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 3e76_1_G 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 2.951 125.767 122.820 -0.006 0.000 2.477 3 A HA 0.577 4.897 4.320 -0.000 0.000 0.246 3 A C 0.264 177.843 177.584 -0.009 0.000 1.078 3 A CA 0.305 52.340 52.037 -0.002 0.000 0.770 3 A CB 0.134 19.135 19.000 0.002 0.000 1.011 3 A HN 0.621 nan 8.150 nan 0.000 0.494 4 K N 1.402 121.800 120.400 -0.003 0.000 2.267 4 K HA 0.439 4.759 4.320 -0.000 0.000 0.246 4 K C -1.421 175.186 176.600 0.011 0.000 0.954 4 K CA -0.710 55.570 56.287 -0.012 0.000 0.824 4 K CB 2.078 34.570 32.500 -0.014 0.000 1.167 4 K HN 0.757 nan 8.250 nan 0.000 0.431 5 D N 0.982 121.390 120.400 0.013 0.000 2.278 5 D HA 0.402 5.042 4.640 -0.000 0.000 0.245 5 D C -1.341 175.053 176.300 0.157 0.000 1.052 5 D CA -0.605 53.453 54.000 0.098 0.000 0.834 5 D CB 1.469 42.359 40.800 0.150 0.000 1.194 5 D HN 0.070 nan 8.370 nan 0.000 0.481 6 V N 4.130 124.111 119.914 0.110 0.000 2.531 6 V HA 0.445 4.565 4.120 -0.000 0.000 0.301 6 V C -0.062 175.904 176.094 -0.213 0.000 1.034 6 V CA -0.816 61.456 62.300 -0.046 0.000 0.865 6 V CB 1.822 33.542 31.823 -0.170 0.000 0.995 6 V HN 0.413 nan 8.190 nan 0.000 0.424 7 K N 3.693 123.886 120.400 -0.345 0.000 2.316 7 K HA 0.739 5.059 4.320 -0.000 0.000 0.251 7 K C -1.599 174.675 176.600 -0.542 0.000 0.934 7 K CA -0.501 55.512 56.287 -0.456 0.000 0.802 7 K CB 2.345 34.432 32.500 -0.688 0.000 1.171 7 K HN 0.447 nan 8.250 nan 0.000 0.426 8 F N 0.408 120.315 119.950 -0.073 0.000 2.522 8 F HA 0.422 4.949 4.527 -0.000 0.000 0.324 8 F C 1.214 176.986 175.800 -0.047 0.000 1.077 8 F CA 0.117 58.093 58.000 -0.039 0.000 0.944 8 F CB 1.762 40.749 39.000 -0.022 0.000 1.175 8 F HN 0.841 nan 8.300 nan 0.000 0.468 9 G N 2.512 111.416 108.800 0.174 0.000 2.611 9 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.301 9 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.301 9 G C 1.270 176.191 174.900 0.035 0.000 1.233 9 G CA 0.663 45.818 45.100 0.092 0.000 0.993 9 G HN 0.684 nan 8.290 nan 0.000 0.553 10 N N 0.765 119.479 118.700 0.024 0.000 2.104 10 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 10 N C 1.864 177.363 175.510 -0.019 0.000 1.024 10 N CA 2.000 55.052 53.050 0.003 0.000 0.853 10 N CB -0.417 38.071 38.487 0.003 0.000 1.008 10 N HN 0.593 nan 8.380 nan 0.000 0.424 11 D N 0.336 120.720 120.400 -0.027 0.000 2.149 11 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 11 D C 1.531 177.751 176.300 -0.133 0.000 0.990 11 D CA 1.145 55.101 54.000 -0.073 0.000 0.839 11 D CB 0.097 40.855 40.800 -0.071 0.000 0.948 11 D HN 0.343 nan 8.370 nan 0.000 0.460 12 A N 0.482 123.230 122.820 -0.120 0.000 1.930 12 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 12 A C 2.318 179.857 177.584 -0.074 0.000 1.176 12 A CA 0.694 52.635 52.037 -0.161 0.000 0.632 12 A CB -0.239 18.692 19.000 -0.116 0.000 0.819 12 A HN 0.130 nan 8.150 nan 0.000 0.445 13 R N -0.229 120.250 120.500 -0.035 0.000 2.073 13 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 13 R C 2.100 178.395 176.300 -0.009 0.000 1.120 13 R CA 1.475 57.570 56.100 -0.008 0.000 0.967 13 R CB -0.540 29.761 30.300 0.002 0.000 0.862 13 R HN 0.537 nan 8.270 nan 0.000 0.436 14 V N -0.355 119.546 119.914 -0.022 0.000 2.720 14 V HA -0.161 3.959 4.120 -0.000 0.000 0.256 14 V C 1.700 177.787 176.094 -0.011 0.000 1.082 14 V CA 1.484 63.774 62.300 -0.016 0.000 1.101 14 V CB -0.396 31.414 31.823 -0.022 0.000 0.693 14 V HN 0.115 nan 8.190 nan 0.000 0.479 15 K N -0.193 120.194 120.400 -0.022 0.000 2.167 15 K HA 0.144 4.464 4.320 -0.000 0.000 0.203 15 K C 2.097 178.725 176.600 0.047 0.000 1.052 15 K CA 1.462 57.755 56.287 0.011 0.000 0.956 15 K CB -0.260 32.237 32.500 -0.005 0.000 0.735 15 K HN 0.510 nan 8.250 nan 0.000 0.451 16 M N 0.338 119.962 119.600 0.040 0.000 2.123 16 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 16 M C 2.238 178.556 176.300 0.030 0.000 1.069 16 M CA 1.071 56.397 55.300 0.044 0.000 1.133 16 M CB -0.280 32.344 32.600 0.039 0.000 1.356 16 M HN 0.017 nan 8.290 nan 0.000 0.415 17 L N 0.557 121.792 121.223 0.020 0.000 2.012 17 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 17 L C 2.458 179.338 176.870 0.016 0.000 1.073 17 L CA 1.976 56.825 54.840 0.016 0.000 0.748 17 L CB -0.598 41.467 42.059 0.010 0.000 0.891 17 L HN 0.168 nan 8.230 nan 0.000 0.431 18 R N -0.407 120.102 120.500 0.016 0.000 2.105 18 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 18 R C 2.128 178.441 176.300 0.021 0.000 1.135 18 R CA 1.676 57.786 56.100 0.017 0.000 0.967 18 R CB -1.017 29.293 30.300 0.017 0.000 0.861 18 R HN 0.524 nan 8.270 nan 0.000 0.442 19 G N -0.312 108.505 108.800 0.028 0.000 2.394 19 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 19 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 19 G C 1.416 176.328 174.900 0.021 0.000 1.176 19 G CA 0.884 46.001 45.100 0.029 0.000 0.786 19 G HN 0.330 nan 8.290 nan 0.000 0.533 20 V N -0.414 119.512 119.914 0.021 0.000 2.427 20 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 20 V C 2.266 178.368 176.094 0.014 0.000 1.051 20 V CA 2.018 64.328 62.300 0.017 0.000 1.048 20 V CB -0.715 31.118 31.823 0.018 0.000 0.666 20 V HN 0.149 nan 8.190 nan 0.000 0.456 21 N N 0.970 119.678 118.700 0.013 0.000 2.223 21 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 21 N C 1.710 177.226 175.510 0.009 0.000 1.016 21 N CA 1.636 54.692 53.050 0.010 0.000 0.863 21 N CB -0.548 37.945 38.487 0.010 0.000 0.983 21 N HN 0.514 nan 8.380 nan 0.000 0.429 22 V N 1.044 120.964 119.914 0.010 0.000 2.270 22 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 22 V C 2.365 178.463 176.094 0.007 0.000 1.043 22 V CA 1.060 63.365 62.300 0.009 0.000 1.014 22 V CB -0.552 31.277 31.823 0.010 0.000 0.645 22 V HN 0.225 nan 8.190 nan 0.000 0.447 23 L N 0.010 121.238 121.223 0.008 0.000 2.046 23 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 23 L C 2.497 179.370 176.870 0.005 0.000 1.077 23 L CA 1.890 56.733 54.840 0.006 0.000 0.747 23 L CB -0.496 41.567 42.059 0.006 0.000 0.896 23 L HN 0.310 nan 8.230 nan 0.000 0.432 24 A N -0.398 122.426 122.820 0.007 0.000 1.858 24 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 24 A C 1.866 179.453 177.584 0.005 0.000 1.190 24 A CA 1.981 54.021 52.037 0.006 0.000 0.617 24 A CB -0.829 18.176 19.000 0.008 0.000 0.827 24 A HN 0.490 nan 8.150 nan 0.000 0.443 25 D N 0.066 120.469 120.400 0.005 0.000 2.218 25 D HA 0.001 4.641 4.640 -0.000 0.000 0.204 25 D C 1.947 178.248 176.300 0.003 0.000 0.976 25 D CA 1.316 55.318 54.000 0.004 0.000 0.853 25 D CB -0.271 40.532 40.800 0.004 0.000 0.939 25 D HN 0.451 nan 8.370 nan 0.000 0.481 26 A N -0.134 122.688 122.820 0.003 0.000 2.067 26 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 26 A C 2.206 179.790 177.584 0.001 0.000 1.156 26 A CA 0.624 52.662 52.037 0.002 0.000 0.683 26 A CB 0.077 19.078 19.000 0.002 0.000 0.808 26 A HN 0.162 nan 8.150 nan 0.000 0.455 27 V N 0.442 120.356 119.914 0.001 0.000 2.788 27 V HA -0.106 4.014 4.120 -0.000 0.000 0.241 27 V C 2.283 178.377 176.094 0.000 0.000 1.083 27 V CA 1.512 63.812 62.300 -0.001 0.000 1.103 27 V CB -0.262 31.560 31.823 -0.002 0.000 0.800 27 V HN 0.772 nan 8.190 nan 0.000 0.476 28 K N 1.885 122.286 120.400 0.002 0.000 2.360 28 K HA -0.112 4.208 4.320 -0.000 0.000 0.201 28 K C 1.685 178.286 176.600 0.002 0.000 1.046 28 K CA 1.812 58.100 56.287 0.002 0.000 0.945 28 K CB -0.608 31.894 32.500 0.003 0.000 0.750 28 K HN 0.494 nan 8.250 nan 0.000 0.464 29 V N -0.497 119.417 119.914 0.001 0.000 3.217 29 V HA -0.068 4.052 4.120 -0.000 0.000 0.264 29 V C 1.824 177.918 176.094 0.000 0.000 1.135 29 V CA 1.366 63.666 62.300 0.001 0.000 1.142 29 V CB -0.809 31.015 31.823 0.001 0.000 0.754 29 V HN 0.517 nan 8.190 nan 0.000 0.484 30 T N -2.233 112.320 114.554 -0.000 0.000 3.186 30 T HA 0.407 4.757 4.350 -0.000 0.000 0.257 30 T C 0.140 174.839 174.700 -0.001 0.000 1.029 30 T CA -0.300 61.799 62.100 -0.001 0.000 0.916 30 T CB -0.012 68.854 68.868 -0.003 0.000 1.041 30 T HN 0.289 nan 8.240 nan 0.000 0.562 31 L N 2.324 123.547 121.223 0.001 0.000 2.371 31 L HA 0.667 5.007 4.340 -0.000 0.000 0.272 31 L C 0.885 177.757 176.870 0.004 0.000 1.124 31 L CA 1.504 56.346 54.840 0.002 0.000 0.816 31 L CB 0.132 42.194 42.059 0.005 0.000 1.129 31 L HN 0.658 nan 8.230 nan 0.000 0.448 32 G N 4.394 113.196 108.800 0.004 0.000 2.741 32 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.222 32 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.222 32 G C -2.157 172.742 174.900 -0.001 0.000 1.364 32 G CA -0.151 44.952 45.100 0.004 0.000 0.866 32 G HN 0.644 nan 8.290 nan 0.000 0.555 33 P HA 0.220 nan 4.420 nan 0.000 0.245 33 P C 0.924 178.219 177.300 -0.007 0.000 1.199 33 P CA 0.618 63.712 63.100 -0.010 0.000 0.807 33 P CB 0.328 32.016 31.700 -0.020 0.000 1.002 34 K N 0.819 121.219 120.400 -0.000 0.000 2.520 34 K HA 0.249 4.569 4.320 -0.000 0.000 0.205 34 K C 1.090 177.692 176.600 0.004 0.000 1.035 34 K CA -0.083 56.207 56.287 0.004 0.000 1.188 34 K CB -0.191 32.318 32.500 0.016 0.000 0.894 34 K HN 0.101 nan 8.250 nan 0.000 0.497 35 G N 1.181 109.982 108.800 0.002 0.000 2.636 35 G HA2 0.119 4.079 3.960 -0.000 0.000 0.246 35 G HA3 0.119 4.079 3.960 -0.000 0.000 0.246 35 G C 0.066 174.966 174.900 -0.000 0.000 1.216 35 G CA -0.444 44.657 45.100 0.001 0.000 0.854 35 G HN 0.086 nan 8.290 nan 0.000 0.572 36 R N 0.379 120.879 120.500 -0.000 0.000 2.674 36 R HA 0.312 4.652 4.340 -0.000 0.000 0.266 36 R C -0.282 176.017 176.300 -0.001 0.000 1.016 36 R CA -1.020 55.080 56.100 -0.000 0.000 1.062 36 R CB 0.700 31.000 30.300 0.000 0.000 1.142 36 R HN 0.483 nan 8.270 nan 0.000 0.517 37 N N 0.306 119.005 118.700 -0.001 0.000 2.514 37 N HA 0.197 4.937 4.740 -0.000 0.000 0.277 37 N C -0.752 174.758 175.510 -0.001 0.000 1.126 37 N CA -0.184 52.865 53.050 -0.001 0.000 0.978 37 N CB 1.517 40.003 38.487 -0.001 0.000 1.106 37 N HN 0.125 nan 8.380 nan 0.000 0.461 38 V N 2.506 122.420 119.914 -0.001 0.000 2.448 38 V HA 0.291 4.411 4.120 -0.000 0.000 0.295 38 V C 0.017 176.111 176.094 0.001 0.000 1.025 38 V CA -0.813 61.487 62.300 -0.000 0.000 0.859 38 V CB 1.887 33.709 31.823 -0.000 0.000 0.988 38 V HN 0.285 nan 8.190 nan 0.000 0.431 39 V N 6.814 126.729 119.914 0.001 0.000 2.407 39 V HA 0.460 4.580 4.120 -0.000 0.000 0.278 39 V C -0.133 175.963 176.094 0.003 0.000 1.037 39 V CA -0.419 61.882 62.300 0.002 0.000 0.900 39 V CB 1.331 33.156 31.823 0.002 0.000 0.983 39 V HN 0.614 nan 8.190 nan 0.000 0.459 40 L N 3.767 124.993 121.223 0.005 0.000 2.313 40 L HA 0.536 4.876 4.340 -0.000 0.000 0.283 40 L C -0.276 176.600 176.870 0.009 0.000 1.013 40 L CA -0.566 54.278 54.840 0.006 0.000 0.816 40 L CB 1.743 43.806 42.059 0.007 0.000 1.236 40 L HN 0.532 nan 8.230 nan 0.000 0.419 41 D N 2.953 123.358 120.400 0.008 0.000 2.345 41 D HA 0.293 4.933 4.640 -0.000 0.000 0.247 41 D C -0.661 175.649 176.300 0.017 0.000 1.108 41 D CA 0.128 54.134 54.000 0.009 0.000 0.894 41 D CB 0.977 41.778 40.800 0.003 0.000 1.203 41 D HN 0.337 nan 8.370 nan 0.000 0.430 42 K N 0.812 121.226 120.400 0.025 0.000 2.375 42 K HA 0.249 4.569 4.320 -0.000 0.000 0.249 42 K C 0.976 177.596 176.600 0.034 0.000 0.942 42 K CA -0.622 55.692 56.287 0.045 0.000 0.806 42 K CB 1.800 34.342 32.500 0.069 0.000 1.227 42 K HN 0.439 nan 8.250 nan 0.000 0.430 43 S N 1.344 117.066 115.700 0.036 0.000 2.368 43 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 43 S C 0.600 175.123 174.600 -0.129 0.000 1.030 43 S CA 0.774 58.938 58.200 -0.060 0.000 0.999 43 S CB -0.281 62.864 63.200 -0.092 0.000 0.844 43 S HN 0.415 nan 8.310 nan 0.000 0.459 44 F N 3.373 123.316 119.950 -0.011 0.000 2.404 44 F HA 0.562 5.089 4.527 0.000 0.000 0.359 44 F C 1.605 177.399 175.800 -0.009 0.000 1.134 44 F CA 0.473 58.467 58.000 -0.010 0.000 1.160 44 F CB 0.453 39.446 39.000 -0.012 0.000 1.186 44 F HN 0.540 nan 8.300 nan 0.000 0.526 45 G N 2.319 111.182 108.800 0.105 0.000 2.550 45 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.277 45 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.277 45 G C 0.008 174.936 174.900 0.045 0.000 1.190 45 G CA -0.456 44.687 45.100 0.072 0.000 0.971 45 G HN 1.035 nan 8.290 nan 0.000 0.559 46 A N 1.664 124.509 122.820 0.042 0.000 2.445 46 A HA 0.653 4.973 4.320 -0.000 0.000 0.242 46 A C -1.324 176.276 177.584 0.026 0.000 1.075 46 A CA 0.249 52.301 52.037 0.026 0.000 0.777 46 A CB -0.171 18.841 19.000 0.022 0.000 1.013 46 A HN 0.712 nan 8.150 nan 0.000 0.493 47 P HA 0.340 nan 4.420 nan 0.000 0.274 47 P C -0.482 176.826 177.300 0.014 0.000 1.237 47 P CA -0.155 62.954 63.100 0.015 0.000 0.793 47 P CB 0.581 32.286 31.700 0.009 0.000 0.977 48 T N 2.061 116.623 114.554 0.013 0.000 2.744 48 T HA 0.466 4.816 4.350 -0.000 0.000 0.291 48 T C 0.322 175.026 174.700 0.006 0.000 0.957 48 T CA -0.228 61.877 62.100 0.009 0.000 1.002 48 T CB -0.186 68.688 68.868 0.010 0.000 0.919 48 T HN 0.172 nan 8.240 nan 0.000 0.468 49 I N 3.018 123.590 120.570 0.004 0.000 2.312 49 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 49 I C 0.569 176.687 176.117 0.000 0.000 1.008 49 I CA -0.349 60.952 61.300 0.002 0.000 1.226 49 I CB 1.384 39.385 38.000 0.001 0.000 1.371 49 I HN 0.506 nan 8.210 nan 0.000 0.468 50 T N 4.106 118.660 114.554 -0.001 0.000 2.868 50 T HA 0.397 4.747 4.350 -0.000 0.000 0.306 50 T C 0.232 174.930 174.700 -0.004 0.000 1.224 50 T CA -0.580 61.519 62.100 -0.003 0.000 1.012 50 T CB 1.811 70.677 68.868 -0.003 0.000 1.221 50 T HN 0.650 nan 8.240 nan 0.000 0.499 51 K N 0.657 121.053 120.400 -0.005 0.000 2.380 51 K HA 0.170 4.490 4.320 -0.000 0.000 0.198 51 K C -0.286 176.309 176.600 -0.008 0.000 1.070 51 K CA -0.187 56.097 56.287 -0.006 0.000 1.040 51 K CB 0.365 32.861 32.500 -0.006 0.000 0.903 51 K HN 0.492 nan 8.250 nan 0.000 0.549 52 D N 0.803 121.197 120.400 -0.010 0.000 2.368 52 D HA -0.003 4.637 4.640 -0.000 0.000 0.268 52 D C 1.217 177.509 176.300 -0.013 0.000 1.298 52 D CA 0.147 54.138 54.000 -0.014 0.000 0.938 52 D CB 0.981 41.772 40.800 -0.016 0.000 1.101 52 D HN 0.234 nan 8.370 nan 0.000 0.509 53 G N 2.578 111.369 108.800 -0.014 0.000 2.479 53 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 53 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 53 G C 1.432 176.322 174.900 -0.016 0.000 1.115 53 G CA 0.820 45.913 45.100 -0.013 0.000 0.757 53 G HN 0.488 nan 8.290 nan 0.000 0.560 54 V N 0.762 120.663 119.914 -0.021 0.000 2.323 54 V HA -0.129 3.991 4.120 -0.000 0.000 0.244 54 V C 2.962 179.046 176.094 -0.016 0.000 1.041 54 V CA 2.030 64.316 62.300 -0.024 0.000 1.025 54 V CB -0.742 31.062 31.823 -0.031 0.000 0.656 54 V HN 0.320 nan 8.190 nan 0.000 0.451 55 S N 0.275 115.967 115.700 -0.013 0.000 2.382 55 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 55 S C 2.010 176.607 174.600 -0.004 0.000 1.027 55 S CA 1.483 59.679 58.200 -0.008 0.000 0.991 55 S CB -0.205 62.991 63.200 -0.007 0.000 0.823 55 S HN 0.391 nan 8.310 nan 0.000 0.469 56 V N 1.791 121.701 119.914 -0.006 0.000 2.323 56 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 56 V C 2.645 178.737 176.094 -0.003 0.000 1.041 56 V CA 1.551 63.849 62.300 -0.003 0.000 1.025 56 V CB -1.215 30.606 31.823 -0.003 0.000 0.656 56 V HN 0.522 nan 8.190 nan 0.000 0.451 57 A N 0.030 122.846 122.820 -0.006 0.000 1.883 57 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 57 A C 2.373 179.954 177.584 -0.005 0.000 1.186 57 A CA 1.838 53.871 52.037 -0.007 0.000 0.624 57 A CB -0.573 18.420 19.000 -0.012 0.000 0.822 57 A HN 0.456 nan 8.150 nan 0.000 0.444 58 R N -0.593 119.904 120.500 -0.006 0.000 2.139 58 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 58 R C 1.752 178.053 176.300 0.002 0.000 1.145 58 R CA 1.414 57.512 56.100 -0.002 0.000 0.976 58 R CB -0.230 30.069 30.300 -0.001 0.000 0.866 58 R HN 0.520 nan 8.270 nan 0.000 0.449 59 E N 0.241 120.443 120.200 0.003 0.000 2.285 59 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 59 E C 0.619 177.221 176.600 0.004 0.000 0.997 59 E CA 0.283 56.686 56.400 0.005 0.000 0.845 59 E CB 0.128 29.831 29.700 0.006 0.000 0.782 59 E HN 0.165 nan 8.360 nan 0.000 0.491 60 I N 2.002 122.574 120.570 0.002 0.000 2.533 60 I HA 0.063 4.233 4.170 -0.000 0.000 0.284 60 I C 0.423 176.541 176.117 0.001 0.000 1.109 60 I CA 0.491 61.792 61.300 0.002 0.000 1.412 60 I CB 0.022 38.023 38.000 0.002 0.000 1.396 60 I HN -0.007 nan 8.210 nan 0.000 0.543 61 E N 6.973 127.173 120.200 0.001 0.000 2.428 61 E HA 0.366 4.716 4.350 -0.000 0.000 0.307 61 E C -1.671 174.929 176.600 -0.001 0.000 0.902 61 E CA -0.503 55.896 56.400 -0.001 0.000 0.799 61 E CB 1.379 31.078 29.700 -0.002 0.000 1.351 61 E HN 0.460 nan 8.360 nan 0.000 0.392 62 L N 3.113 124.336 121.223 0.000 0.000 2.454 62 L HA 0.328 4.668 4.340 -0.000 0.000 0.256 62 L C 1.703 178.574 176.870 0.001 0.000 1.136 62 L CA -0.108 54.735 54.840 0.004 0.000 0.804 62 L CB 0.921 42.987 42.059 0.011 0.000 1.181 62 L HN 0.721 nan 8.230 nan 0.000 0.469 63 E N 0.450 120.653 120.200 0.005 0.000 2.033 63 E HA -0.154 4.196 4.350 -0.000 0.000 0.189 63 E C 0.120 176.723 176.600 0.006 0.000 0.979 63 E CA 0.417 56.819 56.400 0.003 0.000 0.802 63 E CB 0.206 29.909 29.700 0.007 0.000 0.763 63 E HN 0.705 nan 8.360 nan 0.000 0.449 64 D N 0.745 121.159 120.400 0.024 0.000 2.389 64 D HA -0.061 4.579 4.640 -0.000 0.000 0.263 64 D C 0.951 177.270 176.300 0.032 0.000 1.255 64 D CA 0.073 54.103 54.000 0.050 0.000 0.914 64 D CB 0.706 41.555 40.800 0.082 0.000 1.116 64 D HN -0.059 nan 8.370 nan 0.000 0.502 65 K N 3.273 123.657 120.400 -0.027 0.000 2.113 65 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 65 K C 1.622 178.112 176.600 -0.184 0.000 1.047 65 K CA 1.246 57.442 56.287 -0.152 0.000 0.928 65 K CB -0.302 32.029 32.500 -0.282 0.000 0.716 65 K HN 0.553 nan 8.250 nan 0.000 0.446 66 F N 1.511 121.448 119.950 -0.021 0.000 2.113 66 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 66 F C 2.407 178.196 175.800 -0.017 0.000 1.103 66 F CA 1.156 59.142 58.000 -0.024 0.000 1.248 66 F CB -0.401 38.581 39.000 -0.029 0.000 0.999 66 F HN 0.126 nan 8.300 nan 0.000 0.475 67 E N 0.003 120.307 120.200 0.173 0.000 2.085 67 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 67 E C 1.903 178.533 176.600 0.049 0.000 0.994 67 E CA 1.397 57.851 56.400 0.090 0.000 0.801 67 E CB -0.403 29.337 29.700 0.067 0.000 0.743 67 E HN 0.305 nan 8.360 nan 0.000 0.453 68 N N 0.809 119.524 118.700 0.026 0.000 2.061 68 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 68 N C 1.749 177.258 175.510 -0.003 0.000 1.030 68 N CA 1.569 54.619 53.050 0.000 0.000 0.856 68 N CB -0.071 38.402 38.487 -0.023 0.000 1.023 68 N HN 0.085 nan 8.380 nan 0.000 0.424 69 M N -0.541 119.055 119.600 -0.008 0.000 2.065 69 M HA -0.073 