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 2nwc_1_L 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 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 2.288 125.108 122.820 0.000 0.000 2.531 3 A HA 0.526 4.845 4.320 -0.001 0.000 0.236 3 A C 0.300 177.886 177.584 0.002 0.000 1.062 3 A CA 0.415 52.456 52.037 0.006 0.000 0.760 3 A CB 0.011 19.018 19.000 0.011 0.000 0.995 3 A HN 0.628 nan 8.150 nan 0.000 0.501 4 K N 1.237 121.643 120.400 0.010 0.000 2.221 4 K HA 0.403 4.722 4.320 -0.001 0.000 0.243 4 K C -1.268 175.351 176.600 0.032 0.000 0.968 4 K CA -0.722 55.567 56.287 0.004 0.000 0.846 4 K CB 1.608 34.108 32.500 -0.000 0.000 1.141 4 K HN 0.705 nan 8.250 nan 0.000 0.434 5 D N 1.326 121.750 120.400 0.041 0.000 2.349 5 D HA 0.277 4.916 4.640 -0.001 0.000 0.232 5 D C -1.193 175.249 176.300 0.238 0.000 1.071 5 D CA -0.527 53.564 54.000 0.151 0.000 0.832 5 D CB 1.064 41.988 40.800 0.206 0.000 1.086 5 D HN 0.048 nan 8.370 nan 0.000 0.504 6 V N 4.469 124.468 119.914 0.142 0.000 2.384 6 V HA 0.428 4.547 4.120 -0.001 0.000 0.287 6 V C 0.331 176.306 176.094 -0.198 0.000 1.020 6 V CA -0.737 61.544 62.300 -0.031 0.000 0.850 6 V CB 1.525 33.276 31.823 -0.120 0.000 0.987 6 V HN 0.335 nan 8.190 nan 0.000 0.436 7 K N 3.507 123.698 120.400 -0.348 0.000 2.259 7 K HA 0.747 5.067 4.320 -0.001 0.000 0.249 7 K C -1.500 174.766 176.600 -0.557 0.000 0.942 7 K CA -0.484 55.521 56.287 -0.469 0.000 0.816 7 K CB 2.140 34.180 32.500 -0.766 0.000 1.155 7 K HN 0.465 nan 8.250 nan 0.000 0.428 8 F N -0.021 119.877 119.950 -0.087 0.000 2.556 8 F HA 0.384 4.911 4.527 -0.001 0.000 0.327 8 F C 1.364 177.135 175.800 -0.049 0.000 1.059 8 F CA 0.056 58.029 58.000 -0.044 0.000 0.953 8 F CB 1.502 40.485 39.000 -0.029 0.000 1.227 8 F HN 0.814 nan 8.300 nan 0.000 0.478 9 G N 1.678 110.593 108.800 0.191 0.000 2.698 9 G HA2 -0.475 3.485 3.960 -0.001 0.000 0.346 9 G HA3 -0.475 3.485 3.960 -0.001 0.000 0.346 9 G C 1.362 176.288 174.900 0.043 0.000 1.287 9 G CA 1.122 46.280 45.100 0.097 0.000 0.990 9 G HN 0.792 nan 8.290 nan 0.000 0.545 10 N N 0.482 119.200 118.700 0.030 0.000 2.166 10 N HA -0.152 4.588 4.740 -0.001 0.000 0.186 10 N C 1.879 177.382 175.510 -0.012 0.000 1.019 10 N CA 1.950 55.004 53.050 0.008 0.000 0.856 10 N CB -0.251 38.239 38.487 0.006 0.000 0.993 10 N HN 0.534 nan 8.380 nan 0.000 0.426 11 D N 0.614 121.003 120.400 -0.019 0.000 2.104 11 D HA -0.080 4.560 4.640 -0.001 0.000 0.194 11 D C 1.821 178.049 176.300 -0.120 0.000 0.994 11 D CA 1.422 55.383 54.000 -0.064 0.000 0.830 11 D CB -0.286 40.476 40.800 -0.063 0.000 0.959 11 D HN 0.360 nan 8.370 nan 0.000 0.452 12 A N 0.305 123.053 122.820 -0.120 0.000 1.933 12 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 12 A C 2.344 179.893 177.584 -0.058 0.000 1.175 12 A CA 1.328 53.278 52.037 -0.145 0.000 0.628 12 A CB -0.445 18.491 19.000 -0.107 0.000 0.814 12 A HN 0.194 nan 8.150 nan 0.000 0.444 13 R N -0.483 120.001 120.500 -0.027 0.000 2.090 13 R HA -0.079 4.261 4.340 -0.001 0.000 0.228 13 R C 2.174 178.472 176.300 -0.003 0.000 1.110 13 R CA 1.437 57.535 56.100 -0.003 0.000 0.973 13 R CB -0.477 29.827 30.300 0.006 0.000 0.869 13 R HN 0.593 nan 8.270 nan 0.000 0.440 14 V N -0.625 119.281 119.914 -0.014 0.000 2.548 14 V HA -0.128 3.991 4.120 -0.001 0.000 0.249 14 V C 1.909 178.001 176.094 -0.002 0.000 1.055 14 V CA 1.330 63.625 62.300 -0.008 0.000 1.065 14 V CB -0.320 31.495 31.823 -0.013 0.000 0.681 14 V HN 0.065 nan 8.190 nan 0.000 0.462 15 K N 0.055 120.447 120.400 -0.014 0.000 2.026 15 K HA -0.069 4.251 4.320 -0.001 0.000 0.208 15 K C 2.244 178.875 176.600 0.051 0.000 1.048 15 K CA 2.230 58.528 56.287 0.018 0.000 0.929 15 K CB -0.532 31.969 32.500 0.001 0.000 0.713 15 K HN 0.519 nan 8.250 nan 0.000 0.439 16 M N 0.345 119.974 119.600 0.049 0.000 2.080 16 M HA -0.203 4.277 4.480 -0.001 0.000 0.260 16 M C 2.270 178.591 176.300 0.035 0.000 1.068 16 M CA 1.189 56.520 55.300 0.051 0.000 1.109 16 M CB -0.319 32.307 32.600 0.045 0.000 1.342 16 M HN 0.047 nan 8.290 nan 0.000 0.405 17 L N 0.511 121.749 121.223 0.025 0.000 2.012 17 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 17 L C 2.335 179.217 176.870 0.020 0.000 1.073 17 L CA 1.936 56.787 54.840 0.019 0.000 0.748 17 L CB -0.527 41.541 42.059 0.014 0.000 0.891 17 L HN 0.165 nan 8.230 nan 0.000 0.431 18 R N -0.591 119.921 120.500 0.021 0.000 2.105 18 R HA -0.117 4.222 4.340 -0.001 0.000 0.239 18 R C 2.228 178.542 176.300 0.024 0.000 1.135 18 R CA 1.186 57.299 56.100 0.021 0.000 0.967 18 R CB -1.028 29.285 30.300 0.022 0.000 0.861 18 R HN 0.602 nan 8.270 nan 0.000 0.442 19 G N 0.584 109.403 108.800 0.031 0.000 2.433 19 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.216 19 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.216 19 G C 1.431 176.344 174.900 0.021 0.000 1.186 19 G CA 0.883 46.000 45.100 0.029 0.000 0.779 19 G HN 0.305 nan 8.290 nan 0.000 0.543 20 V N 0.913 120.840 119.914 0.021 0.000 2.515 20 V HA -0.130 3.990 4.120 -0.001 0.000 0.250 20 V C 2.312 178.415 176.094 0.015 0.000 1.058 20 V CA 2.392 64.703 62.300 0.017 0.000 1.064 20 V CB -0.545 31.290 31.823 0.019 0.000 0.675 20 V HN 0.251 nan 8.190 nan 0.000 0.461 21 N N 0.689 119.398 118.700 0.015 0.000 2.104 21 N HA -0.139 4.600 4.740 -0.001 0.000 0.190 21 N C 1.787 177.304 175.510 0.010 0.000 1.024 21 N CA 1.959 55.016 53.050 0.012 0.000 0.853 21 N CB -0.631 37.863 38.487 0.012 0.000 1.008 21 N HN 0.511 nan 8.380 nan 0.000 0.424 22 V N 1.338 121.258 119.914 0.011 0.000 2.307 22 V HA -0.170 3.949 4.120 -0.001 0.000 0.245 22 V C 2.398 178.496 176.094 0.007 0.000 1.045 22 V CA 1.074 63.379 62.300 0.009 0.000 1.024 22 V CB -0.620 31.209 31.823 0.010 0.000 0.651 22 V HN 0.198 nan 8.190 nan 0.000 0.449 23 L N 0.997 122.225 121.223 0.008 0.000 2.017 23 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 23 L C 2.411 179.284 176.870 0.005 0.000 1.073 23 L CA 2.502 57.345 54.840 0.005 0.000 0.745 23 L CB -0.882 41.180 42.059 0.006 0.000 0.894 23 L HN 0.203 nan 8.230 nan 0.000 0.432 24 A N -0.845 121.979 122.820 0.008 0.000 1.873 24 A HA -0.178 4.141 4.320 -0.001 0.000 0.215 24 A C 1.967 179.555 177.584 0.007 0.000 1.186 24 A CA 1.688 53.730 52.037 0.008 0.000 0.616 24 A CB -0.868 18.138 19.000 0.011 0.000 0.823 24 A HN 0.533 nan 8.150 nan 0.000 0.442 25 D N 0.160 120.564 120.400 0.006 0.000 2.178 25 D HA -0.015 4.624 4.640 -0.001 0.000 0.201 25 D C 2.084 178.386 176.300 0.003 0.000 0.980 25 D CA 1.360 55.363 54.000 0.005 0.000 0.842 25 D CB -0.298 40.505 40.800 0.005 0.000 0.948 25 D HN 0.438 nan 8.370 nan 0.000 0.472 26 A N 0.145 122.966 122.820 0.002 0.000 1.929 26 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 26 A C 2.403 179.987 177.584 -0.000 0.000 1.176 26 A CA 0.793 52.830 52.037 -0.000 0.000 0.628 26 A CB -0.383 18.616 19.000 -0.001 0.000 0.816 26 A HN 0.152 nan 8.150 nan 0.000 0.444 27 V N 0.941 120.856 119.914 0.001 0.000 2.599 27 V HA -0.155 3.965 4.120 -0.001 0.000 0.245 27 V C 2.462 178.558 176.094 0.003 0.000 1.046 27 V CA 1.943 64.244 62.300 0.001 0.000 1.065 27 V CB -0.391 31.433 31.823 0.002 0.000 0.703 27 V HN 0.822 nan 8.190 nan 0.000 0.464 28 K N 1.265 121.668 120.400 0.005 0.000 2.362 28 K HA -0.074 4.245 4.320 -0.001 0.000 0.200 28 K C 1.728 178.331 176.600 0.005 0.000 1.046 28 K CA 1.650 57.941 56.287 0.006 0.000 0.952 28 K CB -0.462 32.042 32.500 0.008 0.000 0.753 28 K HN 0.479 nan 8.250 nan 0.000 0.466 29 V N -0.148 119.768 119.914 0.003 0.000 2.970 29 V HA -0.116 4.004 4.120 -0.001 0.000 0.260 29 V C 2.161 178.256 176.094 0.002 0.000 1.100 29 V CA 1.591 63.892 62.300 0.003 0.000 1.122 29 V CB -0.946 30.877 31.823 0.001 0.000 0.721 29 V HN 0.515 nan 8.190 nan 0.000 0.483 30 T N -2.224 112.331 114.554 0.001 0.000 3.081 30 T HA 0.203 4.553 4.350 -0.001 0.000 0.255 30 T C 0.636 175.337 174.700 0.002 0.000 1.113 30 T CA -0.026 62.073 62.100 -0.000 0.000 1.082 30 T CB -0.277 68.589 68.868 -0.002 0.000 0.939 30 T HN 0.338 nan 8.240 nan 0.000 0.506 31 L N 2.521 123.747 121.223 0.005 0.000 2.453 31 L HA 0.530 4.869 4.340 -0.001 0.000 0.272 31 L C 0.949 177.824 176.870 0.008 0.000 1.182 31 L CA 1.553 56.397 54.840 0.007 0.000 0.858 31 L CB -0.379 41.687 42.059 0.011 0.000 1.120 31 L HN 0.731 nan 8.230 nan 0.000 0.474 32 G N 4.403 113.208 108.800 0.007 0.000 2.756 32 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.678 32 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.678 32 G C -1.973 172.927 174.900 -0.001 0.000 1.349 32 G CA -0.289 44.815 45.100 0.007 0.000 0.847 32 G HN 0.584 nan 8.290 nan 0.000 0.548 33 P HA 0.041 nan 4.420 nan 0.000 0.221 33 P C 0.838 178.132 177.300 -0.009 0.000 1.150 33 P CA 1.167 64.258 63.100 -0.014 0.000 0.800 33 P CB 0.150 31.833 31.700 -0.028 0.000 0.787 34 K N 0.533 120.932 120.400 -0.001 0.000 2.681 34 K