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 1sx4_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL 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 QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 0.000 177.574 177.584 -0.016 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 3 A N 2.063 124.876 122.820 -0.012 0.000 2.531 3 A HA 0.531 4.851 4.320 -0.000 0.000 0.236 3 A C 0.237 177.812 177.584 -0.015 0.000 1.062 3 A CA 0.337 52.370 52.037 -0.007 0.000 0.760 3 A CB -0.026 18.973 19.000 -0.001 0.000 0.995 3 A HN 0.621 nan 8.150 nan 0.000 0.501 4 K N 1.505 121.898 120.400 -0.012 0.000 2.156 4 K HA 0.403 4.723 4.320 -0.000 0.000 0.250 4 K C -1.206 175.396 176.600 0.004 0.000 0.955 4 K CA -0.714 55.560 56.287 -0.021 0.000 0.855 4 K CB 1.460 33.947 32.500 -0.023 0.000 1.101 4 K HN 0.669 nan 8.250 nan 0.000 0.434 5 D N 1.845 122.249 120.400 0.007 0.000 2.392 5 D HA 0.216 4.856 4.640 -0.000 0.000 0.228 5 D C -0.931 175.466 176.300 0.162 0.000 1.074 5 D CA -0.540 53.517 54.000 0.094 0.000 0.838 5 D CB 0.893 41.768 40.800 0.125 0.000 1.067 5 D HN 0.281 nan 8.370 nan 0.000 0.511 6 V N 1.245 121.208 119.914 0.080 0.000 2.472 6 V HA 0.645 4.765 4.120 -0.000 0.000 0.290 6 V C -0.245 175.749 176.094 -0.167 0.000 1.037 6 V CA -0.633 61.637 62.300 -0.049 0.000 0.908 6 V CB 1.572 33.271 31.823 -0.207 0.000 0.985 6 V HN 0.303 nan 8.190 nan 0.000 0.454 7 K N 3.836 124.064 120.400 -0.288 0.000 2.324 7 K HA 0.684 5.004 4.320 -0.000 0.000 0.253 7 K C -1.530 174.778 176.600 -0.486 0.000 0.932 7 K CA -0.454 55.590 56.287 -0.405 0.000 0.799 7 K CB 2.118 34.213 32.500 -0.675 0.000 1.154 7 K HN 0.715 nan 8.250 nan 0.000 0.425 8 F N 0.511 120.416 119.950 -0.075 0.000 2.483 8 F HA 0.371 4.898 4.527 -0.000 0.000 0.329 8 F C 1.506 177.273 175.800 -0.055 0.000 1.064 8 F CA 0.182 58.154 58.000 -0.046 0.000 0.986 8 F CB 1.440 40.424 39.000 -0.027 0.000 1.218 8 F HN 0.827 nan 8.300 nan 0.000 0.484 9 G N 1.840 110.758 108.800 0.197 0.000 2.672 9 G HA2 -0.536 3.424 3.960 -0.000 0.000 0.356 9 G HA3 -0.536 3.424 3.960 -0.000 0.000 0.356 9 G C 1.089 176.010 174.900 0.034 0.000 1.312 9 G CA 1.409 46.563 45.100 0.092 0.000 0.980 9 G HN 0.904 nan 8.290 nan 0.000 0.540 10 N N 0.137 118.850 118.700 0.022 0.000 2.104 10 N HA -0.116 4.624 4.740 -0.000 0.000 0.190 10 N C 1.810 177.308 175.510 -0.021 0.000 1.024 10 N CA 2.297 55.348 53.050 0.001 0.000 0.853 10 N CB -0.334 38.154 38.487 0.001 0.000 1.008 10 N HN 0.538 nan 8.380 nan 0.000 0.424 11 D N -0.160 120.223 120.400 -0.028 0.000 2.205 11 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 11 D C 1.836 178.060 176.300 -0.126 0.000 1.002 11 D CA 2.134 56.091 54.000 -0.071 0.000 0.848 11 D CB -0.803 39.956 40.800 -0.067 0.000 0.975 11 D HN 0.470 nan 8.370 nan 0.000 0.449 12 A N 0.234 122.970 122.820 -0.140 0.000 1.933 12 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 12 A C 2.209 179.734 177.584 -0.098 0.000 1.175 12 A CA 1.623 53.539 52.037 -0.202 0.000 0.628 12 A CB -0.409 18.487 19.000 -0.174 0.000 0.814 12 A HN 0.187 nan 8.150 nan 0.000 0.444 13 R N -0.792 119.681 120.500 -0.045 0.000 2.070 13 R HA -0.079 4.261 4.340 -0.000 0.000 0.233 13 R C 2.094 178.385 176.300 -0.016 0.000 1.137 13 R CA 1.409 57.500 56.100 -0.016 0.000 0.945 13 R CB -0.795 29.503 30.300 -0.003 0.000 0.845 13 R HN 0.366 nan 8.270 nan 0.000 0.430 14 V N 2.198 122.096 119.914 -0.026 0.000 2.250 14 V HA -0.350 3.769 4.120 -0.000 0.000 0.250 14 V C 2.346 178.430 176.094 -0.017 0.000 1.060 14 V CA 1.891 64.179 62.300 -0.020 0.000 1.030 14 V CB -0.442 31.365 31.823 -0.027 0.000 0.643 14 V HN 0.310 nan 8.190 nan 0.000 0.445 15 K N -0.616 119.760 120.400 -0.039 0.000 1.991 15 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 15 K C 2.146 178.764 176.600 0.031 0.000 1.049 15 K CA 2.046 58.328 56.287 -0.008 0.000 0.932 15 K CB -0.907 31.571 32.500 -0.036 0.000 0.717 15 K HN 0.437 nan 8.250 nan 0.000 0.441 16 M N 0.681 120.300 119.600 0.032 0.000 2.153 16 M HA -0.259 4.221 4.480 -0.000 0.000 0.253 16 M C 2.094 178.412 176.300 0.030 0.000 1.081 16 M CA 1.634 56.960 55.300 0.044 0.000 1.076 16 M CB -0.117 32.503 32.600 0.034 0.000 1.350 16 M HN 0.155 nan 8.290 nan 0.000 0.401 17 L N -0.059 121.175 121.223 0.018 0.000 2.095 17 L HA -0.070 4.270 4.340 -0.000 0.000 0.204 17 L C 2.159 179.039 176.870 0.016 0.000 1.080 17 L CA 1.619 56.468 54.840 0.015 0.000 0.759 17 L CB -0.494 41.571 42.059 0.009 0.000 0.914 17 L HN 0.182 nan 8.230 nan 0.000 0.439 18 R N -0.219 120.291 120.500 0.016 0.000 2.127 18 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 18 R C 2.203 178.516 176.300 0.020 0.000 1.134 18 R CA 1.105 57.215 56.100 0.017 0.000 0.975 18 R CB -1.021 29.290 30.300 0.018 0.000 0.865 18 R HN 0.573 nan 8.270 nan 0.000 0.447 19 G N 0.865 109.682 108.800 0.028 0.000 2.480 19 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 19 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 19 G C 1.491 176.403 174.900 0.020 0.000 1.200 19 G CA 1.050 46.167 45.100 0.028 0.000 0.782 19 G HN 0.133 nan 8.290 nan 0.000 0.554 20 V N 1.646 121.572 119.914 0.019 0.000 2.282 20 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 20 V C 2.531 178.633 176.094 0.012 0.000 1.057 20 V CA 2.390 64.699 62.300 0.015 0.000 1.032 20 V CB -1.037 30.796 31.823 0.016 0.000 0.645 20 V HN 0.457 nan 8.190 nan 0.000 0.447 21 N N -0.047 118.660 118.700 0.012 0.000 2.069 21 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 21 N C 1.734 177.249 175.510 0.008 0.000 1.031 21 N CA 1.530 54.586 53.050 0.010 0.000 0.852 21 N CB -0.351 38.142 38.487 0.009 0.000 1.018 21 N HN 0.322 nan 8.380 nan 0.000 0.423 22 V N 1.614 121.533 119.914 0.009 0.000 2.255 22 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 22 V C 2.221 178.317 176.094 0.004 0.000 1.051 22 V CA 1.286 63.590 62.300 0.006 0.000 1.018 22 V CB -0.670 31.157 31.823 0.007 0.000 0.641 22 V HN 0.380 nan 8.190 nan 0.000 0.445 23 L N 1.041 122.267 121.223 0.005 0.000 1.955 23 L HA -0.149 4.191 4.340 -0.000 0.000 0.213 23 L C 2.581 179.454 176.870 0.004 0.000 1.072 23 L CA 2.927 57.769 54.840 0.004 0.000 0.755 23 L CB -1.748 40.313 42.059 0.004 0.000 0.888 23 L HN 0.302 nan 8.230 nan 0.000 0.432 24 A N 0.109 122.932 122.820 0.006 0.000 1.884 24 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 24 A C 1.888 179.475 177.584 0.005 0.000 1.197 24 A CA 2.291 54.332 52.037 0.007 0.000 0.637 24 A CB -1.082 17.924 19.000 0.009 0.000 0.827 24 A HN 0.626 nan 8.150 nan 0.000 0.450 25 D N 0.037 120.440 120.400 0.004 0.000 2.123 25 D HA -0.072 4.568 4.640 -0.000 0.000 0.196 25 D C 2.149 178.449 176.300 0.001 0.000 0.992 25 D CA 1.629 55.630 54.000 0.003 0.000 0.833 25 D CB -0.627 40.174 40.800 0.003 0.000 0.954 25 D HN 0.485 nan 8.370 nan 0.000 0.455 26 A N 0.480 123.300 122.820 -0.000 0.000 1.978 26 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 26 A C 2.426 180.009 177.584 -0.002 0.000 1.170 26 A CA 1.331 53.367 52.037 -0.003 0.000 0.636 26 A CB -0.581 18.416 19.000 -0.005 0.000 0.810 26 A HN 0.190 nan 8.150 nan 0.000 0.448 27 V N -0.156 119.758 119.914 0.000 0.000 2.649 27 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 27 V C 2.286 178.381 176.094 0.002 0.000 1.054 27 V CA 1.836 64.136 62.300 0.001 0.000 1.073 27 V CB -0.568 31.256 31.823 0.002 0.000 0.699 27 V HN 0.499 nan 8.190 nan 0.000 0.463 28 K N 0.857 121.260 120.400 0.004 0.000 2.103 28 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 28 K C 2.100 178.703 176.600 0.004 0.000 1.048 28 K CA 1.766 58.056 56.287 0.005 0.000 0.930 28 K CB -0.611 31.892 32.500 0.005 0.000 0.716 28 K HN 0.568 nan 8.250 nan 0.000 0.444 29 V N 0.021 119.937 119.914 0.002 0.000 2.794 29 V HA -0.200 3.920 4.120 -0.000 0.000 0.260 29 V C 1.968 178.063 176.094 0.002 0.000 1.103 29 V CA 2.157 64.457 62.300 0.001 0.000 1.125 29 V CB -1.581 30.241 31.823 -0.001 0.000 0.702 29 V HN 0.388 nan 8.190 nan 0.000 0.494 30 T N -2.603 111.952 114.554 0.002 0.000 3.163 30 T HA 0.370 4.720 4.350 -0.000 0.000 0.252 30 T C 0.207 174.910 174.700 0.005 0.000 1.056 30 T CA -0.297 61.804 62.100 0.002 0.000 0.947 30 T CB -0.070 68.798 68.868 0.001 0.000 1.016 30 T HN 0.338 nan 8.240 nan 0.000 0.554 31 L N 2.458 123.685 121.223 0.007 0.000 2.305 31 L HA 0.660 5.000 4.340 -0.000 0.000 0.281 31 L C 0.745 177.621 176.870 0.011 0.000 1.085 31 L CA 1.273 56.118 54.840 0.010 0.000 0.813 31 L CB -0.004 42.062 42.059 0.012 0.000 1.157 31 L HN 0.642 nan 8.230 nan 0.000 0.436 32 G N 4.874 113.680 108.800 0.010 0.000 2.828 32 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.463 32 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.463 32 G C -2.159 172.743 174.900 0.004 0.000 1.394 32 G CA -0.277 44.828 45.100 0.009 0.000 0.862 32 G HN 0.574 nan 8.290 nan 0.000 0.540 33 P HA -0.038 nan 4.420 nan 0.000 0.216 33 P C 1.091 178.388 177.300 -0.006 0.000 1.153 33 P CA 1.490 64.585 63.100 -0.009 0.000 0.848 33 P CB 0.008 31.695 31.700 -0.021 0.000 0.787 34 K N 0.685 121.085 120.400 -0.001 0.000 2.706 34 K HA 0.178 4.498 4.320 -0.000 0.000 0.217 34 K C 1.186 177.788 176.600 0.004 0.000 1.019 34 K CA -0.312 55.976 56.287 0.002 0.000 1.181 34 K CB -0.515 31.990 32.500 0.008 0.000 0.940 34 K HN 0.126 nan 8.250 nan 0.000 0.491 35 G N 1.048 109.850 108.800 0.003 0.000 2.594 35 G HA2 0.085 4.045 3.960 -0.000 0.000 0.243 35 G HA3 0.085 4.045 3.960 -0.000 0.000 0.243 35 G C -0.136 174.765 174.900 0.001 0.000 1.229 35 G CA -0.401 44.701 45.100 0.003 0.000 0.843 35 G HN 0.257 nan 8.290 nan 0.000 0.578 36 R N -0.044 120.456 120.500 0.000 0.000 2.923 36 R HA 0.355 4.695 4.340 -0.000 0.000 0.252 36 R C -0.532 175.766 176.300 -0.003 0.000 1.130 36 R CA -1.012 55.087 56.100 -0.002 0.000 1.043 36 R CB 1.240 31.538 30.300 -0.002 0.000 1.205 36 R HN 0.477 nan 8.270 nan 0.000 0.495 37 N N -0.190 118.507 118.700 -0.005 0.000 2.477 37 N HA 0.406 5.146 4.740 -0.000 0.000 0.284 37 N C -0.846 174.659 175.510 -0.008 0.000 1.182 37 N CA -0.401 52.646 53.050 -0.006 0.000 0.949 37 N CB 1.880 40.363 38.487 -0.007 0.000 1.204 37 N HN 0.115 nan 8.380 nan 0.000 0.526 38 V N 0.585 120.493 119.914 -0.010 0.000 2.919 38 V HA 0.491 4.611 4.120 -0.000 0.000 0.316 38 V C -0.126 175.956 176.094 -0.019 0.000 1.077 38 V CA -0.812 61.480 62.300 -0.014 0.000 0.977 38 V CB 2.194 34.009 31.823 -0.013 0.000 1.039 38 V HN 0.287 nan 8.190 nan 0.000 0.441 39 V N 4.256 124.155 119.914 -0.024 0.000 2.378 39 V HA 0.479 4.599 4.120 -0.000 0.000 0.288 39 V C -0.454 175.614 176.094 -0.044 0.000 1.016 39 V CA -0.399 61.881 62.300 -0.033 0.000 0.840 39 V CB 1.346 33.149 31.823 -0.033 0.000 0.994 39 V HN 0.602 nan 8.190 nan 0.000 0.431 40 L N 3.806 124.996 121.223 -0.056 0.000 2.296 40 L HA 0.571 4.911 4.340 -0.000 0.000 0.286 40 L C 0.162 176.962 176.870 -0.116 0.000 1.023 40 L CA -0.456 54.340 54.840 -0.074 0.000 0.812 40 L CB 1.396 43.414 42.059 -0.067 0.000 1.223 40 L HN 0.505 nan 8.230 nan 0.000 0.421 41 D N 2.717 123.039 120.400 -0.130 0.000 2.414 41 D HA 0.324 4.963 4.640 -0.000 0.000 0.251 41 D C -0.643 175.473 176.300 -0.307 0.000 1.252 41 D CA -0.036 53.862 54.000 -0.170 0.000 0.999 41 D CB 0.882 41.606 40.800 -0.127 0.000 1.093 41 D HN 0.381 nan 8.370 nan 0.000 0.515 42 K N -0.426 119.735 120.400 -0.398 0.000 2.606 42 K HA 0.151 4.471 4.320 -0.000 0.000 0.259 42 K C 0.620 176.905 176.600 -0.525 0.000 1.001 42 K CA -0.277 55.503 56.287 -0.846 0.000 0.881 42 K CB 1.268 33.183 32.500 -0.975 0.000 1.288 42 K HN 0.292 nan 8.250 nan 0.000 0.452 43 S N 2.932 118.448 115.700 -0.307 0.000 2.382 43 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 43 S C 1.584 176.319 174.600 0.224 0.000 1.027 43 S CA 0.907 59.147 58.200 0.066 0.000 0.991 43 S CB -0.615 62.699 63.200 0.189 0.000 0.823 43 S HN 0.504 nan 8.310 nan 0.000 0.469 44 F N 2.872 122.820 119.950 -0.004 0.000 2.451 44 F HA 0.050 4.577 4.527 -0.000 0.000 0.311 44 F C 1.945 177.743 175.800 -0.003 0.000 1.385 44 F CA 0.457 58.455 58.000 -0.004 0.000 1.281 44 F CB -1.825 37.173 39.000 -0.004 0.000 0.869 44 F HN 0.447 nan 8.300 nan 0.000 0.620 45 G N -1.659 107.240 108.800 0.166 0.000 3.291 45 G HA2 0.603 4.563 3.960 -0.000 0.000 0.173 45 G HA3 0.603 4.563 3.960 -0.000 0.000 0.173 45 G C -0.879 174.018 174.900 -0.005 0.000 1.099 45 G CA -0.214 44.927 45.100 0.067 0.000 0.794 45 G HN 0.643 nan 8.290 nan 0.000 0.651 46 A N 0.631 123.449 122.820 -0.003 0.000 2.520 46 A HA 0.566 4.886 4.320 -0.000 0.000 0.235 46 A C -1.845 175.702 177.584 -0.062 0.000 1.065 46 A CA -0.326 51.694 52.037 -0.028 0.000 0.764 46 A CB -0.543 18.450 19.000 -0.012 0.000 1.002 46 A HN 0.357 nan 8.150 nan 0.000 0.502 47 P HA 0.232 nan 4.420 nan 0.000 0.274 47 P C -0.127 177.133 177.300 -0.067 0.000 1.264 47 P CA 0.069 63.111 63.100 -0.097 0.000 0.795 47 P CB 0.410 32.063 31.700 -0.077 0.000 1.064 48 T N 0.712 115.224 114.554 -0.069 0.000 2.812 48 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 48 T C -0.260 174.420 174.700 -0.034 0.000 0.990 48 T CA -0.318 61.756 62.100 -0.043 0.000 0.960 48 T CB 0.080 68.920 68.868 -0.047 0.000 0.948 48 T HN 0.110 nan 8.240 nan 0.000 0.438 49 I N 2.922 123.479 120.570 -0.021 0.000 2.336 49 I HA 0.566 4.736 4.170 -0.000 0.000 0.292 49 I C 0.503 176.613 176.117 -0.011 0.000 0.991 49 I CA -0.382 60.908 61.300 -0.017 0.000 1.227 49 I CB 1.798 39.790 38.000 -0.013 0.000 1.366 49 I HN 0.451 nan 8.210 nan 0.000 0.466 50 T N 4.063 118.610 114.554 -0.010 0.000 2.883 50 T HA 0.328 4.678 4.350 -0.000 0.000 0.301 50 T C 0.018 174.715 174.700 -0.005 0.000 1.158 50 T CA -0.627 61.470 62.100 -0.005 0.000 1.007 50 T CB 1.803 70.668 68.868 -0.005 0.000 1.186 50 T HN 0.701 nan 8.240 nan 0.000 0.499 51 K N 1.050 121.449 120.400 -0.002 0.000 2.373 51 K HA 0.204 4.524 4.320 -0.000 0.000 0.202 51 K C -0.476 176.124 176.600 -0.001 0.000 1.025 51 K CA -0.071 56.215 56.287 -0.001 0.000 1.115 51 K CB 0.303 32.803 32.500 0.001 0.000 0.858 51 K HN 0.550 nan 8.250 nan 0.000 0.525 52 D N -0.867 119.532 120.400 -0.002 0.000 2.392 52 D HA 0.172 4.812 4.640 -0.000 0.000 0.228 52 D C 1.095 177.392 176.300 -0.005 0.000 1.074 52 D CA -0.324 53.674 54.000 -0.003 0.000 0.838 52 D CB 1.421 42.220 40.800 -0.002 0.000 1.067 52 D HN 0.124 nan 8.370 nan 0.000 0.511 53 G N 2.484 111.281 108.800 -0.005 0.000 2.469 53 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 53 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 53 G C 1.481 176.376 174.900 -0.008 0.000 1.150 53 G CA 0.912 46.009 45.100 -0.005 0.000 0.763 53 G HN 0.521 nan 8.290 nan 0.000 0.561 54 V N 0.333 120.239 119.914 -0.013 0.000 2.759 54 V HA -0.083 4.037 4.120 -0.000 0.000 0.256 54 V C 2.749 178.836 176.094 -0.012 0.000 1.080 54 V CA 2.596 64.885 62.300 -0.018 0.000 1.101 54 V CB -0.248 31.557 31.823 -0.029 0.000 0.698 54 V HN 0.311 nan 8.190 nan 0.000 0.477 55 S N -0.384 115.311 115.700 -0.008 0.000 2.357 55 S HA -0.115 4.355 4.470 -0.000 0.000 0.221 55 S C 1.836 176.433 174.600 -0.005 0.000 1.031 55 S CA 1.573 59.771 58.200 -0.003 0.000 0.982 55 S CB -0.011 63.189 63.200 -0.001 0.000 0.853 55 S HN 0.511 nan 8.310 nan 0.000 0.458 56 V N 1.903 121.813 119.914 -0.007 0.000 2.358 56 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 56 V C 2.561 178.650 176.094 -0.007 0.000 1.047 56 V CA 1.656 63.950 62.300 -0.009 0.000 1.035 56 V CB -1.107 30.711 31.823 -0.008 0.000 0.658 56 V HN 0.512 nan 8.190 nan 0.000 0.452 57 A N 0.394 123.210 122.820 -0.007 0.000 1.845 57 A HA -0.207 4.113 4.320 -0.000 0.000 0.215 57 A C 2.273 179.854 177.584 -0.006 0.000 1.195 57 A CA 1.621 53.654 52.037 -0.006 0.000 0.616 57 A CB -0.574 18.421 19.000 -0.008 0.000 0.832 57 A HN 0.456 nan 8.150 nan 0.000 0.443 58 R N -0.048 120.449 120.500 -0.005 0.000 2.228 58 R HA -0.207 4.133 4.340 -0.000 0.000 0.264 58 R C 1.462 177.764 176.300 0.004 0.000 1.179 58 R CA 1.586 57.686 56.100 0.000 0.000 0.998 58 R CB -0.721 29.582 30.300 0.005 0.000 0.885 58 R HN 0.579 nan 8.270 nan 0.000 0.466 59 E N 0.421 120.621 120.200 0.000 0.000 2.285 59 E HA 0.026 4.376 4.350 -0.000 0.000 0.194 59 E C 0.770 177.367 176.600 -0.005 0.000 0.997 59 E CA 0.242 56.641 56.400 -0.003 0.000 0.845 59 E CB 0.073 29.764 29.700 -0.015 0.000 0.782 59 E HN 0.193 nan 8.360 nan 0.000 0.491 60 I N 2.282 122.849 120.570 -0.005 0.000 2.436 60 I HA 0.122 4.292 4.170 -0.000 0.000 0.289 60 I C 0.465 176.580 176.117 -0.003 0.000 1.083 60 I CA 0.132 61.429 61.300 -0.005 0.000 1.372 60 I CB 0.131 38.129 38.000 -0.003 0.000 1.408 60 I HN -0.036 nan 8.210 nan 0.000 0.516 61 E N 6.373 126.570 120.200 -0.004 0.000 2.292 61 E HA 0.515 4.865 4.350 -0.000 0.000 0.272 61 E C -1.815 174.783 176.600 -0.004 0.000 0.881 61 E CA -0.701 55.696 56.400 -0.005 0.000 0.754 61 E CB 2.129 31.826 29.700 -0.005 0.000 1.201 61 E HN 0.230 nan 8.360 nan 0.000 0.425 62 L N 3.074 124.294 121.223 -0.004 0.000 2.322 62 L HA 0.305 4.645 4.340 -0.000 0.000 0.269 62 L C 1.265 178.133 176.870 -0.003 0.000 1.012 62 L CA -0.030 54.810 54.840 -0.000 0.000 0.815 62 L CB 1.346 43.410 42.059 0.008 0.000 1.295 62 L HN 0.859 nan 8.230 nan 0.000 0.438 63 E N -0.024 120.176 120.200 0.002 0.000 2.170 63 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 63 E C 0.202 176.803 176.600 0.001 0.000 0.981 63 E CA 0.249 56.648 56.400 -0.001 0.000 0.830 63 E CB 0.220 29.921 29.700 0.002 0.000 0.775 63 E HN 0.629 nan 8.360 nan 0.000 0.470 64 D N 0.925 121.336 120.400 0.019 0.000 2.382 64 D HA -0.055 4.585 4.640 -0.000 0.000 0.259 64 D C 0.541 176.849 176.300 0.013 0.000 1.224 64 D CA 0.017 54.043 54.000 0.043 0.000 0.894 64 D CB 0.876 41.724 40.800 0.080 0.000 1.127 64 D HN 0.044 nan 8.370 nan 0.000 0.487 65 K N 3.463 123.827 120.400 -0.060 0.000 2.209 65 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 65 K C 1.630 178.104 176.600 -0.210 0.000 1.048 65 K CA 0.905 57.080 56.287 -0.186 0.000 0.940 65 K CB -0.133 32.163 32.500 -0.341 0.000 0.729 65 K HN 0.503 nan 8.250 nan 0.000 0.451 66 F N 1.181 121.119 119.950 -0.019 0.000 2.219 66 F HA 0.025 4.552 4.527 -0.000 0.000 0.294 66 F C 2.303 178.093 175.800 -0.016 0.000 1.086 66 F CA 0.662 58.649 58.000 -0.022 0.000 1.330 66 F CB -0.264 38.721 39.000 -0.025 0.000 1.047 66 F HN 0.042 nan 8.300 nan 0.000 0.495 67 E N 0.182 120.485 120.200 0.172 0.000 2.085 67 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 67 E C 1.812 178.446 176.600 0.056 0.000 0.994 67 E CA 1.337 57.792 56.400 0.092 0.000 0.801 67 E CB -0.296 29.444 29.700 0.067 0.000 0.743 67 E HN 0.271 nan 8.360 nan 0.000 0.453 68 N N 0.624 119.343 118.700 0.032 0.000 2.069 68 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 68 N C 1.735 177.246 175.510 0.002 0.000 1.031 68 N CA 1.433 54.486 53.050 0.004 0.000 0.852 68 N CB -0.027 38.446 38.487 -0.023 0.000 1.018 68 N