4.407 4.480 -0.000 0.000 0.259 69 M C 2.237 178.547 176.300 0.017 0.000 1.069 69 M CA 1.897 57.193 55.300 -0.006 0.000 1.110 69 M CB -0.836 31.758 32.600 -0.010 0.000 1.328 69 M HN 0.351 nan 8.290 nan 0.000 0.405 70 G N -0.027 108.795 108.800 0.037 0.000 2.514 70 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 70 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 70 G C 1.610 176.523 174.900 0.023 0.000 1.198 70 G CA 1.330 46.451 45.100 0.035 0.000 0.780 70 G HN 0.567 nan 8.290 nan 0.000 0.565 71 A N -0.297 122.535 122.820 0.020 0.000 1.892 71 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 71 A C 2.365 179.954 177.584 0.008 0.000 1.188 71 A CA 2.139 54.184 52.037 0.013 0.000 0.631 71 A CB -0.444 18.562 19.000 0.011 0.000 0.822 71 A HN 0.354 nan 8.150 nan 0.000 0.447 72 Q N -1.119 118.683 119.800 0.004 0.000 2.291 72 Q HA -0.020 4.320 4.340 -0.000 0.000 0.205 72 Q C 2.047 178.048 176.000 0.002 0.000 0.970 72 Q CA 1.007 56.810 55.803 -0.001 0.000 0.876 72 Q CB -0.280 28.454 28.738 -0.008 0.000 0.935 72 Q HN 0.790 nan 8.270 nan 0.000 0.455 73 M N -0.241 119.364 119.600 0.008 0.000 2.123 73 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 73 M C 2.174 178.483 176.300 0.016 0.000 1.069 73 M CA 1.301 56.609 55.300 0.013 0.000 1.133 73 M CB -0.123 32.488 32.600 0.019 0.000 1.356 73 M HN 0.120 nan 8.290 nan 0.000 0.415 74 V N -2.265 117.658 119.914 0.016 0.000 2.809 74 V HA -0.136 3.984 4.120 -0.000 0.000 0.256 74 V C 1.959 178.057 176.094 0.007 0.000 1.080 74 V CA 1.444 63.755 62.300 0.017 0.000 1.102 74 V CB -0.968 30.866 31.823 0.017 0.000 0.705 74 V HN 0.415 nan 8.190 nan 0.000 0.475 75 K N 0.101 120.502 120.400 0.001 0.000 2.097 75 K HA -0.164 4.155 4.320 -0.000 0.000 0.206 75 K C 2.279 178.869 176.600 -0.017 0.000 1.049 75 K CA 1.508 57.790 56.287 -0.008 0.000 0.933 75 K CB -0.142 32.354 32.500 -0.007 0.000 0.717 75 K HN 0.464 nan 8.250 nan 0.000 0.442 76 E N 0.433 120.627 120.200 -0.010 0.000 2.333 76 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 76 E C 1.740 178.323 176.600 -0.029 0.000 1.007 76 E CA 0.866 57.257 56.400 -0.014 0.000 0.845 76 E CB 0.233 29.935 29.700 0.003 0.000 0.766 76 E HN 0.170 nan 8.360 nan 0.000 0.507 77 V N 0.264 120.166 119.914 -0.020 0.000 2.374 77 V HA -0.044 4.076 4.120 -0.000 0.000 0.241 77 V C 2.476 178.504 176.094 -0.110 0.000 1.034 77 V CA 1.206 63.487 62.300 -0.032 0.000 1.037 77 V CB -1.008 30.839 31.823 0.040 0.000 0.682 77 V HN 0.170 nan 8.190 nan 0.000 0.463 78 A N 1.786 124.568 122.820 -0.063 0.000 1.884 78 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 78 A C 2.551 180.072 177.584 -0.105 0.000 1.197 78 A CA 3.122 55.117 52.037 -0.069 0.000 0.637 78 A CB -1.095 17.882 19.000 -0.039 0.000 0.827 78 A HN 0.732 nan 8.150 nan 0.000 0.450 79 S N -0.692 114.950 115.700 -0.096 0.000 2.423 79 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 79 S C 1.798 176.304 174.600 -0.157 0.000 1.014 79 S CA 1.452 59.593 58.200 -0.098 0.000 0.965 79 S CB -0.260 62.902 63.200 -0.063 0.000 0.785 79 S HN 0.619 nan 8.310 nan 0.000 0.495 80 K N 1.069 121.321 120.400 -0.246 0.000 2.186 80 K HA 0.273 4.592 4.320 -0.000 0.000 0.202 80 K C 2.478 178.689 176.600 -0.649 0.000 1.052 80 K CA 0.740 56.776 56.287 -0.419 0.000 0.965 80 K CB -0.353 31.861 32.500 -0.476 0.000 0.746 80 K HN 0.465 nan 8.250 nan 0.000 0.457 81 A N 1.790 124.266 122.820 -0.575 0.000 1.933 81 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 81 A C 1.869 179.339 177.584 -0.190 0.000 1.175 81 A CA 1.877 53.689 52.037 -0.376 0.000 0.628 81 A CB -0.629 18.260 19.000 -0.184 0.000 0.814 81 A HN 0.288 nan 8.150 nan 0.000 0.444 82 N N 0.210 118.814 118.700 -0.159 0.000 2.223 82 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 82 N C 1.034 176.491 175.510 -0.088 0.000 1.016 82 N CA 1.719 54.706 53.050 -0.105 0.000 0.863 82 N CB -0.213 38.219 38.487 -0.091 0.000 0.983 82 N HN 0.414 nan 8.380 nan 0.000 0.429 83 D N -0.603 119.729 120.400 -0.112 0.000 2.183 83 D HA 0.009 4.649 4.640 -0.000 0.000 0.203 83 D C 1.627 177.909 176.300 -0.030 0.000 0.969 83 D CA 0.967 54.925 54.000 -0.070 0.000 0.842 83 D CB -0.239 40.508 40.800 -0.088 0.000 0.957 83 D HN 0.413 nan 8.370 nan 0.000 0.484 84 A N 0.399 123.192 122.820 -0.045 0.000 1.903 84 A HA 0.289 4.609 4.320 -0.000 0.000 0.213 84 A C 2.035 179.654 177.584 0.057 0.000 1.185 84 A CA 1.774 53.832 52.037 0.036 0.000 0.628 84 A CB 0.013 19.077 19.000 0.107 0.000 0.830 84 A HN 0.234 nan 8.150 nan 0.000 0.446 85 A N -3.577 119.268 122.820 0.042 0.000 1.975 85 A HA 0.476 4.796 4.320 -0.000 0.000 0.197 85 A C 1.817 179.450 177.584 0.081 0.000 1.537 85 A CA 1.111 53.193 52.037 0.074 0.000 0.972 85 A CB -0.179 18.855 19.000 0.056 0.000 1.019 85 A HN 1.845 nan 8.150 nan 0.000 0.488 86 G N -0.506 108.287 108.800 -0.012 0.000 2.213 86 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.226 86 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.226 86 G C -0.069 174.782 174.900 -0.083 0.000 0.992 86 G CA 0.655 45.690 45.100 -0.108 0.000 0.632 86 G HN 0.910 nan 8.290 nan 0.000 0.511 87 D N -1.192 119.190 120.400 -0.031 0.000 2.423 87 D HA 0.590 5.230 4.640 -0.000 0.000 0.235 87 D C 1.052 177.345 176.300 -0.012 0.000 1.011 87 D CA 0.737 54.726 54.000 -0.019 0.000 0.963 87 D CB 1.006 41.808 40.800 0.003 0.000 1.349 87 D HN 1.393 nan 8.370 nan 0.000 0.508 88 G N 0.677 109.472 108.800 -0.008 0.000 2.160 88 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 88 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 88 G C 0.911 175.807 174.900 -0.007 0.000 1.022 88 G CA 1.087 46.188 45.100 0.000 0.000 0.741 88 G HN 0.802 nan 8.290 nan 0.000 0.508 89 T N -3.480 111.062 114.554 -0.021 0.000 2.896 89 T HA -0.031 4.319 4.350 -0.000 0.000 0.263 89 T C 2.265 176.955 174.700 -0.016 0.000 1.050 89 T CA 2.303 64.385 62.100 -0.029 0.000 1.140 89 T CB -0.381 68.463 68.868 -0.040 0.000 0.877 89 T HN 0.303 nan 8.240 nan 0.000 0.457 90 T N 2.343 116.891 114.554 -0.011 0.000 2.857 90 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 90 T C 2.237 176.939 174.700 0.003 0.000 1.048 90 T CA 1.722 63.819 62.100 -0.004 0.000 1.139 90 T CB -0.844 68.021 68.868 -0.004 0.000 0.874 90 T HN 0.563 nan 8.240 nan 0.000 0.455 91 T N 2.097 116.654 114.554 0.006 0.000 2.867 91 T HA 0.046 4.396 4.350 -0.000 0.000 0.268 91 T C 2.433 177.145 174.700 0.020 0.000 1.057 91 T CA 0.945 63.053 62.100 0.013 0.000 1.136 91 T CB -0.497 68.381 68.868 0.016 0.000 0.874 91 T HN 0.424 nan 8.240 nan 0.000 0.466 92 A N 1.865 124.697 122.820 0.020 0.000 1.877 92 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 92 A C 2.591 180.191 177.584 0.026 0.000 1.186 92 A CA 1.975 54.031 52.037 0.031 0.000 0.620 92 A CB -1.322 17.693 19.000 0.025 0.000 0.822 92 A HN 0.464 nan 8.150 nan 0.000 0.443 93 T N 0.085 114.647 114.554 0.014 0.000 2.867 93 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 93 T C 1.950 176.658 174.700 0.014 0.000 1.057 93 T CA 1.731 63.839 62.100 0.012 0.000 1.136 93 T CB -0.643 68.227 68.868 0.004 0.000 0.874 93 T HN 0.606 nan 8.240 nan 0.000 0.466 94 V N -0.083 119.839 119.914 0.013 0.000 2.515 94 V HA 0.007 4.127 4.120 -0.000 0.000 0.250 94 V C 2.210 178.314 176.094 0.016 0.000 1.058 94 V CA 1.230 63.538 62.300 0.012 0.000 1.064 94 V CB -1.070 30.759 31.823 0.010 0.000 0.675 94 V HN 0.384 nan 8.190 nan 0.000 0.461 95 L N 0.679 121.914 121.223 0.020 0.000 2.023 95 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 95 L C 3.088 179.973 176.870 0.024 0.000 1.073 95 L CA 1.660 56.514 54.840 0.023 0.000 0.745 95 L CB -0.933 41.144 42.059 0.030 0.000 0.900 95 L HN 0.382 nan 8.230 nan 0.000 0.435 96 A N -0.548 122.289 122.820 0.028 0.000 1.903 96 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 96 A C 2.252 179.849 177.584 0.022 0.000 1.191 96 A CA 2.262 54.316 52.037 0.029 0.000 0.638 96 A CB -0.773 18.247 19.000 0.032 0.000 0.823 96 A HN 0.533 nan 8.150 nan 0.000 0.451 97 Q N -0.790 119.021 119.800 0.018 0.000 2.061 97 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 97 Q C 2.249 178.258 176.000 0.014 0.000 0.984 97 Q CA 1.772 57.584 55.803 0.015 0.000 0.846 97 Q CB -0.346 28.400 28.738 0.012 0.000 0.902 97 Q HN 0.627 nan 8.270 nan 0.000 0.421 98 A N 0.409 123.237 122.820 0.014 0.000 2.019 98 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 98 A C 1.898 179.490 177.584 0.013 0.000 1.164 98 A CA 1.192 53.236 52.037 0.012 0.000 0.644 98 A CB -0.496 18.511 19.000 0.012 0.000 0.805 98 A HN 0.473 nan 8.150 nan 0.000 0.449 99 I N -0.823 119.756 120.570 0.015 0.000 2.333 99 I HA -0.147 4.023 4.170 -0.000 0.000 0.246 99 I C 2.211 178.336 176.117 0.014 0.000 1.106 99 I CA 0.893 62.202 61.300 0.014 0.000 1.411 99 I CB -0.296 37.714 38.000 0.016 0.000 1.082 99 I HN 0.236 nan 8.210 nan 0.000 0.420 100 I N 0.648 121.227 120.570 0.015 0.000 2.163 100 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 100 I C 2.586 178.711 176.117 0.012 0.000 1.081 100 I CA 1.616 62.925 61.300 0.015 0.000 1.353 100 I CB -0.587 37.424 38.000 0.017 0.000 1.054 100 I HN 0.226 nan 8.210 nan 0.000 0.407 101 T N 0.091 114.651 114.554 0.011 0.000 2.684 101 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 101 T C 1.778 176.483 174.700 0.008 0.000 1.036 101 T CA 1.233 63.339 62.100 0.009 0.000 1.148 101 T CB -0.213 68.660 68.868 0.008 0.000 0.863 101 T HN 0.272 nan 8.240 nan 0.000 0.436 102 E N 0.723 120.928 120.200 0.008 0.000 2.158 102 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 102 E C 2.531 179.136 176.600 0.008 0.000 0.982 102 E CA 0.806 57.210 56.400 0.007 0.000 0.823 102 E CB -0.717 28.988 29.700 0.008 0.000 0.766 102 E HN 0.575 nan 8.360 nan 0.000 0.468 103 G N 1.516 110.321 108.800 0.009 0.000 2.434 103 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 103 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 103 G C 1.714 176.620 174.900 0.009 0.000 1.202 103 G CA 0.445 45.551 45.100 0.009 0.000 0.788 103 G HN 0.177 nan 8.290 nan 0.000 0.539 104 L N 0.037 121.266 121.223 0.009 0.000 2.127 104 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 104 L C 2.912 179.786 176.870 0.007 0.000 1.089 104 L CA 1.079 55.924 54.840 0.009 0.000 0.757 104 L CB -0.330 41.734 42.059 0.009 0.000 0.899 104 L HN 0.201 nan 8.230 nan 0.000 0.434 105 K N 0.101 120.505 120.400 0.006 0.000 2.063 105 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 105 K C 2.207 178.810 176.600 0.005 0.000 1.048 105 K CA 1.528 57.817 56.287 0.005 0.000 0.928 105 K CB -0.173 32.330 32.500 0.005 0.000 0.713 105 K HN 0.326 nan 8.250 nan 0.000 0.442 106 A N 0.581 123.404 122.820 0.005 0.000 1.929 106 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 106 A C 2.248 179.835 177.584 0.006 0.000 1.176 106 A CA 1.151 53.191 52.037 0.005 0.000 0.628 106 A CB -0.376 18.628 19.000 0.006 0.000 0.816 106 A HN 0.084 nan 8.150 nan 0.000 0.444 107 V N -0.092 119.826 119.914 0.007 0.000 2.358 107 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 107 V C 2.945 179.043 176.094 0.007 0.000 1.047 107 V CA 1.827 64.131 62.300 0.008 0.000 1.035 107 V CB -1.319 30.510 31.823 0.010 0.000 0.658 107 V HN 0.561 nan 8.190 nan 0.000 0.452 108 A N 0.039 122.862 122.820 0.006 0.000 2.014 108 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 108 A C 2.341 179.927 177.584 0.003 0.000 1.163 108 A CA 1.572 53.612 52.037 0.004 0.000 0.652 108 A CB -0.552 18.450 19.000 0.003 0.000 0.808 108 A HN 0.560 nan 8.150 nan 0.000 0.449 109 A N -1.396 121.426 122.820 0.003 0.000 2.066 109 A HA 0.374 4.694 4.320 -0.000 0.000 0.218 109 A C 1.624 179.210 177.584 0.002 0.000 1.157 109 A CA 1.444 53.483 52.037 0.002 0.000 0.670 109 A CB -0.667 18.334 19.000 0.003 0.000 0.804 109 A HN 1.876 nan 8.150 nan 0.000 0.453 110 G N -1.604 107.198 108.800 0.003 0.000 2.468 110 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.143 110 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.143 110 G C -0.273 174.629 174.900 0.003 0.000 1.065 110 G CA -0.025 45.077 45.100 0.003 0.000 0.776 110 G HN 0.286 nan 8.290 nan 0.000 0.486 111 M N -0.061 119.542 119.600 0.004 0.000 2.598 111 M HA 0.353 4.833 4.480 -0.000 0.000 0.317 111 M C 0.417 176.721 176.300 0.006 0.000 1.179 111 M CA -0.763 54.539 55.300 0.004 0.000 0.936 111 M CB 1.783 34.386 32.600 0.004 0.000 1.713 111 M HN 0.218 nan 8.290 nan 0.000 0.460 112 N N 1.999 120.702 118.700 0.005 0.000 2.438 112 N HA 0.096 4.836 4.740 -0.000 0.000 0.267 112 N C -1.984 173.531 175.510 0.007 0.000 1.222 112 N CA -1.310 51.744 53.050 0.006 0.000 0.930 112 N CB 0.948 39.438 38.487 0.005 0.000 1.083 112 N HN 0.277 nan 8.380 nan 0.000 0.476 113 P HA -0.181 nan 4.420 nan 0.000 0.215 113 P C 1.382 178.688 177.300 0.009 0.000 1.153 113 P CA 1.060 64.166 63.100 0.011 0.000 0.853 113 P CB 0.201 31.909 31.700 0.014 0.000 0.788 114 M N -0.671 118.934 119.600 0.009 0.000 2.213 114 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 114 M C 1.129 177.432 176.300 0.005 0.000 1.062 114 M CA 1.669 56.974 55.300 0.007 0.000 1.105 114 M CB -1.352 31.252 32.600 0.007 0.000 1.385 114 M HN -0.052 nan 8.290 nan 0.000 0.417 115 D N -0.040 120.363 120.400 0.005 0.000 2.194 115 D HA -0.004 4.636 4.640 -0.000 0.000 0.204 115 D C 2.176 178.478 176.300 0.004 0.000 0.964 115 D CA 0.766 54.769 54.000 0.004 0.000 0.846 115 D CB -0.032 40.770 40.800 0.004 0.000 0.962 115 D HN 0.319 nan 8.370 nan 0.000 0.490 116 L N 0.608 121.834 121.223 0.005 0.000 2.109 116 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 116 L C 2.459 179.332 176.870 0.005 0.000 1.086 116 L CA 0.903 55.746 54.840 0.005 0.000 0.760 116 L CB -0.178 41.885 42.059 0.007 0.000 0.910 116 L HN -0.048 nan 8.230 nan 0.000 0.437 117 K N 0.551 120.954 120.400 0.005 0.000 2.026 117 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 117 K C 2.273 178.874 176.600 0.001 0.000 1.048 117 K CA 1.338 57.627 56.287 0.004 0.000 0.929 117 K CB 0.025 32.528 32.500 0.005 0.000 0.713 117 K HN 0.185 nan 8.250 nan 0.000 0.439 118 R N -0.365 120.135 120.500 0.001 0.000 2.120 118 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 118 R C 2.425 178.725 176.300 -0.001 0.000 1.123 118 R CA 1.218 57.317 56.100 -0.001 0.000 0.975 118 R CB -0.412 29.888 30.300 -0.000 0.000 0.866 118 R HN 0.380 nan 8.270 nan 0.000 0.446 119 G N 1.121 109.922 108.800 0.001 0.000 2.418 119 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 119 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 119 G C 1.425 176.326 174.900 0.001 0.000 1.158 119 G CA 0.550 45.651 45.100 0.002 0.000 0.771 119 G HN 0.146 nan 8.290 nan 0.000 0.545 120 I N 0.894 121.465 120.570 0.002 0.000 2.142 120 I HA -0.125 4.045 4.170 -0.000 0.000 0.240 120 I C 2.298 178.414 176.117 -0.002 0.000 1.078 120 I CA 1.266 62.567 61.300 0.002 0.000 1.343 120 I CB -0.159 37.843 38.000 0.003 0.000 1.046 120 I HN 0.029 nan 8.210 nan 0.000 0.405 121 D N 0.671 121.068 120.400 -0.005 0.000 2.178 121 D HA -0.195 4.445 4.640 -0.000 0.000 0.201 121 D C 2.083 178.377 176.300 -0.010 0.000 0.980 121 D CA 1.115 55.108 54.000 -0.010 0.000 0.842 121 D CB -0.146 40.646 40.800 -0.013 0.000 0.948 121 D HN 0.287 nan 8.370 nan 0.000 0.472 122 K N 0.559 120.956 120.400 -0.006 0.000 2.103 122 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 122 K C 1.991 178.589 176.600 -0.003 0.000 1.052 122 K CA 0.933 57.217 56.287 -0.004 0.000 0.945 122 K CB 0.067 32.565 32.500 -0.002 0.000 0.722 122 K HN -0.023 nan 8.250 nan 0.000 0.443 123 A N 0.587 123.406 122.820 -0.001 0.000 1.972 123 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 123 A C 2.151 179.735 177.584 0.000 0.000 1.169 123 A CA 1.351 53.389 52.037 0.001 0.000 0.635 123 A CB -0.408 18.594 19.000 0.003 0.000 0.810 123 A HN 0.164 nan 8.150 nan 0.000 0.446 124 V N -0.448 119.464 119.914 -0.003 0.000 2.323 124 V HA -0.176 3.944 4.120 -0.000 0.000 0.244 124 V C 2.715 178.804 176.094 -0.008 0.000 1.041 124 V CA 2.351 64.647 62.300 -0.005 0.000 1.025 124 V CB -1.129 30.687 31.823 -0.011 0.000 0.656 124 V HN 0.598 nan 8.190 nan 0.000 0.451 125 T N 0.619 115.166 114.554 -0.011 0.000 2.803 125 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 125 T C 1.957 176.653 174.700 -0.006 0.000 1.052 125 T CA 1.548 63.641 62.100 -0.012 0.000 1.136 125 T CB -0.363 68.498 68.868 -0.012 0.000 0.864 125 T HN 0.547 nan 8.240 nan 0.000 0.467 126 A N 1.060 123.878 122.820 -0.003 0.000 1.970 126 A HA 0.398 4.718 4.320 -0.000 0.000 0.216 126 A C 2.579 180.165 177.584 0.003 0.000 1.170 126 A CA 1.337 53.374 52.037 0.001 0.000 0.645 126 A CB -0.786 18.215 19.000 0.002 0.000 0.816 126 A HN 0.493 nan 8.150 nan 0.000 0.447 127 A N -0.534 122.288 122.820 0.003 0.000 1.929 127 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 127 A C 2.137 179.725 177.584 0.007 0.000 1.176 127 A CA 1.500 53.541 52.037 0.007 0.000 0.628 127 A CB -0.716 18.289 19.000 0.008 0.000 0.816 127 A HN 0.318 nan 8.150 nan 0.000 0.444 128 V N -0.026 119.890 119.914 0.003 0.000 2.427 128 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 128 V C 2.568 178.664 176.094 0.004 0.000 1.051 128 V CA 2.320 64.622 62.300 0.003 0.000 1.048 128 V CB -0.599 31.221 31.823 -0.005 0.000 0.666 128 V HN 0.599 nan 8.190 nan 0.000 0.456 129 E N 0.321 120.523 120.200 0.003 0.000 2.106 129 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 129 E C 2.121 178.726 176.600 0.007 0.000 0.984 129 E CA 1.241 57.644 56.400 0.004 0.000 0.806 129 E CB -0.167 29.535 29.700 0.003 0.000 0.750 129 E HN 0.603 nan 8.360 nan 0.000 0.458 130 E N -0.648 119.557 120.200 0.008 0.000 2.152 130 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 130 E C 1.746 178.354 176.600 0.013 0.000 0.983 130 E CA 0.435 56.842 56.400 0.011 0.000 0.818 130 E CB -0.196 29.511 29.700 0.012 0.000 0.758 130 E HN 0.211 nan 8.360 nan 0.000 0.467 131 L N 0.718 121.949 121.223 0.013 0.000 2.093 131 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 131 L C 1.841 178.720 176.870 0.015 0.000 1.085 131 L CA 1.652 56.501 54.840 0.016 0.000 0.755 131 L CB -0.170 41.898 42.059 0.016 0.000 0.904 131 L HN -0.002 nan 8.230 nan 0.000 0.435 132 K N -0.991 119.417 120.400 0.013 0.000 2.147 132 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 132 K C 1.994 178.601 176.600 0.012 0.000 1.049 132 K CA 1.189 57.483 56.287 0.012 0.000 0.936 132 K CB -0.256 32.249 32.500 0.010 0.000 0.722 132 K HN 0.406 nan 8.250 nan 0.000 0.446 133 A N 0.971 123.799 122.820 0.012 0.000 1.970 133 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 133 A C 1.927 179.520 177.584 0.015 0.000 1.170 133 A CA 0.780 52.824 52.037 0.012 0.000 0.645 133 A CB -0.251 18.756 19.000 0.012 0.000 0.816 133 A HN 0.209 nan 8.150 nan 0.000 0.447 134 L N -0.469 120.764 121.223 0.017 0.000 