HN 1.254 nan 8.290 nan 0.000 0.596 383 A N -2.830 119.990 122.820 -0.001 0.000 2.588 383 A HA 0.830 5.150 4.320 -0.000 0.000 0.172 383 A C 0.659 178.243 177.584 -0.001 0.000 1.149 383 A CA 1.058 53.094 52.037 -0.001 0.000 1.987 383 A CB -0.500 18.499 19.000 -0.001 0.000 2.500 383 A HN 2.604 nan 8.150 nan 0.000 0.982 384 A N -0.405 122.414 122.820 -0.001 0.000 2.611 384 A HA 0.521 4.841 4.320 -0.000 0.000 0.281 384 A C 1.036 178.619 177.584 -0.001 0.000 1.396 384 A CA 1.326 53.362 52.037 -0.001 0.000 0.724 384 A CB -2.625 16.374 19.000 -0.001 0.000 1.126 384 A HN 3.461 nan 8.150 nan 0.000 0.384 385 T N -2.466 112.088 114.554 -0.001 0.000 0.545 385 T HA -0.067 4.283 4.350 -0.000 0.000 0.773 385 T C 0.290 174.989 174.700 -0.001 0.000 0.992 385 T CA 1.373 63.472 62.100 -0.001 0.000 4.074 385 T CB -1.156 67.711 68.868 -0.001 0.000 2.301 385 T HN 1.927 nan 8.240 nan 0.000 0.398 386 E N 1.317 121.516 120.200 -0.001 0.000 2.130 386 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 386 E C 2.008 178.607 176.600 -0.001 0.000 0.998 386 E CA 2.187 58.587 56.400 -0.001 0.000 0.806 386 E CB -0.130 29.570 29.700 -0.001 0.000 0.738 386 E HN 0.665 nan 8.360 nan 0.000 0.459 387 V N 1.303 121.217 119.914 -0.001 0.000 2.237 387 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 387 V C 2.162 178.255 176.094 -0.002 0.000 1.046 387 V CA 2.306 64.605 62.300 -0.002 0.000 1.007 387 V CB -0.674 31.148 31.823 -0.002 0.000 0.638 387 V HN 0.297 nan 8.190 nan 0.000 0.445 388 E N -0.324 119.875 120.200 -0.002 0.000 2.118 388 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 388 E C 2.178 178.777 176.600 -0.001 0.000 0.992 388 E CA 1.417 57.816 56.400 -0.002 0.000 0.804 388 E CB -0.256 29.443 29.700 -0.002 0.000 0.741 388 E HN 0.443 nan 8.360 nan 0.000 0.458 389 M N 1.162 120.761 119.600 -0.001 0.000 2.086 389 M HA -0.157 4.322 4.480 -0.000 0.000 0.261 389 M C 1.653 177.953 176.300 -0.000 0.000 1.067 389 M CA 1.544 56.844 55.300 -0.001 0.000 1.116 389 M CB -0.147 32.453 32.600 -0.001 0.000 1.348 389 M HN -0.127 nan 8.290 nan 0.000 0.407 390 K N 0.324 120.724 120.400 -0.001 0.000 2.209 390 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 390 K C 1.856 178.456 176.600 -0.001 0.000 1.048 390 K CA 1.204 57.491 56.287 -0.000 0.000 0.940 390 K CB -0.470 32.029 32.500 -0.001 0.000 0.729 390 K HN 0.600 nan 8.250 nan 0.000 0.451 391 E N 1.352 121.551 120.200 -0.001 0.000 2.016 391 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 391 E C 2.059 178.658 176.600 -0.001 0.000 0.985 391 E CA 0.889 57.288 56.400 -0.002 0.000 0.802 391 E CB 0.081 29.779 29.700 -0.003 0.000 0.762 391 E HN 0.129 nan 8.360 nan 0.000 0.448 392 K N 1.071 121.471 120.400 -0.001 0.000 2.103 392 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 392 K C 2.252 178.853 176.600 0.002 0.000 1.048 392 K CA 1.617 57.904 56.287 0.000 0.000 0.930 392 K CB -0.081 32.419 32.500 0.000 0.000 0.716 392 K HN -0.043 nan 8.250 nan 0.000 0.444 393 K N 0.034 120.435 120.400 0.002 0.000 2.103 393 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 393 K C 1.914 178.516 176.600 0.004 0.000 1.048 393 K CA 1.272 57.561 56.287 0.003 0.000 0.930 393 K CB -0.162 32.340 32.500 0.003 0.000 0.716 393 K HN 0.236 nan 8.250 nan 0.000 0.444 394 A N 1.386 124.207 122.820 0.002 0.000 1.898 394 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 394 A C 2.082 179.667 177.584 0.002 0.000 1.181 394 A CA 1.299 53.337 52.037 0.001 0.000 0.620 394 A CB -0.426 18.572 19.000 -0.003 0.000 0.819 394 A HN 0.310 nan 8.150 nan 0.000 0.442 395 R N -0.646 119.855 120.500 0.001 0.000 2.073 395 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 395 R C 2.036 178.341 176.300 0.009 0.000 1.134 395 R CA 1.517 57.618 56.100 0.002 0.000 0.952 395 R CB -0.618 29.682 30.300 0.001 0.000 0.850 395 R HN 0.392 nan 8.270 nan 0.000 0.433 396 V N 1.351 121.271 119.914 0.009 0.000 2.407 396 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 396 V C 2.022 178.129 176.094 0.022 0.000 1.055 396 V CA 1.801 64.109 62.300 0.013 0.000 1.049 396 V CB -0.455 31.374 31.823 0.010 0.000 0.662 396 V HN 0.362 nan 8.190 nan 0.000 0.455 397 E N -0.155 120.059 120.200 0.022 0.000 2.051 397 E HA -0.219 4.130 4.350 -0.000 0.000 0.192 397 E C 2.036 178.670 176.600 0.056 0.000 0.991 397 E CA 1.514 57.936 56.400 0.035 0.000 0.799 397 E CB -0.163 29.552 29.700 0.026 0.000 0.748 397 E HN 0.619 nan 8.360 nan 0.000 0.449 398 D N 0.344 120.764 120.400 0.033 0.000 2.097 398 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 398 D C 1.962 178.298 176.300 0.060 0.000 0.984 398 D CA 1.231 55.249 54.000 0.031 0.000 0.826 398 D CB -0.261 40.536 40.800 -0.006 0.000 0.973 398 D HN 0.131 nan 8.370 nan 0.000 0.460 399 A N 1.113 123.957 122.820 0.039 0.000 1.908 399 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 399 A C 2.190 179.803 177.584 0.049 0.000 1.181 399 A CA 1.185 53.245 52.037 0.037 0.000 0.627 399 A CB -0.735 18.277 19.000 0.022 0.000 0.818 399 A HN 0.236 nan 8.150 nan 0.000 0.445 400 L N -0.874 120.380 121.223 0.052 0.000 2.017 400 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 400 L C 2.412 179.315 176.870 0.056 0.000 