HN 0.077 nan 8.380 nan 0.000 0.423 69 M N -0.545 119.056 119.600 0.002 0.000 2.149 69 M HA -0.084 4.396 4.480 -0.000 0.000 0.261 69 M C 2.187 178.501 176.300 0.024 0.000 1.064 69 M CA 1.650 56.954 55.300 0.006 0.000 1.102 69 M CB -0.737 31.872 32.600 0.014 0.000 1.369 69 M HN 0.319 nan 8.290 nan 0.000 0.408 70 G N 0.283 109.108 108.800 0.042 0.000 2.553 70 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 70 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 70 G C 1.596 176.509 174.900 0.021 0.000 1.195 70 G CA 1.362 46.483 45.100 0.035 0.000 0.779 70 G HN 0.569 nan 8.290 nan 0.000 0.577 71 A N -0.744 122.087 122.820 0.017 0.000 1.930 71 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 71 A C 2.340 179.926 177.584 0.004 0.000 1.175 71 A CA 1.772 53.815 52.037 0.010 0.000 0.627 71 A CB -0.241 18.764 19.000 0.008 0.000 0.815 71 A HN 0.334 nan 8.150 nan 0.000 0.443 72 Q N -0.876 118.924 119.800 0.001 0.000 2.436 72 Q HA 0.061 4.401 4.340 -0.000 0.000 0.209 72 Q C 1.847 177.845 176.000 -0.003 0.000 0.965 72 Q CA 0.836 56.636 55.803 -0.004 0.000 0.910 72 Q CB -0.199 28.533 28.738 -0.010 0.000 0.980 72 Q HN 0.780 nan 8.270 nan 0.000 0.491 73 M N -0.576 119.026 119.600 0.003 0.000 2.276 73 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 73 M C 2.174 178.477 176.300 0.006 0.000 1.098 73 M CA 0.898 56.201 55.300 0.005 0.000 1.167 73 M CB -0.160 32.447 32.600 0.012 0.000 1.337 73 M HN -0.000 nan 8.290 nan 0.000 0.446 74 V N -0.398 119.521 119.914 0.009 0.000 2.490 74 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 74 V C 2.140 178.235 176.094 0.003 0.000 1.061 74 V CA 1.852 64.158 62.300 0.010 0.000 1.064 74 V CB -1.413 30.417 31.823 0.013 0.000 0.670 74 V HN 0.506 nan 8.190 nan 0.000 0.461 75 K N 0.825 121.224 120.400 -0.002 0.000 2.286 75 K HA -0.285 4.035 4.320 -0.000 0.000 0.203 75 K C 2.128 178.715 176.600 -0.023 0.000 1.045 75 K CA 2.044 58.325 56.287 -0.010 0.000 0.935 75 K CB -0.155 32.340 32.500 -0.009 0.000 0.737 75 K HN 0.699 nan 8.250 nan 0.000 0.460 76 E N 0.521 120.706 120.200 -0.025 0.000 2.435 76 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 76 E C 1.757 178.316 176.600 -0.068 0.000 1.029 76 E CA 0.431 56.802 56.400 -0.048 0.000 0.865 76 E CB 0.258 29.933 29.700 -0.041 0.000 0.833 76 E HN 0.304 nan 8.360 nan 0.000 0.510 77 V N -0.177 119.720 119.914 -0.029 0.000 2.255 77 V HA -0.079 4.041 4.120 -0.000 0.000 0.243 77 V C 2.246 178.320 176.094 -0.034 0.000 1.038 77 V CA 1.821 64.116 62.300 -0.009 0.000 1.008 77 V CB -0.520 31.332 31.823 0.049 0.000 0.645 77 V HN 0.252 nan 8.190 nan 0.000 0.449 78 A N 0.224 123.033 122.820 -0.018 0.000 1.948 78 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 78 A C 2.641 180.193 177.584 -0.054 0.000 1.177 78 A CA 2.889 54.913 52.037 -0.022 0.000 0.636 78 A CB -1.205 17.787 19.000 -0.014 0.000 0.815 78 A HN 0.863 nan 8.150 nan 0.000 0.449 79 S N -1.147 114.510 115.700 -0.072 0.000 2.371 79 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 79 S C 2.172 176.686 174.600 -0.144 0.000 1.029 79 S CA 1.445 59.592 58.200 -0.089 0.000 0.978 79 S CB -0.263 62.894 63.200 -0.072 0.000 0.833 79 S HN 0.436 nan 8.310 nan 0.000 0.466 80 K N 1.345 121.602 120.400 -0.239 0.000 2.001 80 K HA 0.087 4.407 4.320 -0.000 0.000 0.208 80 K C 2.426 178.752 176.600 -0.456 0.000 1.048 80 K CA 1.233 57.253 56.287 -0.446 0.000 0.932 80 K CB -1.133 30.906 32.500 -0.768 0.000 0.715 80 K HN 0.434 nan 8.250 nan 0.000 0.437 81 A N 2.126 124.758 122.820 -0.314 0.000 1.985 81 A HA -0.277 4.043 4.320 -0.000 0.000 0.223 81 A C 1.969 179.543 177.584 -0.017 0.000 1.189 81 A CA 2.335 54.376 52.037 0.005 0.000 0.658 81 A CB -0.764 18.279 19.000 0.072 0.000 0.820 81 A HN 0.574 nan 8.150 nan 0.000 0.464 82 N N -1.295 117.358 118.700 -0.078 0.000 2.336 82 N HA -0.117 4.623 4.740 -0.000 0.000 0.177 82 N C 0.650 176.102 175.510 -0.098 0.000 1.018 82 N CA 0.998 53.996 53.050 -0.087 0.000 0.878 82 N CB -0.075 38.361 38.487 -0.085 0.000 0.997 82 N HN 0.344 nan 8.380 nan 0.000 0.433 83 D N 0.611 120.957 120.400 -0.090 0.000 2.310 83 D HA -0.025 4.615 4.640 -0.000 0.000 0.212 83 D C 1.444 177.734 176.300 -0.017 0.000 0.965 83 D CA 0.471 54.436 54.000 -0.059 0.000 0.879 83 D CB 0.118 40.876 40.800 -0.070 0.000 0.921 83 D HN 0.409 nan 8.370 nan 0.000 0.510 84 A N -0.038 122.781 122.820 -0.001 0.000 1.973 84 A HA 0.456 4.776 4.320 -0.000 0.000 0.210 84 A C 1.789 179.422 177.584 0.082 0.000 1.200 84 A CA 1.079 53.167 52.037 0.084 0.000 0.707 84 A CB 0.437 19.576 19.000 0.231 0.000 0.862 84 A HN 0.160 nan 8.150 nan 0.000 0.461 85 A N -2.240 120.606 122.820 0.044 0.000 2.704 85 A HA 0.472 4.792 4.320 -0.000 0.000 0.260 85 A C 1.392 178.948 177.584 -0.047 0.000 1.144 85 A CA 0.937 53.002 52.037 0.047 0.000 0.985 85 A CB -0.608 18.431 19.000 0.064 0.000 1.256 85 A HN 1.784 nan 8.150 nan 0.000 0.598 86 G N 0.115 108.798 108.800 -0.196 0.000 2.416 86 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.301 86 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.301 86 G C -0.154 174.633 174.900 -0.188 0.000 0.985 86 G CA 1.067 45.925 45.100 -0.403 0.000 0.934 86 G HN 0.738 nan 8.290 nan 0.000 0.513 87 D N -2.541 117.821 120.400 -0.065 0.000 2.694 87 D HA 0.500 5.140 4.640 -0.000 0.000 0.260 87 D C 0.872 177.176 176.300 0.007 0.000 1.250 87 D CA 0.854 54.844 54.000 -0.017 0.000 0.763 87 D CB 0.604 41.413 40.800 0.014 0.000 1.311 87 D HN 1.221 nan 8.370 nan 0.000 0.420 88 G N 0.370 109.178 108.800 0.013 0.000 2.176 88 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.253 88 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.253 88 G C 1.065 175.981 174.900 0.027 0.000 0.979 88 G CA 1.753 46.868 45.100 0.025 0.000 0.641 88 G HN 0.885 nan 8.290 nan 0.000 0.530 89 T N -2.137 112.426 114.554 0.015 0.000 2.759 89 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 89 T C 2.190 176.898 174.700 0.013 0.000 1.042 89 T CA 2.618 64.724 62.100 0.011 0.000 1.140 89 T CB -0.743 68.120 68.868 -0.009 0.000 0.864 89 T HN 0.366 nan 8.240 nan 0.000 0.455 90 T N 1.858 116.418 114.554 0.011 0.000 2.708 90 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 90 T C 2.245 176.956 174.700 0.017 0.000 1.037 90 T CA 1.882 63.989 62.100 0.011 0.000 1.146 90 T CB -0.941 67.933 68.868 0.009 0.000 0.865 90 T HN 0.552 nan 8.240 nan 0.000 0.435 91 T N 2.188 116.754 114.554 0.021 0.000 2.643 91 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 91 T C 2.386 177.104 174.700 0.029 0.000 1.045 91 T CA 1.314 63.429 62.100 0.024 0.000 1.155 91 T CB -0.832 68.050 68.868 0.025 0.000 0.863 91 T HN 0.424 nan 8.240 nan 0.000 0.420 92 A N 1.517 124.361 122.820 0.040 0.000 1.894 92 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 92 A C 2.543 180.151 177.584 0.041 0.000 1.237 92 A CA 2.844 54.914 52.037 0.054 0.000 0.660 92 A CB -1.677 17.373 19.000 0.083 0.000 0.835 92 A HN 0.509 nan 8.150 nan 0.000 0.461 93 T N -0.501 114.071 114.554 0.031 0.000 2.665 93 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 93 T C 1.857 176.570 174.700 0.021 0.000 1.035 93 T CA 1.716 63.829 62.100 0.023 0.000 1.151 93 T CB -0.589 68.288 68.868 0.014 0.000 0.862 93 T HN 0.202 nan 8.240 nan 0.000 0.438 94 V N 1.246 121.172 119.914 0.019 0.000 2.287 94 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 94 V C 2.477 178.582 176.094 0.019 0.000 1.053 94 V CA 1.599 63.909 62.300 0.017 0.000 1.027 94 V CB -0.621 31.212 31.823 0.016 0.000 0.646 94 V HN 0.444 nan 8.190 nan 0.000 0.447 95 L N -0.353 120.883 121.223 0.023 0.000 2.141 95 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 95 L C 2.631 179.514 176.870 0.023 0.000 1.094 95 L CA 1.381 56.235 54.840 0.022 0.000 0.763 95 L CB -0.640 41.434 42.059 0.024 0.000 0.908 95 L HN 0.371 nan 8.230 nan 0.000 0.437 96 A N 0.203 123.039 122.820 0.027 0.000 1.872 96 A HA -0.260 4.060 4.320 -0.000 0.000 0.214 96 A C 2.196 179.793 177.584 0.021 0.000 1.187 96 A CA 1.505 53.558 52.037 0.027 0.000 0.614 96 A CB -0.613 18.407 19.000 0.032 0.000 0.826 96 A HN 0.509 nan 8.150 nan 0.000 0.442 97 Q N 0.087 119.898 119.800 0.019 0.000 2.248 97 Q HA -0.089 4.251 4.340 -0.000 0.000 0.208 97 Q C 1.751 177.759 176.000 0.014 0.000 0.984 97 Q CA 2.400 58.212 55.803 0.015 0.000 0.875 97 Q CB -0.452 28.294 28.738 0.013 0.000 0.910 97 Q HN 0.514 nan 8.270 nan 0.000 0.433 98 A N 0.697 123.526 122.820 0.014 0.000 1.878 98 A HA 0.036 4.356 4.320 -0.000 0.000 0.213 98 A C 2.120 179.712 177.584 0.012 0.000 1.192 98 A CA 1.031 53.075 52.037 0.012 0.000 0.619 98 A CB -0.500 18.508 19.000 0.012 0.000 0.837 98 A HN 0.441 nan 8.150 nan 0.000 0.446 99 I N -0.003 120.576 120.570 0.015 0.000 2.163 99 I HA -0.294 3.875 4.170 -0.000 0.000 0.243 99 I C 2.337 178.463 176.117 0.014 0.000 1.085 99 I CA 1.529 62.838 61.300 0.014 0.000 1.347 99 I CB -0.499 37.511 38.000 0.017 0.000 1.044 99 I HN 0.302 nan 8.210 nan 0.000 0.408 100 I N 0.373 120.953 120.570 0.015 0.000 2.127 100 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 100 I C 2.639 178.764 176.117 0.012 0.000 1.075 100 I CA 1.741 63.050 61.300 0.015 0.000 1.334 100 I CB -0.718 37.291 38.000 0.016 0.000 1.040 100 I HN 0.227 nan 8.210 nan 0.000 0.405 101 T N 0.078 114.639 114.554 0.011 0.000 2.635 101 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 101 T C 1.897 176.602 174.700 0.008 0.000 1.040 101 T CA 1.477 63.582 62.100 0.009 0.000 1.156 101 T CB -0.190 68.683 68.868 0.008 0.000 0.863 101 T HN 0.254 nan 8.240 nan 0.000 0.430 102 E N 0.487 120.692 120.200 0.008 0.000 2.047 102 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 102 E C 2.520 179.124 176.600 0.008 0.000 0.987 102 E CA 1.192 57.596 56.400 0.007 0.000 0.799 102 E CB -0.984 28.721 29.700 0.007 0.000 0.752 102 E HN 0.537 nan 8.360 nan 0.000 0.449 103 G N 1.305 110.111 108.800 0.009 0.000 2.459 103 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 103 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 103 G C 1.739 176.644 174.900 0.009 0.000 1.183 103 G CA 0.788 45.894 45.100 0.010 0.000 0.776 103 G HN 0.220 nan 8.290 nan 0.000 0.552 104 L N 0.162 121.390 121.223 0.010 0.000 2.127 104 L HA -0.097 4.242 4.340 -0.000 0.000 0.211 104 L C 2.815 179.689 176.870 0.007 0.000 1.089 104 L CA 1.529 56.374 54.840 0.009 0.000 0.757 104 L CB -0.347 41.717 42.059 0.009 0.000 0.899 104 L HN 0.259 nan 8.230 nan 0.000 0.434 105 K N 0.315 120.719 120.400 0.006 0.000 2.147 105 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 105 K C 1.994 178.596 176.600 0.005 0.000 1.049 105 K CA 1.233 57.523 56.287 0.005 0.000 0.936 105 K CB 0.007 32.510 32.500 0.004 0.000 0.722 105 K HN 0.295 nan 8.250 nan 0.000 0.446 106 A N 0.033 122.857 122.820 0.006 0.000 2.072 106 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 106 A C 1.956 179.544 177.584 0.006 0.000 1.156 106 A CA 0.528 52.568 52.037 0.005 0.000 0.701 106 A CB 0.034 19.037 19.000 0.006 0.000 0.816 106 A HN 0.130 nan 8.150 nan 0.000 0.458 107 V N -0.170 119.749 119.914 0.007 0.000 2.453 107 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 107 V C 2.947 179.045 176.094 0.007 0.000 1.048 107 V CA 1.630 63.935 62.300 0.008 0.000 1.049 107 V CB -0.963 30.867 31.823 0.011 0.000 0.672 107 V HN 0.557 nan 8.190 nan 0.000 0.457 108 A N 0.172 122.995 122.820 0.005 0.000 2.070 108 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 108 A C 2.308 179.893 177.584 0.003 0.000 1.159 108 A CA 1.671 53.710 52.037 0.004 0.000 0.656 108 A CB -0.517 18.485 19.000 0.003 0.000 0.800 108 A HN 0.560 nan 8.150 nan 0.000 0.453 109 A N -1.756 121.066 122.820 0.003 0.000 2.168 109 A HA 0.363 4.683 4.320 -0.000 0.000 0.215 109 A C 1.851 179.436 177.584 0.002 0.000 1.152 109 A CA 1.414 53.452 52.037 0.002 0.000 0.716 109 A CB -0.784 18.218 19.000 0.002 0.000 0.794 109 A HN 1.866 nan 8.150 nan 0.000 0.465 110 G N -2.037 106.765 108.800 0.003 0.000 2.144 110 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 110 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 110 G C 0.139 175.041 174.900 0.003 0.000 0.988 110 G CA 0.148 45.250 45.100 0.003 0.000 0.659 110 G HN 0.377 nan 8.290 nan 0.000 0.522 111 M N 0.523 120.126 119.600 0.004 0.000 2.240 111 M HA 0.247 4.727 4.480 -0.000 0.000 0.333 111 M C 0.788 177.092 176.300 0.007 0.000 1.110 111 M CA -0.341 54.962 55.300 0.005 0.000 1.173 111 M CB 0.343 32.946 32.600 0.005 0.000 1.458 111 M HN 0.232 nan 8.290 nan 0.000 0.458 112 N N 2.747 121.451 118.700 0.007 0.000 2.401 112 N HA 0.195 4.935 4.740 -0.000 0.000 0.255 112 N C -2.237 173.279 175.510 0.010 0.000 1.110 112 N CA -1.987 51.068 53.050 0.008 0.000 0.949 112 N CB 0.843 39.334 38.487 0.007 0.000 1.110 112 N HN 0.188 nan 8.380 nan 0.000 0.490 113 P HA -0.152 nan 4.420 nan 0.000 0.216 113 P C 1.581 178.889 177.300 0.013 0.000 1.150 113 P CA 1.146 64.254 63.100 0.014 0.000 0.837 113 P CB 0.136 31.846 31.700 0.017 0.000 0.786 114 M N -0.492 119.116 119.600 0.014 0.000 2.202 114 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 114 M C 1.226 177.533 176.300 0.011 0.000 1.063 114 M CA 1.625 56.933 55.300 0.013 0.000 1.097 114 M CB -1.448 31.160 32.600 0.013 0.000 1.382 114 M HN -0.041 nan 8.290 nan 0.000 0.413 115 D N -0.183 120.223 120.400 0.010 0.000 2.234 115 D HA 0.004 4.644 4.640 -0.000 0.000 0.205 115 D C 2.206 178.511 176.300 0.008 0.000 0.962 115 D CA 0.573 54.578 54.000 0.008 0.000 0.855 115 D CB 0.044 40.848 40.800 0.007 0.000 0.951 115 D HN 0.315 nan 8.370 nan 0.000 0.500 116 L N 0.785 122.014 121.223 0.009 0.000 2.046 116 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 116 L C 2.500 179.376 176.870 0.009 0.000 1.077 116 L CA 1.187 56.032 54.840 0.009 0.000 0.747 116 L CB -0.300 41.765 42.059 0.010 0.000 0.896 116 L HN 0.017 nan 8.230 nan 0.000 0.432 117 K N 0.275 120.682 120.400 0.011 0.000 2.009 117 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 117 K C 2.278 178.884 176.600 0.009 0.000 1.049 117 K CA 1.391 57.685 56.287 0.011 0.000 0.929 117 K CB -0.034 32.474 32.500 0.014 0.000 0.714 117 K HN 0.170 nan 8.250 nan 0.000 0.440 118 R N -0.271 120.235 120.500 0.009 0.000 2.103 118 R HA -0.129 4.211 4.340 -0.000 0.000 0.242 118 R C 2.499 178.802 176.300 0.005 0.000 1.142 118 R CA 1.529 57.633 56.100 0.007 0.000 0.960 118 R CB -0.756 29.548 30.300 0.006 0.000 0.858 118 R HN 0.454 nan 8.270 nan 0.000 0.439 119 G N 1.511 110.314 108.800 0.005 0.000 2.421 119 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 119 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 119 G C 1.515 176.418 174.900 0.004 0.000 1.171 119 G CA 0.601 45.703 45.100 0.004 0.000 0.775 119 G HN 0.156 nan 8.290 nan 0.000 0.543 120 I N 1.193 121.766 120.570 0.006 0.000 2.194 120 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 120 I C 2.324 178.443 176.117 0.003 0.000 1.093 120 I CA 1.591 62.895 61.300 0.005 0.000 1.355 120 I CB -0.082 37.923 38.000 0.008 0.000 1.046 120 I HN 0.093 nan 8.210 nan 0.000 0.413 121 D N 0.279 120.681 120.400 0.004 0.000 2.123 121 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 121 D C 2.061 178.359 176.300 -0.002 0.000 0.976 121 D CA 0.977 54.977 54.000 0.001 0.000 0.831 121 D CB -0.232 40.570 40.800 0.002 0.000 0.974 121 D HN 0.297 nan 8.370 nan 0.000 0.469 122 K N 1.209 121.609 120.400 -0.000 0.000 2.020 122 K HA -0.201 4.119 4.320 -0.000 0.000 0.212 122 K C 2.104 178.703 176.600 -0.002 0.000 1.050 122 K CA 1.666 57.953 56.287 -0.001 0.000 0.929 122 K CB -0.143 32.357 32.500 0.000 0.000 0.714 122 K HN -0.003 nan 8.250 nan 0.000 0.443 123 A N 0.657 123.476 122.820 -0.001 0.000 1.884 123 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 123 A C 2.312 179.893 177.584 -0.004 0.000 1.197 123 A CA 2.298 54.335 52.037 -0.001 0.000 0.637 123 A CB -1.026 17.975 19.000 0.001 0.000 0.827 123 A HN 0.229 nan 8.150 nan 0.000 0.450 124 V N -0.304 119.606 119.914 -0.007 0.000 2.295 124 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 124 V C 2.721 178.805 176.094 -0.018 0.000 1.049 124 V CA 2.479 64.771 62.300 -0.013 0.000 1.024 124 V CB -1.387 30.426 31.823 -0.017 0.000 0.648 124 V HN 0.655 nan 8.190 nan 0.000 0.447 125 T N 0.421 114.966 114.554 -0.015 0.000 2.803 125 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 125 T C 1.939 176.631 174.700 -0.013 0.000 1.052 125 T CA 1.571 63.661 62.100 -0.016 0.000 1.136 125 T CB -0.366 68.495 68.868 -0.012 0.000 0.864 125 T HN 0.585 nan 8.240 nan 0.000 0.467 126 A N 1.126 123.940 122.820 -0.009 0.000 1.930 126 A HA 0.427 4.747 4.320 -0.000 0.000 0.215 126 A C 2.636 180.216 177.584 -0.007 0.000 1.176 126 A CA 1.271 53.304 52.037 -0.007 0.000 0.632 126 A CB -0.909 18.088 19.000 -0.004 0.000 0.819 126 A HN 0.483 nan 8.150 nan 0.000 0.445 127 A N -0.442 122.373 122.820 -0.009 0.000 1.930 127 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 127 A C 2.166 179.742 177.584 -0.012 0.000 1.175 127 A CA 1.706 53.738 52.037 -0.008 0.000 0.627 127 A CB -0.786 18.209 19.000 -0.009 0.000 0.815 127 A HN 0.341 nan 8.150 nan 0.000 0.443 128 V N -0.085 119.817 119.914 -0.019 0.000 2.427 128 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 128 V C 2.602 178.687 176.094 -0.016 0.000 1.051 128 V CA 2.147 64.432 62.300 -0.024 0.000 1.048 128 V CB -0.649 31.152 31.823 -0.035 0.000 0.666 128 V HN 0.464 nan 8.190 nan 0.000 0.456 129 E N 0.025 120.218 120.200 -0.012 0.000 2.058 129 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 129 E C 2.307 178.904 176.600 -0.005 0.000 0.997 129 E CA 1.056 57.451 56.400 -0.008 0.000 0.801 129 E CB -0.359 29.338 29.700 -0.006 0.000 0.746 129 E HN 0.489 nan 8.360 nan 0.000 0.450 130 E N 0.403 120.601 120.200 -0.003 0.000 2.049 130 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 130 E C 2.393 178.994 176.600 0.001 0.000 1.007 130 E CA 0.821 57.221 56.400 0.000 0.000 0.809 130 E CB -0.550 29.151 29.700 0.001 0.000 0.749 130 E HN 0.279 nan 8.360 nan 0.000 0.450 131 L N 0.756 121.979 121.223 -0.002 0.000 2.013 131 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 131 L C 2.463 179.333 176.870 -0.000 0.000 1.073 131 L CA 1.536 56.376 54.840 -0.001 0.000 0.753 131 L CB -0.407 41.649 42.059 -0.005 0.000 0.890 131 L HN 0.088 nan 8.230 nan 0.000 0.432 132 K N -0.279 120.119 120.400 -0.003 0.000 2.280 132 K HA -0.129 4.191 4.320 -0.000 0.000 0.202 132 K C 2.091 178.692 176.600 0.001 0.000 1.047 132 K CA 1.135 57.422 56.287 -0.002 0.000 0.942 132 K CB -0.172 32.326 32.500 -0.004 0.000 0.739 132 K HN 0.342 nan 8.250 nan 0.000 0.457 133 A N 0.782 123.604 122.820 0.002 0.000 1.930 133 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 133 A C 1.936 179.523 177.584 0.006 0.000 1.176 133 A CA 0.825 52.864 52.037 0.004 0.000 0.632 133 A CB -0.179 18.824 19.000 0.003 0.000 0.819 133 A HN 0.096 nan 8.150 