HA 0.270 4.589 4.320 -0.001 0.000 0.211 34 K C 0.974 177.576 176.600 0.003 0.000 1.075 34 K CA -0.182 56.106 56.287 0.002 0.000 1.141 34 K CB 0.451 32.956 32.500 0.009 0.000 0.896 34 K HN 0.048 nan 8.250 nan 0.000 0.470 35 G N 1.431 110.232 108.800 0.001 0.000 2.491 35 G HA2 0.068 4.028 3.960 -0.001 0.000 0.238 35 G HA3 0.068 4.028 3.960 -0.001 0.000 0.238 35 G C 0.192 175.092 174.900 -0.002 0.000 1.277 35 G CA -0.406 44.694 45.100 0.001 0.000 0.851 35 G HN 0.111 nan 8.290 nan 0.000 0.573 36 R N 0.795 121.294 120.500 -0.001 0.000 2.543 36 R HA 0.176 4.516 4.340 -0.001 0.000 0.268 36 R C 0.038 176.335 176.300 -0.005 0.000 1.067 36 R CA -0.666 55.432 56.100 -0.003 0.000 1.142 36 R CB 0.471 30.770 30.300 -0.002 0.000 1.110 36 R HN 0.635 nan 8.270 nan 0.000 0.549 37 N N -0.653 118.043 118.700 -0.007 0.000 2.529 37 N HA 0.217 4.957 4.740 -0.001 0.000 0.278 37 N C -0.825 174.679 175.510 -0.010 0.000 1.146 37 N CA -0.292 52.753 53.050 -0.009 0.000 0.980 37 N CB 1.091 39.571 38.487 -0.011 0.000 1.124 37 N HN 0.114 nan 8.380 nan 0.000 0.458 38 V N 2.086 121.993 119.914 -0.012 0.000 2.495 38 V HA 0.334 4.453 4.120 -0.001 0.000 0.298 38 V C -0.271 175.812 176.094 -0.018 0.000 1.031 38 V CA -0.834 61.459 62.300 -0.013 0.000 0.871 38 V CB 1.802 33.618 31.823 -0.011 0.000 0.988 38 V HN 0.327 nan 8.190 nan 0.000 0.432 39 V N 6.344 126.246 119.914 -0.020 0.000 2.350 39 V HA 0.437 4.556 4.120 -0.001 0.000 0.276 39 V C -0.124 175.951 176.094 -0.032 0.000 1.028 39 V CA -0.360 61.924 62.300 -0.027 0.000 0.860 39 V CB 1.116 32.923 31.823 -0.027 0.000 0.990 39 V HN 0.605 nan 8.190 nan 0.000 0.453 40 L N 3.716 124.916 121.223 -0.039 0.000 2.309 40 L HA 0.551 4.891 4.340 -0.001 0.000 0.282 40 L C -0.067 176.761 176.870 -0.069 0.000 1.036 40 L CA -0.542 54.271 54.840 -0.044 0.000 0.806 40 L CB 1.604 43.640 42.059 -0.038 0.000 1.220 40 L HN 0.485 nan 8.230 nan 0.000 0.429 41 D N 2.445 122.800 120.400 -0.074 0.000 2.277 41 D HA 0.146 4.786 4.640 -0.001 0.000 0.249 41 D C -0.494 175.703 176.300 -0.173 0.000 1.134 41 D CA -0.210 53.723 54.000 -0.111 0.000 0.863 41 D CB 1.241 41.991 40.800 -0.083 0.000 1.143 41 D HN 0.150 nan 8.370 nan 0.000 0.458 42 K N 1.358 121.575 120.400 -0.304 0.000 2.423 42 K HA 0.162 4.481 4.320 -0.001 0.000 0.234 42 K C 0.004 176.073 176.600 -0.884 0.000 1.051 42 K CA -0.482 55.429 56.287 -0.627 0.000 1.021 42 K CB 0.353 32.459 32.500 -0.657 0.000 1.474 42 K HN 0.202 nan 8.250 nan 0.000 0.474 43 S N 2.677 118.067 115.700 -0.518 0.000 3.361 43 S HA 0.024 4.494 4.470 -0.001 0.000 0.246 43 S C 0.199 174.782 174.600 -0.029 0.000 1.237 43 S CA -0.303 57.779 58.200 -0.196 0.000 1.240 43 S CB -1.109 62.087 63.200 -0.007 0.000 1.154 43 S HN 0.494 nan 8.310 nan 0.000 0.461 44 F N -3.477 116.472 119.950 -0.002 0.000 3.033 44 F HA 0.682 5.208 4.527 -0.001 0.000 0.332 44 F C 0.488 176.287 175.800 -0.002 0.000 1.266 44 F CA -0.707 57.292 58.000 -0.002 0.000 0.998 44 F CB 0.053 39.052 39.000 -0.002 0.000 1.438 44 F HN 0.399 nan 8.300 nan 0.000 0.501 45 G N 0.825 109.560 108.800 -0.108 0.000 2.539 45 G HA2 0.531 4.490 3.960 -0.001 0.000 0.138 45 G HA3 0.531 4.490 3.960 -0.001 0.000 0.138 45 G C -1.443 173.395 174.900 -0.104 0.000 1.148 45 G CA -0.112 44.955 45.100 -0.055 0.000 1.057 45 G HN 0.477 nan 8.290 nan 0.000 0.511 46 A N 0.946 123.715 122.820 -0.085 0.000 2.388 46 A HA 0.753 5.072 4.320 -0.001 0.000 0.257 46 A C -2.130 175.383 177.584 -0.118 0.000 1.095 46 A CA -0.753 51.237 52.037 -0.079 0.000 0.791 46 A CB -0.161 18.811 19.000 -0.047 0.000 1.029 46 A HN 0.386 nan 8.150 nan 0.000 0.489 47 P HA 0.290 nan 4.420 nan 0.000 0.274 47 P C -0.334 176.917 177.300 -0.082 0.000 1.237 47 P CA -0.074 62.962 63.100 -0.108 0.000 0.793 47 P CB 0.469 32.122 31.700 -0.079 0.000 0.977 48 T N 2.374 116.880 114.554 -0.080 0.000 2.780 48 T HA 0.398 4.748 4.350 -0.001 0.000 0.294 48 T C 0.406 175.082 174.700 -0.040 0.000 0.949 48 T CA -0.091 61.977 62.100 -0.054 0.000 1.074 48 T CB -0.213 68.626 68.868 -0.048 0.000 0.910 48 T HN 0.179 nan 8.240 nan 0.000 0.501 49 I N 2.981 123.533 120.570 -0.031 0.000 2.321 49 I HA 0.462 4.632 4.170 -0.001 0.000 0.291 49 I C 0.562 176.668 176.117 -0.020 0.000 0.998 49 I CA -0.366 60.920 61.300 -0.024 0.000 1.227 49 I CB 1.592 39.579 38.000 -0.021 0.000 1.368 49 I HN 0.503 nan 8.210 nan 0.000 0.466 50 T N 4.500 119.043 114.554 -0.018 0.000 2.900 50 T HA 0.392 4.741 4.350 -0.001 0.000 0.303 50 T C 0.034 174.727 174.700 -0.012 0.000 1.142 50 T CA -0.634 61.457 62.100 -0.015 0.000 1.007 50 T CB 1.563 70.422 68.868 -0.015 0.000 1.156 50 T HN 0.642 nan 8.240 nan 0.000 0.490 51 K N 1.489 121.883 120.400 -0.011 0.000 2.414 51 K HA 0.193 4.512 4.320 -0.001 0.000 0.204 51 K C -0.550 176.045 176.600 -0.008 0.000 1.026 51 K CA -0.300 55.982 56.287 -0.009 0.000 1.108 51 K CB 0.478 32.972 32.500 -0.009 0.000 0.855 51 K HN 0.408 nan 8.250 nan 0.000 0.517 52 D N 0.321 120.715 120.400 -0.009 0.000 2.347 52 D HA 0.102 4.742 4.640 -0.001 0.000 0.235 52 D C 1.137 177.433 176.300 -0.007 0.000 1.149 52 D CA -0.175 53.819 54.000 -0.009 0.000 0.850 52 D CB 1.331 42.124 40.800 -0.010 0.000 1.061 52 D HN 0.196 nan 8.370 nan 0.000 0.487 53 G N 2.526 111.323 108.800 -0.005 0.000 2.462 53 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.220 53 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.220 53 G C 1.485 176.381 174.900 -0.006 0.000 1.121 53 G CA 0.644 45.742 45.100 -0.004 0.000 0.758 53 G HN 0.482 nan 8.290 nan 0.000 0.559 54 V N 0.963 120.873 119.914 -0.007 0.000 2.358 54 V HA -0.158 3.961 4.120 -0.001 0.000 0.246 54 V C 3.072 179.161 176.094 -0.010 0.000 1.047 54 V CA 2.133 64.428 62.300 -0.008 0.000 1.035 54 V CB -0.486 31.333 31.823 -0.007 0.000 0.658 54 V HN 0.365 nan 8.190 nan 0.000 0.452 55 S N 0.059 115.754 115.700 -0.009 0.000 2.370 55 S HA -0.174 4.296 4.470 -0.001 0.000 0.226 55 S C 2.016 176.610 174.600 -0.010 0.000 1.033 55 S CA 1.555 59.749 58.200 -0.009 0.000 1.011 55 S CB -0.258 62.936 63.200 -0.009 0.000 0.852 55 S HN 0.390 nan 8.310 nan 0.000 0.457 56 V N 2.051 121.959 119.914 -0.010 0.000 2.307 56 V HA -0.187 3.933 4.120 -0.001 0.000 0.245 56 V C 2.692 178.781 176.094 -0.008 0.000 1.045 56 V CA 1.659 63.953 62.300 -0.009 0.000 1.024 56 V CB -1.302 30.516 31.823 -0.008 0.000 0.651 56 V HN 0.541 nan 8.190 nan 0.000 0.449 57 A N -0.143 122.671 122.820 -0.009 0.000 1.908 57 A HA -0.285 4.035 4.320 -0.001 0.000 0.218 57 A C 2.358 179.935 177.584 -0.012 0.000 1.181 57 A CA 2.156 54.187 52.037 -0.009 0.000 0.627 57 A CB -0.597 18.397 19.000 -0.011 0.000 0.818 57 A HN 0.482 nan 8.150 nan 0.000 0.445 58 R N -0.504 119.988 120.500 -0.014 0.000 2.103 58 R HA -0.154 4.185 4.340 -0.001 0.000 0.242 58 R C 1.934 178.228 176.300 -0.010 0.000 1.142 58 R CA 1.674 57.764 56.100 -0.016 0.000 0.960 58 R CB -0.166 30.124 30.300 -0.017 0.000 0.858 58 R HN 0.535 nan 8.270 nan 0.000 0.439 59 E N 0.142 120.338 120.200 -0.007 0.000 2.285 59 E HA -0.051 4.299 4.350 -0.001 0.000 0.194 59 E C 0.365 176.963 176.600 -0.003 0.000 0.997 59 E CA 0.318 56.716 56.400 -0.003 0.000 0.845 59 E CB 0.114 29.810 29.700 -0.006 0.000 0.782 59 E HN 0.219 nan 8.360 nan 0.000 0.491 60 I N 2.491 123.059 120.570 -0.004 0.000 2.578 60 I HA 0.041 4.211 4.170 -0.001 0.000 0.286 60 I C 0.442 176.558 176.117 -0.002 0.000 1.126 60 I CA 0.542 61.840 61.300 -0.003 0.000 1.380 60 I CB -0.422 37.577 38.000 -0.002 0.000 1.408 60 I HN -0.017 nan 8.210 nan 0.000 0.532 61 E N 7.052 127.252 120.200 -0.000 0.000 2.304 61 E HA 0.534 4.883 4.350 -0.001 0.000 0.277 61 E C -1.694 174.906 176.600 0.000 0.000 0.898 61 E CA -0.637 55.763 56.400 -0.001 0.000 0.764 61 E CB 2.128 31.828 29.700 0.001 0.000 1.216 61 E HN 0.430 nan 8.360 nan 0.000 0.419 62 L N 3.331 124.554 121.223 0.000 0.000 2.330 62 L HA 0.379 4.719 4.340 -0.001 0.000 0.271 62 L C 1.423 178.293 176.870 0.001 0.000 1.013 62 L CA -0.466 54.377 54.840 0.004 0.000 0.816 62 L CB 1.697 43.763 42.059 0.011 0.000 1.287 62 L HN 0.753 nan 8.230 nan 0.000 0.435 63 E N 0.882 121.085 120.200 0.005 0.000 2.047 63 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 63 E C 0.527 177.130 176.600 0.005 0.000 0.987 63 E CA 0.620 57.022 56.400 0.003 0.000 0.799 63 E CB 0.242 29.947 29.700 0.008 0.000 0.752 63 E HN 0.647 nan 8.360 nan 0.000 0.449 64 D N 0.749 121.163 120.400 0.023 0.000 2.412 64 D HA -0.062 4.578 4.640 -0.001 0.000 0.257 64 D C 0.504 176.817 176.300 0.021 0.000 1.217 64 D CA 0.231 54.260 54.000 0.048 0.000 0.897 64 D CB 0.861 41.711 40.800 0.084 0.000 1.132 64 D HN 0.134 nan 8.370 nan 0.000 0.493 65 K N 3.122 123.493 120.400 -0.048 0.000 2.147 65 K HA -0.143 4.177 4.320 -0.001 0.000 0.205 65 K C 1.726 178.189 176.600 -0.227 0.000 1.049 65 K CA 1.030 57.208 56.287 -0.183 0.000 0.936 65 K CB 0.032 32.342 32.500 -0.316 0.000 0.722 