1.073 400 L CA 2.704 57.569 54.840 0.041 0.000 0.745 400 L CB -0.887 41.192 42.059 0.033 0.000 0.894 400 L HN 0.618 nan 8.230 nan 0.000 0.432 401 H N -0.152 118.917 119.070 -0.002 0.000 2.319 401 H HA -0.160 4.396 4.556 -0.000 0.000 0.297 401 H C 1.918 177.246 175.328 -0.000 0.000 1.097 401 H CA 1.890 57.937 56.048 -0.002 0.000 1.285 401 H CB 0.036 29.796 29.762 -0.003 0.000 1.368 401 H HN 0.485 nan 8.280 nan 0.000 0.495 402 A N -0.147 122.801 122.820 0.213 0.000 1.873 402 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 402 A C 2.700 180.319 177.584 0.059 0.000 1.186 402 A CA 2.062 54.183 52.037 0.140 0.000 0.616 402 A CB -1.007 18.047 19.000 0.089 0.000 0.823 402 A HN 0.529 nan 8.150 nan 0.000 0.442 403 T N -0.449 114.127 114.554 0.037 0.000 2.788 403 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 403 T C 2.137 176.834 174.700 -0.006 0.000 1.044 403 T CA 1.343 63.451 62.100 0.014 0.000 1.139 403 T CB -0.256 68.618 68.868 0.011 0.000 0.867 403 T HN 0.309 nan 8.240 nan 0.000 0.454 404 R N 1.513 121.995 120.500 -0.030 0.000 2.073 404 R HA 0.059 4.399 4.340 -0.000 0.000 0.234 404 R C 2.581 178.847 176.300 -0.057 0.000 1.134 404 R CA 1.847 57.910 56.100 -0.062 0.000 0.952 404 R CB -1.099 29.126 30.300 -0.125 0.000 0.850 404 R HN 0.428 nan 8.270 nan 0.000 0.433 405 A N 0.455 123.242 122.820 -0.055 0.000 1.902 405 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 405 A C 2.383 179.967 177.584 -0.001 0.000 1.181 405 A CA 1.994 54.018 52.037 -0.023 0.000 0.623 405 A CB -0.789 18.224 19.000 0.022 0.000 0.818 405 A HN 0.433 nan 8.150 nan 0.000 0.443 406 A N -0.643 122.182 122.820 0.007 0.000 1.933 406 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 406 A C 2.208 179.794 177.584 0.003 0.000 1.175 406 A CA 1.801 53.843 52.037 0.010 0.000 0.628 406 A CB -0.881 18.127 19.000 0.013 0.000 0.814 406 A HN 0.399 nan 8.150 nan 0.000 0.444 407 V N -0.001 119.910 119.914 -0.004 0.000 2.427 407 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 407 V C 2.388 178.479 176.094 -0.005 0.000 1.051 407 V CA 2.233 64.530 62.300 -0.005 0.000 1.048 407 V CB -0.733 31.084 31.823 -0.010 0.000 0.666 407 V HN 0.643 nan 8.190 nan 0.000 0.456 408 E N -0.197 119.998 120.200 -0.008 0.000 2.072 408 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 408 E C 1.609 178.209 176.600 0.000 0.000 0.985 408 E CA 1.372 57.768 56.400 -0.006 0.000 0.801 408 E CB 0.028 29.722 29.700 -0.011 0.000 0.750 408 E HN 0.663 nan 8.360 nan 0.000 0.452 409 E N -0.892 119.310 120.200 0.003 0.000 2.715 409 E HA 0.227 4.577 4.350 -0.000 0.000 0.224 409 E C 0.170 176.775 176.600 0.008 0.000 0.962 409 E CA 0.102 56.506 56.400 0.006 0.000 1.145 409 E CB 1.680 31.385 29.700 0.009 0.000 1.083 409 E HN 0.226 nan 8.360 nan 0.000 0.506 410 G N 1.194 109.999 108.800 0.008 0.000 2.698 410 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.225 410 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.225 410 G C -0.320 174.588 174.900 0.013 0.000 1.345 410 G CA -0.482 44.624 45.100 0.010 0.000 0.871 410 G HN 0.497 nan 8.290 nan 0.000 0.540 411 V N -2.711 117.211 119.914 0.013 0.000 3.001 411 V HA 0.993 5.112 4.120 -0.000 0.000 0.314 411 V C 0.596 176.700 176.094 0.016 0.000 1.099 411 V CA 0.106 62.415 62.300 0.015 0.000 0.989 411 V CB 1.308 33.139 31.823 0.014 0.000 1.040 411 V HN 2.484 nan 8.190 nan 0.000 0.434 412 V N -1.151 118.773 119.914 0.017 0.000 3.160 412 V HA 1.015 5.135 4.120 -0.000 0.000 0.310 412 V C 0.422 176.527 176.094 0.018 0.000 1.181 412 V CA -0.713 61.599 62.300 0.019 0.000 1.047 412 V CB 1.241 33.075 31.823 0.019 0.000 1.068 412 V HN 2.097 nan 8.190 nan 0.000 0.441 413 A N 0.713 123.545 122.820 0.021 0.000 2.511 413 A HA 0.645 4.964 4.320 -0.000 0.000 0.242 413 A C 0.853 178.445 177.584 0.014 0.000 1.069 413 A CA 0.673 52.722 52.037 0.019 0.000 0.763 413 A CB -0.478 18.538 19.000 0.027 0.000 1.001 413 A HN 1.991 nan 8.150 nan 0.000 0.498 414 G N 0.431 109.235 108.800 0.007 0.000 2.509 414 G HA2 0.522 4.481 3.960 -0.000 0.000 0.269 414 G HA3 0.522 4.481 3.960 -0.000 0.000 0.269 414 G C 1.123 176.024 174.900 0.002 0.000 1.416 414 G CA -0.061 45.042 45.100 0.004 0.000 1.052 414 G HN 2.246 nan 8.290 nan 0.000 0.542 415 G N -2.031 106.769 108.800 0.000 0.000 2.203 415 G HA2 0.204 4.164 3.960 -0.000 0.000 0.263 415 G HA3 0.204 4.164 3.960 -0.000 0.000 0.263 415 G C 1.507 176.418 174.900 0.017 0.000 1.012 415 G CA 1.225 46.328 45.100 0.006 0.000 0.749 415 G HN 2.474 nan 8.290 nan 0.000 0.512 416 G N -2.398 106.411 108.800 0.016 0.000 2.168 416 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.263 416 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.263 416 G C 1.864 176.778 174.900 0.024 0.000 0.977 416 G CA 1.913 47.025 45.100 0.019 0.000 0.659 416 G HN 2.222 nan 8.290 nan 0.000 0.533 417 V N -1.305 118.624 119.914 0.025 0.000 2.591 417 V HA 0.365 4.484 4.120 -0.000 0.000 0.249 417 V C 2.781 178.896 176.094 0.035 0.000 1.053 417 V CA 2.043 64.364 62.300 0.034 0.000 1.068 417 V CB -0.535 31.310 31.823 0.036 0.000 0.689 417 V HN 1.411 nan 8.190 nan 0.000 0.462 418 A N 0.840 123.677 122.820 0.029 0.000 1.873 418 