nan 0.000 0.445 134 L N -0.076 121.152 121.223 0.008 0.000 2.291 134 L HA 0.088 4.428 4.340 -0.000 0.000 0.214 134 L C 1.472 178.349 176.870 0.011 0.000 1.120 134 L CA 0.788 55.635 54.840 0.011 0.000 0.799 134 L CB -0.444 41.623 42.059 0.014 0.000 0.925 134 L HN 0.247 nan 8.230 nan 0.000 0.446 135 S N -0.382 115.323 115.700 0.009 0.000 2.544 135 S HA 0.267 4.737 4.470 -0.000 0.000 0.290 135 S C -0.220 174.386 174.600 0.009 0.000 1.276 135 S CA -0.435 57.770 58.200 0.009 0.000 1.075 135 S CB 0.097 63.301 63.200 0.007 0.000 0.849 135 S HN 0.113 nan 8.310 nan 0.000 0.494 136 V N 4.048 123.968 119.914 0.010 0.000 2.715 136 V HA 0.735 4.855 4.120 -0.000 0.000 0.310 136 V C -2.725 173.374 176.094 0.009 0.000 1.054 136 V CA -2.786 59.520 62.300 0.009 0.000 0.928 136 V CB 0.994 32.824 31.823 0.010 0.000 1.007 136 V HN 0.609 nan 8.190 nan 0.000 0.437 137 P HA 0.215 nan 4.420 nan 0.000 0.269 137 P C -0.586 176.718 177.300 0.008 0.000 1.209 137 P CA -0.087 63.017 63.100 0.007 0.000 0.776 137 P CB 0.443 32.147 31.700 0.006 0.000 0.876 138 C N 3.083 122.388 119.300 0.008 0.000 2.264 138 C HA 0.576 5.036 4.460 -0.000 0.000 0.322 138 C C 1.154 176.148 174.990 0.006 0.000 1.210 138 C CA 0.491 59.514 59.018 0.008 0.000 1.539 138 C CB -1.084 26.661 27.740 0.009 0.000 2.167 138 C HN 0.679 nan 8.230 nan 0.000 0.463 139 S N 2.115 117.818 115.700 0.005 0.000 2.744 139 S HA 0.195 4.665 4.470 -0.000 0.000 0.265 139 S C -0.229 174.372 174.600 0.003 0.000 1.065 139 S CA 0.045 58.247 58.200 0.004 0.000 1.191 139 S CB -0.300 62.902 63.200 0.003 0.000 1.150 139 S HN 0.859 nan 8.310 nan 0.000 0.646 140 D N 1.250 121.651 120.400 0.003 0.000 2.348 140 D HA 0.510 5.150 4.640 -0.000 0.000 0.249 140 D C 0.980 177.281 176.300 0.002 0.000 1.110 140 D CA -0.485 53.517 54.000 0.002 0.000 0.967 140 D CB 0.804 41.605 40.800 0.003 0.000 1.139 140 D HN -0.067 nan 8.370 nan 0.000 0.466 141 S N -0.445 115.256 115.700 0.001 0.000 2.382 141 S HA -0.198 4.272 4.470 -0.000 0.000 0.228 141 S C 1.567 176.168 174.600 0.001 0.000 1.027 141 S CA 1.326 59.526 58.200 0.001 0.000 0.991 141 S CB -0.362 62.838 63.200 -0.000 0.000 0.823 141 S HN 0.645 nan 8.310 nan 0.000 0.469 142 K N 1.077 121.478 120.400 0.001 0.000 2.057 142 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 142 K C 2.114 178.716 176.600 0.002 0.000 1.049 142 K CA 1.292 57.580 56.287 0.001 0.000 0.931 142 K CB -0.359 32.142 32.500 0.001 0.000 0.714 142 K HN 0.289 nan 8.250 nan 0.000 0.440 143 A N 1.667 124.489 122.820 0.003 0.000 1.873 143 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 143 A C 2.112 179.699 177.584 0.005 0.000 1.186 143 A CA 1.339 53.379 52.037 0.004 0.000 0.616 143 A CB -0.601 18.403 19.000 0.006 0.000 0.823 143 A HN 0.350 nan 8.150 nan 0.000 0.442 144 I N -0.001 120.572 120.570 0.005 0.000 2.143 144 I HA -0.403 3.767 4.170 -0.000 0.000 0.245 144 I C 2.954 179.074 176.117 0.005 0.000 1.068 144 I CA 1.587 62.890 61.300 0.005 0.000 1.326 144 I CB -0.580 37.422 38.000 0.003 0.000 1.028 144 I HN 0.409 nan 8.210 nan 0.000 0.412 145 A N -0.005 122.817 122.820 0.003 0.000 1.933 145 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 145 A C 2.209 179.794 177.584 0.002 0.000 1.175 145 A CA 1.546 53.584 52.037 0.002 0.000 0.628 145 A CB -0.580 18.420 19.000 0.000 0.000 0.814 145 A HN 0.516 nan 8.150 nan 0.000 0.444 146 Q N -0.546 119.255 119.800 0.002 0.000 2.124 146 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 146 Q C 2.255 178.257 176.000 0.004 0.000 0.977 146 Q CA 1.822 57.626 55.803 0.002 0.000 0.850 146 Q CB -0.502 28.236 28.738 0.001 0.000 0.901 146 Q HN 0.734 nan 8.270 nan 0.000 0.429 147 V N -1.083 118.835 119.914 0.008 0.000 2.323 147 V HA -0.055 4.065 4.120 -0.000 0.000 0.244 147 V C 1.937 178.039 176.094 0.014 0.000 1.041 147 V CA 2.137 64.445 62.300 0.012 0.000 1.025 147 V CB -1.324 30.508 31.823 0.016 0.000 0.656 147 V HN 0.342 nan 8.190 nan 0.000 0.451 148 G N 0.331 109.139 108.800 0.013 0.000 2.672 148 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.218 148 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.218 148 G C 1.622 176.529 174.900 0.011 0.000 1.238 148 G CA 2.278 47.386 45.100 0.014 0.000 0.791 148 G HN 0.522 nan 8.290 nan 0.000 0.606 149 T N 0.789 115.347 114.554 0.006 0.000 2.685 149 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 149 T C 2.347 177.048 174.700 0.002 0.000 1.034 149 T CA 1.445 63.547 62.100 0.003 0.000 1.149 149 T CB -0.181 68.686 68.868 -0.002 0.000 0.860 149 T HN 0.175 nan 8.240 nan 0.000 0.449 150 I N 0.381 120.953 120.570 0.003 0.000 2.353 150 I HA -0.068 4.102 4.170 -0.000 0.000 0.248 150 I C 2.608 178.729 176.117 0.007 0.000 1.119 150 I CA 0.783 62.084 61.300 0.001 0.000 1.417 150 I CB -0.326 37.674 38.000 0.001 0.000 1.078 150 I HN 0.119 nan 8.210 nan 0.000 0.421 151 S N 0.488 116.196 115.700 0.013 0.000 2.374 151 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 151 S C 1.775 176.386 174.600 0.018 0.000 1.037 151 S CA 1.244 59.456 58.200 0.020 0.000 1.024 151 S CB -0.398 62.821 63.200 0.030 0.000 0.861 151 S HN 0.473 nan 8.310 nan 0.000 0.456 152 A N 1.137 123.965 122.820 0.015 0.000 2.840 152 A HA 0.340 4.660 4.320 -0.000 0.000 0.269 152 A C 0.655 178.243 177.584 0.007 0.000 1.439 152 A CA 0.162 52.207 52.037 0.013 0.000 1.083 152 A CB -1.491 17.516 19.000 0.012 0.000 1.019 152 A HN 0.785 nan 8.150 nan 0.000 0.607 153 N N 0.137 118.840 118.700 0.005 0.000 2.686 153 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 153 N C -0.100 175.408 175.510 -0.005 0.000 1.082 153 N CA 0.578 53.627 53.050 0.000 0.000 0.725 153 N CB -0.577 37.910 38.487 0.000 0.000 1.009 153 N HN 0.524 nan 8.380 nan 0.000 0.545 154 S N -1.098 114.598 115.700 -0.005 0.000 3.619 154 S HA -0.142 4.328 4.470 -0.000 0.000 0.287 154 S C -0.807 173.789 174.600 -0.008 0.000 1.222 154 S CA 0.460 58.654 58.200 -0.010 0.000 0.821 154 S CB -0.883 62.307 63.200 -0.017 0.000 0.985 154 S HN 0.581 nan 8.310 nan 0.000 0.611 155 D N 1.574 121.972 120.400 -0.003 0.000 2.485 155 D HA 0.284 4.924 4.640 -0.000 0.000 0.221 155 D C 1.194 177.493 176.300 -0.002 0.000 1.112 155 D CA -0.332 53.667 54.000 -0.002 0.000 0.911 155 D CB 0.477 41.277 40.800 0.001 0.000 1.019 155 D HN 0.418 nan 8.370 nan 0.000 0.516 156 E N 0.728 120.926 120.200 -0.004 0.000 2.219 156 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 156 E C 1.154 177.752 176.600 -0.002 0.000 0.998 156 E CA 1.236 57.633 56.400 -0.004 0.000 0.818 156 E CB 0.341 30.037 29.700 -0.006 0.000 0.741 156 E HN 0.466 nan 8.360 nan 0.000 0.477 157 T N 0.193 114.746 114.554 -0.002 0.000 2.896 157 T HA -0.052 4.298 4.350 -0.000 0.000 0.263 157 T C 2.174 176.874 174.700 0.001 0.000 1.050 157 T CA 0.683 62.783 62.100 -0.001 0.000 1.140 157 T CB -0.085 68.783 68.868 -0.001 0.000 0.877 157 T HN -0.018 nan 8.240 nan 0.000 0.457 158 V N 1.947 121.862 119.914 0.002 0.000 2.270 158 V HA -0.062 4.058 4.120 -0.000 0.000 0.245 158 V C 2.961 179.057 176.094 0.004 0.000 1.043 158 V CA 1.947 64.250 62.300 0.004 0.000 1.014 158 V CB -1.595 30.233 31.823 0.007 0.000 0.645 158 V HN 0.560 nan 8.190 nan 0.000 0.447 159 G N -0.185 108.616 108.800 0.003 0.000 2.529 159 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.219 159 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.219 159 G C 1.666 176.567 174.900 0.001 0.000 1.177 159 G CA 1.384 46.486 45.100 0.003 0.000 0.773 159 G HN 0.466 nan 8.290 nan 0.000 0.573 160 K N -0.472 119.928 120.400 -0.000 0.000 2.063 160 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 160 K C 2.524 179.123 176.600 -0.001 0.000 1.048 160 K CA 1.104 57.390 56.287 -0.001 0.000 0.928 160 K CB -0.258 32.242 32.500 -0.001 0.000 0.713 160 K HN 0.268 nan 8.250 nan 0.000 0.442 161 L N 1.393 122.616 121.223 -0.001 0.000 2.056 161 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 161 L C 2.120 178.988 176.870 -0.003 0.000 1.078 161 L CA 1.285 56.124 54.840 -0.002 0.000 0.749 161 L CB -0.293 41.766 42.059 -0.001 0.000 0.901 161 L HN 0.195 nan 8.230 nan 0.000 0.433 162 I N -1.048 119.520 120.570 -0.002 0.000 2.142 162 I HA -0.353 3.817 4.170 -0.000 0.000 0.240 162 I C 2.578 178.692 176.117 -0.005 0.000 1.078 162 I CA 1.331 62.629 61.300 -0.004 0.000 1.343 162 I CB -0.564 37.435 38.000 -0.002 0.000 1.046 162 I HN 0.285 nan 8.210 nan 0.000 0.405 163 A N 0.103 122.921 122.820 -0.002 0.000 1.892 163 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 163 A C 2.270 179.852 177.584 -0.003 0.000 1.188 163 A CA 2.067 54.103 52.037 -0.002 0.000 0.631 163 A CB -0.763 18.236 19.000 -0.001 0.000 0.822 163 A HN 0.469 nan 8.150 nan 0.000 0.447 164 E N -0.701 119.498 120.200 -0.003 0.000 2.085 164 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 164 E C 2.392 178.990 176.600 -0.005 0.000 0.994 164 E CA 1.039 57.437 56.400 -0.003 0.000 0.801 164 E CB -0.252 29.446 29.700 -0.003 0.000 0.743 164 E HN 0.619 nan 8.360 nan 0.000 0.453 165 A N 1.280 124.096 122.820 -0.006 0.000 1.855 165 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 165 A C 2.185 179.764 177.584 -0.009 0.000 1.191 165 A CA 1.367 53.399 52.037 -0.008 0.000 0.613 165 A CB -0.535 18.459 19.000 -0.010 0.000 0.829 165 A HN 0.166 nan 8.150 nan 0.000 0.442 166 M N -0.629 118.965 119.600 -0.009 0.000 2.192 166 M HA -0.255 4.225 4.480 -0.000 0.000 0.256 166 M C 1.750 178.046 176.300 -0.007 0.000 1.076 166 M CA 2.231 57.526 55.300 -0.009 0.000 1.075 166 M CB -0.819 31.776 32.600 -0.008 0.000 1.368 166 M HN 0.526 nan 8.290 nan 0.000 0.406 167 D N 0.070 120.467 120.400 -0.006 0.000 2.137 167 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 167 D C 1.846 178.143 176.300 -0.005 0.000 0.970 167 D CA 1.269 55.267 54.000 -0.004 0.000 0.837 167 D CB 0.254 41.052 40.800 -0.003 0.000 0.981 167 D HN 0.217 nan 8.370 nan 0.000 0.475 168 K N -0.420 119.977 120.400 -0.005 0.000 2.067 168 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 168 K C 2.036 178.633 176.600 -0.005 0.000 1.048 168 K CA 1.003 57.287 56.287 -0.005 0.000 0.954 168 K CB 0.035 32.533 32.500 -0.004 0.000 0.737 168 K HN 0.104 nan 8.250 nan 0.000 0.444 169 V N -1.538 118.372 119.914 -0.006 0.000 3.078 169 V HA 0.135 4.255 4.120 -0.000 0.000 0.265 169 V C 1.010 177.099 176.094 -0.007 0.000 1.122 169 V CA 0.745 63.041 62.300 -0.007 0.000 1.141 169 V CB -1.495 30.323 31.823 -0.009 0.000 0.735 169 V HN 0.440 nan 8.190 nan 0.000 0.498 170 G N 1.053 109.849 108.800 -0.007 0.000 2.542 170 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.235 170 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.235 170 G C 0.296 175.191 174.900 -0.008 0.000 1.286 170 G CA 0.318 45.414 45.100 -0.006 0.000 0.904 170 G HN 0.423 nan 8.290 nan 0.000 0.577 171 K N 0.690 121.086 120.400 -0.007 0.000 2.323 171 K HA 0.167 4.487 4.320 -0.000 0.000 0.197 171 K C 1.280 177.874 176.600 -0.010 0.000 1.043 171 K CA 1.175 57.457 56.287 -0.008 0.000 0.997 171 K CB 0.319 32.815 32.500 -0.006 0.000 0.807 171 K HN 0.547 nan 8.250 nan 0.000 0.497 172 E N 0.986 121.180 120.200 -0.010 0.000 2.569 172 E HA 0.113 4.463 4.350 -0.000 0.000 0.205 172 E C 0.176 176.768 176.600 -0.014 0.000 1.006 172 E CA -0.267 56.126 56.400 -0.012 0.000 0.985 172 E CB 1.238 30.931 29.700 -0.011 0.000 1.060 172 E HN 0.148 nan 8.360 nan 0.000 0.460 173 G N 1.028 109.819 108.800 -0.013 0.000 2.389 173 G HA2 0.433 4.393 3.960 -0.000 0.000 0.328 173 G HA3 0.433 4.393 3.960 -0.000 0.000 0.328 173 G C 0.113 175.002 174.900 -0.018 0.000 1.133 173 G CA -0.461 44.631 45.100 -0.014 0.000 0.891 173 G HN -0.020 nan 8.290 nan 0.000 0.485 174 V N 0.873 120.776 119.914 -0.018 0.000 2.686 174 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 174 V C 0.086 176.165 176.094 -0.024 0.000 1.057 174 V CA -0.568 61.718 62.300 -0.024 0.000 1.012 174 V CB 1.181 32.991 31.823 -0.021 0.000 1.006 174 V HN 0.552 nan 8.190 nan 0.000 0.477 175 I N 3.058 123.608 120.570 -0.034 0.000 2.466 175 I HA 0.547 4.717 4.170 -0.000 0.000 0.289 175 I C 0.005 176.100 176.117 -0.037 0.000 1.026 175 I CA -0.157 61.123 61.300 -0.032 0.000 1.078 175 I CB 2.260 40.238 38.000 -0.036 0.000 1.249 175 I HN 0.827 nan 8.210 nan 0.000 0.429 176 T N 2.922 117.462 114.554 -0.023 0.000 2.908 176 T HA 0.693 5.043 4.350 -0.000 0.000 0.290 176 T C -0.484 174.211 174.700 -0.008 0.000 1.034 176 T CA -0.894 61.197 62.100 -0.016 0.000 1.010 176 T CB 2.193 71.058 68.868 -0.005 0.000 1.068 176 T HN 0.389 nan 8.240 nan 0.000 0.481 177 V N 0.862 120.776 119.914 -0.002 0.000 2.513 177 V HA 0.874 4.994 4.120 -0.000 0.000 0.299 177 V C -0.845 175.256 176.094 0.012 0.000 1.035 177 V CA -0.663 61.641 62.300 0.006 0.000 0.889 177 V CB 1.076 32.906 31.823 0.010 0.000 0.988 177 V HN 1.192 nan 8.190 nan 0.000 0.440 178 E N 2.710 122.916 120.200 0.011 0.000 2.433 178 E HA 0.495 4.845 4.350 -0.000 0.000 0.278 178 E C -1.677 174.929 176.600 0.011 0.000 0.976 178 E CA -1.095 55.313 56.400 0.012 0.000 0.793 178 E CB 1.304 31.010 29.700 0.010 0.000 1.311 178 E HN 0.553 nan 8.360 nan 0.000 0.460 179 D N 0.740 121.147 120.400 0.011 0.000 2.472 179 D HA 0.249 4.889 4.640 -0.000 0.000 0.237 179 D C 0.199 176.503 176.300 0.007 0.000 1.141 179 D CA 0.599 54.605 54.000 0.010 0.000 0.875 179 D CB 0.967 41.773 40.800 0.011 0.000 1.192 179 D HN 0.563 nan 8.370 nan 0.000 0.450 180 G N -0.176 108.628 108.800 0.006 0.000 2.511 180 G HA2 0.385 4.345 3.960 -0.000 0.000 0.316 180 G HA3 0.385 4.345 3.960 -0.000 0.000 0.316 180 G C 0.996 175.898 174.900 0.003 0.000 1.210 180 G CA -0.206 44.897 45.100 0.004 0.000 0.969 180 G HN 0.429 nan 8.290 nan 0.000 0.492 181 T N -1.755 112.800 114.554 0.002 0.000 2.866 181 T HA 0.248 4.598 4.350 -0.000 0.000 0.250 181 T C 1.548 176.249 174.700 0.002 0.000 1.033 181 T CA 0.938 63.039 62.100 0.001 0.000 1.145 181 T CB -0.361 68.507 68.868 0.000 0.000 0.866 181 T HN 0.718 nan 8.240 nan 0.000 0.434 182 G N 0.558 109.359 108.800 0.001 0.000 2.630 182 G HA2 0.549 4.509 3.960 -0.000 0.000 0.223 182 G HA3 0.549 4.509 3.960 -0.000 0.000 0.223 182 G C 0.499 175.400 174.900 0.002 0.000 1.434 182 G CA -0.578 44.523 45.100 0.001 0.000 1.057 182 G HN 0.299 nan 8.290 nan 0.000 0.570 183 L N -0.519 120.705 121.223 0.001 0.000 2.463 183 L HA 0.155 4.495 4.340 -0.000 0.000 0.219 183 L C 0.460 177.331 176.870 0.001 0.000 1.088 183 L CA 0.455 55.295 54.840 0.001 0.000 0.849 183 L CB -0.227 41.832 42.059 0.001 0.000 1.012 183 L HN 0.420 nan 8.230 nan 0.000 0.468 184 Q N 0.123 119.923 119.800 0.001 0.000 2.222 184 Q HA 0.273 4.613 4.340 -0.000 0.000 0.252 184 Q C -0.646 175.355 176.000 0.001 0.000 0.926 184 Q CA -0.493 55.310 55.803 0.001 0.000 0.899 184 Q CB 0.545 29.283 28.738 -0.000 0.000 1.250 184 Q HN -0.012 nan 8.270 nan 0.000 0.441 185 D N 1.433 121.834 120.400 0.001 0.000 2.399 185 D HA 0.097 4.737 4.640 -0.000 0.000 0.241 185 D C -0.370 175.930 176.300 0.000 0.000 1.133 185 D CA 0.220 54.221 54.000 0.001 0.000 0.890 185 D CB 0.920 41.721 40.800 0.002 0.000 1.201 185 D HN 0.657 nan 8.370 nan 0.000 0.432 186 E N 1.046 121.246 120.200 0.000 0.000 2.321 186 E HA 0.383 4.733 4.350 -0.000 0.000 0.278 186 E C -1.926 174.673 176.600 -0.001 0.000 0.902 186 E CA -0.848 55.552 56.400 -0.001 0.000 0.758 186 E CB 1.729 31.428 29.700 -0.001 0.000 1.213 186 E HN 0.195 nan 8.360 nan 0.000 0.426 187 L N 3.857 125.079 121.223 -0.002 0.000 2.298 187 L HA 0.508 4.848 4.340 -0.000 0.000 0.284 187 L C -1.449 175.419 176.870 -0.003 0.000 1.013 187 L CA -0.278 54.560 54.840 -0.003 0.000 0.824 187 L CB 1.320 43.377 42.059 -0.003 0.000 1.221 187 L HN 0.463 nan 8.230 nan 0.000 0.418 188 D N 3.941 124.338 120.400 -0.004 0.000 2.177 188 D HA 0.516 5.156 4.640 -0.000 0.000 0.247 188 D C -0.898 175.399 176.300 -0.005 0.000 1.063 188 D CA 0.066 54.063 54.000 -0.004 0.000 0.867 188 D CB 2.384 43.181 40.800 -0.005 0.000 1.168 188 D HN 0.291 nan 8.370 nan 0.000 0.445 189 V N 2.661 122.572 119.914 -0.005 0.000 2.488 189 V HA 0.192 4.312 4.120 -0.000 0.000 0.293 189 V C -0.148 175.943 176.094 -0.004 0.000 1.027 189 V CA -0.845 61.452 62.300 -0.004 0.000 0.862 189 V CB 1.905 33.725 31.823 -0.004 0.000 1.008 189 V HN 0.287 nan 8.190 nan 0.000 0.428 190 V N 3.720 123.632 119.914 -0.003 0.000 2.498 190 V HA 0.406 4.526 4.120 -0.000 0.000 0.279 190 V C 0.303 176.397 176.094 0.001 0.000 1.048 190 V CA -0.700 61.598 62.300 -0.002 0.000 0.967 190 V CB 1.273 33.096 31.823 -0.001 0.000 0.988 190 V HN 0.737 nan 8.190 nan 0.000 0.473 191 E N 3.388 123.588 120.200 0.000 0.000 2.167 191 E HA 0.489 4.839 4.350 -0.000 0.000 0.284 191 E C 0.848 177.452 176.600 0.006 0.000 1.016 191 E CA 0.910 57.311 56.400 0.002 0.000 0.817 191 E CB 1.241 30.940 29.700 -0.001 0.000 1.080 191 E HN 1.014 nan 8.360 nan 0.000 0.397 192 G N 3.634 112.439 108.800 0.008 0.000 2.527 192 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.268 192 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.268 192 G C 0.005 174.920 174.900 0.025 0.000 1.175 192 G CA 0.332 45.441 45.100 0.013 0.000 0.962 192 G HN 0.551 nan 8.290 nan 0.000 0.560 193 M N 1.261 120.884 119.600 0.039 0.000 2.157 193 M HA 0.707 5.187 4.480 -0.000 0.000 0.354 193 M C -0.354 176.010 176.300 0.106 0.000 1.170 193 M CA -0.147 55.196 55.300 0.072 0.000 1.060 193 M CB 1.257 33.902 32.600 0.076 0.000 1.615 193 M HN 0.931 nan 8.290 nan 0.000 0.460 194 Q N 4.934 124.820 119.800 0.143 0.000 2.438 194 Q HA 0.507 4.847 4.340 -0.000 0.000 0.272 194 Q C -2.183 173.944 176.000 0.211 0.000 0.994 194 Q CA -0.768 55.109 55.803 0.124 0.000 0.887 194 Q CB 1.601 30.343 28.738 0.006 0.000 1.432 194 Q HN 0.807 nan 8.270 nan 0.000 0.392 195 F N -0.230 119.712 119.950 -0.012 0.000 2.764 195 F HA 0.604 5.131 4.527 0.000 0.000 0.347 195 F C -0.543 175.248 175.800 -0.015 0.000 1.151 195 F CA -1.259 56.735 58.000 -0.010 0.000 1.021 195 F CB 0.691 39.688 39.000 -0.006 0.000 1.438 195 F HN 0.417 nan 8.300 nan 0.000 0.516 196 D N 0.380 120.862 120.400 0.137 0.000 2.870 196 D HA 0.223 4.863 4.640 -0.000 0.000 0.241 196 D C -0.547 175.736 176.300 -0.028 0.000 1.234 196 D CA 0.064 54.073 54.000 0.016 0.000 0.844 196 D CB -0.122 40.716 40.800 0.064 0.000 1.051 196 D HN 0.111 nan 8.370 nan 0.000 0.469 197 R N 0.526 120.927 120.500 -0.165 0.000 2.513 197 R HA 0.615 4.955 4.340 -0.000 0.000 0.301 197 R C 0.329 176.491 176.300 -0.230 0.000 0.968 197 R CA -0.770 55.256 56.100 -0.123 0.000 0.872 197 R CB 1.702 32.031 30.300 0.048 0.000 1.177 197 R HN 0.154 nan 8.270 nan 0.000 0.444 198 G N 1.502 110.171 108.800 -0.218 0.000 2.488 198 G HA2 0.397 4.357 3.960 -0.000 0.000 0.318 198 G HA3 0.397 4.357 3.960 -0.000 0.000 0.318 198 G C -0.529 174.215 174.900 -0.259 0.000 1.188 198 G CA -0.549 44.321 45.100 -0.383 0.000 0.944 198 G HN 0.462 nan 8.290 nan 0.000 0.495 199 Y N -1.029 119.286 