2.492 134 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 134 L C 1.097 177.979 176.870 0.020 0.000 1.132 134 L CA 0.088 54.940 54.840 0.020 0.000 0.850 134 L CB 0.013 42.086 42.059 0.023 0.000 0.966 134 L HN 0.352 nan 8.230 nan 0.000 0.454 135 S N -0.331 115.380 115.700 0.017 0.000 2.549 135 S HA 0.182 4.652 4.470 -0.000 0.000 0.279 135 S C -0.197 174.412 174.600 0.015 0.000 1.321 135 S CA -0.485 57.725 58.200 0.017 0.000 1.054 135 S CB 0.905 64.114 63.200 0.015 0.000 0.899 135 S HN 0.003 nan 8.310 nan 0.000 0.497 136 V N 8.550 128.474 119.914 0.015 0.000 2.311 136 V HA 0.353 4.473 4.120 -0.000 0.000 0.275 136 V C -2.095 174.006 176.094 0.012 0.000 1.022 136 V CA -1.779 60.529 62.300 0.014 0.000 0.830 136 V CB 0.818 32.650 31.823 0.015 0.000 1.012 136 V HN 0.746 nan 8.190 nan 0.000 0.452 137 P HA 0.205 nan 4.420 nan 0.000 0.272 137 P C -0.604 176.701 177.300 0.008 0.000 1.223 137 P CA -0.373 62.733 63.100 0.009 0.000 0.784 137 P CB 0.499 32.204 31.700 0.008 0.000 0.923 138 C N 2.292 121.596 119.300 0.007 0.000 2.250 138 C HA 0.306 4.766 4.460 -0.000 0.000 0.319 138 C C 1.613 176.605 174.990 0.003 0.000 1.124 138 C CA 0.260 59.281 59.018 0.005 0.000 1.527 138 C CB -0.710 27.033 27.740 0.005 0.000 2.001 138 C HN 0.588 nan 8.230 nan 0.000 0.435 139 S N 1.401 117.103 115.700 0.003 0.000 2.431 139 S HA 0.022 4.492 4.470 -0.000 0.000 0.210 139 S C 0.649 175.250 174.600 0.001 0.000 1.013 139 S CA 0.289 58.491 58.200 0.002 0.000 0.920 139 S CB -0.140 63.062 63.200 0.003 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.942 122.342 120.400 0.001 0.000 2.362 140 D HA 0.063 4.703 4.640 -0.000 0.000 0.242 140 D C 0.712 177.012 176.300 0.000 0.000 1.132 140 D CA 0.173 54.173 54.000 0.001 0.000 0.907 140 D CB 0.839 41.640 40.800 0.001 0.000 1.195 140 D HN 0.277 nan 8.370 nan 0.000 0.429 141 S N 0.149 115.849 115.700 -0.001 0.000 2.603 141 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 141 S C 1.370 175.970 174.600 -0.000 0.000 0.972 141 S CA 0.297 58.496 58.200 -0.001 0.000 0.935 141 S CB -0.182 63.016 63.200 -0.002 0.000 0.769 141 S HN 0.584 nan 8.310 nan 0.000 0.536 142 K N 1.032 121.432 120.400 0.000 0.000 2.166 142 K HA 0.298 4.618 4.320 -0.000 0.000 0.201 142 K C 2.142 178.743 176.600 0.001 0.000 1.052 142 K CA 0.753 57.041 56.287 0.001 0.000 0.969 142 K CB -0.329 32.172 32.500 0.001 0.000 0.761 142 K HN 0.408 nan 8.250 nan 0.000 0.459 143 A N 0.730 123.551 122.820 0.002 0.000 2.067 143 A HA 0.038 4.357 4.320 -0.000 0.000 0.217 143 A C 1.843 179.429 177.584 0.003 0.000 1.156 143 A CA 0.608 52.646 52.037 0.003 0.000 0.683 143 A CB -0.326 18.677 19.000 0.004 0.000 0.808 143 A HN 0.254 nan 8.150 nan 0.000 0.455 144 I N -0.307 120.264 120.570 0.002 0.000 2.315 144 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 144 I C 2.843 178.961 176.117 0.001 0.000 1.117 144 I CA 0.946 62.247 61.300 0.001 0.000 1.404 144 I CB -0.153 37.847 38.000 -0.001 0.000 1.071 144 I HN 0.339 nan 8.210 nan 0.000 0.419 145 A N 0.033 122.854 122.820 0.001 0.000 1.969 145 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 145 A C 2.242 179.827 177.584 0.001 0.000 1.169 145 A CA 1.277 53.315 52.037 0.001 0.000 0.635 145 A CB -0.454 18.546 19.000 0.000 0.000 0.810 145 A HN 0.444 nan 8.150 nan 0.000 0.445 146 Q N -0.489 119.312 119.800 0.002 0.000 2.124 146 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 146 Q C 2.084 178.085 176.000 0.003 0.000 0.977 146 Q CA 1.625 57.430 55.803 0.002 0.000 0.850 146 Q CB -0.257 28.483 28.738 0.003 0.000 0.901 146 Q HN 0.538 nan 8.270 nan 0.000 0.429 147 V N -0.075 119.842 119.914 0.004 0.000 2.379 147 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 147 V C 2.177 178.275 176.094 0.006 0.000 1.044 147 V CA 1.847 64.150 62.300 0.006 0.000 1.036 147 V CB -0.940 30.888 31.823 0.007 0.000 0.664 147 V HN 0.477 nan 8.190 nan 0.000 0.453 148 G N -0.435 108.369 108.800 0.005 0.000 2.471 148 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 148 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 148 G C 1.619 176.522 174.900 0.005 0.000 1.125 148 G CA 1.384 46.488 45.100 0.006 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.300 115.856 114.554 0.003 0.000 2.770 149 T HA 0.019 4.369 4.350 -0.000 0.000 0.258 149 T C 2.361 177.061 174.700 0.000 0.000 1.039 149 T CA 0.794 62.894 62.100 0.001 0.000 1.143 149 T CB -0.109 68.759 68.868 -0.000 0.000 0.866 149 T HN 0.266 nan 8.240 nan 0.000 0.428 150 I N 1.323 121.893 120.570 -0.000 0.000 2.546 150 I HA -0.049 4.121 4.170 -0.000 0.000 0.255 150 I C 2.354 178.470 176.117 -0.001 0.000 1.163 150 I CA 0.637 61.935 61.300 -0.002 0.000 1.457 150 I CB -0.299 37.699 38.000 -0.003 0.000 1.092 150 I HN 0.126 nan 8.210 nan 0.000 0.434 151 S N 0.852 116.554 115.700 0.003 0.000 2.453 151 S HA 0.086 4.556 4.470 -0.000 0.000 0.231 151 S C 1.670 176.273 174.600 0.005 0.000 1.005 151 S CA 0.928 59.132 58.200 0.006 0.000 0.949 151 S CB -0.037 63.170 63.200 0.013 0.000 0.774 151 S HN 0.501 nan 8.310 nan 0.000 0.510 152 A N 1.470 124.292 122.820 0.004 0.000 2.708 152 A HA 0.466 4.786 4.320 -0.000 0.000 0.293 152 A C 0.429 178.013 177.584 -0.001 0.000 1.303 152 A CA -0.518 51.520 52.037 0.003 0.000 0.949 152 A CB -0.558 18.445 19.000 0.004 0.000 1.121 152 A HN 0.311 nan 8.150 nan 0.000 0.542 153 N N 0.208 118.906 118.700 -0.003 0.000 2.681 153 N HA -0.203 4.537 4.740 -0.000 0.000 0.259 153 N C 0.200 175.707 175.510 -0.006 0.000 1.066 153 N CA 1.028 54.074 53.050 -0.006 0.000 0.717 153 N CB -1.874 36.609 38.487 -0.006 0.000 0.885 153 N HN 0.547 nan 8.380 nan 0.000 0.547 154 S N -1.095 114.602 115.700 -0.006 0.000 3.533 154 S HA -0.239 4.231 4.470 -0.000 0.000 0.347 154 S C -0.327 174.271 174.600 -0.004 0.000 1.101 154 S CA 0.979 59.176 58.200 -0.006 0.000 1.009 154 S CB -0.805 62.390 63.200 -0.008 0.000 0.916 154 S HN 0.726 nan 8.310 nan 0.000 0.496 155 D N 0.870 121.268 120.400 -0.003 0.000 2.359 155 D HA 0.263 4.903 4.640 -0.000 0.000 0.230 155 D C 0.984 177.283 176.300 -0.001 0.000 1.118 155 D CA -0.343 53.656 54.000 -0.002 0.000 0.844 155 D CB 0.765 41.564 40.800 -0.001 0.000 1.059 155 D HN 0.417 nan 8.370 nan 0.000 0.493 156 E N 1.169 121.368 120.200 -0.001 0.000 2.285 156 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 156 E C 1.315 177.915 176.600 -0.001 0.000 0.997 156 E CA 0.683 57.082 56.400 -0.001 0.000 0.845 156 E CB 0.430 30.130 29.700 -0.001 0.000 0.782 156 E HN 0.475 nan 8.360 nan 0.000 0.491 157 T N 0.555 115.109 114.554 -0.001 0.000 2.867 157 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 157 T C 2.113 176.813 174.700 -0.000 0.000 1.057 157 T CA 0.715 62.815 62.100 -0.001 0.000 1.136 157 T CB -0.060 68.808 68.868 -0.001 0.000 0.874 157 T HN -0.017 nan 8.240 nan 0.000 0.466 158 V N 1.679 121.593 119.914 0.000 0.000 2.270 158 V HA -0.030 4.090 4.120 -0.000 0.000 0.245 158 V C 2.954 179.049 176.094 0.001 0.000 1.043 158 V CA 1.945 64.246 62.300 0.002 0.000 1.014 158 V CB -1.410 30.415 31.823 0.003 0.000 0.645 158 V HN 0.563 nan 8.190 nan 0.000 0.447 159 G N -0.617 108.183 108.800 0.001 0.000 2.448 159 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 159 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 159 G C 1.643 176.543 174.900 -0.000 0.000 1.127 159 G CA 0.942 46.043 45.100 0.001 0.000 0.766 159 G HN 0.483 nan 8.290 nan 0.000 0.552 160 K N -0.187 120.213 120.400 -0.001 0.000 2.103 160 K HA 0.128 4.448 4.320 -0.000 0.000 0.204 160 K C 2.419 179.018 176.600 -0.002 0.000 1.052 160 K CA 0.495 56.781 56.287 -0.001 0.000 0.945 160 K CB -0.181 32.318 32.500 -0.001 0.000 0.722 160 K HN 0.324 nan 8.250 nan 0.000 0.443 161 L N 0.753 121.975 121.223 -0.002 0.000 2.056 161 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 161 L C 2.260 179.127 176.870 -0.004 0.000 1.078 161 L CA 0.957 55.795 54.840 -0.003 0.000 0.749 161 L CB -0.267 41.790 42.059 -0.002 0.000 0.901 161 L HN 0.180 nan 8.230 nan 0.000 0.433 162 I N -0.191 120.377 120.570 -0.004 0.000 2.179 162 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 162 I C 2.792 178.905 176.117 -0.006 0.000 1.088 162 I CA 1.219 62.516 61.300 -0.006 0.000 1.357 162 I CB -0.566 37.431 38.000 -0.004 0.000 1.051 162 I HN 0.179 nan 8.210 nan 0.000 0.409 163 A N 0.336 123.154 122.820 -0.005 0.000 1.933 163 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 163 A C 2.254 179.835 177.584 -0.005 0.000 1.175 163 A CA 1.703 53.738 52.037 -0.004 0.000 0.628 163 A CB -0.555 18.444 19.000 -0.003 0.000 0.814 163 A HN 0.457 nan 8.150 nan 0.000 0.444 164 E N -0.573 119.624 120.200 -0.005 0.000 2.152 164 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 164 E C 2.263 178.859 176.600 -0.006 0.000 0.983 164 E CA 0.712 57.109 56.400 -0.005 0.000 0.818 164 E CB -0.186 29.512 29.700 -0.004 0.000 0.758 164 E HN 0.629 nan 8.360 nan 0.000 0.467 165 A N 0.884 123.700 122.820 -0.007 0.000 1.929 165 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 165 A C 2.071 179.649 177.584 -0.010 0.000 1.176 165 A CA 0.979 53.011 52.037 -0.009 0.000 0.628 165 A CB -0.264 18.730 19.000 -0.011 0.000 0.816 165 A HN 0.128 nan 8.150 nan 0.000 0.444 166 M N -1.078 118.516 119.600 -0.010 0.000 2.492 166 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 166 M C 1.213 177.508 176.300 -0.008 0.000 1.090 166 M CA 1.172 56.465 55.300 -0.011 0.000 1.110 166 M CB -0.283 32.311 32.600 -0.011 0.000 1.407 166 M HN 0.335 nan 8.290 nan 0.000 0.470 167 D N 0.372 120.768 120.400 -0.007 0.000 2.347 167 D HA -0.048 4.592 4.640 -0.000 0.000 0.213 167 D C 1.993 178.289 176.300 -0.006 0.000 0.985 167 D CA 0.796 54.793 54.000 -0.006 0.000 0.879 167 D CB 0.434 41.231 40.800 -0.005 0.000 0.919 167 D HN 0.034 nan 8.370 nan 0.000 0.526 168 K N -0.480 119.916 120.400 -0.007 0.000 2.172 168 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 168 K C 1.900 178.496 176.600 -0.007 0.000 1.040 168 K CA 0.874 57.157 56.287 -0.006 0.000 0.974 168 K CB 0.055 32.551 32.500 -0.007 0.000 0.857 168 K HN 0.157 nan 8.250 nan 0.000 0.464 169 V N -2.469 117.440 119.914 -0.008 0.000 3.471 169 V HA 0.354 4.474 4.120 -0.000 0.000 0.258 169 V C 0.835 176.923 176.094 -0.009 0.000 1.192 169 V CA 0.432 62.727 62.300 -0.008 0.000 1.116 169 V CB -0.278 31.539 31.823 -0.010 0.000 0.792 169 V HN 0.390 nan 8.190 nan 0.000 0.459 170 G N 0.944 109.739 108.800 -0.009 0.000 2.566 170 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.599 170 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.599 170 G C 0.001 174.895 174.900 -0.011 0.000 1.292 170 G CA -0.003 45.092 45.100 -0.009 0.000 0.922 170 G HN 0.268 nan 8.290 nan 0.000 0.514 171 K N 0.014 120.408 120.400 -0.010 0.000 2.228 171 K HA 0.054 4.374 4.320 -0.000 0.000 0.202 171 K C 1.821 178.412 176.600 -0.014 0.000 1.051 171 K CA 1.425 57.705 56.287 -0.012 0.000 0.960 171 K CB 0.075 32.570 32.500 -0.009 0.000 0.743 171 K HN 0.465 nan 8.250 nan 0.000 0.458 172 E N 0.649 120.842 120.200 -0.012 0.000 2.447 172 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 172 E C 1.012 177.604 176.600 -0.014 0.000 1.028 172 E CA 0.073 56.466 56.400 -0.012 0.000 0.876 172 E CB 0.215 29.910 29.700 -0.008 0.000 0.885 172 E HN 0.238 nan 8.360 nan 0.000 0.500 173 G N 1.307 110.098 108.800 -0.014 0.000 2.664 173 G HA2 0.209 4.169 3.960 -0.000 0.000 0.242 173 G HA3 0.209 4.169 3.960 -0.000 0.000 0.242 173 G C 0.082 174.969 174.900 -0.021 0.000 1.225 173 G CA -0.428 44.663 45.100 -0.014 0.000 0.849 173 G HN -0.043 nan 8.290 nan 0.000 0.581 174 V N 1.181 121.083 119.914 -0.020 0.000 2.383 174 V HA 0.387 4.507 4.120 -0.000 0.000 0.275 174 V C 0.139 176.216 176.094 -0.028 0.000 1.036 174 V CA -0.221 62.063 62.300 -0.027 0.000 0.889 174 V CB 0.827 32.637 31.823 -0.022 0.000 0.985 174 V HN 0.482 nan 8.190 nan 0.000 0.459 175 I N 4.251 124.798 120.570 -0.037 0.000 2.436 175 I HA 0.601 4.771 4.170 -0.000 0.000 0.289 175 I C -0.045 176.052 176.117 -0.034 0.000 1.010 175 I CA -0.093 61.187 61.300 -0.033 0.000 1.098 175 I CB 2.241 40.221 38.000 -0.034 0.000 1.266 175 I HN 0.561 nan 8.210 nan 0.000 0.434 176 T N 4.589 119.129 114.554 -0.024 0.000 2.900 176 T HA 0.590 4.940 4.350 -0.000 0.000 0.295 176 T C -0.600 174.094 174.700 -0.010 0.000 1.044 176 T CA -0.648 61.441 62.100 -0.018 0.000 0.995 176 T CB 2.492 71.349 68.868 -0.019 0.000 1.072 176 T HN 0.158 nan 8.240 nan 0.000 0.473 177 V N 2.927 122.839 119.914 -0.003 0.000 2.459 177 V HA 0.601 4.721 4.120 -0.000 0.000 0.295 177 V C -0.155 175.939 176.094 0.000 0.000 1.029 177 V CA -0.627 61.673 62.300 0.000 0.000 0.874 177 V CB 1.526 33.354 31.823 0.007 0.000 0.985 177 V HN 1.030 nan 8.190 nan 0.000 0.438 178 E N 2.531 122.729 120.200 -0.002 0.000 2.445 178 E HA 0.499 4.849 4.350 -0.000 0.000 0.273 178 E C -1.504 175.094 176.600 -0.003 0.000 0.961 178 E CA -1.125 55.273 56.400 -0.003 0.000 0.807 178 E CB 1.469 31.164 29.700 -0.007 0.000 1.362 178 E HN 0.449 nan 8.360 nan 0.000 0.453 179 D N 0.596 120.994 120.400 -0.004 0.000 2.443 179 D HA 0.151 4.791 4.640 -0.000 0.000 0.239 179 D C 0.177 176.474 176.300 -0.005 0.000 1.136 179 D CA 0.530 54.527 54.000 -0.004 0.000 0.879 179 D CB 1.064 41.861 40.800 -0.005 0.000 1.195 179 D HN 0.538 nan 8.370 nan 0.000 0.443 180 G N -0.151 108.646 108.800 -0.004 0.000 2.537 180 G HA2 0.272 4.232 3.960 -0.000 0.000 0.273 180 G HA3 0.272 4.232 3.960 -0.000 0.000 0.273 180 G C 1.070 175.967 174.900 -0.005 0.000 1.189 180 G CA -0.227 44.870 45.100 -0.005 0.000 0.881 180 G HN 0.455 nan 8.290 nan 0.000 0.535 181 T N -2.221 112.330 114.554 -0.005 0.000 3.031 181 T HA 0.410 4.760 4.350 -0.000 0.000 0.254 181 T C 1.277 175.974 174.700 -0.005 0.000 1.060 181 T CA 1.126 63.222 62.100 -0.006 0.000 1.135 181 T CB 0.248 69.113 68.868 -0.006 0.000 0.896 181 T HN 0.995 nan 8.240 nan 0.000 0.472 182 G N 0.830 109.628 108.800 -0.004 0.000 3.319 182 G HA2 0.456 4.416 3.960 -0.000 0.000 0.158 182 G HA3 0.456 4.416 3.960 -0.000 0.000 0.158 182 G C -0.213 174.685 174.900 -0.003 0.000 1.205 182 G CA -0.011 45.087 45.100 -0.004 0.000 1.252 182 G HN 0.253 nan 8.290 nan 0.000 0.668 183 L N -0.053 121.168 121.223 -0.003 0.000 2.616 183 L HA 0.551 4.890 4.340 -0.000 0.000 0.229 183 L C 0.563 177.431 176.870 -0.003 0.000 1.110 183 L CA 0.544 55.382 54.840 -0.003 0.000 0.884 183 L CB 0.181 42.239 42.059 -0.003 0.000 1.115 183 L HN 0.408 nan 8.230 nan 0.000 0.481 184 Q N 0.083 119.881 119.800 -0.003 0.000 2.377 184 Q HA 0.286 4.626 4.340 -0.000 0.000 0.271 184 Q C -1.178 174.820 176.000 -0.003 0.000 1.077 184 Q CA -0.880 54.922 55.803 -0.003 0.000 0.820 184 Q CB 1.791 30.527 28.738 -0.003 0.000 1.347 184 Q HN 0.082 nan 8.270 nan 0.000 0.444 185 D N 2.674 123.072 120.400 -0.003 0.000 2.383 185 D HA 0.059 4.699 4.640 -0.000 0.000 0.252 185 D C -0.436 175.862 176.300 -0.004 0.000 1.166 185 D CA 0.597 54.595 54.000 -0.003 0.000 0.879 185 D CB 0.844 41.643 40.800 -0.003 0.000 1.164 185 D HN 0.334 nan 8.370 nan 0.000 0.462 186 E N 0.857 121.054 120.200 -0.004 0.000 2.212 186 E HA 0.563 4.913 4.350 -0.000 0.000 0.270 186 E C -0.730 175.866 176.600 -0.005 0.000 0.956 186 E CA -1.030 55.367 56.400 -0.005 0.000 0.825 186 E CB 2.301 31.998 29.700 -0.005 0.000 1.167 186 E HN 0.108 nan 8.360 nan 0.000 0.400 187 L N 2.703 123.923 121.223 -0.005 0.000 2.555 187 L HA 0.357 4.697 4.340 -0.000 0.000 0.264 187 L C -1.903 174.963 176.870 -0.006 0.000 0.972 187 L CA -0.271 54.566 54.840 -0.006 0.000 0.876 187 L CB 1.303 43.359 42.059 -0.006 0.000 1.216 187 L HN 0.386 nan 8.230 nan 0.000 0.415 188 D N 3.579 123.974 120.400 -0.007 0.000 2.433 188 D HA 0.556 5.196 4.640 -0.000 0.000 0.236 188 D C -0.880 175.415 176.300 -0.008 0.000 1.026 188 D CA -0.293 53.703 54.000 -0.007 0.000 0.884 188 D CB 2.961 43.756 40.800 -0.008 0.000 1.384 188 D HN 0.202 nan 8.370 nan 0.000 0.477 189 V N 1.488 121.398 119.914 -0.007 0.000 2.313 189 V HA 0.310 4.430 4.120 -0.000 0.000 0.278 189 V C 0.311 176.401 176.094 -0.006 0.000 1.017 189 V CA -0.699 61.597 62.300 -0.007 0.000 0.823 189 V CB 1.127 32.947 31.823 -0.006 0.000 1.010 189 V HN 0.418 nan 8.190 nan 0.000 0.443 190 V N 1.638 121.548 119.914 -0.007 0.000 2.881 190 V HA 0.648 4.768 4.120 -0.000 0.000 0.316 190 V C 0.074 176.166 176.094 -0.004 0.000 1.070 190 V CA -0.989 61.307 62.300 -0.007 0.000 0.976 190 V CB 1.940 33.757 31.823 -0.009 0.000 1.038 190 V HN 0.676 nan 8.190 nan 0.000 0.446 191 E N 2.330 122.528 120.200 -0.003 0.000 2.238 191 E HA 0.495 4.845 4.350 -0.000 0.000 0.264 191 E C 0.277 176.880 176.600 0.004 0.000 1.136 191 E CA 0.643 57.043 56.400 0.001 0.000 0.929 191 E CB 0.741 30.441 29.700 0.000 0.000 1.010 191 E HN 1.083 nan 8.360 nan 0.000 0.440 192 G N 1.701 110.507 108.800 0.008 0.000 2.721 192 G HA2 0.687 4.647 3.960 -0.000 0.000 0.296 192 G HA3 0.687 4.647 3.960 -0.000 0.000 0.296 192 G C -1.151 173.766 174.900 0.028 0.000 1.383 192 G CA -0.639 44.470 45.100 0.016 0.000 0.788 192 G HN 0.370 nan 8.290 nan 0.000 0.500 193 M N -0.011 119.616 119.600 0.045 0.000 2.520 193 M HA 0.498 4.978 4.480 -0.000 0.000 0.280 193 M C -2.042 174.305 176.300 0.078 0.000 1.232 193 M CA -0.629 54.716 55.300 0.075 0.000 0.892 193 M CB 2.723 35.392 32.600 0.115 0.000 1.728 193 M HN 0.629 nan 8.290 nan 0.000 0.475 194 Q N 3.625 123.470 119.800 0.074 0.000 2.323 194 Q HA 0.640 4.980 4.340 -0.000 0.000 0.271 194 Q C -2.099 173.952 176.000 0.084 0.000 1.048 194 Q CA -0.606 55.194 55.803 -0.005 0.000 0.792 194 Q CB 2.007 30.713 28.738 -0.053 0.000 1.280 194 Q HN 0.598 nan 8.270 nan 0.000 0.441 195 F N 0.016 119.966 119.950 -0.000 0.000 2.611 195 F HA 0.544 5.071 4.527 -0.000 0.000 0.324 195 F C -0.311 175.490 175.800 0.001 0.000 1.061 195 F CA -1.193 56.809 58.000 0.004 0.000 0.954 195 F CB 1.007 40.013 39.000 0.010 0.000 1.301 195 F HN 0.294 nan 8.300 nan 0.000 0.482 196 D N 2.485 123.007 120.400 0.203 0.000 2.934 196 D HA 0.166 4.806 4.640 -0.000 0.000 0.237 196 D C -0.104 176.257 176.300 0.102 0.000 1.158 196 D CA 0.297 54.347 54.000 0.084 0.000 0.971 196 D CB -0.216 40.633 40.800 0.081 0.000 1.123 196 D HN 0.262 nan 8.370 nan 0.000 0.467 197 R N -0.230 120.299 120.500 0.048 0.000 2.807 197 R HA 0.756 5.096 4.340 -0.000 0.000 0.276 197 R C 0.371 176.623 176.300 -0.080 0.000 0.979 197 R CA -0.875 55.267 56.100 0.069 0.000 0.928 197 R CB 2.153 32.650 30.300 0.329 0.000 1.191 197 R HN 0.167 nan 8.270 nan 0.000 0.471 198 G N 0.242 108.994 108.800 -0.081 0.000 2.714 198 G HA2 0.477 4.437 3.960 -0.000 0.000 0.292 198 G HA3 0.477 4.437 3.960 -0.000 0.000 0.292 198 G C -1.021 173.814 174.900 -0.107 0.000 1.308 198 G CA -0.734 44.244 45.100 -0.202 0.000 0.964 198 G HN 0.450 nan 8.290 nan 0.000 0.484 199 Y N -0.462 119.881 120.300 0.071 0.000 2.811 199 Y HA 0.206 4.756 4.550 -0.000 