65 K HN 0.462 nan 8.250 nan 0.000 0.446 66 F N 1.614 121.554 119.950 -0.017 0.000 2.163 66 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 66 F C 2.292 178.083 175.800 -0.014 0.000 1.094 66 F CA 1.005 58.993 58.000 -0.021 0.000 1.290 66 F CB -0.324 38.662 39.000 -0.024 0.000 1.017 66 F HN 0.027 nan 8.300 nan 0.000 0.483 67 E N 0.098 120.404 120.200 0.177 0.000 2.077 67 E HA -0.265 4.084 4.350 -0.001 0.000 0.193 67 E C 1.825 178.456 176.600 0.052 0.000 0.989 67 E CA 1.414 57.870 56.400 0.094 0.000 0.800 67 E CB -0.395 29.348 29.700 0.072 0.000 0.746 67 E HN 0.323 nan 8.360 nan 0.000 0.452 68 N N 0.651 119.367 118.700 0.027 0.000 2.120 68 N HA -0.165 4.574 4.740 -0.001 0.000 0.188 68 N C 1.783 177.292 175.510 -0.002 0.000 1.024 68 N CA 1.280 54.331 53.050 0.002 0.000 0.852 68 N CB -0.017 38.458 38.487 -0.020 0.000 1.003 68 N HN 0.060 nan 8.380 nan 0.000 0.424 69 M N -0.480 119.116 119.600 -0.007 0.000 2.082 69 M HA -0.094 4.386 4.480 -0.001 0.000 0.258 69 M C 2.199 178.510 176.300 0.018 0.000 1.069 69 M CA 1.871 57.169 55.300 -0.004 0.000 1.102 69 M CB -0.781 31.816 32.600 -0.005 0.000 1.336 69 M HN 0.353 nan 8.290 nan 0.000 0.404 70 G N -0.121 108.702 108.800 0.037 0.000 2.529 70 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.219 70 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.219 70 G C 1.580 176.493 174.900 0.022 0.000 1.177 70 G CA 1.350 46.471 45.100 0.035 0.000 0.773 70 G HN 0.577 nan 8.290 nan 0.000 0.573 71 A N -0.205 122.626 122.820 0.018 0.000 1.877 71 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 71 A C 2.410 179.997 177.584 0.005 0.000 1.186 71 A CA 2.094 54.138 52.037 0.011 0.000 0.620 71 A CB -0.415 18.590 19.000 0.009 0.000 0.822 71 A HN 0.337 nan 8.150 nan 0.000 0.443 72 Q N -0.752 119.049 119.800 0.001 0.000 2.226 72 Q HA -0.085 4.255 4.340 -0.001 0.000 0.204 72 Q C 2.076 178.075 176.000 -0.003 0.000 0.975 72 Q CA 1.271 57.072 55.803 -0.005 0.000 0.866 72 Q CB -0.506 28.227 28.738 -0.009 0.000 0.915 72 Q HN 0.772 nan 8.270 nan 0.000 0.440 73 M N -0.325 119.277 119.600 0.004 0.000 2.077 73 M HA -0.136 4.344 4.480 -0.001 0.000 0.261 73 M C 2.265 178.571 176.300 0.010 0.000 1.070 73 M CA 1.438 56.743 55.300 0.009 0.000 1.125 73 M CB -0.341 32.269 32.600 0.017 0.000 1.339 73 M HN 0.162 nan 8.290 nan 0.000 0.409 74 V N -0.284 119.638 119.914 0.012 0.000 2.548 74 V HA -0.219 3.901 4.120 -0.001 0.000 0.249 74 V C 2.019 178.113 176.094 0.000 0.000 1.055 74 V CA 1.818 64.126 62.300 0.014 0.000 1.065 74 V CB -0.530 31.305 31.823 0.019 0.000 0.681 74 V HN 0.433 nan 8.190 nan 0.000 0.462 75 K N -0.496 119.900 120.400 -0.006 0.000 2.032 75 K HA -0.182 4.137 4.320 -0.001 0.000 0.209 75 K C 2.266 178.847 176.600 -0.033 0.000 1.048 75 K CA 1.991 58.268 56.287 -0.017 0.000 0.927 75 K CB -0.096 32.396 32.500 -0.015 0.000 0.712 75 K HN 0.497 nan 8.250 nan 0.000 0.441 76 E N -0.018 120.164 120.200 -0.031 0.000 2.107 76 E HA -0.134 4.216 4.350 -0.001 0.000 0.191 76 E C 2.068 178.617 176.600 -0.084 0.000 0.982 76 E CA 1.327 57.699 56.400 -0.047 0.000 0.809 76 E CB -0.203 29.479 29.700 -0.030 0.000 0.756 76 E HN 0.325 nan 8.360 nan 0.000 0.459 77 V N -0.842 119.035 119.914 -0.062 0.000 2.591 77 V HA 0.087 4.207 4.120 -0.001 0.000 0.249 77 V C 2.221 178.200 176.094 -0.193 0.000 1.053 77 V CA 1.532 63.772 62.300 -0.101 0.000 1.068 77 V CB -0.506 31.352 31.823 0.058 0.000 0.689 77 V HN 0.113 nan 8.190 nan 0.000 0.462 78 A N 1.791 124.558 122.820 -0.088 0.000 1.933 78 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 78 A C 2.591 180.100 177.584 -0.126 0.000 1.175 78 A CA 2.441 54.434 52.037 -0.072 0.000 0.628 78 A CB -1.069 17.918 19.000 -0.022 0.000 0.814 78 A HN 1.007 nan 8.150 nan 0.000 0.444 79 S N -0.127 115.496 115.700 -0.128 0.000 2.423 79 S HA -0.132 4.337 4.470 -0.001 0.000 0.231 79 S C 1.757 176.243 174.600 -0.191 0.000 1.014 79 S CA 1.283 59.412 58.200 -0.119 0.000 0.965 79 S CB -0.328 62.823 63.200 -0.081 0.000 0.785 79 S HN 0.578 nan 8.310 nan 0.000 0.495 80 K N 1.458 121.646 120.400 -0.353 0.000 2.148 80 K HA 0.082 4.401 4.320 -0.001 0.000 0.204 80 K C 2.524 178.800 176.600 -0.540 0.000 1.050 80 K CA 1.046 57.011 56.287 -0.537 0.000 0.942 80 K CB -0.562 31.403 32.500 -0.892 0.000 0.724 80 K HN 0.524 nan 8.250 nan 0.000 0.446 81 A N 1.883 124.414 122.820 -0.481 0.000 1.877 81 A HA -0.237 4.083 4.320 -0.001 0.000 0.216 81 A C 1.932 179.501 177.584 -0.026 0.000 1.186 81 A CA 1.982 53.968 52.037 -0.085 0.000 0.620 81 A CB -0.730 18.300 19.000 0.050 0.000 0.822 81 A HN 0.335 nan 8.150 nan 0.000 0.443 82 N N -0.266 118.405 118.700 -0.050 0.000 2.188 82 N HA -0.130 4.609 4.740 -0.001 0.000 0.184 82 N C 1.175 176.686 175.510 0.001 0.000 1.018 82 N CA 1.380 54.427 53.050 -0.006 0.000 0.858 82 N CB -0.106 38.376 38.487 -0.008 0.000 0.989 82 N HN 0.418 nan 8.380 nan 0.000 0.426 83 D N -0.159 120.216 120.400 -0.043 0.000 2.117 83 D HA -0.105 4.535 4.640 -0.001 0.000 0.197 83 D C 1.675 177.953 176.300 -0.037 0.000 0.987 83 D CA 1.121 55.097 54.000 -0.041 0.000 0.829 83 D CB -0.262 40.490 40.800 -0.078 0.000 0.961 83 D HN 0.375 nan 8.370 nan 0.000 0.460 84 A N 0.281 123.092 122.820 -0.016 0.000 1.970 84 A HA 0.264 4.583 4.320 -0.001 0.000 0.216 84 A C 2.018 179.606 177.584 0.006 0.000 1.170 84 A CA 1.612 53.658 52.037 0.015 0.000 0.645 84 A CB 0.084 19.144 19.000 0.099 0.000 0.816 84 A HN 0.231 nan 8.150 nan 0.000 0.447 85 A N -3.038 119.797 122.820 0.025 0.000 2.390 85 A HA 0.471 4.791 4.320 -0.001 0.000 0.225 85 A C 1.636 179.257 177.584 0.062 0.000 1.232 85 A CA 1.034 53.093 52.037 0.035 0.000 0.964 85 A CB -0.123 18.910 19.000 0.054 0.000 1.064 85 A HN 1.804 nan 8.150 nan 0.000 0.525 86 G N -0.816 108.039 108.800 0.092 0.000 2.159 86 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.256 86 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.256 86 G C -0.202 174.757 174.900 0.099 0.000 0.977 86 G CA 0.598 45.812 45.100 0.189 0.000 0.652 86 G HN 0.863 nan 8.290 nan 0.000 0.531 87 D N -2.732 117.706 120.400 0.063 0.000 2.742 87 D HA 0.578 5.218 4.640 -0.001 0.000 0.262 87 D C 0.803 177.126 176.300 0.037 0.000 1.240 87 D CA 1.347 55.371 54.000 0.041 0.000 0.752 87 D CB 0.518 41.341 40.800 0.038 0.000 1.290 87 D HN 1.348 nan 8.370 nan 0.000 0.420 88 G N 0.047 108.865 108.800 0.029 0.000 2.192 88 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.193 88 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.193 88 G C 1.141 176.058 174.900 0.028 0.000 0.999 88 G CA 0.737 45.858 45.100 0.035 0.000 0.659 88 G HN 0.555 nan 8.290 nan 0.000 0.503 89 T N 1.187 115.748 114.554 0.012 0.000 2.684 89 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 89 T C 2.572 177.276 174.700 0.007 0.000 1.036 89 T CA 2.594 64.694 62.100 -0.000 0.000 1.148 89 T CB -0.411 68.450 68.868 -0.012 0.000 0.863 89 T HN 0.456 nan 8.240 nan 0.000 0.436 90 T N 1.552 116.111 114.554 0.009 0.000 2.708 90 T HA -0.104 4.245 4.350 -0.001 0.000 0.266 90 T C 2.269 176.979 174.700 0.017 0.000 1.037 90 T CA 1.686 63.792 62.100 0.010 0.000 1.146 90 T CB -0.724 68.149 68.868 0.008 0.000 0.865 90 T HN 0.418 nan 8.240 nan 0.000 0.435 91 T N 2.260 116.827 114.554 0.022 0.000 2.684 91 T HA -0.102 4.248 4.350 -0.001 0.000 0.267 91 T C 2.409 177.130 174.700 0.034 0.000 1.036 91 T CA 1.293 63.409 62.100 0.027 0.000 1.148 91 T CB -0.675 68.212 68.868 0.031 0.000 0.863 91 T HN 0.439 nan 8.240 nan 0.000 0.436 92 A N 1.394 124.238 122.820 0.041 0.000 1.908 92 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 92 A C 2.567 180.175 177.584 0.041 0.000 1.181 92 A CA 2.234 54.303 52.037 0.054 0.000 0.627 92 A CB -1.309 17.732 19.000 0.068 0.000 0.818 92 A HN 0.513 nan 8.150 nan 0.000 0.445 93 T N -0.324 114.247 114.554 0.027 0.000 2.737 93 T HA -0.122 4.227 4.350 -0.001 0.000 0.265 93 T C 1.999 176.712 174.700 0.021 0.000 1.038 93 T CA 1.875 63.988 62.100 0.021 0.000 1.144 93 T CB -0.761 68.115 68.868 0.013 0.000 0.866 93 T HN 0.702 nan 8.240 nan 0.000 0.434 94 V N 0.517 120.444 119.914 0.020 0.000 2.515 94 V HA 0.003 4.122 4.120 -0.001 0.000 0.250 94 V C 2.167 178.274 176.094 0.021 0.000 1.058 94 V CA 1.307 63.618 62.300 0.019 0.000 1.064 94 V CB -0.981 30.852 31.823 0.017 0.000 0.675 94 V HN 0.442 nan 8.190 nan 0.000 0.461 95 L N 0.682 121.920 121.223 0.026 0.000 2.027 95 L HA -0.006 4.333 4.340 -0.001 0.000 0.206 95 L C 3.094 179.980 176.870 0.027 0.000 1.074 95 L CA 1.762 56.619 54.840 0.027 0.000 0.745 95 L CB -0.968 41.110 42.059 0.033 0.000 0.898 95 L HN 0.426 nan 8.230 nan 0.000 0.433 96 A N -0.471 122.368 122.820 0.031 0.000 1.892 96 A HA -0.330 3.989 4.320 -0.001 0.000 0.218 96 A C 2.259 179.857 177.584 0.024 0.000 1.188 96 A CA 2.170 54.226 52.037 0.031 0.000 0.631 96 A CB -0.740 18.281 19.000 0.035 0.000 0.822 96 A HN 0.528 nan 8.150 