120.300 0.024 0.000 2.757 199 Y HA 0.140 4.690 4.550 -0.000 0.000 0.344 199 Y C 1.192 177.187 175.900 0.158 0.000 1.263 199 Y CA -0.645 57.517 58.100 0.105 0.000 1.493 199 Y CB 0.294 38.875 38.460 0.201 0.000 1.342 199 Y HN 0.205 nan 8.280 nan 0.000 0.627 200 L N 1.549 123.055 121.223 0.472 0.000 2.446 200 L HA 0.095 4.435 4.340 -0.000 0.000 0.219 200 L C 0.452 177.541 176.870 0.365 0.000 1.116 200 L CA 0.801 55.857 54.840 0.361 0.000 0.844 200 L CB -0.090 42.147 42.059 0.297 0.000 0.970 200 L HN 0.838 nan 8.230 nan 0.000 0.457 201 S N -2.501 113.466 115.700 0.446 0.000 2.575 201 S HA 0.403 4.873 4.470 -0.000 0.000 0.278 201 S C -2.435 172.149 174.600 -0.027 0.000 1.139 201 S CA -1.227 57.068 58.200 0.157 0.000 0.954 201 S CB 1.812 65.004 63.200 -0.012 0.000 1.054 201 S HN -0.244 nan 8.310 nan 0.000 0.483 202 P HA 0.015 nan 4.420 nan 0.000 0.236 202 P C 0.110 177.068 177.300 -0.570 0.000 1.172 202 P CA 0.689 63.384 63.100 -0.676 0.000 0.759 202 P CB -0.336 31.105 31.700 -0.432 0.000 0.843 203 Y N -2.736 117.358 120.300 -0.342 0.000 2.420 203 Y HA 0.026 4.576 4.550 -0.000 0.000 0.292 203 Y C 1.874 177.617 175.900 -0.262 0.000 1.119 203 Y CA 0.590 58.508 58.100 -0.303 0.000 1.229 203 Y CB -0.967 37.293 38.460 -0.334 0.000 1.026 203 Y HN -0.104 nan 8.280 nan 0.000 0.554 204 F N 0.343 120.281 119.950 -0.020 0.000 2.250 204 F HA -0.138 4.389 4.527 -0.000 0.000 0.301 204 F C 0.984 176.745 175.800 -0.065 0.000 1.077 204 F CA 0.207 58.194 58.000 -0.022 0.000 1.348 204 F CB -0.978 38.021 39.000 -0.001 0.000 1.040 204 F HN -0.152 nan 8.300 nan 0.000 0.509 205 I N 2.537 123.104 120.570 -0.005 0.000 2.907 205 I HA -0.184 3.986 4.170 -0.000 0.000 0.285 205 I C 0.932 177.050 176.117 0.002 0.000 1.189 205 I CA 0.288 61.555 61.300 -0.054 0.000 1.376 205 I CB -0.134 37.751 38.000 -0.192 0.000 1.420 205 I HN 0.198 nan 8.210 nan 0.000 0.544 206 N N 5.775 124.495 118.700 0.034 0.000 2.336 206 N HA -0.004 4.736 4.740 -0.000 0.000 0.189 206 N C -0.056 175.465 175.510 0.018 0.000 1.113 206 N CA 0.210 53.279 53.050 0.032 0.000 0.858 206 N CB 0.396 38.910 38.487 0.044 0.000 0.970 206 N HN 0.429 nan 8.380 nan 0.000 0.471 207 K N 0.862 121.270 120.400 0.013 0.000 2.701 207 K HA 0.220 4.540 4.320 -0.000 0.000 0.212 207 K C -2.232 174.370 176.600 0.004 0.000 1.035 207 K CA -1.520 54.773 56.287 0.010 0.000 1.048 207 K CB 2.439 34.948 32.500 0.015 0.000 1.234 207 K HN -0.009 nan 8.250 nan 0.000 0.540 208 P HA -0.160 nan 4.420 nan 0.000 0.220 208 P C 0.374 177.672 177.300 -0.002 0.000 1.148 208 P CA 1.203 64.296 63.100 -0.012 0.000 0.803 208 P CB 0.464 32.153 31.700 -0.018 0.000 0.782 209 E N -0.013 120.189 120.200 0.002 0.000 2.118 209 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 209 E C 1.874 178.479 176.600 0.009 0.000 0.992 209 E CA 1.803 58.205 56.400 0.004 0.000 0.804 209 E CB -1.549 28.153 29.700 0.004 0.000 0.741 209 E HN 0.275 nan 8.360 nan 0.000 0.458 210 T N -1.043 113.520 114.554 0.014 0.000 3.014 210 T HA 0.162 4.512 4.350 -0.000 0.000 0.263 210 T C 1.465 176.185 174.700 0.033 0.000 1.078 210 T CA 0.666 62.778 62.100 0.020 0.000 1.135 210 T CB -0.065 68.817 68.868 0.023 0.000 0.895 210 T HN 0.428 nan 8.240 nan 0.000 0.480 211 G N 1.416 110.237 108.800 0.034 0.000 2.160 211 G HA2 0.063 4.023 3.960 -0.000 0.000 0.244 211 G HA3 0.063 4.023 3.960 -0.000 0.000 0.244 211 G C 0.031 175.002 174.900 0.118 0.000 1.022 211 G CA -0.003 45.129 45.100 0.053 0.000 0.741 211 G HN 0.977 nan 8.290 nan 0.000 0.508 212 A N -1.421 121.455 122.820 0.092 0.000 2.556 212 A HA 0.910 5.230 4.320 -0.000 0.000 0.294 212 A C -0.288 177.352 177.584 0.093 0.000 1.091 212 A CA -0.157 51.964 52.037 0.140 0.000 0.704 212 A CB 1.925 20.981 19.000 0.093 0.000 1.300 212 A HN 1.303 nan 8.150 nan 0.000 0.406 213 V N 0.874 120.861 119.914 0.123 0.000 2.539 213 V HA 0.630 4.750 4.120 -0.000 0.000 0.292 213 V C 0.101 176.224 176.094 0.048 0.000 1.045 213 V CA -0.337 62.014 62.300 0.085 0.000 0.945 213 V CB 1.392 33.284 31.823 0.115 0.000 0.993 213 V HN 0.907 nan 8.190 nan 0.000 0.464 214 E N 3.973 124.194 120.200 0.034 0.000 2.274 214 E HA 0.625 4.975 4.350 -0.000 0.000 0.269 214 E C -1.948 174.662 176.600 0.016 0.000 0.891 214 E CA -0.547 55.864 56.400 0.019 0.000 0.784 214 E CB 1.676 31.385 29.700 0.016 0.000 1.225 214 E HN 0.667 nan 8.360 nan 0.000 0.412 215 L N 2.473 123.701 121.223 0.008 0.000 2.388 215 L HA 0.607 4.947 4.340 -0.000 0.000 0.264 215 L C -0.611 176.256 176.870 -0.005 0.000 0.998 215 L CA -1.027 53.817 54.840 0.006 0.000 0.817 215 L CB 2.163 44.227 42.059 0.008 0.000 1.338 215 L HN 0.462 nan 8.230 nan 0.000 0.414 216 E N 0.318 120.513 120.200 -0.008 0.000 2.222 216 E HA 0.445 4.795 4.350 -0.000 0.000 0.267 216 E C -0.464 176.112 176.600 -0.041 0.000 0.884 216 E CA -0.866 55.521 56.400 -0.022 0.000 0.764 216 E CB 1.836 31.527 29.700 -0.015 0.000 1.169 216 E HN 0.598 nan 8.360 nan 0.000 0.413 217 S N 1.158 116.818 115.700 -0.067 0.000 3.614 217 S HA -0.122 4.348 4.470 -0.000 0.000 0.360 217 S C -2.261 172.231 174.600 -0.180 0.000 1.023 217 S CA 0.454 58.580 58.200 -0.123 0.000 1.114 217 S CB -1.522 61.609 63.200 -0.116 0.000 0.907 217 S HN 0.479 nan 8.310 nan 0.000 0.470 218 P HA 0.506 nan 4.420 nan 0.000 0.284 218 P C 0.113 177.334 177.300 -0.132 0.000 1.253 218 P CA -0.601 62.452 63.100 -0.079 0.000 0.800 218 P CB 0.428 32.122 31.700 -0.009 0.000 0.961 219 F N 1.605 121.558 119.950 0.004 0.000 2.406 219 F HA 0.306 4.833 4.527 -0.000 0.000 0.327 219 F C 1.058 176.859 175.800 0.003 0.000 1.153 219 F CA 0.267 58.270 58.000 0.004 0.000 1.218 219 F CB 0.300 39.302 39.000 0.004 0.000 1.215 219 F HN 0.088 nan 8.300 nan 0.000 0.570 220 I N 3.575 124.274 120.570 0.215 0.000 2.447 220 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 220 I C -1.282 174.894 176.117 0.100 0.000 1.023 220 I CA -0.830 60.541 61.300 0.119 0.000 1.083 220 I CB 1.765 39.811 38.000 0.076 0.000 1.245 220 I HN 0.246 nan 8.210 nan 0.000 0.434 221 L N 8.070 129.334 121.223 0.070 0.000 2.255 221 L HA 0.489 4.829 4.340 -0.000 0.000 0.289 221 L C -0.880 176.009 176.870 0.033 0.000 1.046 221 L CA -0.089 54.778 54.840 0.044 0.000 0.816 221 L CB 0.651 42.728 42.059 0.030 0.000 1.197 221 L HN 0.463 nan 8.230 nan 0.000 0.427 222 L N 6.220 127.457 121.223 0.024 0.000 2.264 222 L HA 0.669 5.009 4.340 -0.000 0.000 0.287 222 L C 0.002 176.876 176.870 0.007 0.000 1.039 222 L CA -0.505 54.342 54.840 0.012 0.000 0.829 222 L CB 1.120 43.180 42.059 0.002 0.000 1.211 222 L HN 0.773 nan 8.230 nan 0.000 0.427 223 A N 1.935 124.760 122.820 0.010 0.000 2.285 223 A HA 0.330 4.650 4.320 -0.000 0.000 0.310 223 A C -0.380 177.208 177.584 0.007 0.000 1.266 223 A CA -0.536 51.507 52.037 0.010 0.000 0.832 223 A CB 0.754 19.763 19.000 0.016 0.000 1.163 223 A HN 0.685 nan 8.150 nan 0.000 0.499 224 D N 2.788 123.189 120.400 0.002 0.000 2.713 224 D HA 0.351 4.991 4.640 -0.000 0.000 0.229 224 D C -0.044 176.261 176.300 0.008 0.000 1.136 224 D CA 0.341 54.341 54.000 0.000 0.000 1.010 224 D CB -0.590 40.205 40.800 -0.008 0.000 1.084 224 D HN 0.608 nan 8.370 nan 0.000 0.495 225 K N -0.338 120.071 120.400 0.015 0.000 2.774 225 K HA 0.199 4.519 4.320 -0.000 0.000 0.283 225 K C -1.067 175.549 176.600 0.027 0.000 1.050 225 K CA -1.156 55.143 56.287 0.020 0.000 0.872 225 K CB 0.587 33.096 32.500 0.016 0.000 1.434 225 K HN -0.174 nan 8.250 nan 0.000 0.372 226 K N 1.678 122.096 120.400 0.030 0.000 2.414 226 K HA 0.188 4.508 4.320 -0.000 0.000 0.272 226 K C -0.262 176.359 176.600 0.033 0.000 0.993 226 K CA 0.080 56.388 56.287 0.035 0.000 0.964 226 K CB 0.296 32.817 32.500 0.035 0.000 0.925 226 K HN 0.402 nan 8.250 nan 0.000 0.487 227 I N 2.323 122.917 120.570 0.040 0.000 2.420 227 I HA 0.033 4.203 4.170 -0.000 0.000 0.282 227 I C 0.272 176.413 176.117 0.041 0.000 1.019 227 I CA -0.072 61.252 61.300 0.039 0.000 1.130 227 I CB 1.719 39.745 38.000 0.044 0.000 1.262 227 I HN 0.667 nan 8.210 nan 0.000 0.454 228 S N 3.444 119.164 115.700 0.033 0.000 2.591 228 S HA 0.191 4.661 4.470 -0.000 0.000 0.235 228 S C 0.735 175.351 174.600 0.027 0.000 1.074 228 S CA -0.021 58.197 58.200 0.031 0.000 0.925 228 S CB 0.255 63.470 63.200 0.026 0.000 0.818 228 S HN 0.572 nan 8.310 nan 0.000 0.535 229 N N 2.135 120.849 118.700 0.023 0.000 2.444 229 N HA 0.262 5.002 4.740 -0.000 0.000 0.271 229 N C 0.396 175.918 175.510 0.020 0.000 1.069 229 N CA -0.064 52.997 53.050 0.019 0.000 0.965 229 N CB 1.413 39.908 38.487 0.014 0.000 1.092 229 N HN 0.154 nan 8.380 nan 0.000 0.476 230 I N 3.327 123.909 120.570 0.020 0.000 2.676 230 I HA -0.193 3.977 4.170 -0.000 0.000 0.259 230 I C 1.815 177.941 176.117 0.014 0.000 1.194 230 I CA 0.791 62.104 61.300 0.021 0.000 1.473 230 I CB 0.174 38.187 38.000 0.020 0.000 1.096 230 I HN 0.456 nan 8.210 nan 0.000 0.443 231 R N 0.941 121.448 120.500 0.011 0.000 2.119 231 R HA -0.242 4.098 4.340 -0.000 0.000 0.246 231 R C 1.729 178.032 176.300 0.006 0.000 1.146 231 R CA 1.924 58.028 56.100 0.007 0.000 0.962 231 R CB -0.868 29.436 30.300 0.005 0.000 0.863 231 R HN 0.499 nan 8.270 nan 0.000 0.442 232 E N 0.243 120.447 120.200 0.008 0.000 2.333 232 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 232 E C 1.849 178.452 176.600 0.005 0.000 1.007 232 E CA 0.842 57.246 56.400 0.007 0.000 0.845 232 E CB -0.004 29.702 29.700 0.010 0.000 0.766 232 E HN 0.340 nan 8.360 nan 0.000 0.507 233 M N -0.168 119.437 119.600 0.008 0.000 2.429 233 M HA 0.050 4.530 4.480 -0.000 0.000 0.265 233 M C 2.273 178.573 176.300 -0.001 0.000 1.120 233 M CA 0.648 55.952 55.300 0.007 0.000 1.173 233 M CB -0.641 31.970 32.600 0.017 0.000 1.343 233 M HN 0.121 nan 8.290 nan 0.000 0.464 234 L N 1.017 122.240 121.223 0.000 0.000 2.010 234 L HA -0.251 4.089 4.340 -0.000 0.000 0.219 234 L C -0.394 176.469 176.870 -0.012 0.000 1.077 234 L CA 2.043 56.881 54.840 -0.004 0.000 0.773 234 L CB -2.417 39.641 42.059 -0.002 0.000 0.892 234 L HN 0.171 nan 8.230 nan 0.000 0.436 235 P HA -0.152 nan 4.420 nan 0.000 0.217 235 P C 1.726 179.005 177.300 -0.036 0.000 1.148 235 P CA 1.524 64.610 63.100 -0.022 0.000 0.828 235 P CB 0.032 31.720 31.700 -0.020 0.000 0.783 236 V N 0.149 120.041 119.914 -0.037 0.000 2.341 236 V HA -0.120 4.000 4.120 -0.000 0.000 0.240 236 V C 2.786 178.844 176.094 -0.061 0.000 1.035 236 V CA 1.044 63.310 62.300 -0.057 0.000 1.033 236 V CB -1.343 30.452 31.823 -0.046 0.000 0.678 236 V HN -0.049 nan 8.190 nan 0.000 0.464 237 L N 0.257 121.460 121.223 -0.033 0.000 2.197 237 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 237 L C 2.479 179.333 176.870 -0.025 0.000 1.095 237 L CA 1.780 56.609 54.840 -0.019 0.000 0.764 237 L CB -0.625 41.436 42.059 0.002 0.000 0.897 237 L HN 0.510 nan 8.230 nan 0.000 0.436 238 E N -0.384 119.797 120.200 -0.031 0.000 2.216 238 E HA -0.009 4.340 4.350 -0.000 0.000 0.192 238 E C 2.321 178.895 176.600 -0.043 0.000 0.973 238 E CA 0.728 57.112 56.400 -0.027 0.000 0.851 238 E CB -0.018 29.670 29.700 -0.020 0.000 0.804 238 E HN 0.459 nan 8.360 nan 0.000 0.477 239 A N 1.422 124.202 122.820 -0.068 0.000 1.972 239 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 239 A C 2.435 179.938 177.584 -0.134 0.000 1.169 239 A CA 1.048 53.026 52.037 -0.098 0.000 0.635 239 A CB -0.446 18.480 19.000 -0.123 0.000 0.810 239 A HN 0.104 nan 8.150 nan 0.000 0.446 240 V N -0.586 119.244 119.914 -0.141 0.000 2.488 240 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 240 V C 2.894 178.976 176.094 -0.019 0.000 1.046 240 V CA 1.424 63.644 62.300 -0.133 0.000 1.053 240 V CB -1.189 30.568 31.823 -0.110 0.000 0.679 240 V HN 0.546 nan 8.190 nan 0.000 0.458 241 A N -0.413 122.400 122.820 -0.011 0.000 2.019 241 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 241 A C 2.331 179.923 177.584 0.013 0.000 1.164 241 A CA 1.644 53.688 52.037 0.011 0.000 0.644 241 A CB -0.364 18.640 19.000 0.007 0.000 0.805 241 A HN 0.475 nan 8.150 nan 0.000 0.449 242 K N -0.804 119.596 120.400 -0.001 0.000 2.186 242 K HA 0.104 4.424 4.320 -0.000 0.000 0.202 242 K C 1.982 178.596 176.600 0.023 0.000 1.052 242 K CA 0.828 57.117 56.287 0.005 0.000 0.965 242 K CB -0.097 32.397 32.500 -0.009 0.000 0.746 242 K HN 0.423 nan 8.250 nan 0.000 0.457 243 A N 0.225 123.065 122.820 0.034 0.000 2.169 243 A HA 0.129 4.449 4.320 -0.000 0.000 0.212 243 A C 1.300 178.953 177.584 0.115 0.000 1.153 243 A CA 0.962 53.054 52.037 0.091 0.000 0.756 243 A CB -0.260 18.832 19.000 0.153 0.000 0.813 243 A HN 0.406 nan 8.150 nan 0.000 0.471 244 G N -0.640 108.214 108.800 0.089 0.000 2.179 244 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 244 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 244 G C 0.131 175.089 174.900 0.097 0.000 1.010 244 G CA 0.844 45.991 45.100 0.078 0.000 0.736 244 G HN 0.599 nan 8.290 nan 0.000 0.513 245 K N 0.678 121.173 120.400 0.158 0.000 2.156 245 K HA 0.560 4.880 4.320 -0.000 0.000 0.250 245 K C -2.056 174.643 176.600 0.165 0.000 0.955 245 K CA -2.014 54.369 56.287 0.160 0.000 0.855 245 K CB 2.201 34.825 32.500 0.207 0.000 1.101 245 K HN 0.046 nan 8.250 nan 0.000 0.434 246 P HA 0.136 nan 4.420 nan 0.000 0.275 246 P C -1.229 176.151 177.300 0.134 0.000 1.266 246 P CA -0.496 62.662 63.100 0.098 0.000 0.793 246 P CB 0.613 32.346 31.700 0.056 0.000 1.074 247 L N 0.542 121.823 121.223 0.096 0.000 2.464 247 L HA 0.500 4.840 4.340 -0.000 0.000 0.266 247 L C -1.494 175.395 176.870 0.031 0.000 0.965 247 L CA -0.976 53.925 54.840 0.102 0.000 0.833 247 L CB 1.687 43.806 42.059 0.100 0.000 1.296 247 L HN 0.132 nan 8.230 nan 0.000 0.405 248 L N 5.687 126.931 121.223 0.036 0.000 2.307 248 L HA 0.641 4.981 4.340 -0.000 0.000 0.282 248 L C -1.032 175.843 176.870 0.007 0.000 1.051 248 L CA -0.134 54.702 54.840 -0.006 0.000 0.804 248 L CB 1.238 43.306 42.059 0.015 0.000 1.197 248 L HN 0.469 nan 8.230 nan 0.000 0.431 249 I N 7.020 127.574 120.570 -0.027 0.000 2.390 249 I HA 0.309 4.479 4.170 -0.000 0.000 0.283 249 I C -0.449 175.682 176.117 0.023 0.000 1.016 249 I CA -0.242 61.059 61.300 0.002 0.000 1.151 249 I CB 1.053 39.049 38.000 -0.006 0.000 1.293 249 I HN 0.528 nan 8.210 nan 0.000 0.458 250 I N 5.780 126.377 120.570 0.046 0.000 2.371 250 I HA 0.543 4.713 4.170 -0.000 0.000 0.282 250 I C 0.446 176.587 176.117 0.040 0.000 1.031 250 I CA -0.048 61.291 61.300 0.066 0.000 1.180 250 I CB 1.274 39.325 38.000 0.084 0.000 1.336 250 I HN 0.645 nan 8.210 nan 0.000 0.467 251 A N 4.270 127.118 122.820 0.046 0.000 2.387 251 A HA 0.457 4.777 4.320 -0.000 0.000 0.298 251 A C 1.011 178.621 177.584 0.043 0.000 1.165 251 A CA -0.536 51.523 52.037 0.037 0.000 0.814 251 A CB 1.061 20.084 19.000 0.040 0.000 1.357 251 A HN 0.715 nan 8.150 nan 0.000 0.443 252 E N -0.704 119.518 120.200 0.037 0.000 2.171 252 E HA -0.159 4.191 4.350 -0.000 0.000 0.197 252 E C -0.307 176.327 176.600 0.057 0.000 0.997 252 E CA 1.786 58.212 56.400 0.044 0.000 0.810 252 E CB 0.111 29.834 29.700 0.039 0.000 0.738 252 E HN 0.634 nan 8.360 nan 0.000 0.467 253 D N -2.443 117.991 120.400 0.057 0.000 2.912 253 D HA 0.102 4.742 4.640 -0.000 0.000 0.263 253 D C -2.011 174.330 176.300 0.068 0.000 1.152 253 D CA -0.488 53.551 54.000 0.065 0.000 0.728 253 D CB 1.516 42.352 40.800 0.060 0.000 1.337 253 D HN -0.133 nan 8.370 nan 0.000 0.435 254 V N 2.697 122.661 119.914 0.083 0.000 2.380 254 V HA 0.429 4.549 4.120 -0.000 0.000 0.286 254 V C 0.280 176.430 176.094 0.094 0.000 1.015 254 V CA -0.594 61.762 62.300 0.093 0.000 0.834 254 V CB 1.237 33.134 31.823 0.122 0.000 1.009 254 V HN 0.449 nan 8.190 nan 0.000 0.428 255 E N 2.517 122.761 120.200 0.073 0.000 2.790 255 E HA 0.448 4.798 4.350 -0.000 0.000 0.256 255 E C 1.473 178.109 176.600 0.059 0.000 1.246 255 E CA -0.023 56.414 56.400 0.062 0.000 1.041 255 E CB 0.664 30.392 29.700 0.047 0.000 1.272 255 E HN 0.609 nan 8.360 nan 0.000 0.603 256 G N 0.754 109.582 108.800 0.046 0.000 2.863 256 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.217 256 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.217 256 G C 1.266 176.185 174.900 0.032 0.000 1.315 256 G CA 1.088 46.210 45.100 0.037 0.000 0.796 256 G HN 0.528 nan 8.290 nan 0.000 0.669 257 E N 0.805 121.021 120.200 0.026 0.000 2.048 257 E HA -0.228 4.122 4.350 -0.000 0.000 0.202 257 E C 2.978 179.593 176.600 0.025 0.000 1.021 257 E CA 1.648 58.060 56.400 0.020 0.000 0.825 257 E CB -0.669 29.041 29.700 0.018 0.000 0.756 257 E HN 0.301 nan 8.360 nan 0.000 0.454 258 A N 1.218 124.060 122.820 0.036 0.000 1.841 258 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 258 A C 2.313 179.936 177.584 0.064 0.000 1.199 258 A CA 1.788 53.853 52.037 0.048 0.000 0.621 258 A CB -1.065 17.967 19.000 0.054 0.000 0.835 258 A HN 0.329 nan 8.150 nan 0.000 0.445 259 L N -0.145 121.127 121.223 0.081 0.000 1.963 259 L HA -0.213 4.127 4.340 -0.000 0.000 0.220 259 L C 2.790 179.690 176.870 0.050 0.000 1.076 259 L CA 2.644 57.550 54.840 0.111 0.000 0.772 259 L CB -1.202 40.930 42.059 0.122 0.000 0.892 259 L HN 0.461 nan 8.230 nan 0.000 0.435 260 A N -1.709 121.122 122.820 0.017 0.000 1.894 260 A HA -0.367 3.953 4.320 -0.000 0.000 0.220 260 A C 2.301 179.858 177.584 -0.045 0.000 1.237 260 A CA 3.214 55.233 52.037 -0.030 0.000 0.660 260 A CB -1.557 17.430 19.000 -0.021 0.000 0.835 260 A HN 0.588 nan 8.150 nan 0.000 0.461 261 T N 0.069 114.616 114.554 -0.012 0.000 2.746 261 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 261 T C 1.829 176.531 174.700 0.004 0.000 1.039 261 T CA 1.375 63.469 62.100 -0.010 0.000 1.142 261 T CB -0.382 68.489 68.868 0.005 0.000 0.866 261 T HN 0.358 nan 8.240 nan 0.000 0.444 262 L N 0.753 122.005 121.223 0.048 0.000 2.042 262 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 262 L C 2.628 179.535 176.870 0.062 0.000 1.076 262 L CA 1.132 56.039 54.840 0.112 0.000 0.749 262 L CB -0.566 41.635 42.059 0.236 0.000 0.893 262 L HN 0.176 nan 8.230 nan 0.000 0.432 263 V N -0.769 119.100 119.914 -0.075 0.000 2.295 263 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 263 V C 2.389 178.356 176.094 -0.212 0.000 1.049 263 V CA 1.666 63.797 62.300 -0.282 0.000 1.024 263 V CB -0.374 31.243 31.823 -0.345 0.000 0.648 263 V HN 0.246 nan 8.190 nan 0.000 0.447 264 V N 0.683 120.504 119.914 -0.154 0.000 2.407 264 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 264 V C 2.004 178.056 176.094 -0.071 0.000 1.055 264 V CA 2.384 64.607 62.300 -0.127 0.000 1.049 264 V CB -1.127 30.638 31.823 -0.096 0.000 0.662 264 V HN 0.644 nan 8.190 nan 0.000 0.455 265 N N 0.495 119.176 118.700 -0.030 0.000 2.207 265 N HA -0.134 4.606 4.740 -0.000 0.000 0.182 265 N C 1.990 177.514 175.510 0.022 0.000 1.020 265 N CA 1.612 54.664 53.050 0.004 0.000 0.858 265 N CB -0.192 38.312 38.487 0.028 0.000 0.991 265 N HN 0.673 nan 8.380 nan 0.000 0.427 266 T N -0.413 