0.000 0.334 199 Y C 1.129 177.126 175.900 0.162 0.000 1.247 199 Y CA -0.729 57.465 58.100 0.156 0.000 1.526 199 Y CB 0.277 38.858 38.460 0.201 0.000 1.284 199 Y HN 0.219 nan 8.280 nan 0.000 0.586 200 L N 2.003 123.483 121.223 0.428 0.000 2.492 200 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 200 L C 0.799 177.784 176.870 0.192 0.000 1.132 200 L CA 0.812 55.815 54.840 0.271 0.000 0.850 200 L CB -0.048 42.163 42.059 0.254 0.000 0.966 200 L HN 0.753 nan 8.230 nan 0.000 0.454 201 S N -1.779 114.028 115.700 0.177 0.000 2.572 201 S HA 0.362 4.832 4.470 -0.000 0.000 0.274 201 S C -2.132 172.365 174.600 -0.171 0.000 1.150 201 S CA -1.021 57.122 58.200 -0.095 0.000 0.944 201 S CB 1.716 64.712 63.200 -0.340 0.000 1.071 201 S HN -0.246 nan 8.310 nan 0.000 0.479 202 P HA -0.067 nan 4.420 nan 0.000 0.220 202 P C 0.128 177.133 177.300 -0.491 0.000 1.144 202 P CA 1.055 63.862 63.100 -0.489 0.000 0.800 202 P CB -0.028 31.387 31.700 -0.474 0.000 0.772 203 Y N -3.028 117.087 120.300 -0.308 0.000 2.470 203 Y HA 0.161 4.711 4.550 -0.000 0.000 0.302 203 Y C 1.355 177.124 175.900 -0.218 0.000 1.194 203 Y CA -0.544 57.404 58.100 -0.254 0.000 1.271 203 Y CB -1.182 37.151 38.460 -0.213 0.000 1.092 203 Y HN -0.061 nan 8.280 nan 0.000 0.513 204 F N -0.424 119.498 119.950 -0.046 0.000 2.789 204 F HA 0.136 4.663 4.527 0.000 0.000 0.300 204 F C 1.094 176.843 175.800 -0.085 0.000 1.132 204 F CA -0.732 57.241 58.000 -0.046 0.000 1.404 204 F CB -0.453 38.529 39.000 -0.029 0.000 1.114 204 F HN -0.125 nan 8.300 nan 0.000 0.584 205 I N 1.453 122.030 120.570 0.012 0.000 2.836 205 I HA -0.100 4.070 4.170 -0.000 0.000 0.285 205 I C 0.667 176.793 176.117 0.016 0.000 1.174 205 I CA 0.532 61.808 61.300 -0.041 0.000 1.405 205 I CB 0.497 38.418 38.000 -0.131 0.000 1.385 205 I HN 0.154 nan 8.210 nan 0.000 0.594 206 N N 2.336 121.042 118.700 0.009 0.000 2.036 206 N HA 0.062 4.802 4.740 -0.000 0.000 0.228 206 N C -0.485 175.025 175.510 0.000 0.000 1.368 206 N CA -0.290 52.765 53.050 0.008 0.000 0.846 206 N CB 0.424 38.920 38.487 0.015 0.000 1.145 206 N HN 0.252 nan 8.380 nan 0.000 0.502 207 K N 1.085 121.485 120.400 0.001 0.000 2.800 207 K HA 0.371 4.691 4.320 -0.000 0.000 0.185 207 K C -2.137 174.462 176.600 -0.001 0.000 1.082 207 K CA -1.576 54.711 56.287 0.000 0.000 0.978 207 K CB 1.857 34.361 32.500 0.006 0.000 1.364 207 K HN 0.010 nan 8.250 nan 0.000 0.592 208 P HA -0.091 nan 4.420 nan 0.000 0.222 208 P C 0.739 178.037 177.300 -0.002 0.000 1.147 208 P CA 0.950 64.048 63.100 -0.004 0.000 0.790 208 P CB 0.406 32.104 31.700 -0.003 0.000 0.780 209 E N -1.204 118.994 120.200 -0.004 0.000 2.418 209 E HA -0.067 4.282 4.350 -0.000 0.000 0.197 209 E C 1.149 177.744 176.600 -0.008 0.000 1.026 209 E CA 1.393 57.789 56.400 -0.007 0.000 0.862 209 E CB -0.195 29.500 29.700 -0.007 0.000 0.799 209 E HN 0.414 nan 8.360 nan 0.000 0.518 210 T N -4.627 109.926 114.554 -0.001 0.000 2.975 210 T HA 0.262 4.612 4.350 -0.000 0.000 0.257 210 T C 1.309 176.020 174.700 0.018 0.000 1.003 210 T CA 0.141 62.242 62.100 0.001 0.000 0.932 210 T CB 0.928 69.802 68.868 0.010 0.000 1.087 210 T HN 0.120 nan 8.240 nan 0.000 0.512 211 G N 1.441 110.254 108.800 0.021 0.000 2.298 211 G HA2 0.209 4.169 3.960 -0.000 0.000 0.287 211 G HA3 0.209 4.169 3.960 -0.000 0.000 0.287 211 G C 0.027 174.980 174.900 0.087 0.000 1.075 211 G CA -0.104 45.020 45.100 0.041 0.000 0.960 211 G HN 1.298 nan 8.290 nan 0.000 0.502 212 A N -0.888 121.965 122.820 0.054 0.000 2.475 212 A HA 0.869 5.189 4.320 -0.000 0.000 0.301 212 A C -0.165 177.449 177.584 0.050 0.000 1.059 212 A CA -0.341 51.748 52.037 0.086 0.000 0.710 212 A CB 2.089 21.132 19.000 0.072 0.000 1.288 212 A HN 1.302 nan 8.150 nan 0.000 0.408 213 V N 1.306 121.267 119.914 0.078 0.000 2.465 213 V HA 0.485 4.605 4.120 -0.000 0.000 0.279 213 V C 0.184 176.295 176.094 0.029 0.000 1.045 213 V CA -0.095 62.235 62.300 0.050 0.000 0.938 213 V CB 1.173 33.038 31.823 0.070 0.000 0.986 213 V HN 0.925 nan 8.190 nan 0.000 0.467 214 E N 4.274 124.481 120.200 0.012 0.000 2.343 214 E HA 0.544 4.894 4.350 -0.000 0.000 0.260 214 E C -1.559 175.037 176.600 -0.007 0.000 0.908 214 E CA -0.442 55.959 56.400 0.002 0.000 0.814 214 E CB 1.281 30.984 29.700 0.004 0.000 1.302 214 E HN 0.624 nan 8.360 nan 0.000 0.408 215 L N 2.731 123.945 121.223 -0.016 0.000 2.334 215 L HA 0.566 4.906 4.340 -0.000 0.000 0.273 215 L C -0.052 176.801 176.870 -0.028 0.000 1.013 215 L CA -0.900 53.928 54.840 -0.020 0.000 0.816 215 L CB 1.744 43.787 42.059 -0.026 0.000 1.278 215 L HN 0.396 nan 8.230 nan 0.000 0.431 216 E N 1.000 121.182 120.200 -0.030 0.000 2.176 216 E HA 0.245 4.595 4.350 -0.000 0.000 0.267 216 E C -0.492 176.067 176.600 -0.069 0.000 0.893 216 E CA -0.550 55.825 56.400 -0.041 0.000 0.761 216 E CB 1.811 31.495 29.700 -0.027 0.000 1.133 216 E HN 0.619 nan 8.360 nan 0.000 0.409 217 S N 2.101 117.745 115.700 -0.094 0.000 3.550 217 S HA -0.120 4.350 4.470 -0.000 0.000 0.372 217 S C -2.146 172.293 174.600 -0.269 0.000 0.966 217 S CA 0.169 58.273 58.200 -0.160 0.000 1.229 217 S CB -1.140 61.972 63.200 -0.147 0.000 0.917 217 S HN 0.442 nan 8.310 nan 0.000 0.496 218 P HA 0.497 nan 4.420 nan 0.000 0.276 218 P C -0.166 176.940 177.300 -0.324 0.000 1.252 218 P CA -0.505 62.481 63.100 -0.190 0.000 0.802 218 P CB 0.457 32.117 31.700 -0.067 0.000 1.035 219 F N -0.024 119.922 119.950 -0.007 0.000 2.422 219 F HA 0.476 5.003 4.527 -0.000 0.000 0.333 219 F C 0.757 176.555 175.800 -0.004 0.000 1.095 219 F CA -0.511 57.486 58.000 -0.004 0.000 1.038 219 F CB 0.953 39.950 39.000 -0.005 0.000 1.156 219 F HN 0.023 nan 8.300 nan 0.000 0.483 220 I N 3.698 124.377 120.570 0.183 0.000 2.474 220 I HA 0.356 4.526 4.170 -0.000 0.000 0.294 220 I C -1.186 174.989 176.117 0.096 0.000 1.005 220 I CA -0.998 60.367 61.300 0.108 0.000 1.113 220 I CB 2.012 40.057 38.000 0.075 0.000 1.289 220 I HN 0.328 nan 8.210 nan 0.000 0.436 221 L N 7.209 128.471 121.223 0.065 0.000 2.307 221 L HA 0.567 4.907 4.340 -0.000 0.000 0.284 221 L C -1.114 175.775 176.870 0.031 0.000 1.023 221 L CA -0.177 54.688 54.840 0.043 0.000 0.810 221 L CB 1.285 43.362 42.059 0.030 0.000 1.231 221 L HN 0.421 nan 8.230 nan 0.000 0.423 222 L N 5.841 127.077 121.223 0.021 0.000 2.318 222 L HA 0.800 5.140 4.340 -0.000 0.000 0.277 222 L C -0.419 176.453 176.870 0.004 0.000 1.008 222 L CA -0.427 54.417 54.840 0.007 0.000 0.846 222 L CB 1.413 43.473 42.059 0.001 0.000 1.220 222 L HN 0.743 nan 8.230 nan 0.000 0.423 223 A N 1.556 124.378 122.820 0.003 0.000 2.353 223 A HA 0.463 4.783 4.320 -0.000 0.000 0.299 223 A C -0.838 176.747 177.584 0.002 0.000 1.089 223 A CA -0.495 51.545 52.037 0.005 0.000 0.736 223 A CB 1.171 20.179 19.000 0.012 0.000 1.195 223 A HN 0.646 nan 8.150 nan 0.000 0.447 224 D N 2.373 122.773 120.400 -0.001 0.000 2.741 224 D HA 0.396 5.036 4.640 -0.000 0.000 0.233 224 D C 0.022 176.325 176.300 0.005 0.000 1.160 224 D CA 0.324 54.323 54.000 -0.002 0.000 1.003 224 D CB -0.461 40.335 40.800 -0.007 0.000 1.064 224 D HN 0.616 nan 8.370 nan 0.000 0.503 225 K N -0.793 119.614 120.400 0.011 0.000 2.735 225 K HA 0.327 4.647 4.320 -0.000 0.000 0.295 225 K C -1.078 175.535 176.600 0.022 0.000 1.052 225 K CA -1.166 55.131 56.287 0.015 0.000 0.853 225 K CB 0.711 33.219 32.500 0.014 0.000 1.535 225 K HN -0.225 nan 8.250 nan 0.000 0.383 226 K N 1.559 121.973 120.400 0.024 0.000 2.250 226 K HA 0.308 4.628 4.320 -0.000 0.000 0.285 226 K C -0.617 176.001 176.600 0.030 0.000 1.097 226 K CA -0.307 55.998 56.287 0.029 0.000 0.913 226 K CB 0.222 32.739 32.500 0.029 0.000 1.179 226 K HN 0.370 nan 8.250 nan 0.000 0.462 227 I N 2.841 123.432 120.570 0.035 0.000 2.389 227 I HA -0.077 4.093 4.170 -0.000 0.000 0.295 227 I C 0.819 176.959 176.117 0.039 0.000 1.117 227 I CA 0.397 61.718 61.300 0.036 0.000 1.317 227 I CB 0.736 38.760 38.000 0.041 0.000 1.431 227 I HN 0.650 nan 8.210 nan 0.000 0.521 228 S N 3.828 119.547 115.700 0.032 0.000 2.539 228 S HA 0.150 4.620 4.470 -0.000 0.000 0.226 228 S C 0.481 175.098 174.600 0.028 0.000 1.054 228 S CA -0.104 58.114 58.200 0.030 0.000 0.910 228 S CB 0.148 63.363 63.200 0.025 0.000 0.818 228 S HN 0.645 nan 8.310 nan 0.000 0.490 229 N N 1.042 119.758 118.700 0.025 0.000 2.421 229 N HA 0.360 5.100 4.740 -0.000 0.000 0.285 229 N C 0.478 176.003 175.510 0.025 0.000 1.027 229 N CA -0.270 52.794 53.050 0.023 0.000 0.918 229 N CB 1.561 40.059 38.487 0.017 0.000 1.152 229 N HN -0.004 nan 8.380 nan 0.000 0.485 230 I N 2.553 123.138 120.570 0.026 0.000 2.286 230 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 230 I C 2.321 178.450 176.117 0.020 0.000 1.115 230 I CA 1.413 62.729 61.300 0.027 0.000 1.392 230 I CB -0.092 37.925 38.000 0.027 0.000 1.065 230 I HN 0.553 nan 8.210 nan 0.000 0.418 231 R N 0.535 121.044 120.500 0.016 0.000 2.185 231 R HA -0.231 4.109 4.340 -0.000 0.000 0.247 231 R C 1.981 178.287 176.300 0.009 0.000 1.159 231 R CA 1.997 58.103 56.100 0.011 0.000 0.988 231 R CB -0.212 30.094 30.300 0.010 0.000 0.871 231 R HN 0.563 nan 8.270 nan 0.000 0.458 232 E N -0.687 119.519 120.200 0.011 0.000 2.158 232 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 232 E C 1.910 178.514 176.600 0.007 0.000 0.982 232 E CA 0.745 57.150 56.400 0.008 0.000 0.823 232 E CB 0.076 29.783 29.700 0.011 0.000 0.766 232 E HN 0.320 nan 8.360 nan 0.000 0.468 233 M N 0.540 120.146 119.600 0.011 0.000 2.319 233 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 233 M C 2.267 178.568 176.300 0.001 0.000 1.068 233 M CA 0.875 56.181 55.300 0.009 0.000 1.118 233 M CB -0.722 31.889 32.600 0.019 0.000 1.395 233 M HN 0.165 nan 8.290 nan 0.000 0.435 234 L N 0.298 121.522 121.223 0.002 0.000 2.026 234 L HA -0.279 4.061 4.340 -0.000 0.000 0.231 234 L C -0.391 176.472 176.870 -0.012 0.000 1.095 234 L CA 2.172 57.011 54.840 -0.003 0.000 0.810 234 L CB -2.472 39.586 42.059 -0.001 0.000 0.909 234 L HN 0.202 nan 8.230 nan 0.000 0.444 235 P HA -0.070 nan 4.420 nan 0.000 0.221 235 P C 1.833 179.110 177.300 -0.038 0.000 1.150 235 P CA 0.818 63.904 63.100 -0.024 0.000 0.800 235 P CB 0.127 31.815 31.700 -0.020 0.000 0.787 236 V N -0.250 119.643 119.914 -0.036 0.000 2.323 236 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 236 V C 2.454 178.509 176.094 -0.065 0.000 1.041 236 V CA 1.488 63.756 62.300 -0.054 0.000 1.025 236 V CB -1.191 30.610 31.823 -0.038 0.000 0.656 236 V HN 0.040 nan 8.190 nan 0.000 0.451 237 L N -0.244 120.957 121.223 -0.038 0.000 2.042 237 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 237 L C 2.468 179.314 176.870 -0.040 0.000 1.076 237 L CA 1.871 56.693 54.840 -0.030 0.000 0.749 237 L CB -0.608 41.448 42.059 -0.006 0.000 0.893 237 L HN 0.392 nan 8.230 nan 0.000 0.432 238 E N -0.339 119.839 120.200 -0.037 0.000 2.358 238 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 238 E C 1.647 178.214 176.600 -0.056 0.000 1.010 238 E CA 0.636 57.015 56.400 -0.036 0.000 0.856 238 E CB 0.072 29.757 29.700 -0.025 0.000 0.795 238 E HN 0.432 nan 8.360 nan 0.000 0.504 239 A N 0.193 122.964 122.820 -0.082 0.000 2.379 239 A HA 0.166 4.486 4.320 -0.000 0.000 0.236 239 A C 1.550 179.011 177.584 -0.205 0.000 1.272 239 A CA -0.010 51.954 52.037 -0.121 0.000 0.886 239 A CB 0.475 19.405 19.000 -0.117 0.000 0.962 239 A HN 0.103 nan 8.150 nan 0.000 0.504 240 V N -1.566 118.245 119.914 -0.172 0.000 3.455 240 V HA 0.070 4.190 4.120 -0.000 0.000 0.250 240 V C 2.603 178.648 176.094 -0.081 0.000 1.230 240 V CA 1.196 63.373 62.300 -0.205 0.000 1.105 240 V CB 0.309 32.044 31.823 -0.147 0.000 0.850 240 V HN 0.526 nan 8.190 nan 0.000 0.461 241 A N -0.262 122.529 122.820 -0.050 0.000 1.873 241 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 241 A C 1.477 179.051 177.584 -0.018 0.000 1.186 241 A CA 1.114 53.140 52.037 -0.017 0.000 0.616 241 A CB -0.239 18.753 19.000 -0.013 0.000 0.823 241 A HN 0.440 nan 8.150 nan 0.000 0.442 242 K N -1.577 118.800 120.400 -0.038 0.000 2.380 242 K HA 0.305 4.625 4.320 -0.000 0.000 0.267 242 K C 1.119 177.696 176.600 -0.039 0.000 0.990 242 K CA 0.430 56.696 56.287 -0.034 0.000 0.946 242 K CB 0.269 32.742 32.500 -0.045 0.000 0.937 242 K HN 0.749 nan 8.250 nan 0.000 0.491 243 A N 2.145 124.964 122.820 -0.001 0.000 2.070 243 A HA -0.229 4.091 4.320 -0.000 0.000 0.231 243 A C 1.003 178.641 177.584 0.091 0.000 0.501 243 A CA 1.758 53.827 52.037 0.054 0.000 1.119 243 A CB -2.368 16.672 19.000 0.066 0.000 1.430 243 A HN 1.648 nan 8.150 nan 0.000 0.706 244 G N -1.029 107.821 108.800 0.084 0.000 2.520 244 G HA2 0.082 4.042 3.960 -0.000 0.000 0.264 244 G HA3 0.082 4.042 3.960 -0.000 0.000 0.264 244 G C -0.396 174.579 174.900 0.124 0.000 1.140 244 G CA 1.264 46.414 45.100 0.082 0.000 1.012 244 G HN 1.242 nan 8.290 nan 0.000 0.511 245 K N 0.205 120.728 120.400 0.205 0.000 2.482 245 K HA 0.654 4.974 4.320 -0.000 0.000 0.257 245 K C -2.333 174.400 176.600 0.222 0.000 0.969 245 K CA -2.068 54.348 56.287 0.216 0.000 0.842 245 K CB 2.955 35.609 32.500 0.258 0.000 1.359 245 K HN 0.091 nan 8.250 nan 0.000 0.441 246 P HA 0.119 nan 4.420 nan 0.000 0.274 246 P C -1.232 176.156 177.300 0.146 0.000 1.260 246 P CA -0.425 62.731 63.100 0.094 0.000 0.793 246 P CB 0.583 32.302 31.700 0.032 0.000 1.048 247 L N 0.436 121.704 121.223 0.074 0.000 2.464 247 L HA 0.532 4.872 4.340 -0.000 0.000 0.266 247 L C -1.498 175.368 176.870 -0.005 0.000 0.965 247 L CA -0.892 53.994 54.840 0.077 0.000 0.833 247 L CB 1.625 43.723 42.059 0.065 0.000 1.296 247 L HN 0.207 nan 8.230 nan 0.000 0.405 248 L N 5.873 127.104 121.223 0.012 0.000 2.322 248 L HA 0.723 5.063 4.340 -0.000 0.000 0.281 248 L C -1.266 175.610 176.870 0.010 0.000 1.014 248 L CA -0.277 54.549 54.840 -0.023 0.000 0.815 248 L CB 1.432 43.491 42.059 0.001 0.000 1.247 248 L HN 0.457 nan 8.230 nan 0.000 0.421 249 I N 6.309 126.875 120.570 -0.007 0.000 2.378 249 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 249 I C -0.341 175.805 176.117 0.049 0.000 0.992 249 I CA -0.428 60.887 61.300 0.025 0.000 1.154 249 I CB 1.254 39.269 38.000 0.025 0.000 1.315 249 I HN 0.554 nan 8.210 nan 0.000 0.448 250 I N 5.177 125.779 120.570 0.052 0.000 2.378 250 I HA 0.788 4.958 4.170 -0.000 0.000 0.291 250 I C 0.092 176.223 176.117 0.023 0.000 0.992 250 I CA -0.421 60.909 61.300 0.050 0.000 1.154 250 I CB 1.842 39.860 38.000 0.031 0.000 1.315 250 I HN 0.755 nan 8.210 nan 0.000 0.448 251 A N 4.302 127.139 122.820 0.029 0.000 2.612 251 A HA 0.357 4.677 4.320 -0.000 0.000 0.293 251 A C 0.577 178.179 177.584 0.029 0.000 1.075 251 A CA -0.564 51.486 52.037 0.023 0.000 0.680 251 A CB 1.499 20.518 19.000 0.031 0.000 1.279 251 A HN 0.820 nan 8.150 nan 0.000 0.411 252 E N 0.092 120.306 120.200 0.024 0.000 2.132 252 E HA -0.264 4.086 4.350 -0.000 0.000 0.218 252 E C 0.027 176.654 176.600 0.045 0.000 1.058 252 E CA 2.305 58.724 56.400 0.032 0.000 0.882 252 E CB 0.080 29.799 29.700 0.032 0.000 0.774 252 E HN 0.644 nan 8.360 nan 0.000 0.467 253 D N -2.081 118.348 120.400 0.047 0.000 2.615 253 D HA 0.312 4.952 4.640 -0.000 0.000 0.267 253 D C -1.776 174.561 176.300 0.061 0.000 1.236 253 D CA -0.538 53.495 54.000 0.056 0.000 0.839 253 D CB 2.289 43.119 40.800 0.049 0.000 1.380 253 D HN -0.071 nan 8.370 nan 0.000 0.433 254 V N 1.628 121.587 119.914 0.075 0.000 2.531 254 V HA 0.499 4.619 4.120 -0.000 0.000 0.301 254 V C -0.345 175.792 176.094 0.071 0.000 1.034 254 V CA -0.585 61.764 62.300 0.081 0.000 0.865 254 V CB 1.786 33.679 31.823 0.116 0.000 0.995 254 V HN 0.493 nan 8.190 nan 0.000 0.424 255 E N 2.356 122.590 120.200 0.057 0.000 2.317 255 E HA 0.620 4.970 4.350 -0.000 0.000 0.270 255 E C 0.801 177.424 176.600 0.038 0.000 0.885 255 E CA 0.259 56.685 56.400 0.043 0.000 0.760 255 E CB 2.200 31.921 29.700 0.035 0.000 1.227 255 E HN 0.868 nan 8.360 nan 0.000 0.434 256 G N 3.019 111.836 108.800 0.029 0.000 2.702 256 G HA2 -0.513 3.447 3.960 -0.000 0.000 0.342 256 G HA3 -0.513 3.447 3.960 -0.000 0.000 0.342 256 G C 1.067 175.982 174.900 0.025 0.000 1.258 256 G CA 1.041 46.154 45.100 0.023 0.000 0.990 256 G HN 0.761 nan 8.290 nan 0.000 0.548 257 E N 0.743 120.957 120.200 0.024 0.000 2.065 257 E HA -0.165 4.185 4.350 -0.000 0.000 0.201 257 E C 2.975 179.595 176.600 0.033 0.000 1.016 257 E CA 2.364 58.778 56.400 0.024 0.000 0.818 257 E CB -0.508 29.204 29.700 0.021 0.000 0.749 257 E HN 0.858 nan 8.360 nan 0.000 0.453 258 A N 0.937 123.781 122.820 0.039 0.000 1.877 258 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 258 A C 2.152 179.779 177.584 0.071 0.000 1.186 258 A CA 1.522 53.590 52.037 0.052 0.000 0.620 258 A CB -0.785 18.246 19.000 0.053 0.000 0.822 258 A HN 0.401 nan 8.150 nan 0.000 0.443 259 L N -0.111 121.154 121.223 0.069 0.000 1.943 259 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 259 L C 2.720 179.621 176.870 0.052 0.000 1.074 259 L CA 2.690 57.578 54.840 0.081 0.000 0.759 259 L CB -1.027 41.066 42.059 0.058 0.000 0.888 259 L HN 0.343 nan 8.230 nan 0.000 0.433 260 A N -1.406 121.428 122.820 0.024 0.000 1.917 260 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 260 A C 2.235 179.830 177.584 0.019 0.000 1.182 260 A CA 2.742 54.783 52.037 0.007 0.000 0.633 260 A CB -1.485 17.520 19.000 0.008 0.000 0.819 260 A HN 0.645 nan 8.150 nan 0.000 0.448 261 T N 0.493 115.068 114.554 0.035 0.000 2.652 261 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 261 T C 1.838 176.578 174.700 0.066 0.000 1.039 261 T CA 1.453 63.578 62.100 0.041 0.000 1.153 261 T CB -0.475 68.417 68.868 0.040 0.000 0.863 261 T HN 0.357 nan 8.240 nan 0.000 0.428 262 L N 0.712 121.996 121.223 0.102 0.000 2.043 262 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 262 L C 2.655 179.661 176.870 0.226 0.000 1.075 262 L CA 1.128 56.075 54.840 0.178 0.000 0.752 262 L CB -0.699 41.510 42.059 0.251 0.000 0.891 262 L HN 0.187 nan 8.230 nan 0.000 0.432 263 V N -1.106 118.866 119.914 0.096 0.000 2.229 263 V HA -0.268 3.852 4.120 -0.000 0.000 0.243 263 V C 2.234 178.334 176.094 0.009 0.000 1.042 263 V CA 1.747 64.006 62.300 -0.068 0.000 1.000 263 V CB -0.318 31.360 31.823 -0.243 0.000 0.637 263 V HN 0.236 nan 8.190 nan 0.000 0.446 264 V N 0.472 120.388 119.914 0.003 0.000 2.343 264 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 264 V C 2.408 178.513 176.094 0.019 0.000 1.051 264 V CA 2.619 64.918 62.300 -0.001 0.000 1.036 264 V CB -0.683 31.136 31.823 -0.007 0.000 0.654 264 V HN 0.667 nan 8.190 nan 0.000 0.451 265 N N 0.339 119.063 118.700 0.040 0.000 2.104 265 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 265 N C 1.910 177.453 175.510 0.056 0.000 1.024 265 N CA 2.342 55.418 53.050 0.043 0.000 0.853 265 N CB -0.419 38.097 38.487 0.050 0.000 1.008 265 N HN 0.716 nan 8.380 nan 0.000 0.424 266 T N -2.629 111.983 114.554 0.096 0.000 3.067 266 