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 418 A C 2.244 179.844 177.584 0.026 0.000 1.193 418 A CA 2.450 54.503 52.037 0.028 0.000 0.629 418 A CB -0.833 18.181 19.000 0.023 0.000 0.826 418 A HN 0.611 nan 8.150 nan 0.000 0.447 419 L N -0.832 120.405 121.223 0.024 0.000 2.083 419 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 419 L C 2.496 179.380 176.870 0.023 0.000 1.083 419 L CA 1.003 55.856 54.840 0.021 0.000 0.752 419 L CB -0.394 41.677 42.059 0.019 0.000 0.899 419 L HN 0.401 nan 8.230 nan 0.000 0.433 420 I N -0.770 119.817 120.570 0.028 0.000 2.315 420 I HA -0.246 3.923 4.170 -0.000 0.000 0.248 420 I C 2.689 178.827 176.117 0.035 0.000 1.117 420 I CA 0.855 62.174 61.300 0.032 0.000 1.404 420 I CB -0.181 37.842 38.000 0.039 0.000 1.071 420 I HN 0.262 nan 8.210 nan 0.000 0.419 421 R N 0.164 120.687 120.500 0.039 0.000 2.092 421 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 421 R C 2.231 178.548 176.300 0.029 0.000 1.119 421 R CA 0.983 57.107 56.100 0.039 0.000 0.970 421 R CB -0.950 29.376 30.300 0.043 0.000 0.864 421 R HN 0.250 nan 8.270 nan 0.000 0.440 422 V N 1.412 121.340 119.914 0.024 0.000 2.343 422 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 422 V C 2.557 178.661 176.094 0.016 0.000 1.051 422 V CA 1.861 64.172 62.300 0.018 0.000 1.036 422 V CB -0.877 30.955 31.823 0.015 0.000 0.654 422 V HN 0.307 nan 8.190 nan 0.000 0.451 423 A N 0.817 123.647 122.820 0.018 0.000 1.908 423 A HA -0.243 4.076 4.320 -0.000 0.000 0.218 423 A C 2.568 180.161 177.584 0.016 0.000 1.181 423 A CA 2.502 54.549 52.037 0.015 0.000 0.627 423 A CB -0.858 18.152 19.000 0.016 0.000 0.818 423 A HN 0.703 nan 8.150 nan 0.000 0.445 424 S N 0.079 115.791 115.700 0.020 0.000 2.382 424 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 424 S C 1.741 176.351 174.600 0.015 0.000 1.027 424 S CA 1.495 59.706 58.200 0.019 0.000 0.991 424 S CB -0.448 62.767 63.200 0.024 0.000 0.823 424 S HN 0.611 nan 8.310 nan 0.000 0.469 425 K N 0.904 121.313 120.400 0.015 0.000 2.362 425 K HA 0.156 4.476 4.320 -0.000 0.000 0.200 425 K C 1.116 177.721 176.600 0.009 0.000 1.046 425 K CA 0.727 57.022 56.287 0.012 0.000 0.952 425 K CB -0.311 32.196 32.500 0.013 0.000 0.753 425 K HN 0.468 nan 8.250 nan 0.000 0.466 426 L N -0.198 121.030 121.223 0.009 0.000 2.741 426 L HA 0.215 4.555 4.340 -0.000 0.000 0.237 426 L C 1.824 178.698 176.870 0.006 0.000 1.178 426 L CA -0.224 54.620 54.840 0.007 0.000 0.973 426 L CB -0.046 42.017 42.059 0.006 0.000 1.255 426 L HN 0.026 nan 8.230 nan 0.000 0.498 427 A N 0.227 123.051 122.820 0.007 0.000 2.032 427 A HA -0.198 4.121 4.320 -0.000 0.000 0.221 427 A C 1.614 179.201 177.584 0.005 0.000 1.165 427 A CA 1.711 53.752 52.037 0.006 0.000 0.645 427 A CB -0.200 18.804 19.000 0.007 0.000 0.807 427 A HN 0.371 nan 8.150 nan 0.000 0.453 428 D N -1.241 119.161 120.400 0.004 0.000 2.349 428 D HA 0.145 4.785 4.640 -0.000 0.000 0.214 428 D C 0.300 176.602 176.300 0.003 0.000 1.063 428 D CA -0.262 53.740 54.000 0.003 0.000 0.847 428 D CB -0.073 40.728 40.800 0.003 0.000 0.933 428 D HN 0.346 nan 8.370 nan 0.000 0.513 429 L N 1.962 123.187 121.223 0.003 0.000 2.525 429 L HA 0.045 4.384 4.340 -0.000 0.000 0.278 429 L C 0.155 177.026 176.870 0.002 0.000 1.218 429 L CA 0.695 55.537 54.840 0.002 0.000 0.878 429 L CB 0.138 42.199 42.059 0.002 0.000 1.127 429 L HN -0.204 nan 8.230 nan 0.000 0.492 430 R N 3.040 123.541 120.500 0.002 0.000 2.836 430 R HA 0.712 5.052 4.340 -0.000 0.000 0.269 430 R C -0.247 176.054 176.300 0.001 0.000 1.010 430 R CA -0.321 55.780 56.100 0.001 0.000 0.930 430 R CB 1.462 31.763 30.300 0.001 0.000 1.218 430 R HN 0.808 nan 8.270 nan 0.000 0.473 431 G N -0.402 108.398 108.800 0.001 0.000 3.107 431 G HA2 0.230 4.189 3.960 -0.000 0.000 0.232 431 G HA3 0.230 4.189 3.960 -0.000 0.000 0.232 431 G C 0.025 174.926 174.900 0.001 0.000 1.339 431 G CA -0.277 44.823 45.100 0.001 0.000 1.033 431 G HN 0.403 nan 8.290 nan 0.000 0.567 432 Q N -0.521 119.280 119.800 0.001 0.000 2.378 432 Q HA 0.094 4.433 4.340 -0.000 0.000 0.205 432 Q C 0.129 176.130 176.000 0.001 0.000 0.954 432 Q CA 0.991 56.794 55.803 0.001 0.000 0.901 432 Q CB 0.031 28.769 28.738 0.001 0.000 0.981 432 Q HN 0.608 nan 8.270 nan 0.000 0.483 433 N N -3.082 115.619 118.700 0.001 0.000 3.106 433 N HA 0.344 5.084 4.740 -0.000 0.000 0.253 433 N C -0.176 175.335 175.510 0.002 0.000 1.506 433 N CA -0.059 52.991 53.050 0.001 0.000 0.876 433 N CB 0.136 38.623 38.487 0.002 0.000 1.452 433 N HN -0.151 nan 8.380 nan 0.000 0.542 434 A N -0.197 122.624 122.820 0.002 0.000 1.883 434 A HA -0.185 4.134 4.320 -0.000 0.000 0.217 434 A C 1.286 178.871 177.584 0.002 0.000 1.186 434 A CA 2.107 54.145 52.037 0.002 0.000 0.624 434 A CB -1.104 17.897 19.000 0.002 0.000 0.822 434 A HN 0.742 nan 8.150 nan 0.000 0.444 435 D N -0.541 119.860 120.400 0.002 0.000 2.123 435 D HA -0.165 4.474 4.640 -0.000 0.000 0.196 435 D C 2.158 178.460 176.300 0.003 0.000 0.992 435 D CA 1.513 55.514 54.000 0.003 0.000 0.833 435 D CB -0.412 40.390 40.800 0.003 0.000 0.954 435 D HN 0.633 nan 8.370 nan 0.000 0.455 436 Q N -0.051 119.751 119.800 0.003 0.000 2.167 436 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 