114.168 114.554 0.045 0.000 2.857 266 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 266 T C 1.930 176.649 174.700 0.031 0.000 1.048 266 T CA 0.604 62.752 62.100 0.080 0.000 1.139 266 T CB -0.211 68.771 68.868 0.190 0.000 0.874 266 T HN -0.020 nan 8.240 nan 0.000 0.455 267 M N 1.485 121.069 119.600 -0.026 0.000 2.082 267 M HA 0.012 4.492 4.480 -0.000 0.000 0.258 267 M C 2.308 178.593 176.300 -0.026 0.000 1.071 267 M CA 1.654 56.925 55.300 -0.048 0.000 1.103 267 M CB -0.394 32.135 32.600 -0.120 0.000 1.307 267 M HN 0.046 nan 8.290 nan 0.000 0.409 268 R N -0.264 120.219 120.500 -0.028 0.000 2.369 268 R HA 0.078 4.418 4.340 -0.000 0.000 0.200 268 R C 0.737 177.035 176.300 -0.003 0.000 1.046 268 R CA 0.629 56.718 56.100 -0.018 0.000 1.057 268 R CB -0.741 29.545 30.300 -0.022 0.000 0.888 268 R HN 0.751 nan 8.270 nan 0.000 0.474 269 G N 0.959 109.763 108.800 0.008 0.000 2.176 269 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 269 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 269 G C 0.615 175.526 174.900 0.019 0.000 1.024 269 G CA 0.248 45.358 45.100 0.017 0.000 0.755 269 G HN 0.326 nan 8.290 nan 0.000 0.507 270 I N -1.165 119.417 120.570 0.020 0.000 2.185 270 I HA 0.104 4.274 4.170 -0.000 0.000 0.235 270 I C 1.020 177.155 176.117 0.030 0.000 1.069 270 I CA 1.236 62.549 61.300 0.021 0.000 1.354 270 I CB -0.129 37.881 38.000 0.017 0.000 1.093 270 I HN 0.081 nan 8.210 nan 0.000 0.411 271 V N 0.740 120.680 119.914 0.042 0.000 2.686 271 V HA 0.258 4.378 4.120 -0.000 0.000 0.306 271 V C -0.666 175.471 176.094 0.071 0.000 1.065 271 V CA -1.061 61.270 62.300 0.052 0.000 0.894 271 V CB 1.725 33.576 31.823 0.048 0.000 1.004 271 V HN 0.094 nan 8.190 nan 0.000 0.424 272 K N 2.941 123.384 120.400 0.072 0.000 2.363 272 K HA 0.548 4.868 4.320 -0.000 0.000 0.289 272 K C -0.661 175.990 176.600 0.086 0.000 1.063 272 K CA 0.318 56.655 56.287 0.083 0.000 0.967 272 K CB 0.574 33.114 32.500 0.067 0.000 0.987 272 K HN 0.530 nan 8.250 nan 0.000 0.473 273 V N 1.313 121.296 119.914 0.115 0.000 3.114 273 V HA 0.872 4.992 4.120 -0.000 0.000 0.308 273 V C -0.914 175.139 176.094 -0.067 0.000 1.168 273 V CA -1.128 61.209 62.300 0.061 0.000 1.015 273 V CB 2.156 34.039 31.823 0.100 0.000 1.050 273 V HN 0.742 nan 8.190 nan 0.000 0.433 274 A N 1.376 123.964 122.820 -0.387 0.000 2.587 274 A HA 1.054 5.374 4.320 -0.000 0.000 0.293 274 A C -0.923 176.173 177.584 -0.813 0.000 1.087 274 A CA -0.140 51.267 52.037 -1.050 0.000 0.692 274 A CB 2.029 20.734 19.000 -0.493 0.000 1.291 274 A HN 2.032 nan 8.150 nan 0.000 0.407 275 A N 0.069 122.305 122.820 -0.973 0.000 2.486 275 A HA 0.864 5.184 4.320 -0.000 0.000 0.300 275 A C -0.914 176.623 177.584 -0.079 0.000 1.048 275 A CA -0.067 51.788 52.037 -0.303 0.000 0.696 275 A CB 1.483 20.427 19.000 -0.092 0.000 1.278 275 A HN 2.316 nan 8.150 nan 0.000 0.405 276 V N -0.858 119.065 119.914 0.014 0.000 2.924 276 V HA 0.524 4.644 4.120 -0.000 0.000 0.300 276 V C -0.466 175.697 176.094 0.114 0.000 1.227 276 V CA -1.264 61.074 62.300 0.063 0.000 0.954 276 V CB 1.100 32.945 31.823 0.036 0.000 1.055 276 V HN 0.943 nan 8.190 nan 0.000 0.429 277 K N 1.823 122.293 120.400 0.117 0.000 2.344 277 K HA 0.574 4.894 4.320 -0.000 0.000 0.260 277 K C 0.642 177.347 176.600 0.176 0.000 0.988 277 K CA 0.516 56.877 56.287 0.124 0.000 0.909 277 K CB 0.632 33.193 32.500 0.102 0.000 0.968 277 K HN 1.150 nan 8.250 nan 0.000 0.505 278 A N 2.845 125.731 122.820 0.111 0.000 2.332 278 A HA 0.288 4.608 4.320 -0.000 0.000 0.258 278 A C -2.176 175.443 177.584 0.060 0.000 1.087 278 A CA -1.250 50.816 52.037 0.050 0.000 0.802 278 A CB -0.195 18.809 19.000 0.007 0.000 1.042 278 A HN 0.448 nan 8.150 nan 0.000 0.489 279 P HA 0.393 nan 4.420 nan 0.000 0.276 279 P C 0.687 178.004 177.300 0.029 0.000 1.230 279 P CA 1.407 64.494 63.100 -0.021 0.000 0.776 279 P CB 0.643 32.166 31.700 -0.295 0.000 0.888 280 G N 2.758 111.625 108.800 0.112 0.000 2.692 280 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.248 280 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.248 280 G C -0.557 174.501 174.900 0.263 0.000 1.340 280 G CA 0.230 45.439 45.100 0.182 0.000 0.896 280 G HN 0.691 nan 8.290 nan 0.000 0.570 281 F N -2.335 117.628 119.950 0.021 0.000 2.922 281 F HA 0.853 5.380 4.527 -0.000 0.000 0.345 281 F C 1.335 177.146 175.800 0.018 0.000 1.209 281 F CA 0.240 58.252 58.000 0.019 0.000 1.018 281 F CB 0.547 39.561 39.000 0.024 0.000 1.472 281 F HN 2.386 nan 8.300 nan 0.000 0.521 282 G N 0.835 109.462 108.800 -0.288 0.000 2.622 282 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.307 282 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.307 282 G C 0.465 175.239 174.900 -0.210 0.000 1.226 282 G CA 0.790 45.667 45.100 -0.372 0.000 0.997 282 G HN 0.860 nan 8.290 nan 0.000 0.551 283 D N 0.985 121.253 120.400 -0.220 0.000 2.216 283 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 283 D C 2.630 178.863 176.300 -0.112 0.000 0.960 283 D CA 1.210 55.133 54.000 -0.128 0.000 0.861 283 D CB -0.033 40.704 40.800 -0.105 0.000 0.985 283 D HN 0.623 nan 8.370 nan 0.000 0.493 284 R N 1.419 121.837 120.500 -0.137 0.000 2.120 284 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 284 R C 2.290 178.535 176.300 -0.090 0.000 1.123 284 R CA 0.553 56.589 56.100 -0.107 0.000 0.975 284 R CB -0.463 29.771 30.300 -0.110 0.000 0.866 284 R HN 0.052 nan 8.270 nan 0.000 0.446 285 R N 2.137 122.586 120.500 -0.085 0.000 2.122 285 R HA -0.223 4.117 4.340 -0.000 0.000 0.236 285 R C 1.721 177.980 176.300 -0.068 0.000 1.129 285 R CA 2.393 58.457 56.100 -0.061 0.000 0.925 285 R CB -0.164 30.121 30.300 -0.024 0.000 0.850 285 R HN 0.278 nan 8.270 nan 0.000 0.431 286 K N -0.158 120.208 120.400 -0.057 0.000 2.032 286 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 286 K C 2.216 178.782 176.600 -0.057 0.000 1.048 286 K CA 1.569 57.826 56.287 -0.050 0.000 0.927 286 K CB -0.259 32.217 32.500 -0.040 0.000 0.712 286 K HN 0.317 nan 8.250 nan 0.000 0.441 287 A N 1.376 124.159 122.820 -0.061 0.000 1.902 287 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 287 A C 2.141 179.682 177.584 -0.072 0.000 1.181 287 A CA 1.399 53.399 52.037 -0.061 0.000 0.623 287 A CB -0.407 18.556 19.000 -0.060 0.000 0.818 287 A HN 0.231 nan 8.150 nan 0.000 0.443 288 M N -1.081 118.466 119.600 -0.088 0.000 2.254 288 M HA 0.041 4.521 4.480 -0.000 0.000 0.265 288 M C 2.077 178.291 176.300 -0.143 0.000 1.066 288 M CA 0.999 56.231 55.300 -0.114 0.000 1.123 288 M CB -0.143 32.382 32.600 -0.127 0.000 1.388 288 M HN 0.486 nan 8.290 nan 0.000 0.425 289 L N 0.022 121.167 121.223 -0.132 0.000 2.083 289 L HA -0.258 4.082 4.340 -0.000 0.000 0.209 289 L C 2.452 179.269 176.870 -0.090 0.000 1.083 289 L CA 1.305 56.068 54.840 -0.129 0.000 0.752 289 L CB -0.267 41.736 42.059 -0.093 0.000 0.899 289 L HN 0.325 nan 8.230 nan 0.000 0.433 290 Q N 0.261 120.019 119.800 -0.070 0.000 2.096 290 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 290 Q C 1.633 177.602 176.000 -0.052 0.000 0.982 290 Q CA 2.089 57.861 55.803 -0.051 0.000 0.850 290 Q CB -0.224 28.488 28.738 -0.043 0.000 0.901 290 Q HN 0.438 nan 8.270 nan 0.000 0.422 291 D N -0.100 120.261 120.400 -0.066 0.000 2.106 291 D HA -0.191 4.449 4.640 -0.000 0.000 0.191 291 D C 1.899 178.166 176.300 -0.055 0.000 0.997 291 D CA 1.746 55.710 54.000 -0.060 0.000 0.834 291 D CB -0.345 40.410 40.800 -0.074 0.000 0.956 291 D HN 0.404 nan 8.370 nan 0.000 0.448 292 I N 1.111 121.633 120.570 -0.080 0.000 2.264 292 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 292 I C 2.503 178.602 176.117 -0.030 0.000 1.111 292 I CA 1.051 62.313 61.300 -0.064 0.000 1.382 292 I CB -0.332 37.601 38.000 -0.112 0.000 1.060 292 I HN -0.068 nan 8.210 nan 0.000 0.418 293 A N 0.933 123.734 122.820 -0.031 0.000 1.859 293 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 293 A C 2.428 180.007 177.584 -0.007 0.000 1.198 293 A CA 2.821 54.850 52.037 -0.013 0.000 0.629 293 A CB -1.328 17.663 19.000 -0.015 0.000 0.830 293 A HN 0.403 nan 8.150 nan 0.000 0.446 294 T N 0.507 115.053 114.554 -0.014 0.000 2.635 294 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 294 T C 1.821 176.517 174.700 -0.007 0.000 1.040 294 T CA 1.433 63.527 62.100 -0.011 0.000 1.156 294 T CB -0.427 68.431 68.868 -0.016 0.000 0.863 294 T HN 0.261 nan 8.240 nan 0.000 0.430 295 L N 1.672 122.890 121.223 -0.009 0.000 2.127 295 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 295 L C 2.284 179.154 176.870 -0.000 0.000 1.089 295 L CA 2.295 57.133 54.840 -0.004 0.000 0.757 295 L CB -1.234 40.825 42.059 -0.001 0.000 0.899 295 L HN 0.532 nan 8.230 nan 0.000 0.434 296 T N -4.705 109.850 114.554 0.003 0.000 3.085 296 T HA 0.284 4.634 4.350 -0.000 0.000 0.264 296 T C 1.127 175.833 174.700 0.010 0.000 1.019 296 T CA 0.317 62.420 62.100 0.005 0.000 0.910 296 T CB 0.108 68.984 68.868 0.012 0.000 1.059 296 T HN 0.455 nan 8.240 nan 0.000 0.542 297 G N 0.571 109.376 108.800 0.009 0.000 2.338 297 G HA2 0.094 4.054 3.960 -0.000 0.000 0.296 297 G HA3 0.094 4.054 3.960 -0.000 0.000 0.296 297 G C 0.309 175.226 174.900 0.029 0.000 1.040 297 G CA -0.133 44.976 45.100 0.015 0.000 1.004 297 G HN 1.057 nan 8.290 nan 0.000 0.509 298 G N -1.520 107.296 108.800 0.027 0.000 2.735 298 G HA2 0.816 4.776 3.960 -0.000 0.000 0.301 298 G HA3 0.816 4.776 3.960 -0.000 0.000 0.301 298 G C -0.500 174.412 174.900 0.020 0.000 1.279 298 G CA 0.031 45.152 45.100 0.036 0.000 1.019 298 G HN 0.648 nan 8.290 nan 0.000 0.497 299 T N 0.630 115.196 114.554 0.019 0.000 2.809 299 T HA 0.410 4.760 4.350 -0.000 0.000 0.284 299 T C 0.162 174.864 174.700 0.004 0.000 0.992 299 T CA -0.275 61.830 62.100 0.008 0.000 0.957 299 T CB 1.478 70.351 68.868 0.008 0.000 0.942 299 T HN 0.404 nan 8.240 nan 0.000 0.439 300 V N 4.768 124.681 119.914 -0.003 0.000 2.617 300 V HA 0.124 4.244 4.120 -0.000 0.000 0.304 300 V C 0.438 176.530 176.094 -0.004 0.000 1.040 300 V CA 0.152 62.448 62.300 -0.007 0.000 1.149 300 V CB -0.108 31.706 31.823 -0.015 0.000 0.914 300 V HN 0.785 nan 8.190 nan 0.000 0.487 301 I N 5.316 125.885 120.570 -0.002 0.000 2.412 301 I HA 0.277 4.447 4.170 -0.000 0.000 0.279 301 I C 0.274 176.390 176.117 -0.001 0.000 1.063 301 I CA 0.142 61.441 61.300 -0.001 0.000 1.193 301 I CB 0.792 38.793 38.000 0.001 0.000 1.370 301 I HN 0.758 nan 8.210 nan 0.000 0.479 302 S N 2.399 118.097 115.700 -0.003 0.000 2.537 302 S HA 0.408 4.878 4.470 -0.000 0.000 0.301 302 S C 0.458 175.058 174.600 -0.001 0.000 1.092 302 S CA -0.882 57.317 58.200 -0.002 0.000 1.048 302 S CB 1.851 65.048 63.200 -0.005 0.000 1.053 302 S HN 0.535 nan 8.310 nan 0.000 0.501 303 E N 0.774 120.975 120.200 0.001 0.000 2.516 303 E HA -0.062 4.288 4.350 -0.000 0.000 0.199 303 E C 0.977 177.577 176.600 0.000 0.000 1.069 303 E CA 0.444 56.845 56.400 0.001 0.000 0.876 303 E CB -0.057 29.645 29.700 0.004 0.000 0.843 303 E HN 0.749 nan 8.360 nan 0.000 0.530 304 E N 0.571 120.770 120.200 -0.002 0.000 2.076 304 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 304 E C 1.447 178.045 176.600 -0.004 0.000 0.979 304 E CA 0.627 57.026 56.400 -0.003 0.000 0.807 304 E CB 0.115 29.812 29.700 -0.005 0.000 0.761 304 E HN 0.297 nan 8.360 nan 0.000 0.454 305 I N 0.759 121.327 120.570 -0.004 0.000 3.680 305 I HA 0.087 4.257 4.170 -0.000 0.000 0.306 305 I C 0.644 176.759 176.117 -0.003 0.000 1.260 305 I CA -0.014 61.284 61.300 -0.004 0.000 1.201 305 I CB -0.425 37.572 38.000 -0.005 0.000 1.009 305 I HN 0.067 nan 8.210 nan 0.000 0.467 306 G N 2.235 111.034 108.800 -0.002 0.000 2.392 306 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.290 306 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.290 306 G C -0.273 174.626 174.900 -0.001 0.000 1.032 306 G CA -0.024 45.075 45.100 -0.001 0.000 1.269 306 G HN 0.325 nan 8.290 nan 0.000 0.511 307 M N -0.131 119.468 119.600 -0.001 0.000 2.644 307 M HA 0.566 5.046 4.480 -0.000 0.000 0.304 307 M C -0.110 176.189 176.300 -0.001 0.000 1.215 307 M CA -0.705 54.594 55.300 -0.002 0.000 0.871 307 M CB 2.390 34.989 32.600 -0.002 0.000 1.740 307 M HN 0.337 nan 8.290 nan 0.000 0.464 308 E N 1.244 121.443 120.200 -0.001 0.000 2.266 308 E HA 0.363 4.713 4.350 -0.000 0.000 0.268 308 E C 0.212 176.811 176.600 -0.002 0.000 0.879 308 E CA -0.560 55.839 56.400 -0.001 0.000 0.762 308 E CB 2.604 32.303 29.700 -0.001 0.000 1.199 308 E HN 0.613 nan 8.360 nan 0.000 0.422 309 L N 1.483 122.706 121.223 -0.000 0.000 2.013 309 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 309 L C 1.840 178.706 176.870 -0.006 0.000 1.073 309 L CA 1.546 56.385 54.840 -0.002 0.000 0.753 309 L CB -0.372 41.689 42.059 0.003 0.000 0.890 309 L HN 0.623 nan 8.230 nan 0.000 0.432 310 E N 0.371 120.568 120.200 -0.005 0.000 2.114 310 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 310 E C 0.854 177.447 176.600 -0.012 0.000 1.008 310 E CA 1.282 57.678 56.400 -0.008 0.000 0.810 310 E CB -0.120 29.576 29.700 -0.005 0.000 0.739 310 E HN 0.329 nan 8.360 nan 0.000 0.456 311 K N 0.453 120.847 120.400 -0.010 0.000 2.502 311 K HA 0.418 4.737 4.320 -0.000 0.000 0.244 311 K C -1.041 175.551 176.600 -0.013 0.000 1.249 311 K CA -0.165 56.115 56.287 -0.011 0.000 1.193 311 K CB 0.719 33.214 32.500 -0.008 0.000 1.674 311 K HN 0.011 nan 8.250 nan 0.000 0.302 312 A N 1.443 124.251 122.820 -0.020 0.000 2.446 312 A HA 0.285 4.605 4.320 -0.000 0.000 0.282 312 A C 0.076 177.636 177.584 -0.040 0.000 1.102 312 A CA -0.834 51.188 52.037 -0.024 0.000 0.737 312 A CB 0.614 19.601 19.000 -0.021 0.000 1.212 312 A HN 0.412 nan 8.150 nan 0.000 0.434 313 T N 0.333 114.863 114.554 -0.040 0.000 2.788 313 T HA 0.430 4.780 4.350 -0.000 0.000 0.287 313 T C 1.434 176.082 174.700 -0.087 0.000 1.007 313 T CA -0.461 61.604 62.100 -0.058 0.000 1.005 313 T CB 0.333 69.177 68.868 -0.041 0.000 1.012 313 T HN 0.430 nan 8.240 nan 0.000 0.530 314 L N 0.045 121.185 121.223 -0.137 0.000 2.089 314 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 314 L C 3.083 179.891 176.870 -0.103 0.000 1.079 314 L CA 1.921 56.617 54.840 -0.239 0.000 0.758 314 L CB -0.579 41.306 42.059 -0.290 0.000 0.891 314 L HN 0.890 nan 8.230 nan 0.000 0.433 315 E N -0.072 120.110 120.200 -0.031 0.000 2.118 315 E HA -0.262 4.087 4.350 -0.000 0.000 0.195 315 E C 1.585 178.205 176.600 0.034 0.000 0.992 315 E CA 1.497 57.911 56.400 0.024 0.000 0.804 315 E CB 0.080 29.787 29.700 0.013 0.000 0.741 315 E HN 0.525 nan 8.360 nan 0.000 0.458 316 D N 0.131 120.537 120.400 0.010 0.000 2.218 316 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 316 D C 0.378 176.702 176.300 0.039 0.000 0.976 316 D CA 0.425 54.434 54.000 0.016 0.000 0.853 316 D CB -0.067 40.733 40.800 -0.000 0.000 0.939 316 D HN 0.122 nan 8.370 nan 0.000 0.481 317 L N 1.226 122.482 121.223 0.056 0.000 2.453 317 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 317 L C 1.464 178.436 176.870 0.171 0.000 1.182 317 L CA 0.147 55.058 54.840 0.119 0.000 0.858 317 L CB 0.552 42.701 42.059 0.151 0.000 1.120 317 L HN -0.133 nan 8.230 nan 0.000 0.474 318 G N 2.466 111.343 108.800 0.128 0.000 2.651 318 G HA2 0.395 4.355 3.960 -0.000 0.000 0.260 318 G HA3 0.395 4.355 3.960 -0.000 0.000 0.260 318 G C -0.729 174.233 174.900 0.104 0.000 1.216 318 G CA -0.213 44.944 45.100 0.096 0.000 0.913 318 G HN 0.628 nan 8.290 nan 0.000 0.535 319 Q N -1.690 118.118 119.800 0.014 0.000 2.391 319 Q HA 0.592 4.932 4.340 -0.000 0.000 0.279 319 Q C -0.935 175.020 176.000 -0.074 0.000 1.028 319 Q CA -0.678 55.069 55.803 -0.092 0.000 0.836 319 Q CB 2.060 30.666 28.738 -0.220 0.000 1.414 319 Q HN 1.002 nan 8.270 nan 0.000 0.397 320 A N 1.892 124.655 122.820 -0.095 0.000 2.567 320 A HA 0.517 4.837 4.320 -0.000 0.000 0.289 320 A C -0.692 176.844 177.584 -0.080 0.000 1.177 320 A CA -0.570 51.429 52.037 -0.064 0.000 0.694 320 A CB 1.476 20.459 19.000 -0.028 0.000 1.292 320 A HN 0.766 nan 8.150 nan 0.000 0.425 321 K N -0.760 119.608 120.400 -0.054 0.000 2.314 321 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 321 K C 0.207 176.783 176.600 -0.040 0.000 1.045 321 K CA 0.820 57.077 56.287 -0.051 0.000 0.988 321 K CB 0.247 32.724 32.500 -0.037 0.000 0.783 321 K HN 0.495 nan 8.250 nan 0.000 0.484 322 R N -0.199 120.283 120.500 -0.030 0.000 2.644 322 R HA 0.166 4.506 4.340 -0.000 0.000 0.257 322 R C -1.882 174.410 176.300 -0.013 0.000 1.082 322 R CA -0.482 55.606 56.100 -0.020 0.000 0.927 322 R CB 2.084 32.375 30.300 -0.015 0.000 1.258 322 R HN -0.044 nan 8.270 nan 0.000 0.459 323 V N -0.081 119.827 119.914 -0.010 0.000 2.876 323 V HA 0.860 4.980 4.120 -0.000 0.000 0.312 323 V C -1.437 174.650 176.094 -0.012 0.000 1.085 323 V CA -0.535 61.760 62.300 -0.009 0.000 0.945 323 V CB 2.376 34.197 31.823 -0.004 0.000 1.017 323 V HN 0.416 nan 8.190 nan 0.000 0.428 324 V N 6.195 126.094 119.914 -0.023 0.000 2.482 324 V HA 0.570 4.690 4.120 -0.000 0.000 0.295 324 V C -0.355 175.712 176.094 -0.046 0.000 1.026 324 V CA -0.192 62.095 62.300 -0.022 0.000 0.856 324 V CB 1.399 33.209 31.823 -0.021 0.000 1.001 324 V HN 1.067 nan 8.190 nan 0.000 0.424 325 I N 3.098 123.660 120.570 -0.013 0.000 2.466 325 I HA 0.677 4.847 4.170 -0.000 0.000 0.289 325 I C -0.622 175.519 176.117 0.039 0.000 1.026 325 I CA -0.351 60.929 61.300 -0.032 0.000 1.078 325 I CB 2.022 40.002 38.000 -0.032 0.000 1.249 325 I HN 0.465 nan 8.210 nan 0.000 0.429 326 N N 5.559 124.218 118.700 -0.068 0.000 2.681 326 N HA 0.217 4.957 4.740 -0.000 0.000 0.311 326 N C 0.532 175.806 175.510 -0.394 0.000 1.303 326 N CA -0.744 52.267 53.050 -0.066 0.000 0.926 326 N CB 0.702 39.146 38.487 -0.072 0.000 1.136 326 N HN 0.665 nan 8.380 nan 0.000 0.592 327 K N 0.267 120.463 120.400 -0.340 0.000 2.103 327 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 327 K C -0.491 175.837 176.600 -0.454 0.000 1.048 327 K CA 2.032 58.005 56.287 -0.523 0.000 0.930 327 K CB -0.064 32.346 32.500 -0.151 0.000 0.716 327 K HN 0.573 nan 8.250 nan 0.000 0.444 328 D N -1.185 119.043 120.400 -0.286 0.000 2.822 328 D HA 0.109 4.749 4.640 -0.000 0.000 0.327 328 D C -1.106 175.079 176.300 -0.192 0.000 1.577 328 D CA -0.399 53.474 54.000 -0.212 0.000 0.785 328 D CB 1.174 41.895 40.800 -0.131 0.000 1.199 328 D HN -0.160 nan 8.370 nan 0.000 0.443 329 T N 0.278 114.692 114.554 -0.234 0.000 3.355 329 T HA 0.333 4.683 4.350 -0.000 0.000 0.324 329 T C -0.668 173.843 174.700 -0.315 0.000 0.932 329 T CA -0.417 61.532 62.100 -0.250 0.000 1.032 329 T CB 1.532 70.302 68.868 -0.163 0.000 1.027 329 T HN -0.096 nan 8.240 nan 0.000 0.456 330 T N 2.771 116.998 114.554 -0.545 0.000 2.889 330 T HA 0.658 5.008 4.350 -0.000 0.000 0.291 330 T C 0.131 174.511 174.700 -0.532 0.000 0.995 330 T CA -0.347 61.399 62.100 -0.591 0.000 1.092 330 T CB 1.328 69.677 68.868 -0.866 0.000 0.954 330 T HN 0.580 nan 