T HA 0.059 4.409 4.350 -0.000 0.000 0.261 266 T C 1.958 176.714 174.700 0.095 0.000 1.110 266 T CA 0.398 62.565 62.100 0.112 0.000 1.113 266 T CB -0.083 68.896 68.868 0.185 0.000 0.917 266 T HN 0.138 nan 8.240 nan 0.000 0.499 267 M N 0.317 119.959 119.600 0.069 0.000 2.236 267 M HA 0.179 4.659 4.480 -0.000 0.000 0.266 267 M C 2.619 178.915 176.300 -0.007 0.000 1.070 267 M CA 0.894 56.208 55.300 0.023 0.000 1.137 267 M CB -0.017 32.569 32.600 -0.024 0.000 1.378 267 M HN 0.095 nan 8.290 nan 0.000 0.426 268 R N -0.443 120.054 120.500 -0.005 0.000 2.091 268 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 268 R C 1.534 177.829 176.300 -0.007 0.000 1.136 268 R CA 1.577 57.669 56.100 -0.013 0.000 0.959 268 R CB -0.126 30.170 30.300 -0.006 0.000 0.856 268 R HN 0.693 nan 8.270 nan 0.000 0.437 269 G N -0.392 108.412 108.800 0.007 0.000 3.288 269 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.195 269 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.195 269 G C 0.153 175.063 174.900 0.016 0.000 1.093 269 G CA -0.360 44.745 45.100 0.008 0.000 0.852 269 G HN 0.124 nan 8.290 nan 0.000 0.453 270 I N 3.103 123.682 120.570 0.015 0.000 2.948 270 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 270 I C 0.897 177.030 176.117 0.027 0.000 1.181 270 I CA 0.514 61.824 61.300 0.017 0.000 1.372 270 I CB -0.501 37.507 38.000 0.015 0.000 1.443 270 I HN 0.342 nan 8.210 nan 0.000 0.554 271 V N 3.678 123.608 119.914 0.026 0.000 3.576 271 V HA -0.233 3.887 4.120 -0.000 0.000 0.511 271 V C -0.031 176.088 176.094 0.042 0.000 0.682 271 V CA 0.173 62.492 62.300 0.032 0.000 2.064 271 V CB -0.512 31.327 31.823 0.028 0.000 2.487 271 V HN 0.851 nan 8.190 nan 0.000 0.511 272 K N 3.551 123.975 120.400 0.040 0.000 2.347 272 K HA 0.729 5.049 4.320 -0.000 0.000 0.262 272 K C -0.944 175.666 176.600 0.017 0.000 1.052 272 K CA -0.333 55.976 56.287 0.037 0.000 0.946 272 K CB 1.474 33.993 32.500 0.031 0.000 1.220 272 K HN 0.641 nan 8.250 nan 0.000 0.450 273 V N 1.861 121.777 119.914 0.002 0.000 2.876 273 V HA 0.906 5.025 4.120 -0.000 0.000 0.312 273 V C -0.748 175.141 176.094 -0.340 0.000 1.085 273 V CA -1.031 61.220 62.300 -0.082 0.000 0.945 273 V CB 1.833 33.647 31.823 -0.014 0.000 1.017 273 V HN 0.764 nan 8.190 nan 0.000 0.428 274 A N 2.282 124.755 122.820 -0.578 0.000 2.566 274 A HA 1.057 5.377 4.320 -0.000 0.000 0.292 274 A C -0.796 176.341 177.584 -0.745 0.000 1.112 274 A CA -0.232 50.968 52.037 -1.395 0.000 0.707 274 A CB 2.063 20.485 19.000 -0.964 0.000 1.302 274 A HN 1.835 nan 8.150 nan 0.000 0.409 275 A N -0.026 122.412 122.820 -0.636 0.000 2.475 275 A HA 0.849 5.169 4.320 -0.000 0.000 0.301 275 A C -0.555 177.094 177.584 0.109 0.000 1.059 275 A CA -0.049 51.952 52.037 -0.061 0.000 0.710 275 A CB 1.358 20.425 19.000 0.111 0.000 1.288 275 A HN 2.287 nan 8.150 nan 0.000 0.408 276 V N -1.180 118.804 119.914 0.117 0.000 3.078 276 V HA 0.629 4.749 4.120 -0.000 0.000 0.311 276 V C -0.396 175.789 176.094 0.153 0.000 1.138 276 V CA -1.267 61.129 62.300 0.160 0.000 1.007 276 V CB 1.549 33.493 31.823 0.201 0.000 1.045 276 V HN 0.870 nan 8.190 nan 0.000 0.432 277 K N 1.363 121.855 120.400 0.153 0.000 2.258 277 K HA 0.635 4.955 4.320 -0.000 0.000 0.264 277 K C 0.283 176.941 176.600 0.098 0.000 1.007 277 K CA 0.203 56.559 56.287 0.115 0.000 0.941 277 K CB 1.331 33.891 32.500 0.100 0.000 0.966 277 K HN 1.092 nan 8.250 nan 0.000 0.480 278 A N 4.950 127.782 122.820 0.019 0.000 2.451 278 A HA 0.203 4.523 4.320 -0.000 0.000 0.266 278 A C -2.083 175.453 177.584 -0.081 0.000 1.119 278 A CA -1.327 50.657 52.037 -0.087 0.000 0.786 278 A CB -0.414 18.546 19.000 -0.067 0.000 1.061 278 A HN 0.402 nan 8.150 nan 0.000 0.503 279 P HA 0.195 nan 4.420 nan 0.000 0.264 279 P C 0.928 178.237 177.300 0.015 0.000 1.179 279 P CA 1.681 64.732 63.100 -0.082 0.000 0.763 279 P CB 0.297 31.825 31.700 -0.286 0.000 0.806 280 G N 2.225 111.094 108.800 0.114 0.000 2.692 280 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.248 280 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.248 280 G C -0.785 174.297 174.900 0.303 0.000 1.340 280 G CA 0.129 45.358 45.100 0.216 0.000 0.896 280 G HN 0.748 nan 8.290 nan 0.000 0.570 281 F N -1.946 118.014 119.950 0.017 0.000 2.645 281 F HA 0.827 5.354 4.527 0.000 0.000 0.310 281 F C 0.776 176.586 175.800 0.016 0.000 1.102 281 F CA 0.154 58.162 58.000 0.014 0.000 0.952 281 F CB 1.153 40.164 39.000 0.018 0.000 1.326 281 F HN 2.525 nan 8.300 nan 0.000 0.456 282 G N 1.980 110.685 108.800 -0.159 0.000 2.496 282 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.243 282 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.243 282 G C 0.010 174.820 174.900 -0.150 0.000 1.176 282 G CA 0.289 45.235 45.100 -0.257 0.000 0.940 282 G HN 0.806 nan 8.290 nan 0.000 0.573 283 D N 0.880 121.186 120.400 -0.157 0.000 2.289 283 D HA 0.024 4.664 4.640 -0.000 0.000 0.207 283 D C 2.423 178.676 176.300 -0.078 0.000 0.966 283 D CA 1.317 55.262 54.000 -0.092 0.000 0.868 283 D CB 0.022 40.777 40.800 -0.075 0.000 0.943 283 D HN 0.566 nan 8.370 nan 0.000 0.514 284 R N 0.464 120.905 120.500 -0.099 0.000 2.317 284 R HA 0.181 4.520 4.340 -0.000 0.000 0.208 284 R C 1.738 178.007 176.300 -0.053 0.000 0.914 284 R CA 0.124 56.185 56.100 -0.065 0.000 1.060 284 R CB -0.241 30.031 30.300 -0.047 0.000 1.015 284 R HN -0.050 nan 8.270 nan 0.000 0.498 285 R N 1.462 121.928 120.500 -0.057 0.000 2.075 285 R HA 0.030 4.370 4.340 -0.000 0.000 0.226 285 R C 1.086 177.358 176.300 -0.046 0.000 1.114 285 R CA 1.296 57.379 56.100 -0.028 0.000 0.972 285 R CB 0.069 30.372 30.300 0.006 0.000 0.869 285 R HN 0.228 nan 8.270 nan 0.000 0.437 286 K N 0.004 120.378 120.400 -0.044 0.000 2.116 286 K HA 0.042 4.362 4.320 -0.000 0.000 0.203 286 K C 2.034 178.607 176.600 -0.044 0.000 1.052 286 K CA 1.129 57.392 56.287 -0.040 0.000 0.952 286 K CB 0.009 32.489 32.500 -0.033 0.000 0.729 286 K HN 0.185 nan 8.250 nan 0.000 0.446 287 A N 1.082 123.876 122.820 -0.044 0.000 1.968 287 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 287 A C 2.031 179.586 177.584 -0.049 0.000 1.169 287 A CA 1.070 53.083 52.037 -0.040 0.000 0.638 287 A CB -0.329 18.650 19.000 -0.035 0.000 0.812 287 A HN 0.149 nan 8.150 nan 0.000 0.446 288 M N -0.810 118.753 119.600 -0.063 0.000 2.374 288 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 288 M C 1.862 178.091 176.300 -0.119 0.000 1.067 288 M CA 0.943 56.191 55.300 -0.086 0.000 1.103 288 M CB -0.446 32.095 32.600 -0.099 0.000 1.402 288 M HN 0.415 nan 8.290 nan 0.000 0.444 289 L N -0.388 120.771 121.223 -0.106 0.000 2.156 289 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 289 L C 2.446 179.278 176.870 -0.064 0.000 1.095 289 L CA 0.914 55.693 54.840 -0.101 0.000 0.770 289 L CB -0.296 41.715 42.059 -0.079 0.000 0.914 289 L HN 0.236 nan 8.230 nan 0.000 0.439 290 Q N -0.017 119.754 119.800 -0.048 0.000 2.369 290 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 290 Q C 1.335 177.319 176.000 -0.028 0.000 0.963 290 Q CA 1.185 56.969 55.803 -0.032 0.000 0.894 290 Q CB -0.021 28.702 28.738 -0.026 0.000 0.965 290 Q HN 0.414 nan 8.270 nan 0.000 0.475 291 D N -0.248 120.130 120.400 -0.036 0.000 2.083 291 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 291 D C 1.629 177.918 176.300 -0.019 0.000 0.980 291 D CA 1.539 55.523 54.000 -0.026 0.000 0.851 291 D CB -0.343 40.438 40.800 -0.031 0.000 0.997 291 D HN 0.278 nan 8.370 nan 0.000 0.449 292 I N 1.116 121.666 120.570 -0.032 0.000 2.462 292 I HA -0.328 3.842 4.170 -0.000 0.000 0.259 292 I C 2.186 178.302 176.117 -0.002 0.000 1.156 292 I CA 0.824 62.117 61.300 -0.012 0.000 1.417 292 I CB -0.459 37.514 38.000 -0.045 0.000 1.088 292 I HN -0.033 nan 8.210 nan 0.000 0.442 293 A N 1.703 124.517 122.820 -0.011 0.000 1.830 293 A HA -0.246 4.074 4.320 -0.000 0.000 0.214 293 A C 2.465 180.051 177.584 0.005 0.000 1.218 293 A CA 2.838 54.874 52.037 -0.002 0.000 0.628 293 A CB -1.415 17.581 19.000 -0.007 0.000 0.860 293 A HN 0.474 nan 8.150 nan 0.000 0.454 294 T N -1.354 113.201 114.554 0.001 0.000 3.007 294 T HA -0.042 4.308 4.350 -0.000 0.000 0.270 294 T C 1.740 176.443 174.700 0.005 0.000 1.107 294 T CA 1.083 63.185 62.100 0.003 0.000 1.118 294 T CB -0.367 68.501 68.868 0.001 0.000 0.889 294 T HN 0.285 nan 8.240 nan 0.000 0.506 295 L N 2.231 123.458 121.223 0.007 0.000 2.042 295 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 295 L C 2.536 179.414 176.870 0.012 0.000 1.076 295 L CA 2.612 57.459 54.840 0.011 0.000 0.749 295 L CB -1.131 40.940 42.059 0.019 0.000 0.893 295 L HN 0.622 nan 8.230 nan 0.000 0.432 296 T N -3.536 111.027 114.554 0.015 0.000 3.021 296 T HA 0.291 4.641 4.350 -0.000 0.000 0.245 296 T C 0.975 175.683 174.700 0.013 0.000 1.028 296 T CA 0.478 62.587 62.100 0.013 0.000 1.139 296 T CB 0.151 69.032 68.868 0.022 0.000 0.884 296 T HN 0.583 nan 8.240 nan 0.000 0.457 297 G N -0.114 108.696 108.800 0.017 0.000 3.380 297 G HA2 0.469 4.429 3.960 -0.000 0.000 0.685 297 G HA3 0.469 4.429 3.960 -0.000 0.000 0.685 297 G C -0.032 174.887 174.900 0.030 0.000 1.136 297 G CA -0.588 44.524 45.100 0.019 0.000 1.011 297 G HN 1.681 nan 8.290 nan 0.000 0.471 298 G N 0.223 109.039 108.800 0.026 0.000 2.368 298 G HA2 0.637 4.597 3.960 -0.000 0.000 0.301 298 G HA3 0.637 4.597 3.960 -0.000 0.000 0.301 298 G C -0.439 174.473 174.900 0.019 0.000 1.640 298 G CA 0.200 45.319 45.100 0.031 0.000 0.941 298 G HN 1.347 nan 8.290 nan 0.000 0.695 299 T N 1.282 115.846 114.554 0.016 0.000 2.851 299 T HA 0.456 4.806 4.350 -0.000 0.000 0.298 299 T C 0.905 175.609 174.700 0.007 0.000 0.977 299 T CA -0.326 61.779 62.100 0.009 0.000 1.126 299 T CB 1.500 70.372 68.868 0.006 0.000 0.916 299 T HN 0.671 nan 8.240 nan 0.000 0.529 300 V N 4.754 124.669 119.914 0.001 0.000 2.614 300 V HA 0.231 4.351 4.120 -0.000 0.000 0.291 300 V C 0.440 176.533 176.094 -0.002 0.000 1.049 300 V CA -0.391 61.907 62.300 -0.003 0.000 1.038 300 V CB 0.435 32.252 31.823 -0.011 0.000 0.980 300 V HN 0.737 nan 8.190 nan 0.000 0.481 301 I N 4.945 125.514 120.570 -0.001 0.000 2.312 301 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 301 I C 0.385 176.501 176.117 -0.001 0.000 1.008 301 I CA 0.328 61.628 61.300 -0.000 0.000 1.226 301 I CB 1.345 39.346 38.000 0.002 0.000 1.371 301 I HN 0.808 nan 8.210 nan 0.000 0.468 302 S N 3.334 119.033 115.700 -0.002 0.000 2.709 302 S HA 0.520 4.990 4.470 -0.000 0.000 0.302 302 S C 0.212 174.811 174.600 -0.001 0.000 1.127 302 S CA -0.773 57.425 58.200 -0.002 0.000 0.905 302 S CB 2.090 65.287 63.200 -0.005 0.000 1.151 302 S HN 0.610 nan 8.310 nan 0.000 0.510 303 E N 0.036 120.236 120.200 -0.000 0.000 2.431 303 E HA 0.062 4.412 4.350 -0.000 0.000 0.200 303 E C 1.201 177.800 176.600 -0.001 0.000 0.995 303 E CA 0.134 56.535 56.400 0.001 0.000 0.915 303 E CB 0.060 29.761 29.700 0.003 0.000 0.930 303 E HN 0.749 nan 8.360 nan 0.000 0.496 304 E N 0.794 120.993 120.200 -0.002 0.000 2.160 304 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 304 E C 1.631 178.229 176.600 -0.003 0.000 0.991 304 E CA 1.011 57.409 56.400 -0.003 0.000 0.810 304 E CB 0.022 29.719 29.700 -0.006 0.000 0.742 304 E HN 0.310 nan 8.360 nan 0.000 0.466 305 I N -0.872 119.696 120.570 -0.003 0.000 3.854 305 I HA 0.165 4.335 4.170 -0.000 0.000 0.312 305 I C 0.784 176.899 176.117 -0.002 0.000 1.273 305 I CA 0.140 61.439 61.300 -0.003 0.000 1.298 305 I CB 0.552 38.550 38.000 -0.004 0.000 1.071 305 I HN 0.077 nan 8.210 nan 0.000 0.428 306 G N 2.538 111.338 108.800 -0.001 0.000 2.734 306 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.277 306 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.277 306 G C -0.493 174.406 174.900 -0.001 0.000 1.099 306 G CA -0.316 44.784 45.100 -0.001 0.000 1.218 306 G HN 0.172 nan 8.290 nan 0.000 0.554 307 M N 0.183 119.783 119.600 -0.000 0.000 2.690 307 M HA 0.678 5.158 4.480 -0.000 0.000 0.302 307 M C 0.018 176.318 176.300 0.001 0.000 1.234 307 M CA -0.796 54.504 55.300 -0.000 0.000 0.853 307 M CB 2.260 34.860 32.600 -0.001 0.000 1.748 307 M HN 0.273 nan 8.290 nan 0.000 0.469 308 E N 0.730 120.930 120.200 0.000 0.000 2.336 308 E HA 0.390 4.740 4.350 -0.000 0.000 0.267 308 E C -0.205 176.395 176.600 0.000 0.000 0.906 308 E CA -0.516 55.884 56.400 0.001 0.000 0.781 308 E CB 2.285 31.986 29.700 0.002 0.000 1.261 308 E HN 0.628 nan 8.360 nan 0.000 0.436 309 L N 0.937 122.161 121.223 0.002 0.000 2.552 309 L HA -0.058 4.282 4.340 -0.000 0.000 0.227 309 L C 1.507 178.376 176.870 -0.003 0.000 1.146 309 L CA 0.830 55.671 54.840 0.001 0.000 0.858 309 L CB -0.276 41.786 42.059 0.005 0.000 0.969 309 L HN 0.482 nan 8.230 nan 0.000 0.451 310 E N -0.106 120.093 120.200 -0.002 0.000 2.358 310 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 310 E C 1.745 178.341 176.600 -0.007 0.000 1.010 310 E CA 0.513 56.911 56.400 -0.004 0.000 0.856 310 E CB 0.168 29.867 29.700 -0.002 0.000 0.795 310 E HN 0.210 nan 8.360 nan 0.000 0.504 311 K N 0.097 120.493 120.400 -0.007 0.000 2.354 311 K HA 0.259 4.579 4.320 -0.000 0.000 0.194 311 K C 0.225 176.818 176.600 -0.011 0.000 1.038 311 K CA 0.042 56.325 56.287 -0.008 0.000 1.052 311 K CB 0.877 33.373 32.500 -0.005 0.000 0.861 311 K HN 0.005 nan 8.250 nan 0.000 0.535 312 A N 2.613 125.426 122.820 -0.012 0.000 2.444 312 A HA 0.173 4.493 4.320 -0.000 0.000 0.273 312 A C 0.780 178.349 177.584 -0.025 0.000 1.136 312 A CA -0.095 51.934 52.037 -0.014 0.000 0.799 312 A CB -0.189 18.804 19.000 -0.011 0.000 1.081 312 A HN 0.293 nan 8.150 nan 0.000 0.509 313 T N 0.709 115.248 114.554 -0.025 0.000 2.793 313 T HA 0.371 4.721 4.350 -0.000 0.000 0.299 313 T C 1.314 175.983 174.700 -0.051 0.000 1.038 313 T CA -0.338 61.741 62.100 -0.036 0.000 0.948 313 T CB 0.199 69.051 68.868 -0.026 0.000 1.231 313 T HN 0.368 nan 8.240 nan 0.000 0.538 314 L N 0.019 121.201 121.223 -0.068 0.000 2.093 314 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 314 L C 3.199 180.053 176.870 -0.027 0.000 1.085 314 L CA 1.342 56.123 54.840 -0.099 0.000 0.755 314 L CB -0.419 41.565 42.059 -0.124 0.000 0.904 314 L HN 0.751 nan 8.230 nan 0.000 0.435 315 E N 0.254 120.452 120.200 -0.003 0.000 2.077 315 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 315 E C 1.622 178.238 176.600 0.027 0.000 0.989 315 E CA 1.311 57.725 56.400 0.023 0.000 0.800 315 E CB -0.041 29.669 29.700 0.016 0.000 0.746 315 E HN 0.440 nan 8.360 nan 0.000 0.452 316 D N 0.167 120.574 120.400 0.012 0.000 2.221 316 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 316 D C 0.627 176.943 176.300 0.026 0.000 0.982 316 D CA 0.358 54.366 54.000 0.014 0.000 0.857 316 D CB -0.107 40.695 40.800 0.003 0.000 0.934 316 D HN 0.075 nan 8.370 nan 0.000 0.475 317 L N -0.176 121.069 121.223 0.036 0.000 2.472 317 L HA 0.338 4.678 4.340 -0.000 0.000 0.260 317 L C 1.353 178.288 176.870 0.108 0.000 1.209 317 L CA 0.187 55.069 54.840 0.070 0.000 0.817 317 L CB 0.647 42.753 42.059 0.077 0.000 1.106 317 L HN -0.087 nan 8.230 nan 0.000 0.479 318 G N 0.223 109.093 108.800 0.118 0.000 2.412 318 G HA2 0.579 4.539 3.960 -0.000 0.000 0.318 318 G HA3 0.579 4.539 3.960 -0.000 0.000 0.318 318 G C -1.158 173.804 174.900 0.104 0.000 1.146 318 G CA -0.367 44.789 45.100 0.094 0.000 0.882 318 G HN 0.527 nan 8.290 nan 0.000 0.501 319 Q N -0.301 119.523 119.800 0.040 0.000 2.275 319 Q HA 0.589 4.929 4.340 -0.000 0.000 0.266 319 Q C -0.498 175.467 176.000 -0.059 0.000 1.002 319 Q CA -0.589 55.193 55.803 -0.034 0.000 0.761 319 Q CB 2.259 30.986 28.738 -0.018 0.000 1.255 319 Q HN 0.760 nan 8.270 nan 0.000 0.446 320 A N 1.704 124.463 122.820 -0.101 0.000 2.483 320 A HA 0.556 4.876 4.320 -0.000 0.000 0.286 320 A C -0.244 177.277 177.584 -0.104 0.000 1.207 320 A CA -0.544 51.449 52.037 -0.074 0.000 0.764 320 A CB 1.658 20.635 19.000 -0.038 0.000 1.341 320 A HN 0.667 nan 8.150 nan 0.000 0.428 321 K N -0.994 119.363 120.400 -0.072 0.000 2.214 321 K HA 0.264 4.584 4.320 -0.000 0.000 0.201 321 K C 0.269 176.831 176.600 -0.063 0.000 1.049 321 K CA 0.611 56.855 56.287 -0.071 0.000 0.978 321 K CB 0.278 32.749 32.500 -0.049 0.000 0.842 321 K HN 0.591 nan 8.250 nan 0.000 0.474 322 R N -0.042 120.429 120.500 -0.048 0.000 2.663 322 R HA 0.282 4.622 4.340 -0.000 0.000 0.267 322 R C -1.799 174.483 176.300 -0.030 0.000 1.038 322 R CA -0.765 55.312 56.100 -0.039 0.000 0.886 322 R CB 2.476 32.758 30.300 -0.030 0.000 1.249 322 R HN -0.015 nan 8.270 nan 0.000 0.463 323 V N -1.005 118.893 119.914 -0.027 0.000 2.760 323 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 323 V C -0.819 175.261 176.094 -0.023 0.000 1.077 323 V CA -0.849 61.436 62.300 -0.025 0.000 0.910 323 V CB 2.000 33.812 31.823 -0.019 0.000 1.008 323 V HN 0.400 nan 8.190 nan 0.000 0.424 324 V N 5.407 125.303 119.914 -0.030 0.000 2.495 324 V HA 0.594 4.714 4.120 -0.000 0.000 0.298 324 V C -0.413 175.663 176.094 -0.030 0.000 1.031 324 V CA -0.318 61.972 62.300 -0.018 0.000 0.871 324 V CB 1.730 33.546 31.823 -0.011 0.000 0.988 324 V HN 0.838 nan 8.190 nan 0.000 0.432 325 I N 4.908 125.488 120.570 0.016 0.000 2.411 325 I HA 0.404 4.574 4.170 -0.000 0.000 0.284 325 I C 0.231 176.428 176.117 0.134 0.000 1.012 325 I CA -0.153 61.171 61.300 0.041 0.000 1.119 325 I CB 1.422 39.474 38.000 0.087 0.000 1.261 325 I HN 0.533 nan 8.210 nan 0.000 0.448 326 N N 4.443 123.171 118.700 0.047 0.000 2.452 326 N HA 0.238 4.978 4.740 -0.000 0.000 0.296 326 N C 1.116 176.553 175.510 -0.121 0.000 1.304 326 N CA -0.159 52.930 53.050 0.065 0.000 0.956 326 N CB 0.740 39.233 38.487 0.009 0.000 1.106 326 N HN 0.469 nan 8.380 nan 0.000 0.555 327 K N -1.024 119.253 120.400 -0.204 0.000 2.097 327 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 327 K C -0.598 175.722 176.600 -0.466 0.000 1.050 327 K CA 1.726 57.679 56.287 -0.557 0.000 0.938 327 K CB 0.000 32.366 32.500 -0.224 0.000 0.718 327 K HN 0.647 nan 8.250 nan 0.000 0.442 328 D N -0.808 119.448 120.400 -0.240 0.000 3.078 328 D HA 0.083 4.723 4.640 -0.000 0.000 0.363 328 D C -1.228 174.996 176.300 -0.127 0.000 1.391 328 D CA -0.401 53.499 54.000 -0.166 0.000 0.754 328 D CB 0.703 41.438 40.800 -0.109 0.000 1.238 328 D HN -0.124 nan 8.370 nan 0.000 0.500 329 T N -0.325 114.136 114.554 -0.156 0.000 3.233 329 T HA 0.271 4.621 4.350 -0.000 0.000 0.324 329 T C -0.198 174.361 174.700 -0.235 0.000 0.992 329 T CA -0.526 61.473 62.100 -0.169 0.000 1.414 329 T CB 0.757 69.566 68.868 -0.100 0.000 0.935 329 T HN -0.018 nan 8.240 nan 0.000 0.544 330 T N 2.724 117.022 114.554 -0.426 0.000 2.930 330 T HA 0.453 4.803 4.350 -0.000 0.000 0.306 330 T C 0.571 174.982 174.700 -0.481 0.000 1.045 330 T CA -0.126 61.661 62.100 -0.523 0.000 1.134 330 T CB 0.909 69.180 68.868 -0.994 0.000 0.961 330 T HN 0.589 nan 8.240 nan 0.000 0.545 331 T N 3.198 117.592 114.554 -0.267 0.000 3.066 331 T HA 0.489 4.839 4.350 -0.000 0.000 0.318 331 T C -0.370 174.281 174.700 -0.083 0.000 0.979 331 T CA -0.787 61.215 62.100 -0.164 0.000 1.025 331 T CB -0.158 68.646 68.868 -0.106 0.000 1.002 331 T HN 0.467 nan 8.240 nan 0.000 0.453 332 I N 5.150 125.699 120.570 -0.035 0.000 2.575 332 I HA 0.454 4.624 4.170 -0.000 0.000 0.285 332 I C -0.051 176.065 176.117 -0.001 0.000 1.085 332 I CA -0.629 60.676 61.300 0.008 0.000 1.403 332 I CB 1.060 39.099 38.000 0.064 0.000 1.409 332 I HN 0.568 nan 8.210 nan 0.000 0.557 333 I N 4.840 125.405 120.570 -0.008 0.000 2.468 333 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 333 I C -0.873 175.235 176.117 -0.015 0.000 1.039 333 I CA -0.507 60.786 61.300 -0.013 0.000 1.074 333 I CB 1.604 39.593 38.000 -0.018 0.000 1.228 333 I HN 0.575 nan 8.210 nan 0.000 0.436 334 D N 4.911 125.304 120.400 -0.011 0.000 3.908 334 D HA -0.117 4.522 4.640 -0.000 0.000 0.237 334 D C -0.062 176.227 176.300 -0.018 0.000 1.091 334 D CA 1.038 55.029 54.000 -0.014 0.000 1.147 334 D CB -0.043 40.746 40.800 -0.020 0.000 0.857 334 D HN 0.806 nan 8.370 nan 0.000 0.410 335 G N 1.093 109.887 108.800 -0.009 0.000 2.425 335 G HA2 0.494 4.454 3.960 -0.000 0.000 0.302 335 G HA3 0.494 4.454 3.960 -0.000 0.000 0.302 335 G C 1.376 176.269 174.900 -0.012 0.000 1.159 335 G CA -0.212 44.882 45.100 -0.010 0.000 0.865 335 G HN 0.286 nan 8.290 nan 0.000 0.515 336 V N 2.146 122.051 119.914 -0.015 0.000 2.283 336 V HA 0.059 4.179 4.120 -0.000 0.000 0.243 336 V C 2.277 178.369 176.094 -0.004 0.000 1.039 336 V CA 1.093 63.386 62.300 -0.013 0.000 1.016 336 V CB -1.465 30.349 31.823 -0.015 0.000 0.650 336 V HN 0.916 nan 8.190 nan 0.000 0.449 337 G N 2.739 111.539 108.800 0.001 0.000 2.721 337 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.291 337 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.291 337 G C 0.132 175.033 174.900 0.002 0.000 0.451 337 G CA 0.236 45.339 45.100 0.004 0.000 1.150 337 G HN 0.470 nan 8.290 nan 0.000 0.217 338 E N 2.166 122.367 120.200 0.002 0.000 2.534 338 E HA -0.080 4.270 4.350 -0.000 0.000 0.264 338 E C 1.464 178.064 176.600 0.000 0.000 0.981 338 E CA 0.357 56.758 56.400 0.001 0.000 0.948 338 E CB 0.698 30.399 29.700 0.001 0.000 0.934 338 E HN 0.744 nan 8.360 nan 0.000 0.459 339 E N 1.765 121.964 120.200 -0.001 0.000 2.130 339 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 339 E C 1.563 178.163 176.600 -0.001 0.000 0.998 339 E CA 1.334 57.733 56.400 -0.001 0.000 0.806 339 E CB -0.049 29.650 29.700 -0.001 0.000 0.738 339 E HN 0.567 nan 8.360 nan 0.000 0.459 340 A N 0.449 123.269 122.820 -0.001 0.000 2.248 340 A HA 0.087 4.407 4.320 -0.000 0.000 0.210 340 A C 1.901 179.485 177.584 -0.001 0.000 1.174 340 A CA 1.245 53.282 52.037 -0.001 0.000 0.750 340 A CB -0.180 18.820 19.000 -0.000 0.000 0.780 340 A HN 0.270 nan 8.150 nan 0.000 0.478 341 A N -1.171 121.649 122.820 -0.000 0.000 2.312 341 A HA 0.411 4.731 4.320 -0.000 0.000 0.215 341 A C 1.699 179.283 177.584 -0.001 0.000 1.256 341 A CA 0.269 52.305 52.037 -0.000 0.000 0.966 341 A CB 0.023 19.024 19.000 0.001 0.000 1.053 341 A HN 0.351 nan 8.150 nan 0.000 0.510 342 I N -0.716 119.854 120.570 -0.001 0.000 2.206 342 I HA -0.182 3.988 4.170 -0.000 0.000 0.239 342 I C 2.524 178.640 176.117 -0.002 0.000 1.078 342 I CA 1.404 62.703 61.300 -0.001 0.000 1.367 342 I CB -0.273 37.727 38.000 0.000 0.000 1.078 342 I HN 0.312 nan 8.210 nan 0.000 0.413 343 Q N 1.075 120.874 119.800 -0.002 0.000 2.308 343 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 343 Q C 1.911 177.910 176.000 -0.003 0.000 0.985 343 Q CA 1.847 57.649 55.803 -0.002 0.000 0.881 343 Q CB -0.279 28.458 28.738 -0.002 0.000 0.917 343 Q HN 0.571 nan 8.270 nan 0.000 0.443 344 G N -0.851 107.947 108.800 -0.003 0.000 2.492 344 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 344 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 344 G C 1.417 176.315 174.900 -0.005 0.000 1.147 344 G CA 0.351 45.449 45.100 -0.003 0.000 0.809 344 G HN 0.236 nan 8.290 nan 0.000 0.533 345 R N 0.477 120.975 120.500 -0.005 0.000 2.115 345 R HA 0.060 4.400 4.340 -0.000 0.000 0.230 345 R C 2.381 178.676 176.300 -0.007 0.000 1.111 345 R CA 1.131 57.227 56.100 -0.006 0.000 0.976 345 R CB -0.724 29.573 30.300 -0.006 0.000 0.870 345 R HN 0.161 nan 8.270 nan 0.000 0.445 346 V N 0.797 120.707 119.914 -0.006 0.000 2.233 346 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 346 V C 2.220 178.310 176.094 -0.007 0.000 1.050 346 V CA 2.179 64.475 62.300 -0.007 0.000 1.010 346 V CB -0.934 30.886 31.823 -0.005 0.000 0.637 346 V HN 0.571 nan 8.190 nan 0.000 0.444 347 A N -1.710 121.106 122.820 -0.006 0.000 2.216 347 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 347 A C 2.124 179.704 177.584 -0.007 0.000 1.160 347 A CA 1.386 53.420 52.037 -0.006 0.000 0.725 347 A CB -0.367 18.630 19.000 -0.005 0.000 0.784 347 A HN 0.659 nan 8.150 nan 0.000 0.472 348 Q N -0.521 119.275 119.800 -0.008 0.000 2.008 348 Q HA -0.035 4.305 4.340 -0.000 0.000 0.196 348 Q C 1.906 177.900 176.000 -0.010 0.000 0.973 348 Q CA 1.478 57.276 55.803 -0.009 0.000 0.826 348 Q CB -0.183 28.549 28.738 -0.009 0.000 0.894 348 Q HN 0.759 nan 8.270 nan 0.000 0.439 349 I N 0.009 120.572 120.570 -0.012 0.000 2.394 349 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 349 I C 2.411 178.519 176.117 -0.015 0.000 1.136 349 I CA 0.768 62.059 61.300 -0.015 0.000 1.425 349 I CB -0.212 37.778 38.000 -0.017 0.000 1.079 349 I HN 0.084 nan 8.210 nan 0.000 0.425 350 R N 0.572 121.065 120.500 -0.012 0.000 2.148 350 R HA -0.149 4.191 4.340 -0.000 0.000 0.227 350 R C 2.348 178.642 176.300 -0.010 0.000 1.103 350 R CA 1.039 57.132 56.100 -0.011 0.000 0.983 350 R CB -0.050 30.245 30.300 -0.009 0.000 0.874 350 R HN 0.366 nan 8.270 nan 0.000 0.451 351 Q N -0.173 119.622 119.800 -0.009 0.000 2.269 351 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 351 Q C 1.493 177.487 176.000 -0.008 0.000 0.946 351 Q CA 1.013 56.811 55.803 -0.008 0.000 0.877 351 Q CB 0.407 29.141 28.738 -0.007 0.000 0.963 351 Q HN 0.496 nan 8.270 nan 0.000 0.472 352 Q N -0.223 119.571 119.800 -0.011 0.000 2.311 352 Q HA -0.019 4.321 4.340 -0.000 0.000 0.203 352 Q C 1.929 177.921 176.000 -0.013 0.000 0.954 352 Q CA 0.566 56.363 55.803 -0.011 0.000 0.885 352 Q CB 0.220 28.950 28.738 -0.014 0.000 0.963 352 Q HN 0.380 nan 8.270 nan 0.000 0.471 353 I N 0.496 121.057 120.570 -0.015 0.000 2.286 353 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 353 I C 2.216 178.327 176.117 -0.011 0.000 1.104 353 I CA 0.878 62.168 61.300 -0.016 0.000 1.397 353 I CB -0.097 37.892 38.000 -0.019 0.000 1.072 353 I HN 0.121 nan 8.210 nan 0.000 0.417 354 E N 1.011 121.206 120.200 -0.008 0.000 2.204 354 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 354 E C 0.587 177.185 176.600 -0.004 0.000 0.989 354 E CA 0.833 57.230 56.400 -0.006 0.000 0.824 354 E CB 0.031 29.728 29.700 -0.005 0.000 0.756 354 E HN 0.530 nan 8.360 nan 0.000 0.477 355 E N 0.033 120.230 120.200 -0.004 0.000 2.674 355 E HA 0.407 4.757 4.350 -0.000 0.000 0.240 355 E C -0.974 175.625 176.600 -0.000 0.000 1.213 355 E CA -0.292 56.107 56.400 -0.002 0.000 1.357 355 E CB 0.846 30.545 29.700 -0.003 0.000 1.467 355 E HN 0.009 nan 8.360 nan 0.000 0.448 356 A N 0.586 123.407 122.820 0.002 0.000 2.512 356 A HA 0.185 4.505 4.320 -0.000 0.000 0.290 356 A C 0.478 178.069 177.584 0.012 0.000 1.041 356 A CA -0.774 51.268 52.037 0.008 0.000 0.911 356 A CB 0.509 19.514 19.000 0.008 0.000 1.407 356 A HN 0.246 nan 8.150 nan 0.000 0.398 357 T N -0.791 113.771 114.554 0.014 0.000 3.194 357 T HA 0.194 4.544 4.350 -0.000 0.000 0.251 357 T C 0.907 175.622 174.700 0.025 0.000 1.132 357 T CA 0.804 62.913 62.100 0.016 0.000 1.028 357 T CB -0.208 68.667 68.868 0.012 0.000 0.976 357 T HN 0.820 nan 8.240 nan 0.000 0.535 358 S N 0.946 116.668 115.700 0.037 0.000 2.545 358 S HA 0.194 4.664 4.470 -0.000 0.000 0.275 358 S C 0.830 175.470 174.600 0.066 0.000 1.299 358 S CA -0.579 57.658 58.200 0.063 0.000 1.048 358 S CB 1.009 64.267 63.200 0.097 0.000 0.938 358 S HN 0.313 nan 8.310 nan 0.000 0.496 359 D N 2.355 122.803 120.400 0.079 0.000 2.249 359 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 359 D C 1.402 177.761 176.300 0.098 0.000 0.962 359 D CA 1.046 55.088 54.000 0.070 0.000 0.860 359 D CB -0.093 40.744 40.800 0.061 0.000 0.955 359 D HN 0.774 nan 8.370 nan 0.000 0.505 360 Y N 0.501 120.802 120.300 0.002 0.000 2.286 360 Y HA -0.023 4.527 4.550 -0.000 0.000 0.293 360 Y C 1.576 177.476 175.900 0.001 0.000 1.124 360 Y CA 1.269 59.371 58.100 0.004 0.000 1.178 360 Y CB -0.012 38.451 38.460 0.005 0.000 1.010 360 Y HN -0.165 nan 8.280 nan 0.000 0.536 361 D N 0.451 120.852 120.400 0.002 0.000 2.178 361 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 361 D C 2.044 178.264 176.300 -0.133 0.000 0.980 361 D CA 0.965 54.899 54.000 -0.109 0.000 0.842 361 D CB -0.258 40.564 40.800 0.036 0.000 0.948 361 D HN 0.380 nan 8.370 nan 0.000 0.472 362 R N 0.769 121.223 120.500 -0.076 0.000 2.148 362 R HA -0.069 4.271 4.340 -0.000 0.000 0.227 362 R C 1.389 177.635 176.300 -0.090 0.000 1.103 362 R CA 0.839 56.902 56.100 -0.063 0.000 0.983 362 R CB 0.178 30.461 30.300 -0.027 0.000 0.874 362 R HN 0.227 nan 8.270 nan 0.000 0.451 363 E N -0.796 119.323 120.200 -0.134 0.000 2.474 363 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 363 E C 1.291 177.773 176.600 -0.197 0.000 1.041 363 E CA 0.251 56.570 56.400 -0.134 0.000 0.874 363 E CB 0.533 30.173 29.700 -0.099 0.000 0.914 363 E HN 0.039 nan 8.360 nan 0.000 0.498 364 K N -0.091 120.133 120.400 -0.292 0.000 2.424 364 K HA 0.187 4.507 4.320 -0.000 0.000 0.198 364 K C 1.829 178.329 176.600 -0.167 0.000 1.190 364 K CA 0.114 56.229 56.287 -0.287 0.000 0.935 364 K CB 0.514 32.693 32.500 -0.536 0.000 1.087 364 K HN 0.106 nan 8.250 nan 0.000 0.524 365 L N 0.957 122.094 121.223 -0.143 0.000 2.240 365 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 365 L C 2.292 179.126 176.870 -0.061 0.000 1.106 365 L CA 0.925 55.715 54.840 -0.083 0.000 0.793 365 L CB -0.173 41.846 42.059 -0.065 0.000 0.927 365 L HN 0.149 nan 8.230 nan 0.000 0.446 366 Q N -0.189 119.572 119.800 -0.065 0.000 2.230 366 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 366 Q C 2.000 177.977 176.000 -0.038 0.000 0.963 366 Q CA 0.963 56.739 55.803 -0.045 0.000 0.866 366 Q CB 0.173 28.885 28.738 -0.043 0.000 0.931 366 Q HN 0.486 nan 8.270 nan 0.000 0.452 367 E N 0.247 120.418 120.200 -0.048 0.000 2.046 367 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 367 E C 1.945 178.533 176.600 -0.020 0.000 0.982 367 E CA 0.490 56.871 56.400 -0.031 0.000 0.800 367 E CB 0.048 29.726 29.700 -0.036 0.000 0.756 367 E HN 0.148 nan 8.360 nan 0.000 0.449 368 R N 0.991 121.474 120.500 -0.028 0.000 2.189 368 R HA -0.110 4.230 4.340 -0.000 0.000 0.223 368 R C 2.228 178.520 176.300 -0.013 0.000 1.092 368 R CA 1.064 57.152 56.100 -0.019 0.000 0.989 368 R CB 0.064 30.346 30.300 -0.029 0.000 0.876 368 R HN 0.140 nan 8.270 nan 0.000 0.457 369 V N -2.931 116.974 119.914 -0.016 0.000 2.426 369 V HA 0.120 4.240 4.120 -0.000 0.000 0.242 369 V C 2.349 178.440 176.094 -0.006 0.000 1.036 369 V CA 1.186 63.479 62.300 -0.011 0.000 1.044 369 V CB -1.129 30.685 31.823 -0.014 0.000 0.688 369 V HN 0.174 nan 8.190 nan 0.000 0.462 370 A N 0.714 123.530 122.820 -0.008 0.000 1.986 370 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 370 A C 2.271 179.856 177.584 0.002 0.000 1.171 370 A CA 2.359 54.393 52.037 -0.004 0.000 0.640 370 A CB -0.628 18.368 19.000 -0.007 0.000 0.811 370 A HN 0.631 nan 8.150 nan 0.000 0.451 371 K N -1.484 118.920 120.400 0.008 0.000 2.155 371 K HA 0.058 4.378 4.320 -0.000 0.000 0.203 371 K C 1.626 178.239 176.600 0.022 0.000 1.052 371 K CA 1.122 57.422 56.287 0.020 0.000 0.948 371 K CB -0.088 32.432 32.500 0.034 0.000 0.728 371 K HN 0.412 nan 8.250 nan 0.000 0.448 372 L N -0.629 120.602 121.223 0.013 0.000 2.515 372 L HA 0.242 4.582 4.340 -0.000 0.000 0.223 372 L C 1.623 178.497 176.870 0.006 0.000 1.079 372 L CA 0.415 55.262 54.840 0.012 0.000 0.857 372 L CB 0.145 42.208 42.059 0.007 0.000 1.050 372 L HN 0.032 nan 8.230 nan 0.000 0.476 373 A N -0.214 122.608 122.820 0.003 0.000 1.833 373 A HA 0.267 4.587 4.320 -0.000 0.000 0.215 373 A C 1.398 178.983 177.584 0.000 0.000 1.275 373 A CA 0.673 52.710 52.037 -0.000 0.000 0.602 373 A CB -1.544 17.454 19.000 -0.003 0.000 0.929 373 A HN 0.344 nan 8.150 nan 0.000 0.462 374 G N -0.166 108.634 108.800 -0.000 0.000 2.354 374 G HA2 0.439 4.399 3.960 -0.000 0.000 0.266 374 G HA3 0.439 4.399 3.960 -0.000 0.000 0.266 374 G C 0.643 175.543 174.900 0.001 0.000 1.242 374 G CA 0.191 45.290 45.100 -0.001 0.000 0.923 374 G HN 0.680 nan 8.290 nan 0.000 0.476 375 G N 0.432 109.232 108.800 0.000 0.000 2.711 375 G HA2 0.375 4.334 3.960 -0.000 0.000 0.186 375 G HA3 0.375 4.334 3.960 -0.000 0.000 0.186 375 G C -0.347 174.553 174.900 -0.001 0.000 1.635 375 G CA 0.058 45.158 45.100 0.001 0.000 1.065 375 G HN 0.780 nan 8.290 nan 0.000 0.545 376 V N 0.151 120.063 119.914 -0.004 0.000 2.604 376 V HA 0.646 4.766 4.120 -0.000 0.000 0.305 376 V C 0.477 176.565 176.094 -0.010 0.000 1.043 376 V CA -0.750 61.545 62.300 -0.008 0.000 0.888 376 V CB 1.275 33.092 31.823 -0.009 0.000 0.995 376 V HN 0.951 nan 8.190 nan 0.000 0.429 377 A N 3.925 126.737 122.820 -0.013 0.000 2.440 377 A HA 0.646 4.966 4.320 -0.000 0.000 0.251 377 A C -0.408 177.169 177.584 -0.013 0.000 1.089 377 A CA -0.157 51.873 52.037 -0.012 0.000 0.779 377 A CB 0.557 19.548 19.000 -0.014 0.000 1.022 377 A HN 0.750 nan 8.150 nan 0.000 0.492 378 V N 4.346 124.253 119.914 -0.011 0.000 2.407 378 V HA 0.308 4.428 4.120 -0.000 0.000 0.291 378 V C -0.424 175.665 176.094 -0.009 0.000 1.018 378 V CA -0.103 62.191 62.300 -0.010 0.000 0.842 378 V CB 1.300 33.117 31.823 -0.011 0.000 0.996 378 V HN 0.719 nan 8.190 nan 0.000 0.426 379 I N 5.399 125.964 120.570 -0.008 0.000 2.330 379 I HA 0.395 4.565 4.170 -0.000 0.000 0.286 379 I C 0.185 176.299 176.117 -0.005 0.000 1.025 379 I CA -0.455 60.842 61.300 -0.006 0.000 1.197 379 I CB 0.963 38.960 38.000 -0.005 0.000 1.358 379 I HN 0.439 nan 8.210 nan 0.000 0.467 380 K N 5.907 126.304 120.400 -0.005 0.000 2.250 380 K HA 0.355 4.675 4.320 -0.000 0.000 0.280 380 K C -0.572 176.026 176.600 -0.004 0.000 1.098 380 K CA -0.517 55.767 56.287 -0.005 0.000 0.916 380 K CB 1.403 33.899 32.500 -0.006 0.000 1.209 380 K HN 0.343 nan 8.250 nan 0.000 0.461 381 V N 2.807 122.719 119.914 -0.003 0.000 2.446 381 V HA 0.099 4.219 4.120 -0.000 0.000 0.276 381 V C 0.868 176.960 176.094 -0.003 0.000 1.030 381 V CA -0.296 62.003 62.300 -0.002 0.000 1.033 381 V CB 0.768 32.591 31.823 -0.001 0.000 0.993 381 V HN 0.830 nan 8.190 nan 0.000 0.477 382 G N 3.761 112.560 108.800 -0.003 0.000 2.335 382 G HA2 0.734 4.694 3.960 -0.000 0.000 0.316 382 G HA3 0.734 4.694 3.960 -0.000 0.000 0.316 382 G C -0.361 174.537 174.900 -0.002 0.000 1.129 382 G CA 0.202 45.300 45.100 -0.003 0.000 0.899 382 G HN 1.122 nan 8.290 nan 0.000 0.448 383 A N 1.203 124.022 122.820 -0.002 0.000 2.583 383 A HA 0.857 5.177 4.320 -0.000 0.000 0.289 383 A C 1.128 178.711 177.584 -0.002 0.000 1.151 383 A CA 0.265 52.301 52.037 -0.002 0.000 0.695 383 A CB 0.667 19.665 19.000 -0.002 0.000 1.290 383 A HN 1.707 nan 8.150 nan 0.000 0.419 384 A N 0.002 122.821 122.820 -0.002 0.000 1.849 384 A HA 0.251 4.571 4.320 -0.000 0.000 0.217 384 A C 1.366 178.949 177.584 -0.002 0.000 1.202 384 A CA 2.929 54.964 52.037 -0.002 0.000 0.629 384 A CB -1.058 17.941 19.000 -0.002 0.000 0.834 384 A HN 2.112 nan 8.150 nan 0.000 0.447 385 T N -5.368 109.184 114.554 -0.002 0.000 2.804 385 T HA 0.528 4.878 4.350 -0.000 0.000 0.290 385 T C 0.484 175.182 174.700 -0.003 0.000 1.099 385 T CA 0.067 62.165 62.100 -0.003 0.000 1.011 385 T CB 1.662 70.528 68.868 -0.002 0.000 1.291 385 T HN 0.242 nan 8.240 nan 0.000 0.523 386 E N -0.205 119.993 120.200 -0.003 0.000 2.070 386 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 386 E C 2.040 178.638 176.600 -0.003 0.000 1.004 386 E CA 1.729 58.127 56.400 -0.003 0.000 0.805 386 E CB -0.387 29.311 29.700 -0.004 0.000 0.744 386 E HN 0.503 nan 8.360 nan 0.000 0.451 387 V N 0.697 120.609 119.914 -0.003 0.000 2.469 387 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 387 V C 2.218 178.310 176.094 -0.003 0.000 1.064 387 V CA 2.164 64.463 62.300 -0.003 0.000 1.066 387 V CB -0.506 31.315 31.823 -0.003 0.000 0.667 387 V HN 0.305 nan 8.190 nan 0.000 0.461 388 E N -0.831 119.367 120.200 -0.003 0.000 2.190 388 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 388 E C 2.199 178.798 176.600 -0.002 0.000 0.978 388 E CA 0.381 56.779 56.400 -0.002 0.000 0.839 388 E CB -0.022 29.677 29.700 -0.002 0.000 0.787 388 E HN 0.442 nan 8.360 nan 0.000 0.473 389 M N 0.984 120.582 119.600 -0.002 0.000 2.064 389 M HA -0.153 4.327 4.480 -0.000 0.000 0.260 389 M C 1.787 178.086 176.300 -0.002 0.000 1.073 389 M CA 1.693 56.992 55.300 -0.002 0.000 1.124 389 M CB -0.214 32.385 32.600 -0.003 0.000 1.326 389 M HN -0.064 nan 8.290 nan 0.000 0.410 390 K N -0.273 120.126 120.400 -0.002 0.000 2.209 390 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 390 K C 1.910 178.509 176.600 -0.001 0.000 1.048 390 K CA 0.947 57.233 56.287 -0.002 0.000 0.940 390 K CB -0.168 32.330 32.500 -0.003 0.000 0.729 390 K HN 0.385 nan 8.250 nan 0.000 0.451 391 E N 1.379 121.578 120.200 -0.002 0.000 2.208 391 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 391 E C 1.670 178.269 176.600 -0.001 0.000 0.988 391 E CA 1.115 57.514 56.400 -0.002 0.000 0.828 391 E CB 0.263 29.961 29.700 -0.002 0.000 0.763 391 E HN 0.157 nan 8.360 nan 0.000 0.478 392 K N 0.603 121.003 120.400 -0.000 0.000 2.137 392 K HA -0.053 4.267 4.320 -0.000 0.000 0.202 392 K C 2.236 178.837 176.600 0.003 0.000 1.052 392 K CA 0.613 56.901 56.287 0.001 0.000 0.961 392 K CB 0.097 32.597 32.500 0.000 0.000 0.741 392 K HN -0.114 nan 8.250 nan 0.000 0.452 393 K N 0.379 120.780 120.400 0.003 0.000 2.020 393 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 393 K C 1.865 178.470 176.600 0.008 0.000 1.050 393 K CA 1.696 57.986 56.287 0.005 0.000 0.929 393 K CB -0.201 32.301 32.500 0.003 0.000 0.714 393 K HN 0.187 nan 8.250 nan 0.000 0.443 394 A N 0.983 123.806 122.820 0.006 0.000 2.015 394 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 394 A C 1.957 179.546 177.584 0.008 0.000 1.163 394 A CA 0.976 53.017 52.037 0.006 0.000 0.646 394 A CB -0.305 18.695 19.000 0.000 0.000 0.806 394 A HN 0.307 nan 8.150 nan 0.000 0.448 395 R N -0.700 119.804 120.500 0.006 0.000 2.148 395 R HA -0.024 4.316 4.340 -0.000 0.000 0.223 395 R C 1.888 178.196 176.300 0.013 0.000 1.088 395 R CA 