436 Q C 1.796 177.797 176.000 0.002 0.000 0.970 436 Q CA 0.682 56.487 55.803 0.002 0.000 0.855 436 Q CB 0.059 28.798 28.738 0.002 0.000 0.911 436 Q HN 0.243 nan 8.270 nan 0.000 0.438 437 N N -0.094 118.607 118.700 0.002 0.000 2.142 437 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 437 N C 1.808 177.319 175.510 0.003 0.000 1.023 437 N CA 0.937 53.988 53.050 0.002 0.000 0.852 437 N CB -0.243 38.245 38.487 0.002 0.000 0.998 437 N HN 0.048 nan 8.380 nan 0.000 0.424 438 V N 0.905 120.820 119.914 0.003 0.000 2.407 438 V HA -0.147 3.972 4.120 -0.000 0.000 0.248 438 V C 2.405 178.501 176.094 0.004 0.000 1.055 438 V CA 1.959 64.261 62.300 0.003 0.000 1.049 438 V CB -1.183 30.642 31.823 0.003 0.000 0.662 438 V HN 0.336 nan 8.190 nan 0.000 0.455 439 G N -0.017 108.786 108.800 0.004 0.000 2.421 439 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.216 439 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.216 439 G C 1.583 176.485 174.900 0.004 0.000 1.171 439 G CA 1.071 46.173 45.100 0.004 0.000 0.775 439 G HN 0.474 nan 8.290 nan 0.000 0.543 440 I N 0.479 121.051 120.570 0.003 0.000 2.151 440 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 440 I C 2.706 178.826 176.117 0.004 0.000 1.080 440 I CA 1.188 62.490 61.300 0.003 0.000 1.339 440 I CB -0.078 37.923 38.000 0.002 0.000 1.039 440 I HN 0.016 nan 8.210 nan 0.000 0.409 441 K N 0.355 120.757 120.400 0.004 0.000 2.148 441 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 441 K C 2.109 178.712 176.600 0.005 0.000 1.050 441 K CA 0.933 57.223 56.287 0.005 0.000 0.942 441 K CB -0.610 31.892 32.500 0.004 0.000 0.724 441 K HN 0.228 nan 8.250 nan 0.000 0.446 442 V N 1.582 121.500 119.914 0.005 0.000 2.343 442 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 442 V C 2.449 178.547 176.094 0.007 0.000 1.051 442 V CA 2.004 64.307 62.300 0.006 0.000 1.036 442 V CB -0.730 31.097 31.823 0.006 0.000 0.654 442 V HN 0.283 nan 8.190 nan 0.000 0.451 443 A N -0.267 122.557 122.820 0.006 0.000 1.898 443 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 443 A C 2.180 179.769 177.584 0.007 0.000 1.181 443 A CA 1.650 53.690 52.037 0.006 0.000 0.620 443 A CB -0.504 18.499 19.000 0.004 0.000 0.819 443 A HN 0.501 nan 8.150 nan 0.000 0.442 444 L N -1.350 119.877 121.223 0.007 0.000 2.083 444 L HA -0.148 4.191 4.340 -0.000 0.000 0.209 444 L C 2.809 179.684 176.870 0.009 0.000 1.083 444 L CA 1.606 56.451 54.840 0.008 0.000 0.752 444 L CB -0.554 41.510 42.059 0.008 0.000 0.899 444 L HN 0.421 nan 8.230 nan 0.000 0.433 445 R N 0.283 120.788 120.500 0.008 0.000 2.075 445 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 445 R C 2.404 178.709 176.300 0.009 0.000 1.126 445 R CA 1.269 57.373 56.100 0.008 0.000 0.963 445 R CB -0.180 30.124 30.300 0.007 0.000 0.858 445 R HN 0.329 nan 8.270 nan 0.000 0.435 446 A N 0.646 123.471 122.820 0.009 0.000 1.972 446 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 446 A C 2.076 179.667 177.584 0.011 0.000 1.169 446 A CA 1.337 53.380 52.037 0.010 0.000 0.635 446 A CB -0.406 18.601 19.000 0.011 0.000 0.810 446 A HN 0.318 nan 8.150 nan 0.000 0.446 447 M N -0.664 118.943 119.600 0.012 0.000 2.446 447 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 447 M C 1.491 177.799 176.300 0.014 0.000 1.066 447 M CA 1.234 56.542 55.300 0.013 0.000 1.087 447 M CB -0.261 32.347 32.600 0.013 0.000 1.406 447 M HN 0.489 nan 8.290 nan 0.000 0.459 448 E N -0.144 120.064 120.200 0.012 0.000 2.385 448 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 448 E C 2.054 178.659 176.600 0.008 0.000 1.013 448 E CA 0.421 56.828 56.400 0.012 0.000 0.866 448 E CB 0.078 29.784 29.700 0.010 0.000 0.832 448 E HN 0.477 nan 8.360 nan 0.000 0.500 449 A N 2.425 125.249 122.820 0.008 0.000 1.892 449 A HA -0.159 4.160 4.320 -0.000 0.000 0.218 449 A C -0.335 177.253 177.584 0.006 0.000 1.188 449 A CA 1.420 53.461 52.037 0.006 0.000 0.631 449 A CB -1.447 17.558 19.000 0.008 0.000 0.822 449 A HN 0.131 nan 8.150 nan 0.000 0.447 450 P HA -0.176 nan 4.420 nan 0.000 0.213 450 P C 1.858 179.163 177.300 0.009 0.000 1.170 450 P CA 1.146 64.252 63.100 0.010 0.000 0.902 450 P CB -0.154 31.554 31.700 0.014 0.000 0.789 451 L N -0.759 120.470 121.223 0.010 0.000 2.042 451 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 451 L C 2.459 179.326 176.870 -0.005 0.000 1.076 451 L CA 1.819 56.664 54.840 0.009 0.000 0.749 451 L CB -0.331 41.735 42.059 0.011 0.000 0.893 451 L HN -0.179 nan 8.230 nan 0.000 0.432 452 R N -0.829 119.666 120.500 -0.009 0.000 2.081 452 R HA -0.231 4.108 4.340 -0.000 0.000 0.235 452 R C 2.345 178.635 176.300 -0.016 0.000 1.131 452 R CA 1.734 57.822 56.100 -0.020 0.000 0.960 452 R CB -0.397 29.895 30.300 -0.013 0.000 0.856 452 R HN 0.385 nan 8.270 nan 0.000 0.436 453 Q N 1.041 120.837 119.800 -0.006 0.000 2.119 453 Q HA -0.067 4.273 4.340 -0.000 0.000 0.201 453 Q C 1.814 177.814 176.000 0.001 0.000 0.972 453 Q CA 1.464 57.266 55.803 -0.003 0.000 0.847 453 Q CB -0.108 28.631 28.738 0.001 0.000 0.903 453 Q HN 0.357 nan 8.270 nan 0.000 0.433 454 I N -0.807 119.767 120.570 0.006 0.000 2.226 454 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 