nan 0.000 0.447 97 Q N -0.665 119.148 119.800 0.021 0.000 2.096 97 Q HA -0.165 4.174 4.340 -0.001 0.000 0.204 97 Q C 2.186 178.196 176.000 0.016 0.000 0.982 97 Q CA 1.808 57.622 55.803 0.018 0.000 0.850 97 Q CB -0.350 28.397 28.738 0.015 0.000 0.901 97 Q HN 0.619 nan 8.270 nan 0.000 0.422 98 A N 0.579 123.409 122.820 0.016 0.000 1.898 98 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 98 A C 1.964 179.557 177.584 0.014 0.000 1.181 98 A CA 1.261 53.306 52.037 0.015 0.000 0.620 98 A CB -0.554 18.455 19.000 0.015 0.000 0.819 98 A HN 0.472 nan 8.150 nan 0.000 0.442 99 I N -0.440 120.139 120.570 0.016 0.000 2.163 99 I HA -0.235 3.934 4.170 -0.001 0.000 0.240 99 I C 2.309 178.435 176.117 0.015 0.000 1.081 99 I CA 1.330 62.640 61.300 0.016 0.000 1.353 99 I CB -0.428 37.583 38.000 0.018 0.000 1.054 99 I HN 0.262 nan 8.210 nan 0.000 0.407 100 I N 0.524 121.104 120.570 0.017 0.000 2.163 100 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 100 I C 2.622 178.747 176.117 0.014 0.000 1.085 100 I CA 1.699 63.009 61.300 0.016 0.000 1.347 100 I CB -0.696 37.315 38.000 0.019 0.000 1.044 100 I HN 0.245 nan 8.210 nan 0.000 0.408 101 T N 0.208 114.769 114.554 0.013 0.000 2.635 101 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 101 T C 1.839 176.545 174.700 0.010 0.000 1.040 101 T CA 1.461 63.568 62.100 0.011 0.000 1.156 101 T CB -0.200 68.674 68.868 0.010 0.000 0.863 101 T HN 0.317 nan 8.240 nan 0.000 0.430 102 E N 0.496 120.702 120.200 0.010 0.000 2.072 102 E HA 0.017 4.366 4.350 -0.001 0.000 0.190 102 E C 2.608 179.214 176.600 0.009 0.000 0.982 102 E CA 0.946 57.351 56.400 0.009 0.000 0.803 102 E CB -0.804 28.901 29.700 0.009 0.000 0.755 102 E HN 0.556 nan 8.360 nan 0.000 0.453 103 G N 1.689 110.495 108.800 0.010 0.000 2.446 103 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 103 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 103 G C 1.724 176.630 174.900 0.010 0.000 1.168 103 G CA 0.613 45.719 45.100 0.010 0.000 0.771 103 G HN 0.166 nan 8.290 nan 0.000 0.551 104 L N -0.253 120.976 121.223 0.010 0.000 2.093 104 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 104 L C 2.936 179.811 176.870 0.008 0.000 1.085 104 L CA 1.056 55.902 54.840 0.010 0.000 0.755 104 L CB -0.350 41.715 42.059 0.010 0.000 0.904 104 L HN 0.208 nan 8.230 nan 0.000 0.435 105 K N 0.324 120.728 120.400 0.007 0.000 2.063 105 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 105 K C 2.232 178.835 176.600 0.005 0.000 1.048 105 K CA 1.502 57.792 56.287 0.006 0.000 0.928 105 K CB -0.227 32.276 32.500 0.005 0.000 0.713 105 K HN 0.287 nan 8.250 nan 0.000 0.442 106 A N 0.742 123.565 122.820 0.006 0.000 1.930 106 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 106 A C 2.317 179.904 177.584 0.006 0.000 1.175 106 A CA 1.238 53.278 52.037 0.006 0.000 0.627 106 A CB -0.494 18.509 19.000 0.006 0.000 0.815 106 A HN 0.072 nan 8.150 nan 0.000 0.443 107 V N -0.109 119.809 119.914 0.007 0.000 2.343 107 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 107 V C 3.019 179.117 176.094 0.007 0.000 1.051 107 V CA 1.860 64.165 62.300 0.008 0.000 1.036 107 V CB -1.168 30.662 31.823 0.011 0.000 0.654 107 V HN 0.594 nan 8.190 nan 0.000 0.451 108 A N -0.047 122.777 122.820 0.006 0.000 2.019 108 A HA -0.035 4.284 4.320 -0.001 0.000 0.219 108 A C 2.322 179.908 177.584 0.003 0.000 1.164 108 A CA 1.736 53.775 52.037 0.004 0.000 0.644 108 A CB -0.574 18.428 19.000 0.004 0.000 0.805 108 A HN 0.573 nan 8.150 nan 0.000 0.449 109 A N -1.798 121.024 122.820 0.003 0.000 2.119 109 A HA 0.365 4.685 4.320 -0.001 0.000 0.217 109 A C 1.804 179.389 177.584 0.002 0.000 1.153 109 A CA 1.466 53.505 52.037 0.003 0.000 0.692 109 A CB -0.735 18.267 19.000 0.003 0.000 0.799 109 A HN 1.870 nan 8.150 nan 0.000 0.458 110 G N -2.080 106.722 108.800 0.003 0.000 2.138 110 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.193 110 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.193 110 G C 0.057 174.959 174.900 0.004 0.000 0.998 110 G CA 0.077 45.179 45.100 0.003 0.000 0.668 110 G HN 0.339 nan 8.290 nan 0.000 0.516 111 M N 0.674 120.277 119.600 0.005 0.000 2.255 111 M HA 0.274 4.754 4.480 -0.001 0.000 0.336 111 M C 0.674 176.977 176.300 0.006 0.000 1.135 111 M CA -0.596 54.706 55.300 0.005 0.000 1.145 111 M CB 0.579 33.182 32.600 0.005 0.000 1.473 111 M HN 0.144 nan 8.290 nan 0.000 0.462 112 N N 2.766 121.470 118.700 0.006 0.000 2.452 112 N HA 0.090 4.829 4.740 -0.001 0.000 0.266 112 N C -2.067 173.448 175.510 0.008 0.000 1.175 112 N CA -1.179 51.875 53.050 0.007 0.000 0.945 112 N CB 1.147 39.637 38.487 0.006 0.000 1.063 112 N HN 0.300 nan 8.380 nan 0.000 0.472 113 P HA -0.092 nan 4.420 nan 0.000 0.217 113 P C 1.603 178.910 177.300 0.011 0.000 1.150 113 P CA 1.137 64.244 63.100 0.012 0.000 0.832 113 P CB 0.255 31.965 31.700 0.015 0.000 0.787 114 M N -0.748 118.858 119.600 0.011 0.000 2.132 114 M HA -0.112 4.368 4.480 -0.001 0.000 0.263 114 M C 1.480 177.784 176.300 0.007 0.000 1.065 114 M CA 1.604 56.910 55.300 0.010 0.000 1.122 114 M CB -1.650 30.956 32.600 0.009 0.000 1.365 114 M HN -0.031 nan 8.290 nan 0.000 0.411 115 D N 0.480 120.884 120.400 0.007 0.000 2.117 115 D HA -0.056 4.584 4.640 -0.001 0.000 0.198 115 D C 2.305 178.608 176.300 0.005 0.000 0.982 115 D CA 0.967 54.970 54.000 0.005 0.000 0.828 115 D CB -0.155 40.648 40.800 0.005 0.000 0.967 115 D HN 0.310 nan 8.370 nan 0.000 0.464 116 L N 0.719 121.946 121.223 0.006 0.000 2.042 116 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 116 L C 2.530 179.404 176.870 0.007 0.000 1.076 116 L CA 1.168 56.012 54.840 0.007 0.000 0.749 116 L CB -0.311 41.752 42.059 0.008 0.000 0.893 116 L HN -0.026 nan 8.230 nan 0.000 0.432 117 K N 0.225 120.629 120.400 0.007 0.000 2.057 117 K HA -0.220 4.100 4.320 -0.001 0.000 0.207 117 K C 2.353 178.955 176.600 0.004 0.000 1.049 117 K CA 1.342 57.633 56.287 0.007 0.000 0.931 117 K CB -0.003 32.502 32.500 0.008 0.000 0.714 117 K HN 0.086 nan 8.250 nan 0.000 0.440 118 R N -0.337 120.165 120.500 0.003 0.000 2.096 118 R HA -0.087 4.252 4.340 -0.001 0.000 0.235 118 R C 2.232 178.532 176.300 0.001 0.000 1.127 118 R CA 1.516 57.616 56.100 0.001 0.000 0.968 118 R CB -0.369 29.932 30.300 0.002 0.000 0.861 118 R HN 0.375 nan 8.270 nan 0.000 0.440 119 G N 0.755 109.556 108.800 0.002 0.000 2.404 119 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.215 119 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.215 119 G C 1.400 176.301 174.900 0.002 0.000 1.174 119 G CA 0.806 45.908 45.100 0.002 0.000 0.780 119 G HN 0.234 nan 8.290 nan 0.000 0.537 120 I N 1.175 121.746 120.570 0.003 0.000 2.151 120 I HA -0.187 3.983 4.170 -0.001 0.000 0.243 120 I C 2.352 178.469 176.117 -0.001 0.000 1.080 120 I CA 1.444 62.745 61.300 0.003 0.000 1.339 120 I CB -0.169 37.834 38.000 0.005 0.000 1.039 120 I HN 0.059 nan 8.210 nan 0.000 0.409 121 D N 0.593 120.992 120.400 -0.003 0.000 2.117 121 D HA -0.212 4.427 4.640 -0.001 0.000 0.197 121 D C 2.075 178.370 176.300 -0.008 0.000 0.987 121 D CA 1.192 55.187 54.000 -0.008 0.000 0.829 121 D CB -0.249 40.546 40.800 -0.008 0.000 0.961 121 D HN 0.287 nan 8.370 nan 0.000 0.460 122 K N 0.711 121.108 120.400 -0.005 0.000 2.026 122 K HA -0.118 4.202 4.320 -0.001 0.000 0.208 122 K C 2.032 178.630 176.600 -0.004 0.000 1.048 122 K CA 1.372 57.656 56.287 -0.004 0.000 0.929 122 K CB -0.075 32.423 32.500 -0.002 0.000 0.713 122 K HN 0.025 nan 8.250 nan 0.000 0.439 123 A N 0.536 123.355 122.820 -0.002 0.000 1.908 123 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 123 A C 2.244 179.827 177.584 -0.002 0.000 1.181 123 A CA 1.794 53.831 52.037 -0.000 0.000 0.627 123 A CB -0.668 18.333 19.000 0.002 0.000 0.818 123 A HN 0.194 nan 8.150 nan 0.000 0.445 124 V N -0.333 119.578 119.914 -0.006 0.000 2.358 124 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 124 V C 2.751 178.836 176.094 -0.014 0.000 1.047 124 V CA 2.403 64.697 62.300 -0.011 0.000 1.035 124 V CB -1.213 30.600 31.823 -0.017 0.000 0.658 124 V HN 0.626 nan 8.190 nan 0.000 0.452 125 T N 0.663 115.208 114.554 -0.015 0.000 2.684 125 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 125 T C 2.067 176.761 174.700 -0.010 0.000 1.036 125 T CA 1.749 63.839 62.100 -0.016 0.000 1.148 125 T CB -0.493 68.366 68.868 -0.014 0.000 0.863 125 T HN 0.568 nan 8.240 nan 0.000 0.436 126 A N 1.404 124.220 122.820 -0.006 0.000 1.933 126 A HA 0.147 4.467 4.320 -0.001 0.000 0.218 126 A C 2.645 180.228 177.584 -0.001 0.000 1.175 126 A CA 1.861 53.897 52.037 -0.002 0.000 0.628 126 A CB -1.077 17.923 19.000 -0.001 0.000 0.814 126 A HN 0.523 nan 8.150 nan 0.000 0.444 127 A N -0.636 122.183 122.820 -0.001 0.000 1.898 127 A HA 0.033 4.352 4.320 -0.001 0.000 0.216 127 A C 2.217 179.801 177.584 0.001 0.000 1.181 127 A CA 1.662 53.700 52.037 0.002 0.000 