1.199 57.303 56.100 0.007 0.000 0.985 395 R CB -0.297 30.005 30.300 0.003 0.000 0.880 395 R HN 0.426 nan 8.270 nan 0.000 0.451 396 V N 1.125 121.048 119.914 0.014 0.000 2.323 396 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 396 V C 1.857 177.970 176.094 0.033 0.000 1.041 396 V CA 1.693 64.003 62.300 0.018 0.000 1.025 396 V CB -0.363 31.468 31.823 0.013 0.000 0.656 396 V HN 0.313 nan 8.190 nan 0.000 0.451 397 E N -0.063 120.161 120.200 0.040 0.000 2.265 397 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 397 E C 1.560 178.223 176.600 0.107 0.000 0.996 397 E CA 1.213 57.658 56.400 0.075 0.000 0.832 397 E CB -0.070 29.667 29.700 0.062 0.000 0.756 397 E HN 0.621 nan 8.360 nan 0.000 0.491 398 D N -0.434 120.000 120.400 0.058 0.000 2.346 398 D HA 0.055 4.695 4.640 -0.000 0.000 0.206 398 D C 1.604 177.939 176.300 0.058 0.000 1.001 398 D CA 0.431 54.460 54.000 0.048 0.000 0.871 398 D CB 0.330 41.136 40.800 0.010 0.000 0.943 398 D HN 0.109 nan 8.370 nan 0.000 0.518 399 A N 0.629 123.477 122.820 0.046 0.000 2.021 399 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 399 A C 2.094 179.702 177.584 0.039 0.000 1.163 399 A CA 0.407 52.465 52.037 0.035 0.000 0.676 399 A CB -0.284 18.728 19.000 0.020 0.000 0.818 399 A HN 0.173 nan 8.150 nan 0.000 0.453 400 L N -1.213 120.038 121.223 0.047 0.000 2.023 400 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 400 L C 2.425 179.303 176.870 0.014 0.000 1.073 400 L CA 1.760 56.611 54.840 0.018 0.000 0.745 400 L CB -0.555 41.504 42.059 0.000 0.000 0.900 400 L HN 0.485 nan 8.230 nan 0.000 0.435 401 H N -0.580 118.487 119.070 -0.004 0.000 2.390 401 H HA -0.164 4.392 4.556 -0.000 0.000 0.298 401 H C 2.033 177.360 175.328 -0.002 0.000 1.106 401 H CA 1.550 57.596 56.048 -0.004 0.000 1.297 401 H CB 0.064 29.824 29.762 -0.005 0.000 1.375 401 H HN 0.555 nan 8.280 nan 0.000 0.509 402 A N 0.050 122.939 122.820 0.115 0.000 1.929 402 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 402 A C 2.586 180.190 177.584 0.033 0.000 1.176 402 A CA 1.676 53.751 52.037 0.063 0.000 0.628 402 A CB -0.590 18.438 19.000 0.046 0.000 0.816 402 A HN 0.355 nan 8.150 nan 0.000 0.444 403 T N -0.497 114.069 114.554 0.021 0.000 2.821 403 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 403 T C 2.110 176.806 174.700 -0.007 0.000 1.046 403 T CA 0.989 63.092 62.100 0.005 0.000 1.139 403 T CB -0.210 68.658 68.868 -0.001 0.000 0.871 403 T HN 0.290 nan 8.240 nan 0.000 0.454 404 R N 1.256 121.742 120.500 -0.024 0.000 2.083 404 R HA 0.007 4.347 4.340 -0.000 0.000 0.237 404 R C 2.643 178.934 176.300 -0.016 0.000 1.137 404 R CA 1.640 57.715 56.100 -0.042 0.000 0.951 404 R CB -0.905 29.335 30.300 -0.100 0.000 0.851 404 R HN 0.446 nan 8.270 nan 0.000 0.434 405 A N 0.280 123.102 122.820 0.004 0.000 2.014 405 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 405 A C 2.195 179.788 177.584 0.015 0.000 1.163 405 A CA 1.302 53.349 52.037 0.017 0.000 0.652 405 A CB -0.261 18.761 19.000 0.036 0.000 0.808 405 A HN 0.355 nan 8.150 nan 0.000 0.449 406 A N -0.648 122.179 122.820 0.012 0.000 2.066 406 A HA 0.146 4.466 4.320 -0.000 0.000 0.218 406 A C 2.013 179.601 177.584 0.006 0.000 1.157 406 A CA 1.573 53.616 52.037 0.010 0.000 0.670 406 A CB -0.379 18.627 19.000 0.010 0.000 0.804 406 A HN 0.325 nan 8.150 nan 0.000 0.453 407 V N -0.560 119.355 119.914 0.002 0.000 2.575 407 V HA -0.117 4.002 4.120 -0.000 0.000 0.242 407 V C 2.252 178.347 176.094 0.002 0.000 1.045 407 V CA 1.611 63.911 62.300 -0.000 0.000 1.065 407 V CB -0.559 31.261 31.823 -0.006 0.000 0.717 407 V HN 0.572 nan 8.190 nan 0.000 0.467 408 E N 0.167 120.369 120.200 0.002 0.000 2.047 408 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 408 E C 1.878 178.483 176.600 0.009 0.000 0.987 408 E CA 1.484 57.887 56.400 0.005 0.000 0.799 408 E CB 0.067 29.770 29.700 0.006 0.000 0.752 408 E HN 0.640 nan 8.360 nan 0.000 0.449 409 E N -1.079 119.128 120.200 0.012 0.000 2.474 409 E HA 0.208 4.558 4.350 -0.000 0.000 0.215 409 E C 0.517 177.126 176.600 0.014 0.000 0.867 409 E CA 0.280 56.689 56.400 0.014 0.000 1.135 409 E CB 1.758 31.469 29.700 0.018 0.000 1.147 409 E HN 0.198 nan 8.360 nan 0.000 0.534 410 G N 1.222 110.030 108.800 0.013 0.000 2.466 410 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.316 410 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.316 410 G C -0.793 174.116 174.900 0.015 0.000 1.270 410 G CA -0.522 44.586 45.100 0.013 0.000 0.982 410 G HN 0.392 nan 8.290 nan 0.000 0.506 411 V N -2.002 117.921 119.914 0.015 0.000 2.588 411 V HA 0.893 5.013 4.120 -0.000 0.000 0.304 411 V C 0.753 176.857 176.094 0.017 0.000 1.042 411 V CA -0.068 62.242 62.300 0.016 0.000 0.877 411 V CB 0.789 32.621 31.823 0.014 0.000 0.996 411 V HN 2.179 nan 8.190 nan 0.000 0.425 412 V N 1.511 121.437 119.914 0.019 0.000 3.302 412 V HA 0.990 5.110 4.120 -0.000 0.000 0.316 412 V C 0.794 176.900 176.094 0.021 0.000 1.111 412 V CA -0.436 61.876 62.300 0.021 0.000 1.029 412 V CB 1.343 33.180 31.823 0.023 0.000 1.170 412 V HN 1.657 nan 8.190 nan 0.000 0.452 413 A N 0.794 123.628 122.820 0.024 0.000 2.454 413 A HA 0.658 4.978 4.320 -0.000 0.000 0.260 413 A C 0.824 178.420 177.584 0.020 0.000 1.106 413 A CA 0.366 52.417 52.037 0.023 0.000 0.780 413 A CB -0.509 18.510 19.000 0.032 0.000 1.044 413 A HN 1.698 nan 8.150 nan 0.000 0.498 414 G N 0.918 109.726 108.800 0.012 0.000 2.486 414 G HA2 0.486 4.446 3.960 -0.000 0.000 0.272 414 G HA3 0.486 4.446 3.960 -0.000 0.000 0.272 414 G C 1.186 176.092 174.900 0.010 0.000 1.426 414 G CA 0.033 45.138 45.100 0.009 0.000 1.058 414 G HN 2.239 nan 8.290 nan 0.000 0.531 415 G N -2.368 106.436 108.800 0.008 0.000 2.155 415 G HA2 0.203 4.163 3.960 -0.000 0.000 0.257 415 G HA3 0.203 4.163 3.960 -0.000 0.000 0.257 415 G C 1.531 176.447 174.900 0.027 0.000 0.983 415 G CA 1.107 46.217 45.100 0.015 0.000 0.676 415 G HN 2.514 nan 8.290 nan 0.000 0.528 416 G N -2.032 106.782 108.800 0.023 0.000 2.168 416 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.257 416 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.257 416 G C 1.777 176.695 174.900 0.030 0.000 0.997 416 G CA 1.966 47.081 45.100 0.025 0.000 0.708 416 G HN 2.247 nan 8.290 nan 0.000 0.520 417 V N -2.895 117.038 119.914 0.032 0.000 2.951 417 V HA 0.450 4.570 4.120 -0.000 0.000 0.255 417 V C 2.733 178.851 176.094 0.040 0.000 1.088 417 V CA 1.660 63.984 62.300 0.040 0.000 1.109 417 V CB -0.567 31.282 31.823 0.042 0.000 0.724 417 V HN 1.286 nan 8.190 nan 0.000 0.471 418 A N 1.242 124.082 122.820 0.034 0.000 1.883 418 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 418 A C 2.199 179.801 177.584 0.030 0.000 1.186 418 A CA 2.369 54.425 52.037 0.032 0.000 0.624 418 A CB -0.708 18.308 19.000 0.028 0.000 0.822 418 A HN 0.590 nan 8.150 nan 0.000 0.444 419 L N -1.073 120.168 121.223 0.029 0.000 2.109 419 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 419 L C 2.436 179.323 176.870 0.028 0.000 1.086 419 L CA 1.116 55.971 54.840 0.026 0.000 0.760 419 L CB -0.311 41.762 42.059 0.025 0.000 0.910 419 L HN 0.432 nan 8.230 nan 0.000 0.437 420 I N -0.540 120.049 120.570 0.031 0.000 2.676 420 I HA -0.229 3.941 4.170 -0.000 0.000 0.259 420 I C 2.639 178.779 176.117 0.038 0.000 1.194 420 I CA 0.644 61.964 61.300 0.034 0.000 1.473 420 I CB 0.075 38.097 38.000 0.037 0.000 1.096 420 I HN 0.173 nan 8.210 nan 0.000 0.443 421 R N 0.042 120.566 120.500 0.041 0.000 2.093 421 R HA -0.028 4.312 4.340 -0.000 0.000 0.224 421 R C 1.972 178.292 176.300 0.032 0.000 1.101 421 R CA 1.342 57.467 56.100 0.042 0.000 0.979 421 R CB -0.663 29.666 30.300 0.047 0.000 0.877 421 R HN 0.189 nan 8.270 nan 0.000 0.441 422 V N 0.809 120.740 119.914 0.028 0.000 2.407 422 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 422 V C 2.268 178.374 176.094 0.020 0.000 1.055 422 V CA 1.800 64.114 62.300 0.022 0.000 1.049 422 V CB -0.797 31.038 31.823 0.020 0.000 0.662 422 V HN 0.473 nan 8.190 nan 0.000 0.455 423 A N 0.822 123.655 122.820 0.022 0.000 1.883 423 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 423 A C 2.533 180.128 177.584 0.018 0.000 1.186 423 A CA 2.506 54.554 52.037 0.019 0.000 0.624 423 A CB -0.805 18.207 19.000 0.020 0.000 0.822 423 A HN 0.702 nan 8.150 nan 0.000 0.444 424 S N -0.698 115.015 115.700 0.021 0.000 2.453 424 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 424 S C 1.588 176.198 174.600 0.017 0.000 1.005 424 S CA 1.276 59.487 58.200 0.020 0.000 0.949 424 S CB -0.218 62.997 63.200 0.024 0.000 0.774 424 S HN 0.589 nan 8.310 nan 0.000 0.510 425 K N 0.385 120.795 120.400 0.017 0.000 2.426 425 K HA 0.342 4.662 4.320 -0.000 0.000 0.193 425 K C 0.640 177.247 176.600 0.012 0.000 1.028 425 K CA 0.237 56.532 56.287 0.014 0.000 1.047 425 K CB 0.021 32.530 32.500 0.016 0.000 0.821 425 K HN 0.385 nan 8.250 nan 0.000 0.513 426 L N -0.229 121.001 121.223 0.011 0.000 3.066 426 L HA 0.255 4.595 4.340 -0.000 0.000 0.265 426 L C 1.415 178.290 176.870 0.008 0.000 1.232 426 L CA -0.199 54.647 54.840 0.009 0.000 1.031 426 L CB 0.587 42.651 42.059 0.009 0.000 1.379 426 L HN 0.032 nan 8.230 nan 0.000 0.563 427 A N -0.487 122.338 122.820 0.009 0.000 2.067 427 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 427 A C 1.546 179.133 177.584 0.006 0.000 1.158 427 A CA 1.315 53.357 52.037 0.008 0.000 0.661 427 A CB -0.128 18.877 19.000 0.008 0.000 0.801 427 A HN 0.289 nan 8.150 nan 0.000 0.452 428 D N -1.026 119.377 120.400 0.006 0.000 2.340 428 D HA 0.125 4.765 4.640 -0.000 0.000 0.220 428 D C 0.200 176.503 176.300 0.004 0.000 1.039 428 D CA -0.052 53.951 54.000 0.005 0.000 0.866 428 D CB -0.050 40.752 40.800 0.004 0.000 0.913 428 D HN 0.338 nan 8.370 nan 0.000 0.523 429 L N 1.685 122.911 121.223 0.005 0.000 2.410 429 L HA 0.160 4.500 4.340 -0.000 0.000 0.273 429 L C 0.097 176.969 176.870 0.003 0.000 1.152 429 L CA 0.434 55.276 54.840 0.004 0.000 0.855 429 L CB 0.235 42.297 42.059 0.004 0.000 1.129 429 L HN -0.242 nan 8.230 nan 0.000 0.463 430 R N 3.015 123.517 120.500 0.003 0.000 2.867 430 R HA 0.632 4.972 4.340 -0.000 0.000 0.268 430 R C -0.054 176.247 176.300 0.002 0.000 1.014 430 R CA -0.274 55.828 56.100 0.002 0.000 0.946 430 R CB 1.499 31.800 30.300 0.002 0.000 1.208 430 R HN 0.809 nan 8.270 nan 0.000 0.477 431 G N -0.103 108.698 108.800 0.002 0.000 3.075 431 G HA2 0.138 4.098 3.960 -0.000 0.000 0.156 431 G HA3 0.138 4.098 3.960 -0.000 0.000 0.156 431 G C 0.205 175.106 174.900 0.001 0.000 1.403 431 G CA 0.052 45.153 45.100 0.002 0.000 1.033 431 G HN 0.442 nan 8.290 nan 0.000 0.589 432 Q N -0.692 119.109 119.800 0.001 0.000 2.442 432 Q HA 0.165 4.505 4.340 -0.000 0.000 0.228 432 Q C -0.001 176.000 176.000 0.001 0.000 0.902 432 Q CA 0.263 56.067 55.803 0.001 0.000 0.933 432 Q CB 0.467 29.206 28.738 0.001 0.000 1.071 432 Q HN 0.626 nan 8.270 nan 0.000 0.562 433 N N -1.302 117.399 118.700 0.001 0.000 2.629 433 N HA 0.068 4.808 4.740 -0.000 0.000 0.279 433 N C 0.124 175.635 175.510 0.002 0.000 1.344 433 N CA -0.482 52.569 53.050 0.002 0.000 0.789 433 N CB 0.537 39.025 38.487 0.001 0.000 1.508 433 N HN -0.261 nan 8.380 nan 0.000 0.516 434 E N -0.329 119.872 120.200 0.002 0.000 2.118 434 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 434 E C 0.413 177.015 176.600 0.002 0.000 0.992 434 E CA 1.714 58.115 56.400 0.002 0.000 0.804 434 E CB -0.317 29.384 29.700 0.002 0.000 0.741 434 E HN 0.595 nan 8.360 nan 0.000 0.458 435 D N -0.092 120.309 120.400 0.002 0.000 2.144 435 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 435 D C 1.858 178.160 176.300 0.003 0.000 0.984 435 D CA 0.889 54.890 54.000 0.003 0.000 0.834 435 D CB -0.194 40.608 40.800 0.003 0.000 0.955 435 D HN 0.387 nan 8.370 nan 0.000 0.465 436 Q N 0.069 119.871 119.800 0.003 0.000 2.123 436 Q HA -0.063 4.277 4.340 -0.000 0.000 0.199 436 Q C 1.773 177.775 176.000 0.003 0.000 0.966 436 Q CA 0.544 56.349 55.803 0.003 0.000 0.845 436 Q CB 0.043 28.782 28.738 0.002 0.000 0.907 436 Q HN 0.236 nan 8.270 nan 0.000 0.439 437 N N 0.134 118.835 118.700 0.003 0.000 2.166 437 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 437 N C 1.815 177.327 175.510 0.004 0.000 1.019 437 N CA 1.052 54.104 53.050 0.003 0.000 0.856 437 N CB -0.145 38.343 38.487 0.003 0.000 0.993 437 N HN 0.063 nan 8.380 nan 0.000 0.426 438 V N 0.576 120.492 119.914 0.004 0.000 2.453 438 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 438 V C 2.442 178.539 176.094 0.005 0.000 1.048 438 V CA 1.730 64.032 62.300 0.004 0.000 1.049 438 V CB -1.143 30.683 31.823 0.004 0.000 0.672 438 V HN 0.299 nan 8.190 nan 0.000 0.457 439 G N 0.324 109.127 108.800 0.005 0.000 2.442 439 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 439 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 439 G C 1.548 176.451 174.900 0.005 0.000 1.141 439 G CA 1.160 46.263 45.100 0.005 0.000 0.763 439 G HN 0.515 nan 8.290 nan 0.000 0.554 440 I N 0.161 120.733 120.570 0.004 0.000 2.233 440 I HA -0.077 4.093 4.170 -0.000 0.000 0.243 440 I C 2.589 178.709 176.117 0.006 0.000 1.093 440 I CA 0.895 62.198 61.300 0.005 0.000 1.380 440 I CB -0.083 37.920 38.000 0.004 0.000 1.067 440 I HN -0.059 nan 8.210 nan 0.000 0.413 441 K N 0.622 121.025 120.400 0.006 0.000 2.209 441 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 441 K C 2.141 178.745 176.600 0.007 0.000 1.048 441 K CA 0.924 57.214 56.287 0.006 0.000 0.940 441 K CB -0.499 32.005 32.500 0.006 0.000 0.729 441 K HN 0.220 nan 8.250 nan 0.000 0.451 442 V N 1.496 121.414 119.914 0.007 0.000 2.295 442 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 442 V C 2.446 178.545 176.094 0.009 0.000 1.049 442 V CA 2.014 64.318 62.300 0.008 0.000 1.024 442 V CB -0.696 31.132 31.823 0.007 0.000 0.648 442 V HN 0.286 nan 8.190 nan 0.000 0.447 443 A N -0.506 122.320 122.820 0.008 0.000 1.930 443 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 443 A C 2.173 179.763 177.584 0.011 0.000 1.175 443 A CA 1.563 53.605 52.037 0.009 0.000 0.627 443 A CB -0.458 18.547 19.000 0.008 0.000 0.815 443 A HN 0.517 nan 8.150 nan 0.000 0.443 444 L N -1.406 119.823 121.223 0.010 0.000 2.156 444 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 444 L C 2.666 179.543 176.870 0.012 0.000 1.095 444 L CA 0.951 55.798 54.840 0.011 0.000 0.770 444 L CB -0.358 41.707 42.059 0.010 0.000 0.914 444 L HN 0.300 nan 8.230 nan 0.000 0.439 445 R N -0.221 120.286 120.500 0.010 0.000 2.276 445 R HA 0.039 4.379 4.340 -0.000 0.000 0.203 445 R C 2.172 178.478 176.300 0.011 0.000 1.017 445 R CA 0.757 56.863 56.100 0.010 0.000 1.010 445 R CB -0.064 30.241 30.300 0.008 0.000 0.900 445 R HN 0.294 nan 8.270 nan 0.000 0.469 446 A N 0.389 123.216 122.820 0.012 0.000 2.021 446 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 446 A C 1.908 179.501 177.584 0.015 0.000 1.163 446 A CA 0.610 52.655 52.037 0.013 0.000 0.676 446 A CB -0.091 18.917 19.000 0.014 0.000 0.818 446 A HN 0.150 nan 8.150 nan 0.000 0.453 447 M N -0.495 119.114 119.600 0.015 0.000 2.476 447 M HA -0.057 4.423 4.480 -0.000 0.000 0.262 447 M C 1.573 177.884 176.300 0.018 0.000 1.079 447 M CA 0.935 56.246 55.300 0.018 0.000 1.104 447 M CB -0.135 32.476 32.600 0.018 0.000 1.409 447 M HN 0.427 nan 8.290 nan 0.000 0.467 448 E N 0.397 120.607 120.200 0.016 0.000 2.216 448 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 448 E C 2.140 178.746 176.600 0.011 0.000 0.988 448 E CA 0.811 57.220 56.400 0.015 0.000 0.834 448 E CB -0.040 29.667 29.700 0.012 0.000 0.772 448 E HN 0.514 nan 8.360 nan 0.000 0.479 449 A N 2.201 125.027 122.820 0.011 0.000 1.902 449 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 449 A C -0.328 177.261 177.584 0.008 0.000 1.181 449 A CA 1.125 53.167 52.037 0.008 0.000 0.623 449 A CB -1.370 17.636 19.000 0.009 0.000 0.818 449 A HN 0.126 nan 8.150 nan 0.000 0.443 450 P HA -0.185 nan 4.420 nan 0.000 0.214 450 P C 1.808 179.115 177.300 0.013 0.000 1.163 450 P CA 1.060 64.168 63.100 0.013 0.000 0.889 450 P CB -0.133 31.578 31.700 0.017 0.000 0.790 451 L N -0.714 120.518 121.223 0.014 0.000 1.989 451 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 451 L C 2.501 179.370 176.870 -0.002 0.000 1.071 451 L CA 1.787 56.636 54.840 0.014 0.000 0.749 451 L CB -0.358 41.712 42.059 0.019 0.000 0.890 451 L HN -0.197 nan 8.230 nan 0.000 0.431 452 R N -0.858 119.638 120.500 -0.007 0.000 2.127 452 R HA -0.240 4.100 4.340 -0.000 0.000 0.238 452 R C 2.291 178.580 176.300 -0.017 0.000 1.134 452 R CA 1.673 57.762 56.100 -0.019 0.000 0.975 452 R CB -0.275 30.018 30.300 -0.012 0.000 0.865 452 R HN 0.409 nan 8.270 nan 0.000 0.447 453 Q N 0.755 120.552 119.800 -0.006 0.000 2.123 453 Q HA -0.014 4.326 4.340 -0.000 0.000 0.199 453 Q C 1.777 177.776 176.000 -0.000 0.000 0.966 453 Q CA 1.291 57.093 55.803 -0.003 0.000 0.845 453 Q CB 0.059 28.799 28.738 0.002 0.000 0.907 453 Q HN 0.337 nan 8.270 nan 0.000 0.439 454 I N -0.841 119.732 120.570 0.006 0.000 2.252 454 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 454 I C 1.909 178.038 176.117 0.020 0.000 1.102 454 I CA 0.718 62.030 61.300 0.019 0.000 1.385 454 I CB -0.257 37.764 38.000 0.036 0.000 1.064 454 I HN 0.008 nan 8.210 nan 0.000 0.414 455 V N 0.701 120.608 119.914 -0.013 0.000 2.407 455 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 455 V C 2.391 178.458 176.094 -0.045 0.000 1.055 455 V CA 1.423 63.682 62.300 -0.069 0.000 1.049 455 V CB -0.511 31.206 31.823 -0.177 0.000 0.662 455 V HN 0.345 nan 8.190 nan 0.000 0.455 456 L N 0.943 122.148 121.223 -0.030 0.000 2.083 456 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 456 L C 2.145 179.011 176.870 -0.008 0.000 1.083 456 L CA 1.903 56.731 54.840 -0.020 0.000 0.752 456 L CB -0.787 41.264 42.059 -0.014 0.000 0.899 456 L HN 0.330 nan 8.230 nan 0.000 0.433 457 N N -1.529 117.171 118.700 0.000 0.000 2.309 457 N HA -0.177 4.563 4.740 -0.000 0.000 0.182 457 N C 1.838 177.356 175.510 0.012 0.000 1.018 457 N CA 1.362 54.416 53.050 0.006 0.000 0.876 457 N CB -0.986 37.506 38.487 0.008 0.000 0.972 457 N HN 0.458 nan 8.380 nan 0.000 0.434 458 C N -0.082 119.231 119.300 0.022 0.000 2.522 458 C HA 0.293 4.753 4.460 -0.000 0.000 0.271 458 C C 1.822 176.828 174.990 0.026 0.000 1.425 458 C CA 0.817 59.859 59.018 0.040 0.000 1.751 458 C CB -1.592 26.209 27.740 0.101 0.000 1.775 458 C HN 0.638 nan 8.230 nan 0.000 0.557 459 G N 0.378 109.182 108.800 0.007 0.000 2.284 459 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.247 459 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.247 459 G C 0.030 174.925 174.900 -0.008 0.000 1.012 459 G CA 0.402 45.503 45.100 0.002 0.000 0.618 459 G HN 0.576 nan 8.290 nan 0.000 0.521 460 E N 1.364 121.552 120.200 -0.020 0.000 2.392 460 E HA 0.333 4.683 4.350 -0.000 0.000 0.259 460 E C 0.378 