454 I C 1.948 178.081 176.117 0.028 0.000 1.100 454 I CA 0.872 62.184 61.300 0.019 0.000 1.374 454 I CB -0.217 37.801 38.000 0.030 0.000 1.057 454 I HN 0.065 nan 8.210 nan 0.000 0.413 455 V N 0.495 120.412 119.914 0.005 0.000 2.358 455 V HA -0.250 3.869 4.120 -0.000 0.000 0.246 455 V C 2.350 178.431 176.094 -0.021 0.000 1.047 455 V CA 1.397 63.680 62.300 -0.028 0.000 1.035 455 V CB -0.449 31.286 31.823 -0.145 0.000 0.658 455 V HN 0.337 nan 8.190 nan 0.000 0.452 456 L N 0.912 122.123 121.223 -0.020 0.000 2.046 456 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 456 L C 2.167 179.036 176.870 -0.002 0.000 1.077 456 L CA 1.937 56.769 54.840 -0.014 0.000 0.747 456 L CB -0.887 41.165 42.059 -0.012 0.000 0.896 456 L HN 0.316 nan 8.230 nan 0.000 0.432 457 N N -1.227 117.475 118.700 0.004 0.000 2.364 457 N HA -0.156 4.583 4.740 -0.000 0.000 0.183 457 N C 1.779 177.296 175.510 0.012 0.000 1.022 457 N CA 1.492 54.546 53.050 0.006 0.000 0.883 457 N CB -0.686 37.804 38.487 0.006 0.000 0.965 457 N HN 0.436 nan 8.380 nan 0.000 0.438 458 C N -0.820 118.494 119.300 0.024 0.000 2.468 458 C HA 0.205 4.665 4.460 -0.000 0.000 0.277 458 C C 1.757 176.763 174.990 0.026 0.000 1.400 458 C CA 0.659 59.699 59.018 0.037 0.000 1.770 458 C CB -1.003 26.788 27.740 0.086 0.000 1.905 458 C HN 0.636 nan 8.230 nan 0.000 0.519 459 G N 0.420 109.228 108.800 0.014 0.000 2.144 459 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 459 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 459 G C -0.235 174.668 174.900 0.005 0.000 0.988 459 G CA 0.040 45.145 45.100 0.008 0.000 0.659 459 G HN 0.462 nan 8.290 nan 0.000 0.522 460 E N 0.286 120.483 120.200 -0.004 0.000 2.284 460 E HA 0.470 4.820 4.350 -0.000 0.000 0.255 460 E C 0.134 176.705 176.600 -0.049 0.000 1.052 460 E CA -0.695 55.689 56.400 -0.027 0.000 0.904 460 E CB 0.613 30.277 29.700 -0.060 0.000 1.217 460 E HN 0.483 nan 8.360 nan 0.000 0.438 461 E N 1.579 121.743 120.200 -0.059 0.000 2.089 461 E HA 0.129 4.479 4.350 -0.000 0.000 0.284 461 E C -1.746 174.808 176.600 -0.077 0.000 1.023 461 E CA -1.597 54.772 56.400 -0.051 0.000 0.819 461 E CB 0.932 30.613 29.700 -0.031 0.000 1.076 461 E HN 0.119 nan 8.360 nan 0.000 0.396 462 P HA -0.211 nan 4.420 nan 0.000 0.215 462 P C 1.173 178.443 177.300 -0.051 0.000 1.157 462 P CA 1.226 64.287 63.100 -0.066 0.000 0.874 462 P CB 0.317 31.993 31.700 -0.039 0.000 0.790 463 S N -1.112 114.569 115.700 -0.032 0.000 2.383 463 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 463 S C 1.954 176.546 174.600 -0.015 0.000 1.026 463 S CA 1.042 59.231 58.200 -0.018 0.000 0.981 463 S CB -1.054 62.139 63.200 -0.011 0.000 0.818 463 S HN -0.070 nan 8.310 nan 0.000 0.472 464 V N 1.296 121.199 119.914 -0.020 0.000 2.261 464 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 464 V C 2.301 178.400 176.094 0.008 0.000 1.047 464 V CA 1.498 63.795 62.300 -0.005 0.000 1.015 464 V CB -0.717 31.104 31.823 -0.004 0.000 0.642 464 V HN 0.331 nan 8.190 nan 0.000 0.446 465 V N 0.318 120.205 119.914 -0.045 0.000 2.295 465 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 465 V C 2.721 178.825 176.094 0.017 0.000 1.049 465 V CA 1.968 64.235 62.300 -0.055 0.000 1.024 465 V CB -1.181 30.404 31.823 -0.397 0.000 0.648 465 V HN 0.552 nan 8.190 nan 0.000 0.447 466 A N 0.393 123.203 122.820 -0.016 0.000 1.908 466 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 466 A C 2.066 179.674 177.584 0.041 0.000 1.181 466 A CA 2.437 54.482 52.037 0.013 0.000 0.627 466 A CB -0.886 18.114 19.000 -0.001 0.000 0.818 466 A HN 0.621 nan 8.150 nan 0.000 0.445 467 N N -0.669 118.049 118.700 0.031 0.000 2.084 467 N HA -0.125 4.614 4.740 -0.000 0.000 0.190 467 N C 1.717 177.256 175.510 0.049 0.000 1.030 467 N CA 2.360 55.429 53.050 0.031 0.000 0.849 467 N CB -0.397 38.100 38.487 0.016 0.000 1.012 467 N HN 0.397 nan 8.380 nan 0.000 0.423 468 T N -0.426 114.165 114.554 0.061 0.000 2.708 468 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 468 T C 1.961 176.770 174.700 0.182 0.000 1.037 468 T CA 1.296 63.428 62.100 0.054 0.000 1.146 468 T CB -0.453 68.372 68.868 -0.071 0.000 0.865 468 T HN 0.019 nan 8.240 nan 0.000 0.435 469 V N 1.602 121.651 119.914 0.225 0.000 2.343 469 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 469 V C 2.460 178.683 176.094 0.214 0.000 1.051 469 V CA 1.530 63.979 62.300 0.248 0.000 1.036 469 V CB -0.481 31.432 31.823 0.150 0.000 0.654 469 V HN 0.470 nan 8.190 nan 0.000 0.451 470 K N 0.175 120.652 120.400 0.128 0.000 2.209 470 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 470 K C 2.183 178.831 176.600 0.080 0.000 1.048 470 K CA 1.274 57.615 56.287 0.090 0.000 0.940 470 K CB -0.487 32.046 32.500 0.056 0.000 0.729 470 K HN 0.580 nan 8.250 nan 0.000 0.451 471 G N 1.161 110.009 108.800 0.080 0.000 2.422 471 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 471 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 471 G C 0.897 175.802 174.900 0.009 0.000 1.140 471 G CA 0.743 45.863 45.100 0.032 0.000 0.775 471 G HN 0.376 nan 8.290 nan 0.000 0.545 472 G N -0.061 108.780 108.800 0.067 0.000 2.546 472 G HA2 0.482 4.441 3.960 -0.000 0.000 