0.620 127 A CB -0.897 18.105 19.000 0.003 0.000 0.819 127 A HN 0.372 nan 8.150 nan 0.000 0.442 128 V N 0.409 120.320 119.914 -0.006 0.000 2.343 128 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 128 V C 2.578 178.670 176.094 -0.004 0.000 1.051 128 V CA 2.165 64.460 62.300 -0.008 0.000 1.036 128 V CB -0.709 31.102 31.823 -0.019 0.000 0.654 128 V HN 0.506 nan 8.190 nan 0.000 0.451 129 E N -0.148 120.050 120.200 -0.003 0.000 2.110 129 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 129 E C 2.208 178.810 176.600 0.003 0.000 0.988 129 E CA 1.244 57.644 56.400 -0.001 0.000 0.804 129 E CB -0.214 29.485 29.700 -0.001 0.000 0.745 129 E HN 0.602 nan 8.360 nan 0.000 0.458 130 E N 0.216 120.419 120.200 0.005 0.000 2.150 130 E HA -0.092 4.257 4.350 -0.001 0.000 0.193 130 E C 1.834 178.441 176.600 0.011 0.000 0.985 130 E CA 0.242 56.647 56.400 0.009 0.000 0.814 130 E CB -0.078 29.628 29.700 0.010 0.000 0.752 130 E HN 0.043 nan 8.360 nan 0.000 0.466 131 L N 0.816 122.045 121.223 0.010 0.000 2.056 131 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 131 L C 1.942 178.819 176.870 0.011 0.000 1.078 131 L CA 1.709 56.556 54.840 0.012 0.000 0.749 131 L CB -0.852 41.213 42.059 0.010 0.000 0.901 131 L HN 0.133 nan 8.230 nan 0.000 0.433 132 K N -0.696 119.709 120.400 0.008 0.000 2.063 132 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 132 K C 2.019 178.624 176.600 0.009 0.000 1.048 132 K CA 1.536 57.827 56.287 0.007 0.000 0.928 132 K CB -0.152 32.351 32.500 0.004 0.000 0.713 132 K HN 0.308 nan 8.250 nan 0.000 0.442 133 A N 1.256 124.082 122.820 0.010 0.000 1.968 133 A HA -0.068 4.252 4.320 -0.001 0.000 0.217 133 A C 1.949 179.541 177.584 0.014 0.000 1.169 133 A CA 0.722 52.766 52.037 0.011 0.000 0.638 133 A CB -0.319 18.687 19.000 0.010 0.000 0.812 133 A HN 0.215 nan 8.150 nan 0.000 0.446 134 L N -0.217 121.016 121.223 0.017 0.000 2.376 134 L HA 0.050 4.389 4.340 -0.001 0.000 0.219 134 L C 1.049 177.931 176.870 0.021 0.000 1.133 134 L CA 0.790 55.643 54.840 0.022 0.000 0.816 134 L CB -0.606 41.468 42.059 0.025 0.000 0.933 134 L HN 0.366 nan 8.230 nan 0.000 0.449 135 S N -0.498 115.213 115.700 0.017 0.000 2.564 135 S HA 0.231 4.701 4.470 -0.001 0.000 0.278 135 S C -0.222 174.388 174.600 0.016 0.000 1.333 135 S CA -0.426 57.784 58.200 0.016 0.000 1.048 135 S CB 1.023 64.231 63.200 0.014 0.000 0.900 135 S HN 0.050 nan 8.310 nan 0.000 0.505 136 V N 7.722 127.646 119.914 0.016 0.000 2.417 136 V HA 0.419 4.538 4.120 -0.001 0.000 0.291 136 V C -2.120 173.982 176.094 0.012 0.000 1.024 136 V CA -1.834 60.475 62.300 0.014 0.000 0.861 136 V CB 1.404 33.237 31.823 0.016 0.000 0.985 136 V HN 0.756 nan 8.190 nan 0.000 0.436 137 P HA 0.253 nan 4.420 nan 0.000 0.274 137 P C -0.720 176.585 177.300 0.009 0.000 1.246 137 P CA -0.472 62.634 63.100 0.010 0.000 0.795 137 P CB 0.535 32.240 31.700 0.009 0.000 1.006 138 C N 1.764 121.069 119.300 0.009 0.000 2.621 138 C HA 0.262 4.721 4.460 -0.001 0.000 0.272 138 C C 1.635 176.630 174.990 0.007 0.000 1.119 138 C CA 0.195 59.218 59.018 0.008 0.000 1.593 138 C CB -1.155 26.590 27.740 0.009 0.000 1.749 138 C HN 0.558 nan 8.230 nan 0.000 0.420 139 S N 1.612 117.316 115.700 0.006 0.000 2.303 139 S HA -0.015 4.455 4.470 -0.001 0.000 0.207 139 S C 0.578 175.181 174.600 0.005 0.000 1.025 139 S CA 0.570 58.773 58.200 0.006 0.000 0.953 139 S CB -0.256 62.948 63.200 0.005 0.000 0.932 139 S HN 0.899 nan 8.310 nan 0.000 0.472 140 D N 1.459 121.862 120.400 0.005 0.000 2.371 140 D HA 0.206 4.845 4.640 -0.001 0.000 0.242 140 D C 0.939 177.242 176.300 0.004 0.000 1.218 140 D CA 0.164 54.166 54.000 0.004 0.000 0.945 140 D CB 0.306 41.108 40.800 0.004 0.000 1.137 140 D HN 0.234 nan 8.370 nan 0.000 0.464 141 S N -0.930 114.772 115.700 0.004 0.000 2.522 141 S HA -0.152 4.317 4.470 -0.001 0.000 0.227 141 S C 1.563 176.165 174.600 0.003 0.000 0.986 141 S CA 0.581 58.783 58.200 0.004 0.000 0.929 141 S CB -0.400 62.802 63.200 0.003 0.000 0.769 141 S HN 0.593 nan 8.310 nan 0.000 0.529 142 K N 2.018 122.420 120.400 0.003 0.000 2.025 142 K HA 0.062 4.381 4.320 -0.001 0.000 0.207 142 K C 2.265 178.867 176.600 0.003 0.000 1.049 142 K CA 1.179 57.468 56.287 0.003 0.000 0.933 142 K CB -0.668 31.834 32.500 0.003 0.000 0.714 142 K HN 0.366 nan 8.250 nan 0.000 0.438 143 A N 1.115 123.937 122.820 0.004 0.000 1.930 143 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 143 A C 2.103 179.690 177.584 0.005 0.000 1.175 143 A CA 1.386 53.426 52.037 0.005 0.000 0.627 143 A CB -0.578 18.426 19.000 0.006 0.000 0.815 143 A HN 0.373 nan 8.150 nan 0.000 0.443 144 I N -0.167 120.406 120.570 0.006 0.000 2.163 144 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 144 I C 2.975 179.096 176.117 0.006 0.000 1.085 144 I CA 1.141 62.445 61.300 0.007 0.000 1.347 144 I CB -0.294 37.710 38.000 0.007 0.000 1.044 144 I HN 0.363 nan 8.210 nan 0.000 0.408 145 A N -0.030 122.792 122.820 0.004 0.000 1.877 145 A HA -0.279 4.041 4.320 -0.001 0.000 0.216 145 A C 2.250 179.835 177.584 0.001 0.000 1.186 145 A CA 1.694 53.733 52.037 0.002 0.000 0.620 145 A CB -0.673 18.328 19.000 0.001 0.000 0.822 145 A HN 0.453 nan 8.150 nan 0.000 0.443 146 Q N -0.620 119.181 119.800 0.001 0.000 2.096 146 Q HA -0.130 4.209 4.340 -0.001 0.000 0.204 146 Q C 2.133 178.133 176.000 -0.000 0.000 0.982 146 Q CA 1.793 57.596 55.803 -0.000 0.000 0.850 146 Q CB -0.324 28.414 28.738 0.000 0.000 0.901 146 Q HN 0.505 nan 8.270 nan 0.000 0.422 147 V N -0.062 119.854 119.914 0.003 0.000 2.358 147 V HA -0.194 3.926 4.120 -0.001 0.000 0.246 147 V C 2.170 178.267 176.094 0.004 0.000 1.047 147 V CA 1.929 64.232 62.300 0.004 0.000 1.035 147 V CB -1.132 30.696 31.823 0.008 0.000 0.658 147 V HN 0.548 nan 8.190 nan 0.000 0.452 148 G N -0.320 108.483 108.800 0.005 0.000 2.418 148 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 148 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 148 G C 1.692 176.592 174.900 -0.001 0.000 1.158 148 G CA 1.592 46.694 45.100 0.004 0.000 0.771 148 G HN 0.469 nan 8.290 nan 0.000 0.545 149 T N 1.386 115.938 114.554 -0.003 0.000 2.684 149 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 149 T C 2.386 177.081 174.700 -0.009 0.000 1.036 149 T CA 1.164 63.260 62.100 -0.006 0.000 1.148 149 T CB -0.193 68.672 68.868 -0.006 0.000 0.863 149 T HN 0.241 nan 8.240 nan 0.000 0.436 150 I N 1.302 121.867 120.570 -0.008 0.000 2.226 150 I HA -0.138 4.031 4.170 -0.001 0.000 0.245 150 I C 2.167 178.278 176.117 -0.011 0.000 1.100 150 I CA 1.010 62.303 61.300 -0.011 0.000 1.374 150 I CB -0.245 37.749 38.000 -0.010 0.000 1.057 150 I HN 0.146 nan 8.210 nan 0.000 0.413 151 S N 0.469 116.165 115.700 -0.007 0.000 2.660 151 S HA 0.211 4.681 4.470 -0.001 0.000 0.223 151 S C 1.070 175.663 174.600 -0.012 0.000 0.963 151 S CA 0.620 58.816 58.200 -0.007 0.000 0.932 151 S CB 0.025 63.225 63.200 -0.000 0.000 0.775 151 S HN 0.480 nan 8.310 nan 0.000 0.531 152 A N 1.628 124.440 122.820 -0.013 0.000 2.610 152 A HA 0.426 4.745 4.320 -0.001 0.000 0.290 152 A C 0.110 177.685 177.584 -0.016 0.000 1.001 152 A CA -0.744 51.284 52.037 -0.016 0.000 1.004 152 A CB -0.091 18.901 19.000 -0.014 0.000 1.220 152 A HN 0.217 nan 8.150 nan 0.000 0.507 153 N N 0.296 118.985 118.700 -0.017 0.000 2.738 153 N HA -0.180 4.560 4.740 -0.001 0.000 0.249 153 N C 0.369 175.869 175.510 -0.017 0.000 1.047 153 N CA 1.271 54.310 53.050 -0.018 0.000 0.707 153 N CB -2.120 36.356 38.487 -0.018 0.000 0.937 153 N HN 0.778 nan 8.380 nan 0.000 0.545 154 S N -2.466 113.224 115.700 -0.016 0.000 3.476 154 S HA -0.227 4.242 4.470 -0.001 0.000 0.309 154 S C -0.094 174.498 174.600 -0.013 0.000 1.222 154 S CA 1.033 59.224 58.200 -0.015 0.000 0.922 154 S CB -0.763 62.426 63.200 -0.017 0.000 1.023 154 S HN 0.709 nan 8.310 nan 0.000 0.591 155 D N 1.396 121.788 120.400 -0.012 0.000 2.374 155 D HA 0.268 4.907 4.640 -0.001 0.000 0.240 155 D C 1.021 177.316 176.300 -0.009 0.000 1.229 155 D CA -0.122 53.872 54.000 -0.011 0.000 0.895 155 D CB 0.490 41.283 40.800 -0.011 0.000 1.046 155 D HN 0.469 nan 8.370 nan 0.000 0.498 156 E N 1.182 121.377 120.200 -0.008 0.000 2.268 156 E HA -0.106 4.244 4.350 -0.001 0.000 0.195 156 E C 1.437 178.034 176.600 -0.005 0.000 0.995 156 E CA 0.889 57.285 56.400 -0.006 0.000 0.836 156 E CB 0.328 30.025 29.700 -0.006 0.000 0.763 156 E HN 0.510 nan 8.360 nan 0.000 0.491 157 T N 0.401 114.951 114.554 -0.006 0.000 2.746 157 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 157 T C 2.086 176.783 174.700 -0.005 0.000 1.039 157 T CA 1.030 63.127 62.100 -0.005 0.000 1.142 157 T CB -0.180 68.685 68.868 -0.006 0.000 0.866 157 T HN 0.005 nan 8.240 nan 0.000 0.444 158 V N 1.566 121.476 119.914 -0.006 0.000 2.358 158 V HA -0.047 4.073 4.120 -0.001 0.000 0.246 158 V C 2.933 179.026 176.094 -0.003 0.000 1.047 158 V CA 1.882 