8.240 nan 0.000 0.506 331 T N 2.680 117.088 114.554 -0.245 0.000 3.071 331 T HA 0.549 4.899 4.350 -0.000 0.000 0.311 331 T C -1.097 173.594 174.700 -0.015 0.000 1.042 331 T CA -0.667 61.375 62.100 -0.096 0.000 1.028 331 T CB 0.261 69.086 68.868 -0.072 0.000 1.068 331 T HN 0.436 nan 8.240 nan 0.000 0.451 332 I N 5.648 126.248 120.570 0.050 0.000 2.331 332 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 332 I C -0.062 176.072 176.117 0.028 0.000 0.998 332 I CA -0.731 60.599 61.300 0.049 0.000 1.267 332 I CB 1.397 39.448 38.000 0.086 0.000 1.386 332 I HN 0.565 nan 8.210 nan 0.000 0.476 333 I N 5.913 126.489 120.570 0.010 0.000 2.312 333 I HA 0.193 4.363 4.170 -0.000 0.000 0.290 333 I C -0.505 175.611 176.117 -0.003 0.000 1.008 333 I CA -0.224 61.078 61.300 0.002 0.000 1.226 333 I CB 0.785 38.782 38.000 -0.005 0.000 1.371 333 I HN 0.613 nan 8.210 nan 0.000 0.468 334 D N 4.878 125.277 120.400 -0.002 0.000 3.908 334 D HA -0.112 4.528 4.640 -0.000 0.000 0.237 334 D C 0.123 176.416 176.300 -0.012 0.000 1.091 334 D CA 0.967 54.962 54.000 -0.007 0.000 1.147 334 D CB -0.017 40.775 40.800 -0.012 0.000 0.857 334 D HN 0.766 nan 8.370 nan 0.000 0.410 335 G N 0.973 109.769 108.800 -0.007 0.000 2.476 335 G HA2 0.406 4.366 3.960 -0.000 0.000 0.269 335 G HA3 0.406 4.366 3.960 -0.000 0.000 0.269 335 G C 1.359 176.249 174.900 -0.016 0.000 1.195 335 G CA -0.472 44.621 45.100 -0.011 0.000 0.843 335 G HN 0.369 nan 8.290 nan 0.000 0.545 336 V N 1.697 121.598 119.914 -0.022 0.000 2.809 336 V HA 0.009 4.129 4.120 -0.000 0.000 0.256 336 V C 2.185 178.272 176.094 -0.011 0.000 1.080 336 V CA 1.135 63.421 62.300 -0.023 0.000 1.102 336 V CB -1.009 30.794 31.823 -0.033 0.000 0.705 336 V HN 0.834 nan 8.190 nan 0.000 0.475 337 G N 1.323 110.119 108.800 -0.006 0.000 2.150 337 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.250 337 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.250 337 G C -0.042 174.855 174.900 -0.004 0.000 1.179 337 G CA -0.117 44.981 45.100 -0.003 0.000 0.934 337 G HN 0.570 nan 8.290 nan 0.000 0.453 338 E N 2.100 122.299 120.200 -0.003 0.000 2.413 338 E HA 0.017 4.367 4.350 -0.000 0.000 0.263 338 E C 0.842 177.440 176.600 -0.004 0.000 1.015 338 E CA 0.085 56.483 56.400 -0.003 0.000 0.916 338 E CB 1.109 30.808 29.700 -0.002 0.000 0.947 338 E HN 0.690 nan 8.360 nan 0.000 0.440 339 E N 1.732 121.929 120.200 -0.004 0.000 2.409 339 E HA -0.189 4.161 4.350 -0.000 0.000 0.198 339 E C 1.643 178.240 176.600 -0.004 0.000 1.024 339 E CA 0.620 57.017 56.400 -0.005 0.000 0.861 339 E CB -0.014 29.683 29.700 -0.004 0.000 0.788 339 E HN 0.584 nan 8.360 nan 0.000 0.521 340 A N 1.710 124.528 122.820 -0.004 0.000 1.858 340 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 340 A C 2.417 179.998 177.584 -0.004 0.000 1.190 340 A CA 1.800 53.835 52.037 -0.004 0.000 0.617 340 A CB -0.666 18.332 19.000 -0.003 0.000 0.827 340 A HN 0.326 nan 8.150 nan 0.000 0.443 341 A N -0.478 122.339 122.820 -0.004 0.000 1.929 341 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 341 A C 2.123 179.703 177.584 -0.007 0.000 1.176 341 A CA 1.216 53.250 52.037 -0.005 0.000 0.628 341 A CB -0.538 18.460 19.000 -0.004 0.000 0.816 341 A HN 0.485 nan 8.150 nan 0.000 0.444 342 I N -0.817 119.749 120.570 -0.007 0.000 2.099 342 I HA -0.299 3.871 4.170 -0.000 0.000 0.239 342 I C 2.772 178.884 176.117 -0.009 0.000 1.066 342 I CA 1.866 63.162 61.300 -0.008 0.000 1.324 342 I CB -0.375 37.621 38.000 -0.007 0.000 1.037 342 I HN 0.322 nan 8.210 nan 0.000 0.401 343 Q N 1.228 121.024 119.800 -0.007 0.000 2.152 343 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 343 Q C 1.999 177.994 176.000 -0.008 0.000 0.985 343 Q CA 2.140 57.939 55.803 -0.007 0.000 0.863 343 Q CB -0.846 27.889 28.738 -0.006 0.000 0.904 343 Q HN 0.545 nan 8.270 nan 0.000 0.422 344 G N -0.163 108.632 108.800 -0.008 0.000 2.434 344 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.214 344 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.214 344 G C 1.511 176.404 174.900 -0.011 0.000 1.202 344 G CA 0.856 45.951 45.100 -0.008 0.000 0.788 344 G HN 0.373 nan 8.290 nan 0.000 0.539 345 R N 0.306 120.799 120.500 -0.012 0.000 2.159 345 R HA -0.019 4.321 4.340 -0.000 0.000 0.237 345 R C 2.404 178.694 176.300 -0.017 0.000 1.131 345 R CA 1.461 57.552 56.100 -0.015 0.000 0.982 345 R CB -0.818 29.471 30.300 -0.017 0.000 0.868 345 R HN 0.260 nan 8.270 nan 0.000 0.453 346 V N 0.295 120.200 119.914 -0.015 0.000 2.453 346 V HA -0.068 4.052 4.120 -0.000 0.000 0.247 346 V C 2.191 178.277 176.094 -0.014 0.000 1.048 346 V CA 1.657 63.949 62.300 -0.015 0.000 1.049 346 V CB -0.675 31.141 31.823 -0.013 0.000 0.672 346 V HN 0.506 nan 8.190 nan 0.000 0.457 347 A N -1.075 121.738 122.820 -0.012 0.000 2.168 347 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 347 A C 2.134 179.711 177.584 -0.012 0.000 1.152 347 A CA 1.230 53.261 52.037 -0.011 0.000 0.716 347 A CB -0.260 18.735 19.000 -0.009 0.000 0.794 347 A HN 0.638 nan 8.150 nan 0.000 0.465 348 Q N -0.631 119.160 119.800 -0.014 0.000 2.107 348 Q HA 0.124 4.464 4.340 -0.000 0.000 0.195 348 Q C 1.631 177.620 176.000 -0.018 0.000 0.964 348 Q CA 1.035 56.829 55.803 -0.016 0.000 0.833 348 Q CB -0.144 28.584 28.738 -0.017 0.000 0.910 348 Q HN 0.710 nan 8.270 nan 0.000 0.465 349 I N 0.797 121.354 120.570 -0.021 0.000 3.176 349 I HA -0.162 4.008 4.170 -0.000 0.000 0.275 349 I C 2.239 178.343 176.117 -0.023 0.000 1.298 349 I CA 0.386 61.670 61.300 -0.025 0.000 1.445 349 I CB -0.126 37.856 38.000 -0.030 0.000 1.075 349 I HN 0.090 nan 8.210 nan 0.000 0.482 350 R N 1.606 122.095 120.500 -0.018 0.000 2.073 350 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 350 R C 2.005 178.297 176.300 -0.014 0.000 1.134 350 R CA 1.729 57.820 56.100 -0.015 0.000 0.952 350 R CB -0.099 30.194 30.300 -0.012 0.000 0.850 350 R HN 0.393 nan 8.270 nan 0.000 0.433 351 Q N -0.648 119.144 119.800 -0.014 0.000 2.392 351 Q HA 0.039 4.379 4.340 -0.000 0.000 0.203 351 Q C 1.683 177.675 176.000 -0.014 0.000 0.917 351 Q CA 0.156 55.952 55.803 -0.012 0.000 0.939 351 Q CB 0.547 29.279 28.738 -0.010 0.000 1.063 351 Q HN 0.360 nan 8.270 nan 0.000 0.516 352 Q N 0.474 120.263 119.800 -0.019 0.000 2.124 352 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 352 Q C 1.990 177.977 176.000 -0.022 0.000 0.977 352 Q CA 1.208 56.998 55.803 -0.023 0.000 0.850 352 Q CB -0.025 28.695 28.738 -0.030 0.000 0.901 352 Q HN 0.511 nan 8.270 nan 0.000 0.429 353 I N 0.954 121.511 120.570 -0.021 0.000 2.353 353 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 353 I C 2.086 178.197 176.117 -0.011 0.000 1.119 353 I CA 0.712 62.000 61.300 -0.019 0.000 1.417 353 I CB -0.312 37.677 38.000 -0.019 0.000 1.078 353 I HN 0.030 nan 8.210 nan 0.000 0.421 354 E N 1.621 121.816 120.200 -0.009 0.000 2.085 354 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 354 E C 1.423 178.021 176.600 -0.002 0.000 0.994 354 E CA 1.410 57.807 56.400 -0.004 0.000 0.801 354 E CB -0.300 29.398 29.700 -0.004 0.000 0.743 354 E HN 0.658 nan 8.360 nan 0.000 0.453 355 E N 0.148 120.345 120.200 -0.005 0.000 2.501 355 E HA 0.307 4.656 4.350 -0.000 0.000 0.200 355 E C -0.072 176.526 176.600 -0.003 0.000 1.016 355 E CA -0.074 56.324 56.400 -0.003 0.000 0.921 355 E CB 0.804 30.502 29.700 -0.004 0.000 1.034 355 E HN 0.038 nan 8.360 nan 0.000 0.468 356 A N 1.877 124.694 122.820 -0.005 0.000 2.545 356 A HA 0.082 4.402 4.320 -0.000 0.000 0.297 356 A C 1.325 178.912 177.584 0.006 0.000 1.340 356 A CA -0.224 51.811 52.037 -0.004 0.000 1.016 356 A CB -0.555 18.437 19.000 -0.014 0.000 1.122 356 A HN 0.252 nan 8.150 nan 0.000 0.537 357 T N -0.280 114.280 114.554 0.010 0.000 3.163 357 T HA 0.129 4.479 4.350 -0.000 0.000 0.260 357 T C 0.843 175.557 174.700 0.023 0.000 1.156 357 T CA 0.869 62.978 62.100 0.015 0.000 1.072 357 T CB -0.160 68.716 68.868 0.013 0.000 0.937 357 T HN 0.413 nan 8.240 nan 0.000 0.528 358 S N -0.627 115.091 115.700 0.029 0.000 2.751 358 S HA 0.419 4.889 4.470 -0.000 0.000 0.310 358 S C 0.208 174.838 174.600 0.049 0.000 1.128 358 S CA -0.751 57.477 58.200 0.047 0.000 0.931 358 S CB 1.761 65.004 63.200 0.071 0.000 1.177 358 S HN 0.146 nan 8.310 nan 0.000 0.530 359 D N -0.222 120.221 120.400 0.073 0.000 2.323 359 D HA 0.049 4.689 4.640 -0.000 0.000 0.218 359 D C 1.216 177.575 176.300 0.097 0.000 0.973 359 D CA 0.721 54.766 54.000 0.074 0.000 0.890 359 D CB -0.047 40.798 40.800 0.075 0.000 1.011 359 D HN 0.589 nan 8.370 nan 0.000 0.499 360 Y N 1.897 122.203 120.300 0.010 0.000 2.337 360 Y HA -0.080 4.470 4.550 -0.000 0.000 0.293 360 Y C 0.974 176.875 175.900 0.003 0.000 1.123 360 Y CA 1.351 59.456 58.100 0.010 0.000 1.201 360 Y CB 0.029 38.496 38.460 0.012 0.000 1.011 360 Y HN -0.203 nan 8.280 nan 0.000 0.545 361 D N -0.251 120.132 120.400 -0.029 0.000 2.392 361 D HA -0.045 4.595 4.640 -0.000 0.000 0.228 361 D C 1.894 178.125 176.300 -0.116 0.000 1.003 361 D CA 0.527 54.465 54.000 -0.102 0.000 0.917 361 D CB 0.005 40.807 40.800 0.004 0.000 0.890 361 D HN 0.334 nan 8.370 nan 0.000 0.532 362 R N 0.115 120.553 120.500 -0.104 0.000 2.164 362 R HA 0.002 4.342 4.340 -0.000 0.000 0.198 362 R C 1.505 177.750 176.300 -0.092 0.000 1.028 362 R CA 0.214 56.272 56.100 -0.070 0.000 1.083 362 R CB 0.399 30.684 30.300 -0.025 0.000 1.026 362 R HN -0.008 nan 8.270 nan 0.000 0.514 363 E N 1.580 121.706 120.200 -0.123 0.000 2.023 363 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 363 E C 1.663 178.184 176.600 -0.133 0.000 1.003 363 E CA 1.178 57.510 56.400 -0.114 0.000 0.809 363 E CB -0.160 29.470 29.700 -0.116 0.000 0.755 363 E HN 0.203 nan 8.360 nan 0.000 0.449 364 K N 0.891 121.162 120.400 -0.215 0.000 2.063 364 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 364 K C 2.534 179.064 176.600 -0.117 0.000 1.048 364 K CA 0.749 56.928 56.287 -0.179 0.000 0.928 364 K CB -0.631 31.718 32.500 -0.251 0.000 0.713 364 K HN 0.195 nan 8.250 nan 0.000 0.442 365 L N 1.143 122.298 121.223 -0.112 0.000 2.017 365 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 365 L C 2.665 179.500 176.870 -0.058 0.000 1.073 365 L CA 1.351 56.145 54.840 -0.077 0.000 0.745 365 L CB -0.524 41.494 42.059 -0.068 0.000 0.894 365 L HN 0.219 nan 8.230 nan 0.000 0.432 366 Q N -0.254 119.513 119.800 -0.056 0.000 2.170 366 Q HA -0.221 4.119 4.340 -0.000 0.000 0.203 366 Q C 2.106 178.084 176.000 -0.037 0.000 0.976 366 Q CA 1.368 57.146 55.803 -0.041 0.000 0.858 366 Q CB -0.083 28.632 28.738 -0.038 0.000 0.907 366 Q HN 0.514 nan 8.270 nan 0.000 0.433 367 E N 0.659 120.833 120.200 -0.043 0.000 2.023 367 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 367 E C 2.077 178.662 176.600 -0.026 0.000 1.003 367 E CA 1.018 57.400 56.400 -0.031 0.000 0.809 367 E CB -0.032 29.648 29.700 -0.034 0.000 0.755 367 E HN 0.253 nan 8.360 nan 0.000 0.449 368 R N 0.375 120.853 120.500 -0.036 0.000 2.103 368 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 368 R C 2.701 178.984 176.300 -0.027 0.000 1.142 368 R CA 1.660 57.739 56.100 -0.035 0.000 0.960 368 R CB -0.831 29.440 30.300 -0.049 0.000 0.858 368 R HN 0.251 nan 8.270 nan 0.000 0.439 369 V N -1.197 118.700 119.914 -0.028 0.000 2.324 369 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 369 V C 2.195 178.280 176.094 -0.016 0.000 1.060 369 V CA 2.022 64.308 62.300 -0.022 0.000 1.042 369 V CB -0.920 30.890 31.823 -0.023 0.000 0.650 369 V HN 0.303 nan 8.190 nan 0.000 0.450 370 A N 0.282 123.093 122.820 -0.014 0.000 1.929 370 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 370 A C 2.286 179.869 177.584 -0.002 0.000 1.176 370 A CA 1.703 53.735 52.037 -0.009 0.000 0.628 370 A CB -0.544 18.450 19.000 -0.009 0.000 0.816 370 A HN 0.608 nan 8.150 nan 0.000 0.444 371 K N -0.664 119.737 120.400 0.001 0.000 2.283 371 K HA 0.059 4.379 4.320 -0.000 0.000 0.202 371 K C 1.371 177.975 176.600 0.008 0.000 1.048 371 K CA 0.940 57.234 56.287 0.013 0.000 0.948 371 K CB -0.166 32.347 32.500 0.021 0.000 0.742 371 K HN 0.466 nan 8.250 nan 0.000 0.458 372 L N -1.157 120.064 121.223 -0.003 0.000 2.425 372 L HA 0.137 4.477 4.340 -0.000 0.000 0.215 372 L C 1.890 178.757 176.870 -0.005 0.000 1.065 372 L CA 0.240 55.076 54.840 -0.006 0.000 0.842 372 L CB 0.075 42.126 42.059 -0.014 0.000 1.033 372 L HN 0.067 nan 8.230 nan 0.000 0.474 373 A N -0.044 122.772 122.820 -0.006 0.000 2.453 373 A HA 0.509 4.829 4.320 -0.000 0.000 0.225 373 A C 1.590 179.172 177.584 -0.004 0.000 2.127 373 A CA 0.711 52.744 52.037 -0.006 0.000 0.864 373 A CB -1.201 17.794 19.000 -0.008 0.000 1.440 373 A HN 0.219 nan 8.150 nan 0.000 0.566 374 G N -1.143 107.655 108.800 -0.004 0.000 3.229 374 G HA2 0.461 4.421 3.960 -0.000 0.000 0.165 374 G HA3 0.461 4.421 3.960 -0.000 0.000 0.165 374 G C 0.380 175.279 174.900 -0.001 0.000 1.753 374 G CA 0.293 45.391 45.100 -0.004 0.000 1.054 374 G HN 1.187 nan 8.290 nan 0.000 0.544 375 G N -2.274 106.524 108.800 -0.002 0.000 2.680 375 G HA2 0.521 4.481 3.960 -0.000 0.000 0.290 375 G HA3 0.521 4.481 3.960 -0.000 0.000 0.290 375 G C -1.806 173.093 174.900 -0.002 0.000 1.355 375 G CA -0.351 44.749 45.100 -0.000 0.000 0.903 375 G HN 0.630 nan 8.290 nan 0.000 0.474 376 V N 0.231 120.146 119.914 0.000 0.000 2.459 376 V HA 0.755 4.875 4.120 -0.000 0.000 0.295 376 V C 0.313 176.405 176.094 -0.003 0.000 1.029 376 V CA -0.577 61.723 62.300 -0.001 0.000 0.874 376 V CB 1.143 32.969 31.823 0.005 0.000 0.985 376 V HN 1.158 nan 8.190 nan 0.000 0.438 377 A N 4.365 127.181 122.820 -0.006 0.000 2.365 377 A HA 0.898 5.218 4.320 -0.000 0.000 0.318 377 A C -1.002 176.577 177.584 -0.008 0.000 1.091 377 A CA -0.587 51.446 52.037 -0.007 0.000 0.763 377 A CB 1.837 20.831 19.000 -0.009 0.000 1.248 377 A HN 0.635 nan 8.150 nan 0.000 0.442 378 V N 3.267 123.177 119.914 -0.006 0.000 2.495 378 V HA 0.407 4.527 4.120 -0.000 0.000 0.298 378 V C -0.380 175.711 176.094 -0.004 0.000 1.031 378 V CA -0.248 62.049 62.300 -0.005 0.000 0.871 378 V CB 1.536 33.358 31.823 -0.003 0.000 0.988 378 V HN 0.790 nan 8.190 nan 0.000 0.432 379 I N 4.665 125.233 120.570 -0.004 0.000 2.392 379 I HA 0.420 4.590 4.170 -0.000 0.000 0.295 379 I C -0.060 176.057 176.117 0.001 0.000 0.985 379 I CA -0.474 60.825 61.300 -0.002 0.000 1.221 379 I CB 1.494 39.493 38.000 -0.002 0.000 1.366 379 I HN 0.519 nan 8.210 nan 0.000 0.467 380 K N 5.883 126.284 120.400 0.001 0.000 2.293 380 K HA 0.458 4.778 4.320 -0.000 0.000 0.267 380 K C -1.056 175.546 176.600 0.004 0.000 1.010 380 K CA -0.684 55.605 56.287 0.003 0.000 0.875 380 K CB 1.748 34.249 32.500 0.002 0.000 1.106 380 K HN 0.276 nan 8.250 nan 0.000 0.450 381 V N 2.121 122.039 119.914 0.006 0.000 2.508 381 V HA 0.266 4.386 4.120 -0.000 0.000 0.281 381 V C 0.878 176.975 176.094 0.006 0.000 1.041 381 V CA -0.751 61.553 62.300 0.007 0.000 1.016 381 V CB 0.884 32.714 31.823 0.010 0.000 0.984 381 V HN 0.879 nan 8.190 nan 0.000 0.478 382 G N 2.843 111.646 108.800 0.005 0.000 2.367 382 G HA2 0.736 4.696 3.960 -0.000 0.000 0.314 382 G HA3 0.736 4.696 3.960 -0.000 0.000 0.314 382 G C -0.487 174.415 174.900 0.004 0.000 1.130 382 G CA -0.011 45.091 45.100 0.004 0.000 0.864 382 G HN 1.322 nan 8.290 nan 0.000 0.486 383 A N 0.372 123.194 122.820 0.004 0.000 2.589 383 A HA 0.748 5.068 4.320 -0.000 0.000 0.296 383 A C 0.680 178.266 177.584 0.003 0.000 1.062 383 A CA 0.280 52.319 52.037 0.004 0.000 0.686 383 A CB 0.996 19.999 19.000 0.005 0.000 1.282 383 A HN 1.723 nan 8.150 nan 0.000 0.404 384 A N 0.727 123.548 122.820 0.002 0.000 1.898 384 A HA 0.338 4.658 4.320 -0.000 0.000 0.216 384 A C 1.417 179.003 177.584 0.003 0.000 1.181 384 A CA 2.405 54.443 52.037 0.002 0.000 0.620 384 A CB -0.679 18.322 19.000 0.001 0.000 0.819 384 A HN 1.798 nan 8.150 nan 0.000 0.442 385 T N -4.559 109.996 114.554 0.003 0.000 2.870 385 T HA 0.525 4.875 4.350 -0.000 0.000 0.277 385 T C 0.556 175.259 174.700 0.006 0.000 1.000 385 T CA -0.118 61.984 62.100 0.004 0.000 0.982 385 T CB 1.737 70.606 68.868 0.002 0.000 1.249 385 T HN 0.198 nan 8.240 nan 0.000 0.589 386 E N -0.436 119.768 120.200 0.007 0.000 2.140 386 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 386 E C 2.186 178.791 176.600 0.009 0.000 0.973 386 E CA 0.546 56.952 56.400 0.010 0.000 0.829 386 E CB -0.030 29.677 29.700 0.012 0.000 0.781 386 E HN 0.553 nan 8.360 nan 0.000 0.466 387 V N 0.624 120.540 119.914 0.005 0.000 2.568 387 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 387 V C 2.103 178.199 176.094 0.002 0.000 1.072 387 V CA 1.804 64.105 62.300 0.001 0.000 1.084 387 V CB -0.549 31.273 31.823 -0.003 0.000 0.676 387 V HN 0.201 nan 8.190 nan 0.000 0.469 388 E N -0.409 119.793 120.200 0.004 0.000 2.075 388 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 388 E C 2.098 178.702 176.600 0.007 0.000 0.969 388 E CA 0.996 57.399 56.400 0.004 0.000 0.815 388 E CB -0.043 29.659 29.700 0.003 0.000 0.776 388 E HN 0.499 nan 8.360 nan 0.000 0.457 389 M N 1.676 121.281 119.600 0.008 0.000 2.082 389 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 389 M C 1.906 178.214 176.300 0.014 0.000 1.071 389 M CA 1.784 57.090 55.300 0.011 0.000 1.103 389 M CB -0.187 32.420 32.600 0.012 0.000 1.307 389 M HN -0.132 nan 8.290 nan 0.000 0.409 390 K N -0.405 120.005 120.400 0.015 0.000 2.000 390 K HA -0.291 4.029 4.320 -0.000 0.000 0.218 390 K C 1.993 178.603 176.600 0.016 0.000 1.053 390 K CA 2.344 58.642 56.287 0.018 0.000 0.946 390 K CB -0.542 31.969 32.500 0.019 0.000 0.723 390 K HN 0.536 nan 8.250 nan 0.000 0.446 391 E N 1.477 121.684 120.200 0.011 0.000 2.051 391 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 391 E C 1.900 178.508 176.600 0.012 0.000 0.991 391 E CA 1.950 58.356 56.400 0.010 0.000 0.799 391 E CB -0.123 29.580 29.700 0.005 0.000 0.748 391 E HN 0.113 nan 8.360 nan 0.000 0.449 392 K N 0.830 121.237 120.400 0.011 0.000 2.057 392 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 392 K C 2.170 178.780 176.600 0.017 0.000 1.049 392 K CA 1.829 58.123 56.287 0.012 0.000 0.931 392 K CB -0.233 32.272 32.500 0.009 0.000 0.714 392 K HN 0.127 nan 8.250 nan 0.000 0.440 393 K N -0.216 120.195 120.400 0.018 0.000 2.009 393 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 393 K C 2.014 178.633 176.600 0.031 0.000 1.049 393 K CA 1.520 57.821 56.287 0.023 0.000 0.929 393 K CB -0.416 32.098 32.500 0.024 0.000 0.714 393 K HN 0.248 nan 8.250 nan 0.000 0.440 394 A N 1.445 124.284 122.820 0.031 0.000 1.903 394 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 394 A C 2.135 179.742 177.584 0.039 0.000 1.191 394 A CA 1.970 54.028 52.037 0.035 0.000 0.638 394 A CB -0.623 18.392 19.000 0.025 0.000 0.823 394 A HN 0.364 nan 8.150 nan 0.000 0.451 395 R N -0.886 119.631 120.500 0.029 0.000 2.070 395 R HA -0.093 4.247 4.340 -0.000 0.000 0.233 395 R C 2.128 178.452 