0.239 472 G HA3 0.482 4.441 3.960 -0.000 0.000 0.239 472 G C -0.508 174.426 174.900 0.056 0.000 1.476 472 G CA 0.422 45.491 45.100 -0.053 0.000 1.064 472 G HN 0.482 nan 8.290 nan 0.000 0.561 473 D N -4.166 116.280 120.400 0.075 0.000 2.725 473 D HA 0.497 5.137 4.640 -0.000 0.000 0.292 473 D C 0.497 176.861 176.300 0.107 0.000 1.288 473 D CA 0.577 54.628 54.000 0.085 0.000 0.784 473 D CB 0.471 41.290 40.800 0.032 0.000 1.308 473 D HN 1.781 nan 8.370 nan 0.000 0.429 474 G N 0.561 109.411 108.800 0.083 0.000 2.550 474 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.277 474 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.277 474 G C 0.236 175.198 174.900 0.104 0.000 1.190 474 G CA 0.334 45.481 45.100 0.078 0.000 0.971 474 G HN 0.787 nan 8.290 nan 0.000 0.559 475 N N 0.004 118.767 118.700 0.105 0.000 2.370 475 N HA 0.215 4.954 4.740 -0.000 0.000 0.198 475 N C 0.298 175.895 175.510 0.145 0.000 1.156 475 N CA -0.085 53.026 53.050 0.101 0.000 0.839 475 N CB 0.140 38.670 38.487 0.072 0.000 0.989 475 N HN 0.472 nan 8.380 nan 0.000 0.468 476 Y N 1.474 121.808 120.300 0.057 0.000 2.526 476 Y HA 0.344 4.894 4.550 -0.000 0.000 0.330 476 Y C 0.674 176.644 175.900 0.117 0.000 1.156 476 Y CA 0.157 58.308 58.100 0.085 0.000 1.419 476 Y CB 0.218 38.723 38.460 0.075 0.000 1.250 476 Y HN 0.004 nan 8.280 nan 0.000 0.540 477 G N 3.967 112.554 108.800 -0.355 0.000 2.619 477 G HA2 0.264 4.224 3.960 -0.000 0.000 0.305 477 G HA3 0.264 4.224 3.960 -0.000 0.000 0.305 477 G C -2.495 172.275 174.900 -0.217 0.000 1.330 477 G CA -0.950 44.020 45.100 -0.216 0.000 0.789 477 G HN 0.535 nan 8.290 nan 0.000 0.487 478 Y N 1.532 121.659 120.300 -0.289 0.000 2.331 478 Y HA 0.579 5.129 4.550 -0.000 0.000 0.338 478 Y C -0.039 175.694 175.900 -0.279 0.000 0.992 478 Y CA -1.322 56.516 58.100 -0.437 0.000 1.121 478 Y CB 1.528 39.702 38.460 -0.477 0.000 1.184 478 Y HN 0.428 nan 8.280 nan 0.000 0.469 479 N N 4.748 123.009 118.700 -0.731 0.000 2.437 479 N HA 0.180 4.920 4.740 -0.000 0.000 0.243 479 N C 0.349 175.403 175.510 -0.761 0.000 1.041 479 N CA 0.513 53.243 53.050 -0.532 0.000 0.940 479 N CB 1.448 39.715 38.487 -0.366 0.000 1.133 479 N HN 0.913 nan 8.380 nan 0.000 0.506 480 A N 3.605 126.156 122.820 -0.447 0.000 2.067 480 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 480 A C 1.978 179.444 177.584 -0.197 0.000 1.158 480 A CA 1.457 53.333 52.037 -0.269 0.000 0.661 480 A CB -0.287 18.694 19.000 -0.032 0.000 0.801 480 A HN 0.709 nan 8.150 nan 0.000 0.452 481 A N -0.288 122.419 122.820 -0.188 0.000 1.872 481 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 481 A C 2.321 179.824 177.584 -0.135 0.000 1.187 481 A CA 2.201 54.163 52.037 -0.126 0.000 0.614 481 A CB -0.910 18.029 19.000 -0.101 0.000 0.826 481 A HN 0.727 nan 8.150 nan 0.000 0.442 482 T N -3.726 110.714 114.554 -0.190 0.000 3.040 482 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 482 T C 0.215 174.792 174.700 -0.204 0.000 1.058 482 T CA 0.654 62.657 62.100 -0.162 0.000 0.988 482 T CB -0.147 68.636 68.868 -0.142 0.000 0.993 482 T HN 0.527 nan 8.240 nan 0.000 0.519 483 E N 1.127 121.106 120.200 -0.369 0.000 2.513 483 E HA -0.129 4.221 4.350 -0.000 0.000 0.257 483 E C -0.841 175.546 176.600 -0.356 0.000 1.098 483 E CA 0.608 56.761 56.400 -0.412 0.000 0.752 483 E CB -1.370 28.295 29.700 -0.059 0.000 1.324 483 E HN 0.671 nan 8.360 nan 0.000 0.403 484 E N -0.265 119.640 120.200 -0.491 0.000 2.288 484 E HA 0.430 4.780 4.350 -0.000 0.000 0.268 484 E C -0.333 176.081 176.600 -0.309 0.000 0.885 484 E CA -0.741 55.525 56.400 -0.223 0.000 0.767 484 E CB 0.994 30.636 29.700 -0.097 0.000 1.220 484 E HN 0.024 nan 8.360 nan 0.000 0.427 485 Y N 0.054 120.337 120.300 -0.029 0.000 2.326 485 Y HA 0.600 5.150 4.550 -0.000 0.000 0.324 485 Y C 1.260 177.130 175.900 -0.051 0.000 1.291 485 Y CA 0.609 58.661 58.100 -0.081 0.000 1.348 485 Y CB 1.504 39.956 38.460 -0.014 0.000 1.294 485 Y HN 0.687 nan 8.280 nan 0.000 0.525 486 G N 0.437 109.268 108.800 0.051 0.000 2.336 486 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.286 486 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.286 486 G C -1.875 173.093 174.900 0.112 0.000 1.269 486 G CA -1.140 44.043 45.100 0.139 0.000 0.873 486 G HN 0.516 nan 8.290 nan 0.000 0.494 487 N N 1.199 119.965 118.700 0.110 0.000 2.420 487 N HA 0.168 4.908 4.740 -0.000 0.000 0.249 487 N C 1.722 177.253 175.510 0.035 0.000 1.033 487 N CA -0.576 52.530 53.050 0.094 0.000 0.944 487 N CB 0.866 39.406 38.487 0.088 0.000 1.113 487 N HN 0.368 nan 8.380 nan 0.000 0.502 488 M N 3.273 122.885 119.600 0.020 0.000 2.106 488 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 488 M C 1.628 177.930 176.300 0.003 0.000 1.068 488 M CA 1.223 56.520 55.300 -0.005 0.000 1.100 488 M CB -0.660 31.938 32.600 -0.003 0.000 1.351 488 M HN 0.537 nan 8.290 nan 0.000 0.404 489 I N 0.473 121.054 120.570 0.018 0.000 2.179 489 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 489 I C 1.894 178.018 176.117 0.012 0.000 1.088 489 I CA 1.446 62.755 61.300 0.015 0.000 1.357 489 I CB -1.664 36.349 38.000 0.022 0.000 1.051 489 I HN 0.238 nan 8.210 nan 0.000 0.409 490 D N 0.555 120.965 