64.178 62.300 -0.005 0.000 1.035 158 V CB -1.445 30.373 31.823 -0.008 0.000 0.658 158 V HN 0.586 nan 8.190 nan 0.000 0.452 159 G N -0.379 108.420 108.800 -0.003 0.000 2.418 159 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.217 159 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.217 159 G C 1.648 176.548 174.900 0.000 0.000 1.158 159 G CA 1.129 46.228 45.100 -0.001 0.000 0.771 159 G HN 0.479 nan 8.290 nan 0.000 0.545 160 K N -0.169 120.230 120.400 -0.001 0.000 2.032 160 K HA 0.023 4.343 4.320 -0.001 0.000 0.209 160 K C 2.545 179.145 176.600 0.000 0.000 1.048 160 K CA 0.927 57.214 56.287 -0.001 0.000 0.927 160 K CB -0.280 32.219 32.500 -0.002 0.000 0.712 160 K HN 0.326 nan 8.250 nan 0.000 0.441 161 L N 0.765 121.988 121.223 -0.000 0.000 1.989 161 L HA -0.224 4.116 4.340 -0.001 0.000 0.211 161 L C 2.386 179.257 176.870 0.003 0.000 1.071 161 L CA 1.355 56.196 54.840 0.000 0.000 0.749 161 L CB -0.303 41.755 42.059 -0.001 0.000 0.890 161 L HN 0.251 nan 8.230 nan 0.000 0.431 162 I N -0.597 119.975 120.570 0.004 0.000 2.226 162 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 162 I C 2.741 178.862 176.117 0.007 0.000 1.100 162 I CA 1.182 62.487 61.300 0.008 0.000 1.374 162 I CB -0.487 37.519 38.000 0.010 0.000 1.057 162 I HN 0.223 nan 8.210 nan 0.000 0.413 163 A N 0.430 123.253 122.820 0.005 0.000 1.902 163 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 163 A C 2.214 179.800 177.584 0.004 0.000 1.181 163 A CA 1.824 53.864 52.037 0.004 0.000 0.623 163 A CB -0.592 18.410 19.000 0.003 0.000 0.818 163 A HN 0.453 nan 8.150 nan 0.000 0.443 164 E N -0.410 119.792 120.200 0.003 0.000 2.106 164 E HA -0.039 4.310 4.350 -0.001 0.000 0.192 164 E C 2.291 178.892 176.600 0.003 0.000 0.984 164 E CA 0.809 57.211 56.400 0.002 0.000 0.806 164 E CB -0.244 29.456 29.700 0.001 0.000 0.750 164 E HN 0.629 nan 8.360 nan 0.000 0.458 165 A N 1.090 123.912 122.820 0.004 0.000 1.873 165 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 165 A C 2.151 179.738 177.584 0.005 0.000 1.186 165 A CA 1.204 53.244 52.037 0.004 0.000 0.616 165 A CB -0.381 18.623 19.000 0.006 0.000 0.823 165 A HN 0.128 nan 8.150 nan 0.000 0.442 166 M N -0.960 118.644 119.600 0.006 0.000 2.296 166 M HA -0.147 4.333 4.480 -0.001 0.000 0.265 166 M C 1.627 177.929 176.300 0.004 0.000 1.064 166 M CA 1.721 57.024 55.300 0.005 0.000 1.109 166 M CB -0.534 32.070 32.600 0.007 0.000 1.396 166 M HN 0.430 nan 8.290 nan 0.000 0.430 167 D N 0.558 120.960 120.400 0.003 0.000 2.219 167 D HA -0.097 4.543 4.640 -0.001 0.000 0.205 167 D C 1.905 178.206 176.300 0.002 0.000 0.970 167 D CA 1.074 55.075 54.000 0.002 0.000 0.851 167 D CB 0.246 41.047 40.800 0.002 0.000 0.943 167 D HN 0.196 nan 8.370 nan 0.000 0.488 168 K N -0.644 119.757 120.400 0.002 0.000 2.137 168 K HA -0.007 4.312 4.320 -0.001 0.000 0.202 168 K C 1.619 178.220 176.600 0.001 0.000 1.052 168 K CA 1.089 57.377 56.287 0.001 0.000 0.961 168 K CB 0.552 33.052 32.500 0.001 0.000 0.741 168 K HN 0.181 nan 8.250 nan 0.000 0.452 169 V N -3.511 116.404 119.914 0.002 0.000 3.477 169 V HA 0.391 4.511 4.120 -0.001 0.000 0.297 169 V C 0.520 176.615 176.094 0.002 0.000 1.433 169 V CA 0.050 62.351 62.300 0.002 0.000 1.052 169 V CB -0.044 31.780 31.823 0.002 0.000 0.895 169 V HN 0.342 nan 8.190 nan 0.000 0.438 170 G N 1.585 110.386 108.800 0.002 0.000 2.728 170 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.294 170 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.294 170 G C 0.239 175.140 174.900 0.002 0.000 1.342 170 G CA 0.054 45.155 45.100 0.002 0.000 0.866 170 G HN 0.213 nan 8.290 nan 0.000 0.534 171 K N 0.293 120.694 120.400 0.002 0.000 2.057 171 K HA -0.022 4.297 4.320 -0.001 0.000 0.206 171 K C 2.217 178.817 176.600 0.000 0.000 1.050 171 K CA 1.921 58.209 56.287 0.002 0.000 0.935 171 K CB -0.225 32.276 32.500 0.002 0.000 0.715 171 K HN 0.651 nan 8.250 nan 0.000 0.439 172 E N 0.909 121.109 120.200 -0.000 0.000 2.208 172 E HA -0.032 4.318 4.350 -0.001 0.000 0.193 172 E C 1.209 177.808 176.600 -0.002 0.000 0.988 172 E CA 0.243 56.643 56.400 -0.001 0.000 0.828 172 E CB -0.383 29.316 29.700 -0.001 0.000 0.763 172 E HN 0.248 nan 8.360 nan 0.000 0.478 173 G N 1.554 110.354 108.800 -0.000 0.000 2.647 173 G HA2 0.140 4.099 3.960 -0.001 0.000 0.234 173 G HA3 0.140 4.099 3.960 -0.001 0.000 0.234 173 G C 0.104 175.004 174.900 -0.001 0.000 1.252 173 G CA -0.404 44.697 45.100 0.000 0.000 0.846 173 G HN -0.025 nan 8.290 nan 0.000 0.589 174 V N 1.964 121.878 119.914 -0.001 0.000 2.432 174 V HA 0.377 4.497 4.120 -0.001 0.000 0.275 174 V C 0.358 176.453 176.094 0.001 0.000 1.043 174 V CA -0.122 62.176 62.300 -0.003 0.000 0.925 174 V CB 0.858 32.678 31.823 -0.005 0.000 0.985 174 V HN 0.489 nan 8.190 nan 0.000 0.466 175 I N 3.770 124.343 120.570 0.004 0.000 2.465 175 I HA 0.520 4.689 4.170 -0.001 0.000 0.291 175 I C 0.027 176.153 176.117 0.016 0.000 1.014 175 I CA -0.159 61.148 61.300 0.010 0.000 1.093 175 I CB 2.331 40.341 38.000 0.016 0.000 1.267 175 I HN 0.494 nan 8.210 nan 0.000 0.431 176 T N 4.885 119.445 114.554 0.011 0.000 2.887 176 T HA 0.603 4.953 4.350 -0.001 0.000 0.288 176 T C -0.577 174.128 174.700 0.009 0.000 1.021 176 T CA -0.503 61.604 62.100 0.011 0.000 1.000 176 T CB 2.214 71.083 68.868 0.001 0.000 1.034 176 T HN 0.202 nan 8.240 nan 0.000 0.467 177 V N 2.920 122.839 119.914 0.009 0.000 2.495 177 V HA 0.555 4.675 4.120 -0.001 0.000 0.298 177 V C -0.075 176.018 176.094 -0.003 0.000 1.031 177 V CA -0.749 61.552 62.300 0.002 0.000 0.871 177 V CB 1.687 33.508 31.823 -0.002 0.000 0.988 177 V HN 0.843 nan 8.190 nan 0.000 0.432 178 E N 1.430 121.628 120.200 -0.005 0.000 2.359 178 E HA 0.405 4.754 4.350 -0.001 0.000 0.266 178 E C -1.439 175.156 176.600 -0.008 0.000 0.920 178 E CA -1.052 55.344 56.400 -0.007 0.000 0.788 178 E CB 1.937 31.633 29.700 -0.007 0.000 1.279 178 E HN 0.649 nan 8.360 nan 0.000 0.438 179 D N 0.658 121.053 120.400 -0.008 0.000 2.443 179 D HA 0.175 4.815 4.640 -0.001 0.000 0.239 179 D C 0.118 176.414 176.300 -0.007 0.000 1.136 179 D CA 0.465 54.460 54.000 -0.008 0.000 0.879 179 D CB 0.767 41.563 40.800 -0.007 0.000 1.195 179 D HN 0.462 nan 8.370 nan 0.000 0.443 180 G N -0.328 108.468 108.800 -0.007 0.000 2.562 180 G HA2 0.362 4.321 3.960 -0.001 0.000 0.275 180 G HA3 0.362 4.321 3.960 -0.001 0.000 0.275 180 G C 0.859 175.755 174.900 -0.006 0.000 1.196 180 G CA -0.205 44.891 45.100 -0.006 0.000 0.908 180 G HN 0.483 nan 8.290 nan 0.000 0.524 181 T N -3.255 111.296 114.554 -0.006 0.000 3.001 181 T HA 0.512 4.861 4.350 -0.001 0.000 0.251 181 T C 1.009 175.706 174.700 -0.005 0.000 1.040 181 T CA 0.791 62.888 62.100 -0.005 0.000 0.985 181 T CB 0.475 69.340 68.868 -0.006 0.000 1.011 181 T HN 1.164 nan 8.240 nan 0.000 0.509 182 G N 0.898 109.695 108.800 -0.005 0.000 2.726 182 G HA2 0.449 4.408 3.960 -0.001 0.000 0.198 182 G HA3 0.449 4.408 3.960 -0.001 0.000 0.198 182 G C -0.148 174.750 174.900 -0.004 0.000 1.195 182 G CA -0.102 44.995 45.100 -0.004 0.000 0.951 182 G HN 0.140 nan 8.290 nan 0.000 0.532 183 L N 0.445 121.666 121.223 -0.004 0.000 2.095 183 L HA 0.324 4.663 4.340 -0.001 0.000 0.204 183 L C 1.436 178.304 176.870 -0.004 0.000 1.080 183 L CA 1.732 56.570 54.840 -0.004 0.000 0.759 183 L CB -0.560 41.496 42.059 -0.004 0.000 0.914 183 L HN 0.664 nan 8.230 nan 0.000 0.439 184 Q N -0.112 119.686 119.800 -0.004 0.000 2.226 184 Q HA 0.272 4.612 4.340 -0.001 0.000 0.256 184 Q C -0.998 175.000 176.000 -0.004 0.000 0.962 184 Q CA -0.936 54.865 55.803 -0.004 0.000 0.887 184 Q CB 1.024 29.760 28.738 -0.004 0.000 1.282 184 Q HN 0.154 nan 8.270 nan 0.000 0.449 185 D N 1.393 121.790 120.400 -0.004 0.000 2.361 185 D HA 0.134 4.773 4.640 -0.001 0.000 0.239 185 D C -0.461 175.836 176.300 -0.004 0.000 1.200 185 D CA 0.330 54.327 54.000 -0.004 0.000 0.915 185 D CB 0.819 41.617 40.800 -0.004 0.000 1.170 185 D HN 0.474 nan 8.370 nan 0.000 0.444 186 E N -0.352 119.845 120.200 -0.004 0.000 2.340 186 E HA 0.523 4.873 4.350 -0.001 0.000 0.273 186 E C -1.217 175.382 176.600 -0.003 0.000 0.891 186 E CA -0.877 55.521 56.400 -0.003 0.000 0.757 186 E CB 2.522 32.219 29.700 -0.004 0.000 1.231 186 E HN 0.069 nan 8.360 nan 0.000 0.439 187 L N 2.418 123.639 121.223 -0.002 0.000 2.439 187 L HA 0.505 4.845 4.340 -0.001 0.000 0.270 187 L C -1.835 175.034 176.870 -0.002 0.000 0.972 187 L CA -0.158 54.681 54.840 -0.002 0.000 0.836 187 L CB 1.521 43.579 42.059 -0.001 0.000 1.255 187 L HN 0.421 nan 8.230 nan 0.000 0.404 188 D N 3.628 124.027 120.400 -0.002 0.000 2.819 188 D HA 0.483 5.122 4.640 -0.001 0.000 0.232 188 D C -1.179 175.120 176.300 -0.002 0.000 1.160 188 D CA -0.188 53.810 54.000 -0.002 0.000 0.858 188 D CB 3.085 43.883 40.800 -0.003 0.000 1.610 188 D HN 0.254 nan 8.370 nan 0.000 0.481 189 V N 1.872 121.786 119.914 -0.001 0.000 