176.300 0.039 0.000 1.137 395 R CA 1.581 57.699 56.100 0.030 0.000 0.945 395 R CB -0.699 29.613 30.300 0.020 0.000 0.845 395 R HN 0.412 nan 8.270 nan 0.000 0.430 396 V N 1.575 121.509 119.914 0.033 0.000 2.252 396 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 396 V C 2.277 178.400 176.094 0.048 0.000 1.056 396 V CA 1.880 64.200 62.300 0.032 0.000 1.022 396 V CB -0.582 31.254 31.823 0.022 0.000 0.641 396 V HN 0.346 nan 8.190 nan 0.000 0.445 397 E N 0.087 120.325 120.200 0.064 0.000 2.048 397 E HA -0.338 4.012 4.350 -0.000 0.000 0.202 397 E C 2.024 178.763 176.600 0.232 0.000 1.021 397 E CA 2.202 58.670 56.400 0.113 0.000 0.825 397 E CB -0.558 29.214 29.700 0.119 0.000 0.756 397 E HN 0.715 nan 8.360 nan 0.000 0.454 398 D N -0.262 120.240 120.400 0.172 0.000 2.154 398 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 398 D C 1.777 178.164 176.300 0.147 0.000 1.003 398 D CA 2.334 56.416 54.000 0.137 0.000 0.849 398 D CB -0.077 40.759 40.800 0.060 0.000 0.942 398 D HN 0.243 nan 8.370 nan 0.000 0.446 399 A N -0.155 122.722 122.820 0.095 0.000 1.930 399 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 399 A C 2.109 179.729 177.584 0.061 0.000 1.176 399 A CA 0.385 52.463 52.037 0.068 0.000 0.632 399 A CB -0.580 18.444 19.000 0.039 0.000 0.819 399 A HN 0.334 nan 8.150 nan 0.000 0.445 400 L N -0.126 121.122 121.223 0.042 0.000 2.034 400 L HA -0.293 4.047 4.340 -0.000 0.000 0.217 400 L C 2.307 179.152 176.870 -0.042 0.000 1.077 400 L CA 2.757 57.583 54.840 -0.024 0.000 0.769 400 L CB -1.280 40.733 42.059 -0.075 0.000 0.890 400 L HN 0.580 nan 8.230 nan 0.000 0.435 401 H N -0.866 118.212 119.070 0.013 0.000 2.293 401 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 401 H C 2.201 177.539 175.328 0.015 0.000 1.082 401 H CA 1.858 57.915 56.048 0.015 0.000 1.308 401 H CB -0.107 29.666 29.762 0.018 0.000 1.375 401 H HN 0.487 nan 8.280 nan 0.000 0.495 402 A N 0.240 123.153 122.820 0.154 0.000 1.902 402 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 402 A C 2.529 180.147 177.584 0.057 0.000 1.181 402 A CA 2.263 54.353 52.037 0.089 0.000 0.623 402 A CB -1.230 17.809 19.000 0.064 0.000 0.818 402 A HN 0.640 nan 8.150 nan 0.000 0.443 403 T N -1.630 112.949 114.554 0.042 0.000 2.652 403 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 403 T C 1.879 176.591 174.700 0.019 0.000 1.039 403 T CA 1.314 63.427 62.100 0.022 0.000 1.153 403 T CB -0.543 68.332 68.868 0.010 0.000 0.863 403 T HN 0.446 nan 8.240 nan 0.000 0.428 404 R N 1.641 122.149 120.500 0.013 0.000 2.211 404 R HA 0.028 4.368 4.340 -0.000 0.000 0.240 404 R C 2.644 178.960 176.300 0.026 0.000 1.144 404 R CA 1.320 57.425 56.100 0.008 0.000 0.992 404 R CB -0.898 29.395 30.300 -0.010 0.000 0.869 404 R HN 0.676 nan 8.270 nan 0.000 0.462 405 A N 0.644 123.488 122.820 0.041 0.000 1.924 405 A HA 0.194 4.514 4.320 -0.000 0.000 0.211 405 A C 2.349 179.952 177.584 0.030 0.000 1.198 405 A CA 0.826 52.889 52.037 0.044 0.000 0.657 405 A CB -0.314 18.721 19.000 0.058 0.000 0.852 405 A HN 0.268 nan 8.150 nan 0.000 0.454 406 A N -0.298 122.538 122.820 0.027 0.000 1.940 406 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 406 A C 2.185 179.778 177.584 0.015 0.000 1.176 406 A CA 1.966 54.015 52.037 0.020 0.000 0.631 406 A CB -0.880 18.131 19.000 0.018 0.000 0.814 406 A HN 0.376 nan 8.150 nan 0.000 0.446 407 V N 0.806 120.729 119.914 0.014 0.000 2.453 407 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 407 V C 2.475 178.575 176.094 0.010 0.000 1.048 407 V CA 2.216 64.522 62.300 0.010 0.000 1.049 407 V CB -0.699 31.128 31.823 0.006 0.000 0.672 407 V HN 0.927 nan 8.190 nan 0.000 0.457 408 E N -0.275 119.933 120.200 0.013 0.000 2.385 408 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 408 E C 1.728 178.335 176.600 0.012 0.000 1.013 408 E CA 0.995 57.402 56.400 0.012 0.000 0.866 408 E CB 0.125 29.834 29.700 0.015 0.000 0.832 408 E HN 0.648 nan 8.360 nan 0.000 0.500 409 E N 0.025 120.233 120.200 0.014 0.000 2.665 409 E HA 0.220 4.569 4.350 -0.000 0.000 0.225 409 E C 0.216 176.822 176.600 0.011 0.000 0.922 409 E CA 0.358 56.765 56.400 0.012 0.000 1.242 409 E CB 1.153 30.861 29.700 0.013 0.000 1.197 409 E HN 0.318 nan 8.360 nan 0.000 0.581 410 G N 0.249 109.056 108.800 0.012 0.000 2.610 410 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.304 410 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.304 410 G C -0.581 174.327 174.900 0.013 0.000 1.309 410 G CA -0.535 44.571 45.100 0.011 0.000 0.906 410 G HN 0.671 nan 8.290 nan 0.000 0.521 411 V N -2.755 117.167 119.914 0.012 0.000 3.040 411 V HA 0.998 5.118 4.120 -0.000 0.000 0.312 411 V C 0.600 176.703 176.094 0.014 0.000 1.115 411 V CA 0.044 62.352 62.300 0.014 0.000 0.998 411 V CB 1.158 32.989 31.823 0.013 0.000 1.042 411 V HN 2.513 nan 8.190 nan 0.000 0.433 412 V N -1.361 118.562 119.914 0.015 0.000 3.182 412 V HA 1.014 5.134 4.120 -0.000 0.000 0.308 412 V C 0.275 176.380 176.094 0.019 0.000 1.240 412 V CA -0.702 61.608 62.300 0.017 0.000 1.063 412 V CB 1.431 33.264 31.823 0.016 0.000 1.076 412 V HN 2.071 nan 8.190 nan 0.000 0.446 413 A N 0.975 123.809 122.820 0.023 0.000 2.444 413 A HA 0.690 5.010 4.320 -0.000 0.000 0.273 413 A C 0.838 178.436 177.584 0.023 0.000 1.136 413 A CA 0.539 52.591 52.037 0.026 0.000 0.799 413 A CB -0.622 18.400 19.000 0.036 0.000 1.081 413 A HN 1.973 nan 8.150 nan 0.000 0.509 414 G N 1.075 109.885 108.800 0.017 0.000 2.525 414 G HA2 0.496 4.456 3.960 -0.000 0.000 0.276 414 G HA3 0.496 4.456 3.960 -0.000 0.000 0.276 414 G C 1.169 176.081 174.900 0.021 0.000 1.388 414 G CA 0.015 45.125 45.100 0.017 0.000 1.050 414 G HN 2.215 nan 8.290 nan 0.000 0.520 415 G N -2.365 106.449 108.800 0.022 0.000 2.153 415 G HA2 0.221 4.181 3.960 -0.000 0.000 0.252 415 G HA3 0.221 4.181 3.960 -0.000 0.000 0.252 415 G C 1.459 176.385 174.900 0.043 0.000 0.994 415 G CA 1.076 46.199 45.100 0.037 0.000 0.698 415 G HN 2.530 nan 8.290 nan 0.000 0.521 416 G N -2.329 106.491 108.800 0.033 0.000 2.160 416 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.251 416 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.251 416 G C 1.707 176.629 174.900 0.037 0.000 1.008 416 G CA 1.667 46.786 45.100 0.032 0.000 0.724 416 G HN 2.079 nan 8.290 nan 0.000 0.514 417 V N -0.094 119.844 119.914 0.040 0.000 2.283 417 V HA 0.244 4.364 4.120 -0.000 0.000 0.243 417 V C 2.947 179.066 176.094 0.041 0.000 1.039 417 V CA 2.540 64.868 62.300 0.047 0.000 1.016 417 V CB -0.672 31.183 31.823 0.054 0.000 0.650 417 V HN 1.509 nan 8.190 nan 0.000 0.449 418 A N 0.416 123.256 122.820 0.034 0.000 1.881 418 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 418 A C 2.196 179.795 177.584 0.024 0.000 1.215 418 A CA 2.688 54.741 52.037 0.028 0.000 0.648 418 A CB -1.112 17.901 19.000 0.022 0.000 0.832 418 A HN 0.561 nan 8.150 nan 0.000 0.455 419 L N -1.017 120.219 121.223 0.022 0.000 2.012 419 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 419 L C 2.428 179.310 176.870 0.021 0.000 1.073 419 L CA 1.952 56.803 54.840 0.018 0.000 0.748 419 L CB -0.865 41.204 42.059 0.016 0.000 0.891 419 L HN 0.508 nan 8.230 nan 0.000 0.431 420 I N -1.257 119.330 120.570 0.027 0.000 2.361 420 I HA -0.286 3.884 4.170 -0.000 0.000 0.251 420 I C 2.519 178.654 176.117 0.030 0.000 1.133 420 I CA 0.969 62.286 61.300 0.029 0.000 1.413 420 I CB -0.152 37.870 38.000 0.037 0.000 1.073 420 I HN 0.212 nan 8.210 nan 0.000 0.424 421 R N -0.148 120.372 120.500 0.034 0.000 2.057 421 R HA -0.075 4.265 4.340 -0.000 0.000 0.229 421 R C 2.376 178.689 176.300 0.022 0.000 1.136 421 R CA 1.722 57.841 56.100 0.032 0.000 0.952 421 R CB -1.455 28.867 30.300 0.036 0.000 0.848 421 R HN 0.448 nan 8.270 nan 0.000 0.430 422 V N 0.658 120.583 119.914 0.018 0.000 2.594 422 V HA -0.096 4.024 4.120 -0.000 0.000 0.253 422 V C 2.117 178.217 176.094 0.010 0.000 1.069 422 V CA 1.999 64.306 62.300 0.012 0.000 1.082 422 V CB -0.651 31.176 31.823 0.008 0.000 0.680 422 V HN 0.241 nan 8.190 nan 0.000 0.469 423 A N 1.169 123.996 122.820 0.012 0.000 1.978 423 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 423 A C 2.541 180.131 177.584 0.010 0.000 1.170 423 A CA 2.449 54.492 52.037 0.011 0.000 0.636 423 A CB -0.909 18.098 19.000 0.012 0.000 0.810 423 A HN 1.040 nan 8.150 nan 0.000 0.448 424 S N -0.783 114.924 115.700 0.013 0.000 2.470 424 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 424 S C 1.631 176.236 174.600 0.008 0.000 1.006 424 S CA 0.937 59.143 58.200 0.011 0.000 0.934 424 S CB -0.128 63.079 63.200 0.013 0.000 0.778 424 S HN 0.551 nan 8.310 nan 0.000 0.517 425 K N 1.071 121.476 120.400 0.009 0.000 2.211 425 K HA 0.204 4.524 4.320 -0.000 0.000 0.203 425 K C 1.137 177.740 176.600 0.004 0.000 1.050 425 K CA 0.884 57.174 56.287 0.006 0.000 0.945 425 K CB -0.267 32.237 32.500 0.007 0.000 0.732 425 K HN 0.419 nan 8.250 nan 0.000 0.451 426 L N -0.390 120.836 121.223 0.004 0.000 2.700 426 L HA 0.248 4.588 4.340 -0.000 0.000 0.234 426 L C 1.733 178.604 176.870 0.003 0.000 1.156 426 L CA -0.287 54.555 54.840 0.003 0.000 0.946 426 L CB 0.064 42.124 42.059 0.002 0.000 1.216 426 L HN 0.039 nan 8.230 nan 0.000 0.493 427 A N 0.184 123.006 122.820 0.003 0.000 2.084 427 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 427 A C 1.572 179.158 177.584 0.002 0.000 1.161 427 A CA 1.857 53.896 52.037 0.003 0.000 0.653 427 A CB -0.251 18.750 19.000 0.003 0.000 0.802 427 A HN 0.357 nan 8.150 nan 0.000 0.457 428 D N -1.445 118.956 120.400 0.002 0.000 2.369 428 D HA 0.192 4.832 4.640 -0.000 0.000 0.211 428 D C 0.049 176.350 176.300 0.001 0.000 1.077 428 D CA -0.269 53.732 54.000 0.001 0.000 0.842 428 D CB -0.001 40.799 40.800 0.001 0.000 0.947 428 D HN 0.284 nan 8.370 nan 0.000 0.509 429 L N 1.632 122.856 121.223 0.001 0.000 2.456 429 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 429 L C 0.304 177.175 176.870 0.001 0.000 1.189 429 L CA 0.614 55.455 54.840 0.001 0.000 0.846 429 L CB 0.159 42.219 42.059 0.001 0.000 1.111 429 L HN -0.165 nan 8.230 nan 0.000 0.475 430 R N 2.644 123.145 120.500 0.001 0.000 2.774 430 R HA 0.675 5.015 4.340 -0.000 0.000 0.272 430 R C -0.386 175.915 176.300 0.001 0.000 1.000 430 R CA -0.554 55.547 56.100 0.001 0.000 0.906 430 R CB 1.666 31.967 30.300 0.001 0.000 1.227 430 R HN 0.797 nan 8.270 nan 0.000 0.468 431 G N -0.249 108.552 108.800 0.002 0.000 2.938 431 G HA2 0.197 4.157 3.960 -0.000 0.000 0.258 431 G HA3 0.197 4.157 3.960 -0.000 0.000 0.258 431 G C 0.141 175.042 174.900 0.002 0.000 1.356 431 G CA -0.414 44.687 45.100 0.002 0.000 1.052 431 G HN 0.477 nan 8.290 nan 0.000 0.550 432 Q N -0.148 119.654 119.800 0.002 0.000 2.437 432 Q HA 0.061 4.400 4.340 -0.000 0.000 0.210 432 Q C 0.297 176.299 176.000 0.002 0.000 0.972 432 Q CA 0.884 56.689 55.803 0.002 0.000 0.903 432 Q CB -0.162 28.578 28.738 0.003 0.000 0.967 432 Q HN 0.544 nan 8.270 nan 0.000 0.486 433 N N -1.691 117.011 118.700 0.002 0.000 3.265 433 N HA -0.043 4.697 4.740 -0.000 0.000 0.235 433 N C -0.200 175.312 175.510 0.002 0.000 1.343 433 N CA -0.379 52.673 53.050 0.002 0.000 0.904 433 N CB 0.909 39.397 38.487 0.003 0.000 1.492 433 N HN -0.151 nan 8.380 nan 0.000 0.504 434 E N 0.556 120.757 120.200 0.002 0.000 2.070 434 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 434 E C 0.502 177.103 176.600 0.003 0.000 1.004 434 E CA 2.072 58.473 56.400 0.002 0.000 0.805 434 E CB -0.245 29.456 29.700 0.002 0.000 0.744 434 E HN 0.593 nan 8.360 nan 0.000 0.451 435 D N 0.150 120.552 120.400 0.003 0.000 2.133 435 D HA -0.207 4.433 4.640 -0.000 0.000 0.192 435 D C 1.964 178.267 176.300 0.004 0.000 1.001 435 D CA 1.352 55.355 54.000 0.004 0.000 0.844 435 D CB -0.368 40.435 40.800 0.005 0.000 0.944 435 D HN 0.370 nan 8.370 nan 0.000 0.447 436 Q N -0.167 119.636 119.800 0.004 0.000 2.170 436 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 436 Q C 1.764 177.766 176.000 0.004 0.000 0.976 436 Q CA 0.770 56.575 55.803 0.004 0.000 0.858 436 Q CB 0.044 28.785 28.738 0.004 0.000 0.907 436 Q HN 0.254 nan 8.270 nan 0.000 0.433 437 N N -0.307 118.394 118.700 0.003 0.000 2.142 437 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 437 N C 1.791 177.303 175.510 0.003 0.000 1.023 437 N CA 0.996 54.048 53.050 0.003 0.000 0.852 437 N CB -0.353 38.135 38.487 0.002 0.000 0.998 437 N HN 0.041 nan 8.380 nan 0.000 0.424 438 V N 0.929 120.845 119.914 0.003 0.000 2.343 438 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 438 V C 2.417 178.514 176.094 0.004 0.000 1.051 438 V CA 2.016 64.318 62.300 0.004 0.000 1.036 438 V CB -1.296 30.529 31.823 0.004 0.000 0.654 438 V HN 0.346 nan 8.190 nan 0.000 0.451 439 G N 0.083 108.886 108.800 0.005 0.000 2.459 439 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 439 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 439 G C 1.575 176.478 174.900 0.005 0.000 1.183 439 G CA 1.258 46.362 45.100 0.006 0.000 0.776 439 G HN 0.472 nan 8.290 nan 0.000 0.552 440 I N 0.339 120.911 120.570 0.004 0.000 2.113 440 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 440 I C 2.807 178.927 176.117 0.004 0.000 1.064 440 I CA 1.614 62.916 61.300 0.004 0.000 1.320 440 I CB -0.147 37.855 38.000 0.003 0.000 1.028 440 I HN 0.032 nan 8.210 nan 0.000 0.406 441 K N 0.411 120.813 120.400 0.004 0.000 2.103 441 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 441 K C 1.930 178.533 176.600 0.005 0.000 1.048 441 K CA 0.934 57.224 56.287 0.004 0.000 0.930 441 K CB -0.640 31.862 32.500 0.004 0.000 0.716 441 K HN 0.119 nan 8.250 nan 0.000 0.444 442 V N 0.523 120.440 119.914 0.005 0.000 2.282 442 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 442 V C 2.150 178.248 176.094 0.007 0.000 1.057 442 V CA 2.241 64.545 62.300 0.006 0.000 1.032 442 V CB -0.677 31.151 31.823 0.007 0.000 0.645 442 V HN 0.434 nan 8.190 nan 0.000 0.447 443 A N -0.779 122.045 122.820 0.006 0.000 1.929 443 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 443 A C 2.148 179.736 177.584 0.006 0.000 1.176 443 A CA 1.502 53.543 52.037 0.006 0.000 0.628 443 A CB -0.439 18.564 19.000 0.005 0.000 0.816 443 A HN 0.515 nan 8.150 nan 0.000 0.444 444 L N -1.185 120.041 121.223 0.006 0.000 2.042 444 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 444 L C 2.823 179.697 176.870 0.007 0.000 1.076 444 L CA 1.758 56.602 54.840 0.006 0.000 0.749 444 L CB -0.595 41.467 42.059 0.006 0.000 0.893 444 L HN 0.381 nan 8.230 nan 0.000 0.432 445 R N -0.036 120.468 120.500 0.007 0.000 2.096 445 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 445 R C 2.383 178.688 176.300 0.008 0.000 1.127 445 R CA 1.371 57.475 56.100 0.007 0.000 0.968 445 R CB -0.247 30.056 30.300 0.006 0.000 0.861 445 R HN 0.381 nan 8.270 nan 0.000 0.440 446 A N 0.337 123.162 122.820 0.009 0.000 1.969 446 A HA -0.159 4.160 4.320 -0.000 0.000 0.218 446 A C 2.050 179.641 177.584 0.011 0.000 1.169 446 A CA 1.074 53.117 52.037 0.010 0.000 0.635 446 A CB -0.348 18.658 19.000 0.011 0.000 0.810 446 A HN 0.280 nan 8.150 nan 0.000 0.445 447 M N -0.284 119.322 119.600 0.010 0.000 2.337 447 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 447 M C 1.439 177.747 176.300 0.014 0.000 1.067 447 M CA 1.325 56.633 55.300 0.012 0.000 1.074 447 M CB -0.248 32.358 32.600 0.010 0.000 1.395 447 M HN 0.478 nan 8.290 nan 0.000 0.431 448 E N -0.527 119.681 120.200 0.013 0.000 2.516 448 E HA -0.068 4.282 4.350 -0.000 0.000 0.199 448 E C 1.821 178.429 176.600 0.013 0.000 1.069 448 E CA 0.449 56.858 56.400 0.014 0.000 0.876 448 E CB 0.012 29.718 29.700 0.011 0.000 0.843 448 E HN 0.543 nan 8.360 nan 0.000 0.530 449 A N 2.089 124.917 122.820 0.013 0.000 1.855 449 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 449 A C -0.304 177.288 177.584 0.014 0.000 1.191 449 A CA 0.881 52.925 52.037 0.012 0.000 0.613 449 A CB -1.274 17.733 19.000 0.013 0.000 0.829 449 A HN 0.115 nan 8.150 nan 0.000 0.442 450 P HA -0.176 nan 4.420 nan 0.000 0.215 450 P C 1.815 179.128 177.300 0.023 0.000 1.157 450 P CA 0.980 64.092 63.100 0.020 0.000 0.874 450 P CB -0.105 31.608 31.700 0.021 0.000 0.790 451 L N -0.918 120.320 121.223 0.025 0.000 2.017 451 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 451 L C 2.412 179.293 176.870 0.019 0.000 1.073 451 L CA 1.742 56.601 54.840 0.031 0.000 0.745 451 L CB -0.245 41.835 42.059 0.035 0.000 0.894 451 L HN -0.198 nan 8.230 nan 0.000 0.432 452 R N -0.778 119.727 120.500 0.009 0.000 2.120 452 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 452 R C 2.372 178.672 176.300 -0.000 0.000 1.123 452 R CA 1.271 57.370 56.100 -0.002 0.000 0.975 452 R CB -0.139 30.160 30.300 -0.002 0.000 0.866 452 R HN 0.444 nan 8.270 nan 0.000 0.446 453 Q N 0.128 119.932 119.800 0.008 0.000 2.137 453 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 453 Q C 2.152 178.161 176.000 0.015 0.000 0.960 453 Q CA 1.023 56.832 55.803 0.009 0.000 0.847 453 Q CB 0.099 28.844 28.738 0.011 0.000 0.915 453 Q HN 0.411 nan 8.270 nan 0.000 0.448 454 I N 0.050 120.634 120.570 0.024 0.000 2.163 454 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 454 I C 2.234 178.378 176.117 0.044 0.000 1.085 454 I CA 1.076 62.398 61.300 0.037 0.000 1.347 454 I CB -0.284 37.747 38.000 0.051 0.000 1.044 454 I HN 0.000 nan 8.210 nan 0.000 0.408 455 V N 0.307 120.239 119.914 0.029 0.000 2.379 455 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 455 V C 2.332 178.425 176.094 -0.002 0.000 1.044 455 V CA 1.177 63.480 62.300 0.005 0.000 1.036 455 V CB -0.402 31.376 31.823 -0.075 0.000 0.664 455 V HN 0.295 nan 8.190 nan 0.000 0.453 456 L N 0.703 121.923 121.223 -0.005 0.000 2.079 456 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 456 L C 2.011 178.883 176.870 0.005 0.000 1.081 456 L CA 1.889 56.727 54.840 -0.003 0.000 0.752 456 L CB -1.212 40.846 42.059 -0.003 0.000 0.896 456 L HN 0.421 nan 8.230 nan 0.000 0.433 457 N N -2.295 116.411 118.700 0.011 0.000 2.520 457 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 457 N C 1.422 176.941 175.510 0.015 0.000 1.068 457 N CA 0.885 53.942 53.050 0.012 0.000 0.911 457 N CB -0.069 38.425 38.487 0.013 0.000 0.961 457 N HN 0.371 nan 8.380 nan 0.000 0.446 458 C N -0.258 119.056 119.300 0.024 0.000 2.696 458 C HA 0.238 4.698 4.460 -0.000 0.000 0.264 458 C C 1.719 176.721 174.990 0.019 0.000 1.288 458 C CA 0.044 59.079 59.018 0.030 0.000 1.717 458 C CB -0.868 26.909 27.740 0.063 0.000 1.893 458 C HN 0.629 nan 8.230 nan 0.000 0.577 459 G N 1.631 110.437 108.800 0.010 0.000 2.153 459 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 459 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 459 G C -0.183 174.718 174.900 0.002 0.000 0.994 459 G CA 0.633 45.736 45.100 0.005 0.000 0.698 459 G HN 0.617 nan 8.290 nan 0.000 0.521 460 E N -0.245 119.952 120.200 -0.004 0.000 2.518 460 E HA 