120.400 0.017 0.000 2.178 490 D HA -0.134 4.505 4.640 -0.000 0.000 0.201 490 D C 2.166 178.468 176.300 0.004 0.000 0.980 490 D CA 1.073 55.081 54.000 0.014 0.000 0.842 490 D CB -0.130 40.684 40.800 0.023 0.000 0.948 490 D HN 0.356 nan 8.370 nan 0.000 0.472 491 M N -0.755 118.843 119.600 -0.004 0.000 2.561 491 M HA 0.162 4.641 4.480 -0.000 0.000 0.238 491 M C 0.957 177.244 176.300 -0.021 0.000 1.131 491 M CA 0.366 55.654 55.300 -0.019 0.000 1.046 491 M CB 0.545 33.123 32.600 -0.037 0.000 1.532 491 M HN 0.019 nan 8.290 nan 0.000 0.497 492 G N 2.294 111.087 108.800 -0.012 0.000 2.198 492 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.257 492 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.257 492 G C -0.063 174.828 174.900 -0.015 0.000 1.042 492 G CA -0.176 44.918 45.100 -0.011 0.000 0.791 492 G HN 0.547 nan 8.290 nan 0.000 0.502 493 I N 0.951 121.511 120.570 -0.017 0.000 2.377 493 I HA 0.445 4.614 4.170 -0.000 0.000 0.282 493 I C 0.477 176.589 176.117 -0.008 0.000 1.091 493 I CA -0.496 60.791 61.300 -0.020 0.000 1.207 493 I CB 0.380 38.359 38.000 -0.036 0.000 1.429 493 I HN 0.017 nan 8.210 nan 0.000 0.491 494 L N 4.250 125.472 121.223 -0.002 0.000 2.323 494 L HA 0.705 5.044 4.340 -0.000 0.000 0.265 494 L C -0.959 175.916 176.870 0.009 0.000 1.012 494 L CA -0.970 53.874 54.840 0.005 0.000 0.820 494 L CB 1.966 44.030 42.059 0.008 0.000 1.334 494 L HN 0.262 nan 8.230 nan 0.000 0.427 495 D N 0.505 120.913 120.400 0.013 0.000 2.619 495 D HA 0.399 5.039 4.640 -0.000 0.000 0.241 495 D C -2.658 173.656 176.300 0.022 0.000 1.087 495 D CA -1.480 52.530 54.000 0.018 0.000 0.851 495 D CB 2.444 43.255 40.800 0.018 0.000 1.474 495 D HN 0.136 nan 8.370 nan 0.000 0.478 496 P HA 0.109 nan 4.420 nan 0.000 0.271 496 P C 0.793 178.110 177.300 0.028 0.000 1.226 496 P CA -0.041 63.077 63.100 0.029 0.000 0.765 496 P CB 0.643 32.367 31.700 0.041 0.000 0.835 497 T N 2.558 117.125 114.554 0.022 0.000 2.760 497 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 497 T C 1.605 176.319 174.700 0.024 0.000 1.047 497 T CA 1.373 63.485 62.100 0.020 0.000 1.139 497 T CB -0.273 68.605 68.868 0.016 0.000 0.855 497 T HN 0.496 nan 8.240 nan 0.000 0.471 498 K N 0.702 121.118 120.400 0.027 0.000 2.057 498 K HA -0.087 4.232 4.320 -0.000 0.000 0.207 498 K C 2.446 179.076 176.600 0.049 0.000 1.049 498 K CA 1.426 57.733 56.287 0.034 0.000 0.931 498 K CB -0.351 32.169 32.500 0.033 0.000 0.714 498 K HN 0.328 nan 8.250 nan 0.000 0.440 499 V N 0.347 120.294 119.914 0.054 0.000 2.453 499 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 499 V C 1.706 177.834 176.094 0.055 0.000 1.048 499 V CA 2.378 64.716 62.300 0.064 0.000 1.049 499 V CB -0.512 31.347 31.823 0.060 0.000 0.672 499 V HN 0.346 nan 8.190 nan 0.000 0.457 500 T N 0.585 115.163 114.554 0.041 0.000 2.746 500 T HA -0.170 4.179 4.350 -0.000 0.000 0.267 500 T C 1.964 176.682 174.700 0.031 0.000 1.039 500 T CA 2.077 64.197 62.100 0.033 0.000 1.142 500 T CB -0.377 68.506 68.868 0.025 0.000 0.866 500 T HN 0.613 nan 8.240 nan 0.000 0.444 501 R N 0.910 121.425 120.500 0.025 0.000 2.066 501 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 501 R C 2.525 178.828 176.300 0.005 0.000 1.131 501 R CA 1.672 57.777 56.100 0.008 0.000 0.955 501 R CB -0.339 29.962 30.300 0.001 0.000 0.851 501 R HN 0.238 nan 8.270 nan 0.000 0.432 502 S N 0.685 116.412 115.700 0.044 0.000 2.368 502 S HA -0.120 4.349 4.470 -0.000 0.000 0.225 502 S C 2.030 176.733 174.600 0.172 0.000 1.030 502 S CA 1.148 59.410 58.200 0.103 0.000 0.999 502 S CB -0.246 63.080 63.200 0.210 0.000 0.844 502 S HN 0.572 nan 8.310 nan 0.000 0.459 503 A N 1.445 124.342 122.820 0.129 0.000 1.883 503 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 503 A C 2.145 179.782 177.584 0.089 0.000 1.186 503 A CA 1.518 53.626 52.037 0.119 0.000 0.624 503 A CB -0.761 18.282 19.000 0.071 0.000 0.822 503 A HN 0.414 nan 8.150 nan 0.000 0.444 504 L N -0.217 121.033 121.223 0.044 0.000 2.027 504 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 504 L C 2.500 179.365 176.870 -0.008 0.000 1.074 504 L CA 2.325 57.176 54.840 0.018 0.000 0.745 504 L CB -0.740 41.322 42.059 0.005 0.000 0.898 504 L HN 0.512 nan 8.230 nan 0.000 0.433 505 Q N -1.871 117.892 119.800 -0.063 0.000 2.079 505 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 505 Q C 2.127 178.020 176.000 -0.178 0.000 0.974 505 Q CA 1.902 57.608 55.803 -0.161 0.000 0.840 505 Q CB -0.280 28.291 28.738 -0.278 0.000 0.898 505 Q HN 0.520 nan 8.270 nan 0.000 0.430 506 Y N 0.127 120.431 120.300 0.005 0.000 2.314 506 Y HA -0.100 4.449 4.550 -0.000 0.000 0.293 506 Y C 2.330 178.233 175.900 0.004 0.000 1.129 506 Y CA 0.825 58.928 58.100 0.005 0.000 1.201 506 Y CB -0.509 37.954 38.460 0.004 0.000 0.999 506 Y HN 0.124 nan 8.280 nan 0.000 0.541 507 A N 0.060 122.965 122.820 0.141 0.000 1.877 507 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 507 A C 2.451 180.068 177.584 0.054 0.000 1.186 507 A CA 1.928 54.015 52.037 0.084 0.000 0.620 507 A CB -1.209 17.826 19.000 0.059 0.000 0.822 507 A HN 0.371 nan 8.150 nan 0.000 0.443 508 A N -0.915 121.923 122.820 0.031 0.000 1.969 508 