2.370 189 V HA 0.432 4.551 4.120 -0.001 0.000 0.279 189 V C 0.470 176.563 176.094 -0.001 0.000 1.029 189 V CA -0.635 61.665 62.300 -0.001 0.000 0.870 189 V CB 1.225 33.048 31.823 0.000 0.000 0.984 189 V HN 0.412 nan 8.190 nan 0.000 0.451 190 V N 1.563 121.476 119.914 -0.001 0.000 3.046 190 V HA 0.680 4.799 4.120 -0.001 0.000 0.316 190 V C -0.138 175.956 176.094 0.001 0.000 1.104 190 V CA -1.073 61.226 62.300 -0.001 0.000 1.006 190 V CB 2.075 33.895 31.823 -0.004 0.000 1.058 190 V HN 0.688 nan 8.190 nan 0.000 0.440 191 E N 1.729 121.930 120.200 0.001 0.000 2.406 191 E HA 0.509 4.858 4.350 -0.001 0.000 0.258 191 E C 0.271 176.876 176.600 0.008 0.000 1.043 191 E CA 0.891 57.293 56.400 0.005 0.000 0.929 191 E CB 0.657 30.360 29.700 0.004 0.000 0.969 191 E HN 1.172 nan 8.360 nan 0.000 0.462 192 G N 1.567 110.375 108.800 0.013 0.000 2.600 192 G HA2 0.615 4.575 3.960 -0.001 0.000 0.293 192 G HA3 0.615 4.575 3.960 -0.001 0.000 0.293 192 G C -1.287 173.633 174.900 0.032 0.000 1.408 192 G CA -0.711 44.401 45.100 0.020 0.000 0.782 192 G HN 0.399 nan 8.290 nan 0.000 0.482 193 M N -0.041 119.586 119.600 0.044 0.000 2.490 193 M HA 0.554 5.034 4.480 -0.001 0.000 0.286 193 M C -2.257 174.080 176.300 0.063 0.000 1.185 193 M CA -0.622 54.723 55.300 0.075 0.000 0.912 193 M CB 2.460 35.134 32.600 0.124 0.000 1.744 193 M HN 0.655 nan 8.290 nan 0.000 0.494 194 Q N 3.835 123.672 119.800 0.062 0.000 2.323 194 Q HA 0.646 4.985 4.340 -0.001 0.000 0.271 194 Q C -2.151 173.890 176.000 0.068 0.000 1.048 194 Q CA -0.630 55.156 55.803 -0.027 0.000 0.792 194 Q CB 1.936 30.642 28.738 -0.054 0.000 1.280 194 Q HN 0.615 nan 8.270 nan 0.000 0.441 195 F N 0.135 120.083 119.950 -0.002 0.000 2.593 195 F HA 0.545 5.072 4.527 -0.001 0.000 0.320 195 F C -0.359 175.440 175.800 -0.002 0.000 1.060 195 F CA -1.184 56.816 58.000 -0.000 0.000 0.940 195 F CB 1.046 40.048 39.000 0.004 0.000 1.268 195 F HN 0.290 nan 8.300 nan 0.000 0.475 196 D N 2.366 122.890 120.400 0.206 0.000 2.994 196 D HA 0.171 4.810 4.640 -0.001 0.000 0.240 196 D C -0.276 176.096 176.300 0.121 0.000 1.195 196 D CA 0.228 54.283 54.000 0.092 0.000 0.957 196 D CB -0.233 40.612 40.800 0.075 0.000 1.105 196 D HN 0.293 nan 8.370 nan 0.000 0.477 197 R N 0.240 120.818 120.500 0.131 0.000 2.502 197 R HA 0.558 4.897 4.340 -0.001 0.000 0.300 197 R C 0.483 176.782 176.300 -0.001 0.000 0.984 197 R CA -0.662 55.514 56.100 0.126 0.000 0.882 197 R CB 2.173 32.659 30.300 0.310 0.000 1.180 197 R HN 0.154 nan 8.270 nan 0.000 0.444 198 G N 1.361 110.128 108.800 -0.054 0.000 2.531 198 G HA2 0.338 4.297 3.960 -0.001 0.000 0.281 198 G HA3 0.338 4.297 3.960 -0.001 0.000 0.281 198 G C -0.451 174.418 174.900 -0.051 0.000 1.382 198 G CA -0.454 44.562 45.100 -0.140 0.000 1.045 198 G HN 0.481 nan 8.290 nan 0.000 0.533 199 Y N -1.586 118.757 120.300 0.071 0.000 2.385 199 Y HA 0.430 4.979 4.550 -0.001 0.000 0.346 199 Y C 1.041 177.037 175.900 0.162 0.000 1.270 199 Y CA -0.844 57.343 58.100 0.145 0.000 1.472 199 Y CB 0.463 39.054 38.460 0.219 0.000 1.354 199 Y HN 0.154 nan 8.280 nan 0.000 0.611 200 L N 0.754 122.296 121.223 0.532 0.000 2.590 200 L HA 0.252 4.592 4.340 -0.001 0.000 0.227 200 L C 0.490 177.579 176.870 0.366 0.000 1.099 200 L CA 0.455 55.519 54.840 0.373 0.000 0.872 200 L CB 0.309 42.545 42.059 0.296 0.000 1.088 200 L HN 0.723 nan 8.230 nan 0.000 0.479 201 S N -1.273 114.668 115.700 0.402 0.000 2.603 201 S HA 0.370 4.839 4.470 -0.001 0.000 0.274 201 S C -2.239 172.149 174.600 -0.354 0.000 1.168 201 S CA -0.961 57.242 58.200 0.005 0.000 0.963 201 S CB 1.652 64.711 63.200 -0.235 0.000 1.078 201 S HN -0.239 nan 8.310 nan 0.000 0.477 202 P HA -0.050 nan 4.420 nan 0.000 0.221 202 P C -0.031 176.797 177.300 -0.788 0.000 1.145 202 P CA 1.063 63.689 63.100 -0.790 0.000 0.795 202 P CB -0.116 31.260 31.700 -0.540 0.000 0.775 203 Y N -2.352 117.624 120.300 -0.540 0.000 2.581 203 Y HA 0.121 4.670 4.550 -0.001 0.000 0.346 203 Y C 1.077 176.696 175.900 -0.469 0.000 1.147 203 Y CA 0.140 57.973 58.100 -0.445 0.000 1.353 203 Y CB -1.132 37.104 38.460 -0.374 0.000 1.187 203 Y HN -0.056 nan 8.280 nan 0.000 0.505 204 F N -1.210 118.650 119.950 -0.151 0.000 2.727 204 F HA 0.253 4.779 4.527 -0.001 0.000 0.302 204 F C 0.856 176.586 175.800 -0.117 0.000 1.107 204 F CA -1.160 56.778 58.000 -0.104 0.000 1.277 204 F CB -0.072 38.872 39.000 -0.094 0.000 1.079 204 F HN -0.124 nan 8.300 nan 0.000 0.594 205 I N 2.743 123.282 120.570 -0.051 0.000 2.662 205 I HA -0.123 4.047 4.170 -0.001 0.000 0.285 205 I C 0.458 176.575 176.117 0.001 0.000 1.161 205 I CA 0.410 61.681 61.300 -0.048 0.000 1.415 205 I CB 0.278 38.204 38.000 -0.124 0.000 1.385 205 I HN 0.186 nan 8.210 nan 0.000 0.552 206 N N 5.026 123.739 118.700 0.022 0.000 2.177 206 N HA 0.080 4.820 4.740 -0.001 0.000 0.218 206 N C -0.054 175.466 175.510 0.016 0.000 1.182 206 N CA -0.178 52.885 53.050 0.022 0.000 0.882 206 N CB 0.453 38.958 38.487 0.030 0.000 1.052 206 N HN 0.296 nan 8.380 nan 0.000 0.519 207 K N 1.207 121.616 120.400 0.015 0.000 2.606 207 K HA 0.304 4.624 4.320 -0.001 0.000 0.196 207 K C -2.052 174.553 176.600 0.009 0.000 1.048 207 K CA -1.784 54.511 56.287 0.013 0.000 1.017 207 K CB 2.025 34.535 32.500 0.017 0.000 1.413 207 K HN -0.067 nan 8.250 nan 0.000 0.568 208 P HA -0.230 nan 4.420 nan 0.000 0.214 208 P C 0.745 178.045 177.300 0.001 0.000 1.163 208 P CA 1.555 64.655 63.100 -0.000 0.000 0.889 208 P CB 0.391 32.094 31.700 0.005 0.000 0.790 209 E N -1.095 119.104 120.200 -0.000 0.000 2.204 209 E HA -0.126 4.224 4.350 -0.001 0.000 0.195 209 E C 1.547 178.142 176.600 -0.009 0.000 0.990 209 E CA 1.654 58.050 56.400 -0.006 0.000 0.821 209 E CB -1.965 27.728 29.700 -0.011 0.000 0.750 209 E HN 0.246 nan 8.360 nan 0.000 0.477 210 T N -0.658 113.895 114.554 -0.001 0.000 3.035 210 T HA 0.225 4.575 4.350 -0.001 0.000 0.259 210 T C 1.408 176.133 174.700 0.043 0.000 1.078 210 T CA 0.543 62.647 62.100 0.008 0.000 1.132 210 T CB -0.111 68.764 68.868 0.011 0.000 0.900 210 T HN 0.461 nan 8.240 nan 0.000 0.480 211 G N 1.601 110.425 108.800 0.039 0.000 2.225 211 G HA2 0.068 4.027 3.960 -0.001 0.000 0.264 211 G HA3 0.068 4.027 3.960 -0.001 0.000 0.264 211 G C 0.022 174.991 174.900 0.114 0.000 1.060 211 G CA 0.042 45.179 45.100 0.062 0.000 0.833 211 G HN 0.953 nan 8.290 nan 0.000 0.498 212 A N -1.473 121.401 122.820 0.090 0.000 2.566 212 A HA 0.907 5.226 4.320 -0.001 0.000 0.292 212 A C -0.347 177.287 177.584 0.083 0.000 1.112 212 A CA -0.215 51.894 52.037 0.120 0.000 0.707 212 A CB 1.865 20.924 19.000 0.097 0.000 1.302 212 A HN 1.313 nan 8.150 nan 0.000 0.409 213 V N 1.230 121.205 119.914 0.103 0.000 2.407 213 V HA 0.470 4.590 4.120 -0.001 0.000 0.278 213 V C 0.125 176.244 176.094 0.042 0.000 1.037 213 V CA -0.324 62.019 62.300 0.071 0.000 0.900 213 V CB 1.122 33.000 31.823 0.092 0.000 0.983 213 V HN 0.866 nan 8.190 nan 0.000 0.459 214 E N 4.646 124.862 120.200 0.027 0.000 2.187 214 E HA 0.690 5.039 4.350 -0.001 0.000 0.268 214 E C -1.728 174.876 176.600 0.006 0.000 0.896 214 E CA -0.669 55.739 56.400 0.013 0.000 0.766 214 E CB 1.772 31.478 29.700 0.010 0.000 1.142 214 E HN 0.625 nan 8.360 nan 0.000 0.408 215 L N 4.077 125.298 121.223 -0.004 0.000 2.409 215 L HA 0.392 4.732 4.340 -0.001 0.000 0.272 215 L C -0.504 176.355 176.870 -0.019 0.000 0.980 215 L CA -0.820 54.015 54.840 -0.009 0.000 0.826 215 L CB 1.882 43.933 42.059 -0.012 0.000 1.268 215 L HN 0.526 nan 8.230 nan 0.000 0.407 216 E N 1.086 121.274 120.200 -0.021 0.000 2.175 216 E HA 0.437 4.787 4.350 -0.001 0.000 0.278 216 E C -0.333 176.235 176.600 -0.054 0.000 0.969 216 E CA -0.857 55.524 56.400 -0.032 0.000 0.796 216 E CB 1.615 31.301 29.700 -0.024 0.000 1.104 216 E HN 0.495 nan 8.360 nan 0.000 0.395 217 S N 1.921 117.575 115.700 -0.078 0.000 3.559 217 S HA -0.118 4.352 4.470 -0.001 0.000 0.369 217 S C -2.133 172.346 174.600 -0.203 0.000 0.987 217 S CA 0.703 58.822 58.200 -0.135 0.000 1.187 217 S CB -1.498 61.626 63.200 -0.127 0.000 0.914 217 S HN 0.641 nan 8.310 nan 0.000 0.480 218 P HA 0.543 nan 4.420 nan 0.000 0.282 218 P C -0.081 177.091 177.300 -0.213 0.000 1.259 218 P CA -0.673 62.351 63.100 -0.126 0.000 0.826 218 P CB 0.499 32.178 31.700 -0.035 0.000 1.064 219 F N 0.619 120.568 119.950 -0.003 0.000 2.375 219 F HA 0.399 4.925 4.527 -0.001 0.000 0.333 219 F C 0.894 176.694 175.800 0.001 0.000 1.104 219 F CA -0.066 57.934 58.000 -0.000 0.000 1.149 219 F CB 0.516 39.514 39.000 -0.002 0.000 1.190 219 F HN 0.039 nan 8.300 nan 0.000 0.533 220 I N 3.855 124.544 120.570 0.200 0.000 2.436 220 I HA 0.291 4.461 4.170 -0.001 0.000 0.289 220 I C -1.235 174.943 176.117 0.102 0.000 1.010 220 I CA -0.859 60.511 61.300 0.118 0.000 1.098 220 I CB 1.881 39.933 38.000 0.087 0.000 1.266 220 I HN 0.302 nan 8.210 nan 0.000 0.434 221 L N 7.739 129.005 121.223 