0.559 4.909 4.350 -0.000 0.000 0.248 460 E C 0.009 176.585 176.600 -0.040 0.000 1.028 460 E CA -0.848 55.539 56.400 -0.022 0.000 0.922 460 E CB 0.751 30.430 29.700 -0.036 0.000 1.299 460 E HN 0.401 nan 8.360 nan 0.000 0.457 461 E N 1.656 121.824 120.200 -0.054 0.000 2.046 461 E HA 0.113 4.463 4.350 -0.000 0.000 0.279 461 E C -2.017 174.543 176.600 -0.067 0.000 0.989 461 E CA -1.727 54.646 56.400 -0.045 0.000 0.798 461 E CB 0.897 30.579 29.700 -0.029 0.000 1.086 461 E HN 0.230 nan 8.360 nan 0.000 0.399 462 P HA -0.244 nan 4.420 nan 0.000 0.217 462 P C 1.218 178.491 177.300 -0.045 0.000 1.151 462 P CA 1.445 64.513 63.100 -0.052 0.000 0.849 462 P CB 0.157 31.840 31.700 -0.028 0.000 0.787 463 S N -2.094 113.587 115.700 -0.032 0.000 2.496 463 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 463 S C 1.941 176.527 174.600 -0.023 0.000 0.996 463 S CA 0.301 58.489 58.200 -0.022 0.000 0.927 463 S CB -1.131 62.061 63.200 -0.014 0.000 0.774 463 S HN -0.035 nan 8.310 nan 0.000 0.524 464 V N 1.358 121.253 119.914 -0.031 0.000 2.379 464 V HA -0.044 4.076 4.120 -0.000 0.000 0.243 464 V C 2.475 178.554 176.094 -0.026 0.000 1.035 464 V CA 1.066 63.352 62.300 -0.023 0.000 1.035 464 V CB -0.380 31.433 31.823 -0.017 0.000 0.673 464 V HN 0.379 nan 8.190 nan 0.000 0.457 465 V N 0.483 120.352 119.914 -0.075 0.000 2.233 465 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 465 V C 2.764 178.844 176.094 -0.023 0.000 1.050 465 V CA 2.321 64.563 62.300 -0.097 0.000 1.010 465 V CB -1.183 30.413 31.823 -0.378 0.000 0.637 465 V HN 0.564 nan 8.190 nan 0.000 0.444 466 A N 0.195 122.995 122.820 -0.032 0.000 1.927 466 A HA -0.325 3.995 4.320 -0.000 0.000 0.220 466 A C 2.021 179.608 177.584 0.006 0.000 1.185 466 A CA 2.487 54.523 52.037 -0.001 0.000 0.639 466 A CB -0.907 18.091 19.000 -0.004 0.000 0.820 466 A HN 0.621 nan 8.150 nan 0.000 0.451 467 N N -0.320 118.377 118.700 -0.005 0.000 2.036 467 N HA -0.162 4.578 4.740 -0.000 0.000 0.195 467 N C 2.046 177.549 175.510 -0.011 0.000 1.037 467 N CA 2.533 55.579 53.050 -0.006 0.000 0.855 467 N CB -0.921 37.558 38.487 -0.012 0.000 1.033 467 N HN 0.734 nan 8.380 nan 0.000 0.423 468 T N -1.670 112.861 114.554 -0.039 0.000 2.867 468 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 468 T C 2.003 176.712 174.700 0.015 0.000 1.057 468 T CA 1.061 63.107 62.100 -0.090 0.000 1.136 468 T CB -0.638 68.057 68.868 -0.288 0.000 0.874 468 T HN -0.049 nan 8.240 nan 0.000 0.466 469 V N 1.368 121.304 119.914 0.036 0.000 2.427 469 V HA -0.057 4.063 4.120 -0.000 0.000 0.248 469 V C 2.830 179.010 176.094 0.143 0.000 1.051 469 V CA 1.716 64.082 62.300 0.110 0.000 1.048 469 V CB -0.551 31.325 31.823 0.088 0.000 0.666 469 V HN 0.501 nan 8.190 nan 0.000 0.456 470 K N 0.260 120.704 120.400 0.073 0.000 2.097 470 K HA -0.064 4.255 4.320 -0.000 0.000 0.205 470 K C 2.140 178.768 176.600 0.048 0.000 1.050 470 K CA 1.207 57.528 56.287 0.055 0.000 0.938 470 K CB -0.571 31.947 32.500 0.029 0.000 0.718 470 K HN 0.542 nan 8.250 nan 0.000 0.442 471 G N 0.710 109.531 108.800 0.034 0.000 2.564 471 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 471 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 471 G C 0.689 175.570 174.900 -0.032 0.000 1.124 471 G CA 0.807 45.906 45.100 -0.002 0.000 0.764 471 G HN 0.375 nan 8.290 nan 0.000 0.550 472 G N -1.171 107.645 108.800 0.026 0.000 2.782 472 G HA2 0.529 4.489 3.960 -0.000 0.000 0.201 472 G HA3 0.529 4.489 3.960 -0.000 0.000 0.201 472 G C -1.300 173.592 174.900 -0.013 0.000 1.374 472 G CA -0.376 44.668 45.100 -0.095 0.000 1.039 472 G HN 0.094 nan 8.290 nan 0.000 0.576 473 D N -2.369 118.030 120.400 -0.001 0.000 2.661 473 D HA 0.508 5.148 4.640 -0.000 0.000 0.228 473 D C 0.960 177.298 176.300 0.065 0.000 1.210 473 D CA 0.641 54.649 54.000 0.014 0.000 0.826 473 D CB 1.711 42.490 40.800 -0.036 0.000 1.542 473 D HN 0.799 nan 8.370 nan 0.000 0.447 474 G N 1.924 110.754 108.800 0.050 0.000 2.699 474 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.347 474 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.347 474 G C 0.544 175.496 174.900 0.087 0.000 1.225 474 G CA 0.906 46.039 45.100 0.056 0.000 0.973 474 G HN 0.653 nan 8.290 nan 0.000 0.551 475 N N -0.291 118.469 118.700 0.100 0.000 2.251 475 N HA 0.263 5.003 4.740 -0.000 0.000 0.217 475 N C -0.098 175.512 175.510 0.166 0.000 1.124 475 N CA -0.335 52.779 53.050 0.107 0.000 0.843 475 N CB 0.379 38.911 38.487 0.075 0.000 1.024 475 N HN 0.427 nan 8.380 nan 0.000 0.501 476 Y N 1.712 122.039 120.300 0.045 0.000 2.526 476 Y HA 0.321 4.871 4.550 -0.000 0.000 0.330 476 Y C 0.643 176.604 175.900 0.101 0.000 1.156 476 Y CA 0.267 58.408 58.100 0.068 0.000 1.419 476 Y CB 0.278 38.767 38.460 0.049 0.000 1.250 476 Y HN 0.026 nan 8.280 nan 0.000 0.540 477 G N 4.039 112.709 108.800 -0.217 0.000 2.600 477 G HA2 0.281 4.241 3.960 -0.000 0.000 0.293 477 G HA3 0.281 4.241 3.960 -0.000 0.000 0.293 477 G C -2.499 172.356 174.900 -0.076 0.000 1.408 477 G CA -0.960 44.071 45.100 -0.116 0.000 0.782 477 G HN 0.528 nan 8.290 nan 0.000 0.482 478 Y N 1.525 121.765 120.300 -0.100 0.000 2.326 478 Y HA 0.560 5.110 4.550 -0.000 0.000 0.337 478 Y C 0.067 175.867 175.900 -0.168 0.000 1.023 478 Y CA -1.323 56.670 58.100 -0.179 0.000 1.143 478 Y CB 1.434 39.809 38.460 -0.141 0.000 1.183 478 Y HN 0.424 nan 8.280 nan 0.000 0.485 479 N N 4.851 123.096 118.700 -0.757 0.000 2.469 479 N HA 0.190 4.930 4.740 -0.000 0.000 0.239 479 N C 0.449 175.407 175.510 -0.920 0.000 1.053 479 N CA 0.537 53.227 53.050 -0.599 0.000 0.937 479 N CB 1.349 39.595 38.487 -0.402 0.000 1.163 479 N HN 0.922 nan 8.380 nan 0.000 0.509 480 A N 3.958 126.463 122.820 -0.526 0.000 1.933 480 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 480 A C 2.026 179.472 177.584 -0.230 0.000 1.175 480 A CA 1.851 53.720 52.037 -0.280 0.000 0.628 480 A CB -0.585 18.414 19.000 -0.003 0.000 0.814 480 A HN 0.707 nan 8.150 nan 0.000 0.444 481 A N -0.611 122.087 122.820 -0.202 0.000 1.929 481 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 481 A C 2.107 179.601 177.584 -0.151 0.000 1.176 481 A CA 2.092 54.050 52.037 -0.132 0.000 0.628 481 A CB -0.849 18.092 19.000 -0.099 0.000 0.816 481 A HN 0.824 nan 8.150 nan 0.000 0.444 482 T N -1.834 112.589 114.554 -0.218 0.000 3.214 482 T HA 0.230 4.580 4.350 -0.000 0.000 0.264 482 T C 0.107 174.673 174.700 -0.223 0.000 1.012 482 T CA 0.416 62.408 62.100 -0.179 0.000 0.901 482 T CB -0.471 68.304 68.868 -0.155 0.000 1.070 482 T HN 0.606 nan 8.240 nan 0.000 0.561 483 E N 1.797 121.819 120.200 -0.296 0.000 2.170 483 E HA -0.272 4.078 4.350 -0.000 0.000 0.214 483 E C -0.337 176.035 176.600 -0.380 0.000 1.344 483 E CA 0.935 57.137 56.400 -0.329 0.000 0.714 483 E CB -2.000 27.670 29.700 -0.050 0.000 1.112 483 E HN 0.953 nan 8.360 nan 0.000 0.350 484 E N -0.644 119.235 120.200 -0.536 0.000 2.367 484 E HA 0.509 4.859 4.350 -0.000 0.000 0.273 484 E C -0.734 175.588 176.600 -0.464 0.000 0.903 484 E CA -1.068 55.088 56.400 -0.406 0.000 0.764 484 E CB 0.867 30.481 29.700 -0.143 0.000 1.252 484 E HN 0.092 nan 8.360 nan 0.000 0.446 485 Y N 0.239 120.506 120.300 -0.054 0.000 2.299 485 Y HA 0.570 5.120 4.550 0.000 0.000 0.335 485 Y C 1.187 177.033 175.900 -0.090 0.000 1.287 485 Y CA 0.982 59.000 58.100 -0.137 0.000 1.424 485 Y CB 1.474 39.855 38.460 -0.131 0.000 1.326 485 Y HN 0.845 nan 8.280 nan 0.000 0.567 486 G N 0.502 109.320 108.800 0.031 0.000 2.323 486 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.291 486 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.291 486 G C -1.977 173.000 174.900 0.128 0.000 1.278 486 G CA -1.161 44.017 45.100 0.129 0.000 0.860 486 G HN 0.549 nan 8.290 nan 0.000 0.504 487 N N 1.014 119.786 118.700 0.120 0.000 2.408 487 N HA 0.163 4.903 4.740 -0.000 0.000 0.257 487 N C 1.666 177.205 175.510 0.048 0.000 1.064 487 N CA -0.540 52.572 53.050 0.104 0.000 0.952 487 N CB 0.915 39.457 38.487 0.092 0.000 1.093 487 N HN 0.400 nan 8.380 nan 0.000 0.490 488 M N 3.379 123.002 119.600 0.039 0.000 2.159 488 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 488 M C 1.544 177.852 176.300 0.014 0.000 1.063 488 M CA 0.994 56.302 55.300 0.013 0.000 1.110 488 M CB -0.493 32.116 32.600 0.015 0.000 1.374 488 M HN 0.539 nan 8.290 nan 0.000 0.411 489 I N 0.546 121.130 120.570 0.024 0.000 2.315 489 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 489 I C 1.823 177.949 176.117 0.014 0.000 1.117 489 I CA 1.311 62.623 61.300 0.019 0.000 1.404 489 I CB -1.348 36.666 38.000 0.022 0.000 1.071 489 I HN 0.243 nan 8.210 nan 0.000 0.419 490 D N 0.678 121.089 120.400 0.019 0.000 2.144 490 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 490 D C 2.196 178.499 176.300 0.005 0.000 0.978 490 D CA 1.085 55.094 54.000 0.014 0.000 0.833 490 D CB -0.086 40.727 40.800 0.022 0.000 0.961 490 D HN 0.324 nan 8.370 nan 0.000 0.470 491 M N -0.559 119.041 119.600 -0.001 0.000 2.618 491 M HA 0.126 4.606 4.480 -0.000 0.000 0.240 491 M C 1.023 177.313 176.300 -0.018 0.000 1.123 491 M CA 0.554 55.844 55.300 -0.016 0.000 1.060 491 M CB 0.342 32.923 32.600 -0.032 0.000 1.535 491 M HN 0.051 nan 8.290 nan 0.000 0.507 492 G N 2.170 110.965 108.800 -0.009 0.000 2.176 492 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 492 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 492 G C 0.073 174.967 174.900 -0.010 0.000 1.024 492 G CA -0.217 44.878 45.100 -0.008 0.000 0.755 492 G HN 0.557 nan 8.290 nan 0.000 0.507 493 I N 1.420 121.983 120.570 -0.012 0.000 2.243 493 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 493 I C 0.551 176.668 176.117 -0.001 0.000 1.140 493 I CA -0.301 60.991 61.300 -0.013 0.000 1.289 493 I CB 0.115 38.100 38.000 -0.026 0.000 1.498 493 I HN 0.015 nan 8.210 nan 0.000 0.561 494 L N 3.757 124.982 121.223 0.003 0.000 2.282 494 L HA 0.493 4.833 4.340 -0.000 0.000 0.288 494 L C -0.476 176.401 176.870 0.011 0.000 1.033 494 L CA -0.715 54.130 54.840 0.009 0.000 0.807 494 L CB 1.154 43.219 42.059 0.009 0.000 1.209 494 L HN 0.299 nan 8.230 nan 0.000 0.423 495 D N 4.004 124.412 120.400 0.014 0.000 2.175 495 D HA 0.358 4.998 4.640 -0.000 0.000 0.248 495 D C -2.434 173.877 176.300 0.018 0.000 1.047 495 D CA -1.493 52.517 54.000 0.017 0.000 0.883 495 D CB 1.825 42.635 40.800 0.018 0.000 1.180 495 D HN 0.213 nan 8.370 nan 0.000 0.438 496 P HA 0.138 nan 4.420 nan 0.000 0.281 496 P C 0.710 178.022 177.300 0.020 0.000 1.252 496 P CA -0.241 62.873 63.100 0.023 0.000 0.778 496 P CB 0.866 32.584 31.700 0.030 0.000 0.895 497 T N 2.823 117.387 114.554 0.016 0.000 2.580 497 T HA -0.255 4.095 4.350 -0.000 0.000 0.265 497 T C 1.627 176.332 174.700 0.009 0.000 1.063 497 T CA 1.602 63.709 62.100 0.011 0.000 1.170 497 T CB -0.609 68.264 68.868 0.008 0.000 0.863 497 T HN 0.507 nan 8.240 nan 0.000 0.418 498 K N 0.793 121.200 120.400 0.012 0.000 2.259 498 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 498 K C 2.222 178.834 176.600 0.019 0.000 1.044 498 K CA 1.746 58.040 56.287 0.013 0.000 0.931 498 K CB -0.380 32.135 32.500 0.025 0.000 0.726 498 K HN 0.378 nan 8.250 nan 0.000 0.467 499 V N -1.016 118.913 119.914 0.026 0.000 2.446 499 V HA -0.110 4.010 4.120 -0.000 0.000 0.244 499 V C 1.714 177.822 176.094 0.023 0.000 1.039 499 V CA 2.078 64.397 62.300 0.033 0.000 1.045 499 V CB -0.464 31.382 31.823 0.038 0.000 0.681 499 V HN 0.335 nan 8.190 nan 0.000 0.459 500 T N 0.719 115.282 114.554 0.015 0.000 2.759 500 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 500 T C 2.048 176.745 174.700 -0.006 0.000 1.042 500 T CA 1.984 64.090 62.100 0.009 0.000 1.140 500 T CB -0.406 68.468 68.868 0.009 0.000 0.864 500 T HN 0.496 nan 8.240 nan 0.000 0.455 501 R N 0.783 121.272 120.500 -0.018 0.000 2.093 501 R HA 0.045 4.385 4.340 -0.000 0.000 0.224 501 R C 2.423 178.665 176.300 -0.097 0.000 1.101 501 R CA 1.231 57.302 56.100 -0.049 0.000 0.979 501 R CB -0.442 29.830 30.300 -0.047 0.000 0.877 501 R HN 0.269 nan 8.270 nan 0.000 0.441 502 S N 0.843 116.494 115.700 -0.081 0.000 2.371 502 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 502 S C 2.038 176.596 174.600 -0.070 0.000 1.029 502 S CA 0.978 59.077 58.200 -0.168 0.000 0.978 502 S CB -0.182 63.039 63.200 0.036 0.000 0.833 502 S HN 0.520 nan 8.310 nan 0.000 0.466 503 A N 1.925 124.768 122.820 0.038 0.000 1.884 503 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 503 A C 2.108 179.707 177.584 0.026 0.000 1.197 503 A CA 1.549 53.624 52.037 0.065 0.000 0.637 503 A CB -0.977 18.050 19.000 0.046 0.000 0.827 503 A HN 0.469 nan 8.150 nan 0.000 0.450 504 L N -0.880 120.332 121.223 -0.018 0.000 2.046 504 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 504 L C 2.842 179.682 176.870 -0.051 0.000 1.077 504 L CA 2.123 56.947 54.840 -0.025 0.000 0.747 504 L CB -0.615 41.425 42.059 -0.032 0.000 0.896 504 L HN 0.575 nan 8.230 nan 0.000 0.432 505 Q N -1.155 118.560 119.800 -0.142 0.000 2.020 505 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 505 Q C 2.063 177.980 176.000 -0.138 0.000 0.982 505 Q CA 1.947 57.622 55.803 -0.214 0.000 0.838 505 Q CB -0.229 28.265 28.738 -0.407 0.000 0.899 505 Q HN 0.471 nan 8.270 nan 0.000 0.423 506 Y N 0.032 120.335 120.300 0.005 0.000 2.220 506 Y HA -0.091 4.459 4.550 -0.000 0.000 0.291 506 Y C 2.353 178.256 175.900 0.005 0.000 1.129 506 Y CA 0.650 58.753 58.100 0.004 0.000 1.161 506 Y CB -0.918 37.544 38.460 0.003 0.000 0.997 506 Y HN 0.128 nan 8.280 nan 0.000 0.522 507 A N 0.310 123.226 122.820 0.160 0.000 1.865 507 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 507 A C 2.503 180.126 177.584 0.064 0.000 1.191 507 A CA 2.367 54.458 52.037 0.091 0.000 0.623 507 A CB -1.323 17.713 19.000 0.061 0.000 0.826 507 A HN 0.386 nan 8.150 nan 0.000 0.444 508 A N -0.978 121.868 122.820 0.043 0.000 1.972 508 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 508 A C 2.468 180.075 177.584 0.038 0.000 1.169 508 A CA 2.172 54.226 52.037 0.029 0.000 0.635 508 A CB -0.868 18.138 19.000 0.010 0.000 0.810 508 A HN 0.643 nan 8.150 nan 0.000 0.446 509 S N -0.683 115.050 115.700 0.056 0.000 2.383 509 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 509 S C 1.997 176.633 174.600 0.060 0.000 1.026 509 S CA 1.915 60.153 58.200 0.064 0.000 0.981 509 S CB -0.515 62.748 63.200 0.104 0.000 0.818 509 S HN 0.956 nan 8.310 nan 0.000 0.472 510 V N 0.801 120.755 119.914 0.066 0.000 2.500 510 V HA 0.320 4.440 4.120 -0.000 0.000 0.243 510 V C 2.454 178.569 176.094 0.036 0.000 1.039 510 V CA 1.440 63.768 62.300 0.047 0.000 1.053 510 V CB -1.147 30.700 31.823 0.041 0.000 0.695 510 V HN 0.478 nan 8.190 nan 0.000 0.463 511 A N 1.177 124.019 122.820 0.037 0.000 1.892 511 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 511 A C 2.440 180.039 177.584 0.025 0.000 1.188 511 A CA 2.353 54.407 52.037 0.029 0.000 0.631 511 A CB -1.743 17.273 19.000 0.027 0.000 0.822 511 A HN 0.845 nan 8.150 nan 0.000 0.447 512 G N -0.346 108.470 108.800 0.026 0.000 2.513 512 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 512 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 512 G C 1.601 176.514 174.900 0.022 0.000 1.160 512 G CA 1.199 46.312 45.100 0.022 0.000 0.767 512 G HN 0.445 nan 8.290 nan 0.000 0.571 513 L N -0.330 120.908 121.223 0.024 0.000 2.056 513 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 513 L C 3.145 180.029 176.870 0.023 0.000 1.078 513 L CA 0.797 55.651 54.840 0.023 0.000 0.749 513 L CB -0.213 41.861 42.059 0.024 0.000 0.901 513 L HN 0.246 nan 8.230 nan 0.000 0.433 514 M N -0.141 119.473 119.600 0.023 0.000 2.144 514 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 514 M C 2.115 178.428 176.300 0.022 0.000 1.067 514 M CA 1.851 57.164 55.300 0.023 0.000 1.095 514 M CB -0.441 32.172 32.600 0.023 0.000 1.365 514 M HN 0.348 nan 8.290 nan 0.000 0.406 515 I N -2.126 118.457 120.570 0.020 0.000 3.444 515 I HA -0.023 4.147 4.170 -0.000 0.000 0.287 515 I C 1.352 177.481 176.117 0.019 0.000 1.302 515 I CA 1.000 62.311 61.300 0.018 0.000 1.368 515 I CB -0.610 37.400 38.000 0.016 0.000 1.048 515 I HN 0.167 nan 8.210 nan 0.000 0.487 516 T N -2.567 112.000 114.554 0.021 0.000 3.176 516 T HA 0.223 4.573 4.350 -0.000 0.000 0.263 516 T C 0.580 175.297 174.700 0.028 0.000 1.021 516 T CA -0.316 61.798 62.100 0.023 0.000 0.905 516 T CB -0.715 68.166 68.868 0.022 0.000 1.057 516 T HN 0.196 nan 8.240 nan 0.000 0.558 517 T N 2.629 117.199 114.554 0.027 0.000 2.888 517 T HA 0.230 4.580 4.350 -0.000 0.000 0.301 517 T C 0.789 175.511 174.700 0.038 0.000 1.001 517 T CA 0.067 62.185 62.100 0.030 0.000 1.147 517 T CB 1.322 70.206 68.868 0.026 0.000 0.931 517 T HN 0.439 nan 8.240 nan 0.000 0.541 518 E N 0.659 120.890 120.200 0.052 0.000 2.535 518 E HA 0.202 4.552 4.350 -0.000 0.000 0.216 518 E C -0.026 176.644 176.600 0.117 0.000 0.845 518 E CA -0.119 56.333 56.400 0.086 0.000 1.306 518 E CB 0.614 30.375 29.700 0.101 0.000 1.291 518 E HN 0.633 nan 8.360 nan 0.000 0.635 519 C N 0.317 119.647 119.300 0.050 0.000 2.994 519 C HA 0.812 5.272 4.460 -0.000 0.000 0.304 519 C C -1.493 173.440 174.990 -0.094 0.000 1.273 519 C CA -0.614 58.351 59.018 -0.088 0.000 1.537 519 C CB 0.801 28.488 27.740 -0.089 0.000 2.001 519 C HN 0.365 nan 8.230 nan 0.000 0.471 520 M N 3.978 123.496 119.600 -0.136 0.000 2.324 520 M HA 0.545 5.025 4.480 -0.000 0.000 0.288 520 M C -1.329 175.014 176.300 0.071 0.000 1.097 520 M CA -0.428 54.891 55.300 0.031 0.000 0.928 520 M CB 2.165 34.870 32.600 0.176 0.000 1.648 520 M HN 0.415 nan 8.290 nan 0.000 0.460 521 V N 1.326 121.254 119.914 0.023 0.000 2.604 521 V HA 0.895 5.015 4.120 -0.000 0.000 0.305 521 V C -0.246 175.799 176.094 -0.081 0.000 1.043 521 V CA -0.315 61.974 62.300 -0.019 0.000 0.888 521 V CB 2.099 33.897 31.823 -0.042 0.000 0.995 521 V HN 0.976 nan 8.190 nan 0.000 0.429 522 T N 2.057 116.521 114.554 -0.150 0.000 2.658 522 T HA 0.348 4.698 4.350 -0.000 0.000 0.306 522 T C -1.825 172.754 174.700 -0.202 0.000 1.544 522 T CA -0.447 61.508 62.100 -0.242 0.000 0.991 522 T CB 1.805 70.382 68.868 -0.484 0.000 1.774 522 T HN 0.620 nan 8.240 nan 0.000 0.479 523 D N 0.778 121.058 120.400 -0.200 0.000 2.388 523 D HA 0.532 5.172 4.640 -0.000 0.000 0.254 523 D C -0.092 176.133 176.300 -0.125 0.000 1.111 523 D CA -0.287 53.636 54.000 -0.127 0.000 0.993 523 D CB 0.619 41.360 40.800 -0.098 0.000 1.118 523 D HN 0.428 nan 8.370 nan 0.000 0.502 524 L N 2.148 123.330 121.223 -0.068 0.000 2.426 524 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 524 L C -1.498 175.347 176.870 -0.041 0.000 1.169 524 L CA -1.418 53.398 54.840 -0.039 0.000 0.836 524 L CB 0.390 42.440 42.059 -0.016 0.000 1.112 524 L HN 0.326 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.089 63.100 -0.019 0.000 0.800 525 P CB 0.000 31.702 31.700 0.003 0.000 0.726