176.939 176.600 -0.065 0.000 1.108 460 E CA -0.243 56.128 56.400 -0.048 0.000 0.916 460 E CB 0.464 30.106 29.700 -0.096 0.000 0.989 460 E HN 0.599 nan 8.360 nan 0.000 0.432 461 E N 3.046 123.212 120.200 -0.056 0.000 2.265 461 E HA 0.007 4.357 4.350 -0.000 0.000 0.272 461 E C -1.398 175.158 176.600 -0.072 0.000 1.067 461 E CA -1.373 54.998 56.400 -0.048 0.000 0.900 461 E CB 0.688 30.371 29.700 -0.028 0.000 1.017 461 E HN 0.229 nan 8.360 nan 0.000 0.431 462 P HA -0.203 nan 4.420 nan 0.000 0.217 462 P C 1.120 178.388 177.300 -0.053 0.000 1.150 462 P CA 1.194 64.250 63.100 -0.072 0.000 0.832 462 P CB 0.231 31.904 31.700 -0.046 0.000 0.787 463 S N 0.062 115.742 115.700 -0.033 0.000 2.370 463 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 463 S C 2.164 176.755 174.600 -0.015 0.000 1.033 463 S CA 1.546 59.735 58.200 -0.019 0.000 1.011 463 S CB -1.892 61.301 63.200 -0.012 0.000 0.852 463 S HN -0.011 nan 8.310 nan 0.000 0.457 464 V N 1.671 121.573 119.914 -0.020 0.000 2.307 464 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 464 V C 2.601 178.698 176.094 0.005 0.000 1.045 464 V CA 1.497 63.794 62.300 -0.005 0.000 1.024 464 V CB -0.834 30.987 31.823 -0.002 0.000 0.651 464 V HN 0.424 nan 8.190 nan 0.000 0.449 465 V N 0.343 120.236 119.914 -0.035 0.000 2.307 465 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 465 V C 2.723 178.832 176.094 0.026 0.000 1.045 465 V CA 1.904 64.186 62.300 -0.029 0.000 1.024 465 V CB -1.067 30.560 31.823 -0.327 0.000 0.651 465 V HN 0.540 nan 8.190 nan 0.000 0.449 466 A N 0.235 123.049 122.820 -0.009 0.000 1.933 466 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 466 A C 2.035 179.640 177.584 0.035 0.000 1.175 466 A CA 2.287 54.334 52.037 0.017 0.000 0.628 466 A CB -0.831 18.171 19.000 0.002 0.000 0.814 466 A HN 0.600 nan 8.150 nan 0.000 0.444 467 N N -0.719 117.996 118.700 0.025 0.000 2.244 467 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 467 N C 1.585 177.115 175.510 0.035 0.000 1.016 467 N CA 1.956 55.021 53.050 0.025 0.000 0.866 467 N CB -0.180 38.315 38.487 0.012 0.000 0.980 467 N HN 0.438 nan 8.380 nan 0.000 0.430 468 T N -1.084 113.496 114.554 0.044 0.000 2.896 468 T HA -0.000 4.350 4.350 -0.000 0.000 0.263 468 T C 1.933 176.712 174.700 0.131 0.000 1.050 468 T CA 0.746 62.865 62.100 0.032 0.000 1.140 468 T CB -0.228 68.594 68.868 -0.076 0.000 0.877 468 T HN -0.020 nan 8.240 nan 0.000 0.457 469 V N 1.578 121.589 119.914 0.161 0.000 2.427 469 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 469 V C 2.449 178.651 176.094 0.181 0.000 1.051 469 V CA 1.430 63.852 62.300 0.205 0.000 1.048 469 V CB -0.473 31.433 31.823 0.137 0.000 0.666 469 V HN 0.441 nan 8.190 nan 0.000 0.456 470 K N 0.190 120.655 120.400 0.109 0.000 2.148 470 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 470 K C 2.247 178.884 176.600 0.062 0.000 1.050 470 K CA 1.237 57.570 56.287 0.076 0.000 0.942 470 K CB -0.488 32.041 32.500 0.048 0.000 0.724 470 K HN 0.556 nan 8.250 nan 0.000 0.446 471 G N 1.252 110.085 108.800 0.055 0.000 2.402 471 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 471 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 471 G C 0.766 175.660 174.900 -0.010 0.000 1.162 471 G CA 0.688 45.797 45.100 0.015 0.000 0.777 471 G HN 0.373 nan 8.290 nan 0.000 0.539 472 G N -0.636 108.166 108.800 0.004 0.000 2.572 472 G HA2 0.467 4.427 3.960 -0.000 0.000 0.261 472 G HA3 0.467 4.427 3.960 -0.000 0.000 0.261 472 G C -1.065 173.850 174.900 0.026 0.000 1.197 472 G CA -0.359 44.679 45.100 -0.104 0.000 0.870 472 G HN 0.143 nan 8.290 nan 0.000 0.548 473 D N -1.003 119.388 120.400 -0.015 0.000 2.419 473 D HA 0.611 5.251 4.640 -0.000 0.000 0.234 473 D C 0.825 177.169 176.300 0.074 0.000 1.014 473 D CA 0.941 54.964 54.000 0.037 0.000 0.919 473 D CB 1.910 42.713 40.800 0.004 0.000 1.366 473 D HN 0.878 nan 8.370 nan 0.000 0.490 474 G N 1.389 110.235 108.800 0.077 0.000 2.496 474 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.243 474 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.243 474 G C 0.094 175.059 174.900 0.108 0.000 1.176 474 G CA -0.341 44.806 45.100 0.080 0.000 0.940 474 G HN 0.592 nan 8.290 nan 0.000 0.573 475 N N 0.490 119.257 118.700 0.111 0.000 2.346 475 N HA 0.177 4.917 4.740 -0.000 0.000 0.225 475 N C -0.282 175.315 175.510 0.145 0.000 1.144 475 N CA -0.038 53.074 53.050 0.103 0.000 0.837 475 N CB 0.336 38.865 38.487 0.070 0.000 1.069 475 N HN 0.443 nan 8.380 nan 0.000 0.487 476 Y N 1.165 121.496 120.300 0.052 0.000 2.393 476 Y HA 0.422 4.972 4.550 -0.000 0.000 0.338 476 Y C 0.446 176.413 175.900 0.112 0.000 1.029 476 Y CA -0.227 57.919 58.100 0.075 0.000 1.239 476 Y CB 0.433 38.929 38.460 0.060 0.000 1.170 476 Y HN -0.013 nan 8.280 nan 0.000 0.515 477 G N 4.201 112.812 108.800 -0.316 0.000 2.870 477 G HA2 0.257 4.217 3.960 -0.000 0.000 0.299 477 G HA3 0.257 4.217 3.960 -0.000 0.000 0.299 477 G C -2.417 172.393 174.900 -0.151 0.000 1.324 477 G CA -0.898 44.087 45.100 -0.190 0.000 0.808 477 G HN 0.519 nan 8.290 nan 0.000 0.535 478 Y N 1.258 121.441 120.300 -0.196 0.000 2.335 478 Y HA 0.575 5.125 4.550 -0.000 0.000 0.338 478 Y C -0.238 175.520 175.900 -0.237 0.000 0.977 478 Y CA -1.218 56.688 58.100 -0.324 0.000 1.114 478 Y CB 1.630 39.885 38.460 -0.342 0.000 1.182 478 Y HN 0.412 nan 8.280 nan 0.000 0.463 479 N N 4.622 122.844 118.700 -0.796 0.000 2.437 479 N HA 0.224 4.964 4.740 -0.000 0.000 0.243 479 N C 0.304 175.299 175.510 -0.859 0.000 1.041 479 N CA 0.511 53.201 53.050 -0.600 0.000 0.940 479 N CB 1.533 39.779 38.487 -0.402 0.000 1.133 479 N HN 0.917 nan 8.380 nan 0.000 0.506 480 A N 3.712 126.273 122.820 -0.432 0.000 2.014 480 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 480 A C 1.993 179.486 177.584 -0.151 0.000 1.163 480 A CA 1.445 53.376 52.037 -0.177 0.000 0.652 480 A CB -0.417 18.620 19.000 0.061 0.000 0.808 480 A HN 0.698 nan 8.150 nan 0.000 0.449 481 A N -0.220 122.506 122.820 -0.157 0.000 1.898 481 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 481 A C 2.287 179.799 177.584 -0.120 0.000 1.181 481 A CA 2.292 54.265 52.037 -0.107 0.000 0.620 481 A CB -0.931 18.016 19.000 -0.088 0.000 0.819 481 A HN 0.734 nan 8.150 nan 0.000 0.442 482 T N -3.809 110.636 114.554 -0.181 0.000 3.040 482 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 482 T C 0.292 174.880 174.700 -0.187 0.000 1.058 482 T CA 0.653 62.660 62.100 -0.156 0.000 0.988 482 T CB -0.193 68.590 68.868 -0.141 0.000 0.993 482 T HN 0.573 nan 8.240 nan 0.000 0.519 483 E N 1.069 121.088 120.200 -0.302 0.000 2.586 483 E HA -0.144 4.206 4.350 -0.000 0.000 0.259 483 E C -0.734 175.666 176.600 -0.333 0.000 1.107 483 E CA 0.549 56.769 56.400 -0.299 0.000 0.754 483 E CB -0.997 28.677 29.700 -0.044 0.000 1.335 483 E HN 0.643 nan 8.360 nan 0.000 0.411 484 E N -0.197 119.719 120.200 -0.472 0.000 2.212 484 E HA 0.351 4.701 4.350 -0.000 0.000 0.268 484 E C -0.461 175.896 176.600 -0.405 0.000 0.902 484 E CA -0.625 55.606 56.400 -0.282 0.000 0.779 484 E CB 1.060 30.676 29.700 -0.141 0.000 1.172 484 E HN 0.055 nan 8.360 nan 0.000 0.409 485 Y N 0.218 120.468 120.300 -0.083 0.000 2.326 485 Y HA 0.562 5.112 4.550 -0.000 0.000 0.324 485 Y C 1.256 177.112 175.900 -0.074 0.000 1.291 485 Y CA 0.627 58.662 58.100 -0.108 0.000 1.348 485 Y CB 1.537 39.996 38.460 -0.003 0.000 1.294 485 Y HN 0.699 nan 8.280 nan 0.000 0.525 486 G N 0.541 109.366 108.800 0.042 0.000 2.356 486 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.288 486 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.288 486 G C -1.815 173.143 174.900 0.097 0.000 1.302 486 G CA -1.243 43.941 45.100 0.141 0.000 0.887 486 G HN 0.539 nan 8.290 nan 0.000 0.521 487 N N 0.921 119.699 118.700 0.130 0.000 2.452 487 N HA 0.102 4.842 4.740 -0.000 0.000 0.266 487 N C 1.719 177.251 175.510 0.037 0.000 1.209 487 N CA -0.321 52.788 53.050 0.098 0.000 0.929 487 N CB 0.746 39.286 38.487 0.089 0.000 1.063 487 N HN 0.395 nan 8.380 nan 0.000 0.472 488 M N 3.647 123.262 119.600 0.025 0.000 2.132 488 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 488 M C 1.724 178.026 176.300 0.004 0.000 1.065 488 M CA 0.919 56.218 55.300 -0.001 0.000 1.122 488 M CB -0.615 31.985 32.600 -0.001 0.000 1.365 488 M HN 0.528 nan 8.290 nan 0.000 0.411 489 I N 0.771 121.351 120.570 0.017 0.000 2.208 489 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 489 I C 1.804 177.928 176.117 0.011 0.000 1.097 489 I CA 1.505 62.814 61.300 0.015 0.000 1.363 489 I CB -1.646 36.366 38.000 0.021 0.000 1.051 489 I HN 0.248 nan 8.210 nan 0.000 0.413 490 D N 0.327 120.736 120.400 0.016 0.000 2.219 490 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 490 D C 2.186 178.487 176.300 0.003 0.000 0.970 490 D CA 0.971 54.979 54.000 0.013 0.000 0.851 490 D CB -0.064 40.749 40.800 0.022 0.000 0.943 490 D HN 0.344 nan 8.370 nan 0.000 0.488 491 M N -0.873 118.725 119.600 -0.005 0.000 2.561 491 M HA 0.138 4.618 4.480 -0.000 0.000 0.238 491 M C 1.094 177.381 176.300 -0.022 0.000 1.131 491 M CA 0.372 55.660 55.300 -0.020 0.000 1.046 491 M CB 0.724 33.301 32.600 -0.038 0.000 1.532 491 M HN 0.095 nan 8.290 nan 0.000 0.497 492 G N 1.696 110.488 108.800 -0.013 0.000 2.179 492 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 492 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 492 G C 0.128 175.019 174.900 -0.014 0.000 0.977 492 G CA -0.227 44.866 45.100 -0.011 0.000 0.641 492 G HN 0.477 nan 8.290 nan 0.000 0.533 493 I N 1.553 122.112 120.570 -0.019 0.000 2.308 493 I HA 0.492 4.662 4.170 -0.000 0.000 0.293 493 I C 0.267 176.380 176.117 -0.008 0.000 1.078 493 I CA -0.528 60.760 61.300 -0.020 0.000 1.292 493 I CB 0.365 38.344 38.000 -0.035 0.000 1.423 493 I HN 0.260 nan 8.210 nan 0.000 0.493 494 L N 4.064 125.286 121.223 -0.002 0.000 2.466 494 L HA 0.710 5.050 4.340 -0.000 0.000 0.258 494 L C -1.405 175.470 176.870 0.008 0.000 0.973 494 L CA -0.832 54.011 54.840 0.005 0.000 0.826 494 L CB 1.648 43.712 42.059 0.008 0.000 1.372 494 L HN 0.102 nan 8.230 nan 0.000 0.409 495 D N 1.094 121.501 120.400 0.013 0.000 2.362 495 D HA 0.481 5.121 4.640 -0.000 0.000 0.247 495 D C -2.705 173.606 176.300 0.019 0.000 1.050 495 D CA -1.290 52.720 54.000 0.016 0.000 0.839 495 D CB 2.292 43.102 40.800 0.017 0.000 1.283 495 D HN 0.372 nan 8.370 nan 0.000 0.477 496 P HA 0.031 nan 4.420 nan 0.000 0.264 496 P C 0.906 178.222 177.300 0.026 0.000 1.193 496 P CA 0.071 63.186 63.100 0.024 0.000 0.763 496 P CB 0.591 32.308 31.700 0.029 0.000 0.810 497 T N 2.638 117.207 114.554 0.024 0.000 2.699 497 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 497 T C 1.624 176.342 174.700 0.030 0.000 1.036 497 T CA 1.371 63.486 62.100 0.025 0.000 1.147 497 T CB -0.313 68.567 68.868 0.021 0.000 0.862 497 T HN 0.494 nan 8.240 nan 0.000 0.446 498 K N 0.537 120.956 120.400 0.033 0.000 2.063 498 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 498 K C 2.386 179.017 176.600 0.052 0.000 1.048 498 K CA 1.382 57.694 56.287 0.041 0.000 0.928 498 K CB -0.499 32.025 32.500 0.041 0.000 0.713 498 K HN 0.240 nan 8.250 nan 0.000 0.442 499 V N 0.806 120.748 119.914 0.047 0.000 2.427 499 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 499 V C 1.651 177.775 176.094 0.050 0.000 1.051 499 V CA 2.540 64.869 62.300 0.048 0.000 1.048 499 V CB -0.386 31.459 31.823 0.037 0.000 0.666 499 V HN 0.468 nan 8.190 nan 0.000 0.456 500 T N 0.092 114.671 114.554 0.042 0.000 2.904 500 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 500 T C 1.953 176.681 174.700 0.046 0.000 1.059 500 T CA 1.540 63.664 62.100 0.040 0.000 1.137 500 T CB -0.306 68.581 68.868 0.032 0.000 0.879 500 T HN 0.518 nan 8.240 nan 0.000 0.467 501 R N 1.037 121.564 120.500 0.045 0.000 2.075 501 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 501 R C 2.508 178.847 176.300 0.065 0.000 1.126 501 R CA 1.537 57.662 56.100 0.042 0.000 0.963 501 R CB -0.304 30.015 30.300 0.032 0.000 0.858 501 R HN 0.230 nan 8.270 nan 0.000 0.435 502 S N 0.479 116.242 115.700 0.106 0.000 2.356 502 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 502 S C 1.982 176.729 174.600 0.244 0.000 1.032 502 S CA 1.159 59.489 58.200 0.216 0.000 1.005 502 S CB -0.195 63.137 63.200 0.221 0.000 0.867 502 S HN 0.563 nan 8.310 nan 0.000 0.449 503 A N 1.007 123.908 122.820 0.136 0.000 1.940 503 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 503 A C 2.121 179.765 177.584 0.101 0.000 1.176 503 A CA 1.365 53.465 52.037 0.106 0.000 0.631 503 A CB -0.573 18.463 19.000 0.060 0.000 0.814 503 A HN 0.422 nan 8.150 nan 0.000 0.446 504 L N -0.681 120.588 121.223 0.076 0.000 2.068 504 L HA -0.078 4.262 4.340 -0.000 0.000 0.204 504 L C 2.479 179.374 176.870 0.041 0.000 1.076 504 L CA 2.054 56.925 54.840 0.050 0.000 0.753 504 L CB -0.670 41.407 42.059 0.031 0.000 0.910 504 L HN 0.464 nan 8.230 nan 0.000 0.439 505 Q N -1.590 118.222 119.800 0.019 0.000 2.050 505 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 505 Q C 2.182 178.132 176.000 -0.083 0.000 0.980 505 Q CA 2.307 58.071 55.803 -0.065 0.000 0.840 505 Q CB -0.337 28.310 28.738 -0.152 0.000 0.898 505 Q HN 0.515 nan 8.270 nan 0.000 0.424 506 Y N -0.036 120.267 120.300 0.005 0.000 2.145 506 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 506 Y C 2.376 178.279 175.900 0.004 0.000 1.145 506 Y CA 1.188 59.290 58.100 0.004 0.000 1.148 506 Y CB -0.503 37.959 38.460 0.003 0.000 0.981 506 Y HN 0.152 nan 8.280 nan 0.000 0.507 507 A N -0.199 122.717 122.820 0.159 0.000 1.972 507 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 507 A C 2.379 179.997 177.584 0.056 0.000 1.169 507 A CA 1.796 53.887 52.037 0.091 0.000 0.635 507 A CB -1.121 17.919 19.000 0.068 0.000 0.810 507 A HN 0.413 nan 8.150 nan 0.000 0.446 508 A N -1.145 121.697 122.820 0.038 0.000 1.930 508 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 508 A C 2.416 180.006 177.584 0.010 0.000 1.176 508 A CA 1.790 53.836 52.037 0.016 0.000 0.632 508 A CB -0.836 18.165 19.000 0.001 0.000 0.819 508 A HN 0.515 nan 8.150 nan 0.000 0.445 509 S N -0.733 114.969 115.700 0.003 0.000 2.359 509 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 509 S C 1.970 176.584 174.600 0.023 0.000 1.035 509 S CA 1.789 59.986 58.200 -0.004 0.000 1.018 509 S CB -0.495 62.685 63.200 -0.033 0.000 0.876 509 S HN 0.428 nan 8.310 nan 0.000 0.448 510 V N 1.613 121.556 119.914 0.048 0.000 2.358 510 V HA 0.006 4.126 4.120 -0.000 0.000 0.246 510 V C 2.630 178.743 176.094 0.032 0.000 1.047 510 V CA 1.957 64.285 62.300 0.045 0.000 1.035 510 V CB -1.057 30.800 31.823 0.057 0.000 0.658 510 V HN 0.580 nan 8.190 nan 0.000 0.452 511 A N 0.033 122.871 122.820 0.030 0.000 1.940 511 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 511 A C 2.346 179.941 177.584 0.018 0.000 1.176 511 A CA 2.056 54.107 52.037 0.023 0.000 0.631 511 A CB -1.420 17.593 19.000 0.022 0.000 0.814 511 A HN 0.658 nan 8.150 nan 0.000 0.446 512 G N -0.254 108.555 108.800 0.015 0.000 2.418 512 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 512 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 512 G C 1.553 176.461 174.900 0.013 0.000 1.158 512 G CA 1.067 46.174 45.100 0.011 0.000 0.771 512 G HN 0.445 nan 8.290 nan 0.000 0.545 513 L N -0.378 120.854 121.223 0.016 0.000 2.093 513 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 513 L C 3.026 179.909 176.870 0.020 0.000 1.085 513 L CA 0.815 55.666 54.840 0.018 0.000 0.755 513 L CB -0.229 41.842 42.059 0.020 0.000 0.904 513 L HN 0.215 nan 8.230 nan 0.000 0.435 514 M N -0.939 118.674 119.600 0.022 0.000 2.349 514 M HA -0.124 4.356 4.480 -0.000 0.000 0.266 514 M C 2.145 178.457 176.300 0.021 0.000 1.076 514 M CA 1.474 56.787 55.300 0.023 0.000 1.126 514 M CB -0.017 32.597 32.600 0.024 0.000 1.392 514 M HN 0.209 nan 8.290 nan 0.000 0.440 515 I N -0.190 120.392 120.570 0.019 0.000 2.439 515 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 515 I C 1.822 177.950 176.117 0.018 0.000 1.139 515 I CA 1.211 62.522 61.300 0.017 0.000 1.438 515 I CB -0.166 37.843 38.000 0.014 0.000 1.085 515 I HN 0.323 nan 8.210 nan 0.000 0.427 516 T N -2.501 112.065 114.554 0.019 0.000 3.272 516 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 516 T C 0.617 175.333 174.700 0.026 0.000 1.082 516 T CA -0.161 61.951 62.100 0.021 0.000 0.968 516 T CB -0.756 68.123 68.868 0.018 0.000 1.015 516 T HN -0.007 nan 8.240 nan 0.000 0.563 517 T N 2.316 116.886 114.554 0.028 0.000 2.817 517 T HA 0.305 4.655 4.350 -0.000 0.000 0.293 517 T C 0.603 175.327 174.700 0.040 0.000 0.964 517 T CA -0.562 61.557 62.100 0.033 0.000 1.085 517 T CB 1.633 70.519 68.868 0.031 0.000 0.921 517 T HN 0.119 nan 8.240 nan 0.000 0.502 518 E N 0.460 120.693 120.200 0.054 0.000 2.441 518 E HA 0.157 4.507 4.350 -0.000 0.000 0.212 518 E C 0.074 176.736 176.600 0.103 0.000 0.840 518 E CA 0.154 56.603 56.400 0.083 0.000 1.143 518 E CB 0.890 30.649 29.700 0.099 0.000 1.153 518 E HN 0.573 nan 8.360 nan 0.000 0.539 519 C N 1.096 120.432 119.300 0.060 0.000 2.609 519 C HA 0.698 5.158 4.460 -0.000 0.000 0.313 519 C C -1.010 173.952 174.990 -0.047 0.000 1.175 519 C CA -0.522 58.475 59.018 -0.034 0.000 1.434 519 C CB 0.151 27.910 27.740 0.030 0.000 2.005 519 C HN 0.154 nan 8.230 nan 0.000 0.471 520 M N 5.404 124.957 119.600 -0.079 0.000 2.321 520 M HA 0.564 5.044 4.480 -0.000 0.000 0.315 520 M C -1.096 175.260 176.300 0.094 0.000 1.052 520 M CA -0.505 54.838 55.300 0.072 0.000 0.936 520 M CB 2.099 34.854 32.600 0.259 0.000 1.639 520 M HN 0.380 nan 8.290 nan 0.000 0.433 521 V N 1.798 121.720 119.914 0.014 0.000 2.443 521 V HA 0.653 4.773 4.120 -0.000 0.000 0.293 521 V C -0.307 175.711 176.094 -0.126 0.000 1.021 521 V CA -0.400 61.878 62.300 -0.037 0.000 0.848 521 V CB 1.788 33.589 31.823 -0.038 0.000 0.998 521 V HN 0.936 nan 8.190 nan 0.000 0.424 522 T N 2.159 116.576 114.554 -0.230 0.000 2.838 522 T HA 0.455 4.805 4.350 -0.000 0.000 0.292 522 T C -1.104 173.464 174.700 -0.220 0.000 1.113 522 T CA -0.537 61.376 62.100 -0.311 0.000 1.008 522 T CB 1.890 70.391 68.868 -0.611 0.000 1.259 522 T HN 0.613 nan 8.240 nan 0.000 0.520 523 D N 1.401 121.691 120.400 -0.182 0.000 2.382 523 D HA 0.305 4.945 4.640 -0.000 0.000 0.240 523 D C -0.142 176.092 176.300 -0.110 0.000 1.146 523 D CA -0.041 53.890 54.000 -0.115 0.000 0.897 523 D CB 0.492 41.239 40.800 -0.088 0.000 1.197 523 D HN 0.332 nan 8.370 nan 0.000 0.432 524 L N 3.612 124.800 121.223 -0.058 0.000 2.367 524 L HA 0.292 4.632 4.340 -0.000 0.000 0.275 524 L C -1.611 175.243 176.870 -0.025 0.000 1.129 524 L CA -0.959 53.864 54.840 -0.028 0.000 0.839 524 L CB 0.212 42.267 42.059 -0.006 0.000 1.133 524 L HN 0.376 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 525 P CB 0.000 31.706 31.700 0.010 0.000 0.726