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 508 A C 2.451 180.044 177.584 0.015 0.000 1.169 508 A CA 2.052 54.097 52.037 0.013 0.000 0.635 508 A CB -0.865 18.132 19.000 -0.006 0.000 0.810 508 A HN 0.585 nan 8.150 nan 0.000 0.445 509 S N -0.421 115.291 115.700 0.019 0.000 2.343 509 S HA -0.139 4.330 4.470 -0.000 0.000 0.219 509 S C 1.911 176.539 174.600 0.047 0.000 1.033 509 S CA 1.868 60.085 58.200 0.027 0.000 1.014 509 S CB -0.521 62.704 63.200 0.041 0.000 0.915 509 S HN 0.307 nan 8.310 nan 0.000 0.435 510 V N 2.285 122.240 119.914 0.069 0.000 2.427 510 V HA -0.052 4.067 4.120 -0.000 0.000 0.248 510 V C 2.900 179.016 176.094 0.037 0.000 1.051 510 V CA 1.601 63.934 62.300 0.055 0.000 1.048 510 V CB -1.424 30.434 31.823 0.060 0.000 0.666 510 V HN 0.619 nan 8.190 nan 0.000 0.456 511 A N 0.821 123.662 122.820 0.035 0.000 1.902 511 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 511 A C 2.439 180.036 177.584 0.021 0.000 1.181 511 A CA 1.978 54.030 52.037 0.026 0.000 0.623 511 A CB -1.262 17.752 19.000 0.023 0.000 0.818 511 A HN 0.521 nan 8.150 nan 0.000 0.443 512 G N -0.231 108.581 108.800 0.020 0.000 2.442 512 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 512 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 512 G C 1.540 176.450 174.900 0.017 0.000 1.141 512 G CA 1.070 46.179 45.100 0.015 0.000 0.763 512 G HN 0.446 nan 8.290 nan 0.000 0.554 513 L N -0.335 120.901 121.223 0.021 0.000 2.093 513 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 513 L C 3.094 179.975 176.870 0.020 0.000 1.085 513 L CA 0.830 55.682 54.840 0.020 0.000 0.755 513 L CB -0.308 41.765 42.059 0.023 0.000 0.904 513 L HN 0.222 nan 8.230 nan 0.000 0.435 514 M N -0.594 119.018 119.600 0.021 0.000 2.132 514 M HA -0.182 4.297 4.480 -0.000 0.000 0.263 514 M C 2.306 178.617 176.300 0.018 0.000 1.065 514 M CA 1.763 57.075 55.300 0.020 0.000 1.122 514 M CB -0.285 32.327 32.600 0.021 0.000 1.365 514 M HN 0.198 nan 8.290 nan 0.000 0.411 515 I N 0.124 120.705 120.570 0.017 0.000 2.454 515 I HA -0.222 3.948 4.170 -0.000 0.000 0.254 515 I C 1.786 177.913 176.117 0.017 0.000 1.156 515 I CA 1.424 62.733 61.300 0.016 0.000 1.433 515 I CB -0.340 37.668 38.000 0.014 0.000 1.082 515 I HN 0.389 nan 8.210 nan 0.000 0.432 516 T N -3.440 111.125 114.554 0.017 0.000 3.186 516 T HA 0.151 4.500 4.350 -0.000 0.000 0.257 516 T C 0.563 175.276 174.700 0.021 0.000 1.029 516 T CA -0.278 61.834 62.100 0.019 0.000 0.916 516 T CB -0.409 68.469 68.868 0.017 0.000 1.041 516 T HN -0.061 nan 8.240 nan 0.000 0.562 517 T N 2.489 117.056 114.554 0.021 0.000 2.780 517 T HA 0.279 4.629 4.350 -0.000 0.000 0.294 517 T C 0.664 175.379 174.700 0.025 0.000 0.949 517 T CA -0.454 61.657 62.100 0.019 0.000 1.074 517 T CB 1.443 70.321 68.868 0.016 0.000 0.910 517 T HN 0.104 nan 8.240 nan 0.000 0.501 518 E N 0.615 120.834 120.200 0.031 0.000 2.413 518 E HA 0.157 4.507 4.350 -0.000 0.000 0.203 518 E C 0.246 176.871 176.600 0.041 0.000 0.957 518 E CA 0.168 56.605 56.400 0.061 0.000 0.950 518 E CB 0.683 30.441 29.700 0.097 0.000 0.957 518 E HN 0.583 nan 8.360 nan 0.000 0.497 519 C N 0.587 119.860 119.300 -0.045 0.000 2.783 519 C HA 0.700 5.160 4.460 -0.000 0.000 0.312 519 C C -1.254 173.643 174.990 -0.155 0.000 1.182 519 C CA -0.630 58.247 59.018 -0.235 0.000 1.432 519 C CB 0.454 27.990 27.740 -0.340 0.000 1.933 519 C HN 0.126 nan 8.230 nan 0.000 0.473 520 M N 5.054 124.560 119.600 -0.157 0.000 2.326 520 M HA 0.568 5.047 4.480 -0.000 0.000 0.306 520 M C -1.123 175.232 176.300 0.092 0.000 1.054 520 M CA -0.554 54.769 55.300 0.038 0.000 0.922 520 M CB 2.085 34.828 32.600 0.239 0.000 1.632 520 M HN 0.386 nan 8.290 nan 0.000 0.436 521 V N 1.437 121.366 119.914 0.025 0.000 2.487 521 V HA 0.760 4.879 4.120 -0.000 0.000 0.298 521 V C -0.271 175.768 176.094 -0.091 0.000 1.028 521 V CA -0.401 61.895 62.300 -0.007 0.000 0.860 521 V CB 1.878 33.680 31.823 -0.035 0.000 0.991 521 V HN 0.949 nan 8.190 nan 0.000 0.427 522 T N 1.933 116.390 114.554 -0.161 0.000 2.816 522 T HA 0.405 4.755 4.350 -0.000 0.000 0.299 522 T C -1.344 173.249 174.700 -0.178 0.000 1.230 522 T CA -0.555 61.389 62.100 -0.260 0.000 1.007 522 T CB 1.908 70.441 68.868 -0.559 0.000 1.289 522 T HN 0.635 nan 8.240 nan 0.000 0.508 523 D N 1.755 122.065 120.400 -0.151 0.000 2.399 523 D HA 0.296 4.936 4.640 -0.000 0.000 0.241 523 D C -0.005 176.242 176.300 -0.090 0.000 1.133 523 D CA -0.120 53.824 54.000 -0.093 0.000 0.890 523 D CB 0.452 41.208 40.800 -0.075 0.000 1.201 523 D HN 0.264 nan 8.370 nan 0.000 0.432 524 L N 4.302 125.501 121.223 -0.040 0.000 2.453 524 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 524 L C -1.727 175.130 176.870 -0.022 0.000 1.182 524 L CA -1.303 53.529 54.840 -0.013 0.000 0.858 524 L CB 0.166 42.229 42.059 0.008 0.000 1.120 524 L HN 0.295 nan 8.230 nan 0.000 0.474 525 P HA 0.038 nan 4.420 nan 0.000 0.245 525 P C -0.948 176.348 177.300 -0.007 0.000 1.670 525 P CA 0.385 63.477 63.100 -0.014 0.000 1.146 525 P CB -0.088 31.613 31.700 0.002 0.000 1.954 526 K N 0.000 120.393 120.400 -0.012 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 526 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543