0.072 0.000 2.272 221 L HA 0.486 4.826 4.340 -0.001 0.000 0.289 221 L C -1.114 175.778 176.870 0.035 0.000 1.032 221 L CA -0.296 54.572 54.840 0.046 0.000 0.810 221 L CB 0.886 42.963 42.059 0.030 0.000 1.205 221 L HN 0.365 nan 8.230 nan 0.000 0.422 222 L N 6.154 127.392 121.223 0.025 0.000 2.283 222 L HA 0.623 4.963 4.340 -0.001 0.000 0.281 222 L C 0.090 176.962 176.870 0.003 0.000 1.033 222 L CA -0.440 54.406 54.840 0.009 0.000 0.848 222 L CB 0.371 42.431 42.059 0.002 0.000 1.226 222 L HN 0.776 nan 8.230 nan 0.000 0.429 223 A N 1.968 124.790 122.820 0.003 0.000 2.287 223 A HA 0.412 4.732 4.320 -0.001 0.000 0.317 223 A C 0.825 178.409 177.584 0.000 0.000 1.220 223 A CA -0.484 51.555 52.037 0.004 0.000 0.835 223 A CB 0.786 19.792 19.000 0.010 0.000 1.180 223 A HN 0.693 nan 8.150 nan 0.000 0.500 224 D N 2.170 122.569 120.400 -0.001 0.000 2.144 224 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 224 D C 0.963 177.267 176.300 0.006 0.000 0.978 224 D CA 1.586 55.585 54.000 -0.002 0.000 0.833 224 D CB 0.100 40.898 40.800 -0.003 0.000 0.961 224 D HN 0.714 nan 8.370 nan 0.000 0.470 225 K N -0.165 120.240 120.400 0.009 0.000 2.117 225 K HA 0.266 4.586 4.320 -0.001 0.000 0.240 225 K C -0.044 176.568 176.600 0.019 0.000 1.031 225 K CA -0.727 55.568 56.287 0.013 0.000 0.909 225 K CB 1.018 33.525 32.500 0.012 0.000 1.097 225 K HN -0.229 nan 8.250 nan 0.000 0.492 226 K N 0.456 120.869 120.400 0.022 0.000 2.138 226 K HA 0.277 4.596 4.320 -0.001 0.000 0.251 226 K C -0.358 176.258 176.600 0.026 0.000 1.015 226 K CA -0.430 55.873 56.287 0.027 0.000 0.917 226 K CB 0.563 33.080 32.500 0.028 0.000 1.021 226 K HN 0.455 nan 8.250 nan 0.000 0.485 227 I N 1.548 122.137 120.570 0.032 0.000 2.390 227 I HA 0.084 4.254 4.170 -0.001 0.000 0.283 227 I C 0.242 176.379 176.117 0.034 0.000 1.016 227 I CA -0.044 61.274 61.300 0.031 0.000 1.151 227 I CB 1.768 39.788 38.000 0.034 0.000 1.293 227 I HN 0.587 nan 8.210 nan 0.000 0.458 228 S N 3.120 118.836 115.700 0.027 0.000 2.641 228 S HA 0.188 4.657 4.470 -0.001 0.000 0.239 228 S C 0.691 175.305 174.600 0.023 0.000 1.081 228 S CA -0.047 58.168 58.200 0.026 0.000 0.904 228 S CB 0.193 63.406 63.200 0.021 0.000 0.803 228 S HN 0.600 nan 8.310 nan 0.000 0.510 229 N N 1.316 120.028 118.700 0.019 0.000 2.434 229 N HA 0.298 5.038 4.740 -0.001 0.000 0.272 229 N C 0.035 175.555 175.510 0.016 0.000 1.040 229 N CA -0.116 52.943 53.050 0.016 0.000 0.956 229 N CB 1.489 39.982 38.487 0.011 0.000 1.108 229 N HN 0.042 nan 8.380 nan 0.000 0.481 230 I N 3.445 124.025 120.570 0.016 0.000 2.928 230 I HA -0.101 4.069 4.170 -0.001 0.000 0.266 230 I C 2.402 178.524 176.117 0.009 0.000 1.234 230 I CA 0.730 62.040 61.300 0.016 0.000 1.483 230 I CB -0.099 37.912 38.000 0.019 0.000 1.097 230 I HN 0.521 nan 8.210 nan 0.000 0.455 231 R N -0.053 120.451 120.500 0.007 0.000 2.237 231 R HA -0.074 4.266 4.340 -0.001 0.000 0.219 231 R C 1.538 177.838 176.300 0.001 0.000 1.080 231 R CA 1.252 57.354 56.100 0.003 0.000 0.995 231 R CB -0.730 29.571 30.300 0.002 0.000 0.875 231 R HN 0.388 nan 8.270 nan 0.000 0.462 232 E N 0.377 120.579 120.200 0.003 0.000 2.285 232 E HA -0.003 4.347 4.350 -0.001 0.000 0.194 232 E C 1.633 178.232 176.600 -0.002 0.000 0.997 232 E CA 0.611 57.011 56.400 0.001 0.000 0.845 232 E CB 0.139 29.841 29.700 0.004 0.000 0.782 232 E HN 0.357 nan 8.360 nan 0.000 0.491 233 M N 0.164 119.764 119.600 -0.000 0.000 2.447 233 M HA 0.016 4.495 4.480 -0.001 0.000 0.264 233 M C 2.115 178.409 176.300 -0.010 0.000 1.095 233 M CA 0.652 55.950 55.300 -0.003 0.000 1.125 233 M CB -0.475 32.128 32.600 0.004 0.000 1.389 233 M HN 0.145 nan 8.290 nan 0.000 0.459 234 L N 0.511 121.729 121.223 -0.008 0.000 1.990 234 L HA -0.221 4.118 4.340 -0.001 0.000 0.213 234 L C -0.335 176.523 176.870 -0.020 0.000 1.072 234 L CA 1.860 56.693 54.840 -0.012 0.000 0.755 234 L CB -2.344 39.710 42.059 -0.008 0.000 0.889 234 L HN 0.188 nan 8.230 nan 0.000 0.432 235 P HA -0.092 nan 4.420 nan 0.000 0.220 235 P C 1.817 179.091 177.300 -0.044 0.000 1.148 235 P CA 0.899 63.981 63.100 -0.030 0.000 0.803 235 P CB 0.069 31.754 31.700 -0.026 0.000 0.782 236 V N -0.442 119.445 119.914 -0.044 0.000 2.323 236 V HA -0.194 3.926 4.120 -0.001 0.000 0.244 236 V C 2.408 178.456 176.094 -0.077 0.000 1.041 236 V CA 1.542 63.804 62.300 -0.063 0.000 1.025 236 V CB -1.335 30.460 31.823 -0.046 0.000 0.656 236 V HN 0.032 nan 8.190 nan 0.000 0.451 237 L N -0.266 120.927 121.223 -0.050 0.000 2.131 237 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 237 L C 2.698 179.538 176.870 -0.050 0.000 1.092 237 L CA 1.289 56.103 54.840 -0.043 0.000 0.759 237 L CB -0.631 41.416 42.059 -0.020 0.000 0.903 237 L HN 0.343 nan 8.230 nan 0.000 0.435 238 E N 0.248 120.419 120.200 -0.049 0.000 2.077 238 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 238 E C 2.309 178.870 176.600 -0.065 0.000 0.989 238 E CA 1.446 57.819 56.400 -0.046 0.000 0.800 238 E CB -0.090 29.587 29.700 -0.038 0.000 0.746 238 E HN 0.521 nan 8.360 nan 0.000 0.452 239 A N 0.835 123.596 122.820 -0.099 0.000 1.968 239 A HA -0.060 4.259 4.320 -0.001 0.000 0.217 239 A C 2.530 179.996 177.584 -0.196 0.000 1.169 239 A CA 0.769 52.721 52.037 -0.142 0.000 0.638 239 A CB -0.350 18.543 19.000 -0.178 0.000 0.812 239 A HN 0.098 nan 8.150 nan 0.000 0.446 240 V N -0.200 119.594 119.914 -0.200 0.000 2.358 240 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 240 V C 3.016 179.087 176.094 -0.040 0.000 1.047 240 V CA 1.806 64.002 62.300 -0.172 0.000 1.035 240 V CB -0.974 30.784 31.823 -0.108 0.000 0.658 240 V HN 0.582 nan 8.190 nan 0.000 0.452 241 A N -0.620 122.180 122.820 -0.033 0.000 1.969 241 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 241 A C 2.309 179.892 177.584 -0.003 0.000 1.169 241 A CA 1.951 53.985 52.037 -0.006 0.000 0.635 241 A CB -0.392 18.602 19.000 -0.009 0.000 0.810 241 A HN 0.501 nan 8.150 nan 0.000 0.445 242 K N -0.581 119.807 120.400 -0.021 0.000 2.155 242 K HA 0.066 4.385 4.320 -0.001 0.000 0.203 242 K C 2.062 178.668 176.600 0.009 0.000 1.052 242 K CA 0.882 57.162 56.287 -0.012 0.000 0.948 242 K CB -0.187 32.296 32.500 -0.028 0.000 0.728 242 K HN 0.396 nan 8.250 nan 0.000 0.448 243 A N 0.318 123.148 122.820 0.017 0.000 1.898 243 A HA 0.136 4.455 4.320 -0.001 0.000 0.214 243 A C 1.238 178.891 177.584 0.116 0.000 1.183 243 A CA 1.130 53.224 52.037 0.094 0.000 0.622 243 A CB -0.463 18.645 19.000 0.181 0.000 0.824 243 A HN 0.438 nan 8.150 nan 0.000 0.444 244 G N -0.693 108.168 108.800 0.102 0.000 2.303 244 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.260 244 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.260 244 G C -0.339 174.625 174.900 0.108 0.000 1.106 244 G CA 0.319 45.469 45.100 0.084 0.000 0.900 244 G HN 0.422 nan 8.290 nan 0.000 0.495 245 K N -0.399 120.102 120.400 0.168 0.000 2.469 245 K HA 0.567 4.887 4.320 -0.001 0.000 0.254 245 K C -2.503 174.190 176.600 0.156 0.000 0.939 245 K CA -1.984 54.397 56.287 0.158 0.000 0.812 245 K CB 2.277 34.888 32.500 0.183 0.000 1.301 245 K HN 0.023 nan 8.250 nan 0.000 0.433 246 P HA 0.111 nan 4.420 nan 0.000 0.270 246 P C -0.835 176.526 177.300 0.101 0.000 1.227 246 P CA -0.434 62.705 63.100 0.064 0.000 0.788 246 P CB 0.418 32.131 31.700 0.021 0.000 0.926 247 L N 1.664 122.922 121.223 0.058 0.000 2.476 247 L HA 0.516 4.855 4.340 -0.001 0.000 0.269 247 L C -1.628 175.244 176.870 0.003 0.000 0.965 247 L CA -0.776 54.104 54.840 0.066 0.000 0.845 247 L CB 1.602 43.697 42.059 0.060 0.000 1.259 247 L HN 0.114 nan 8.230 nan 0.000 0.403 248 L N 6.257 127.493 121.223 0.022 0.000 2.282 248 L HA 0.669 5.009 4.340 -0.001 0.000 0.288 248 L C -1.077 175.805 176.870 0.021 0.000 1.033 248 L CA 0.081 54.921 54.840 -0.001 0.000 0.807 248 L CB 1.075 43.146 42.059 0.020 0.000 1.209 248 L HN 0.566 nan 8.230 nan 0.000 0.423 249 I N 6.444 127.012 120.570 -0.003 0.000 2.354 249 I HA 0.405 4.575 4.170 -0.001 0.000 0.292 249 I C -0.575 175.571 176.117 0.048 0.000 0.989 249 I CA -0.345 60.966 61.300 0.017 0.000 1.188 249 I CB 1.363 39.361 38.000 -0.004 0.000 1.342 249 I HN 0.506 nan 8.210 nan 0.000 0.457 250 I N 6.154 126.758 120.570 0.056 0.000 2.411 250 I HA 0.739 4.908 4.170 -0.001 0.000 0.284 250 I C -0.129 176.005 176.117 0.027 0.000 1.012 250 I CA -0.226 61.112 61.300 0.063 0.000 1.119 250 I CB 1.544 39.585 38.000 0.068 0.000 1.261 250 I HN 0.680 nan 8.210 nan 0.000 0.448 251 A N 4.357 127.197 122.820 0.033 0.000 2.593 251 A HA 0.481 4.800 4.320 -0.001 0.000 0.290 251 A C 0.608 178.210 177.584 0.030 0.000 1.126 251 A CA -0.544 51.507 52.037 0.023 0.000 0.695 251 A CB 1.355 20.372 19.000 0.028 0.000 1.290 251 A HN 0.700 nan 8.150 nan 0.000 0.414 252 E N -0.324 119.892 120.200 0.027 0.000 2.136 252 E HA -0.219 4.131 4.350 -0.001 0.000 0.202 252 E C -0.261 176.368 176.600 0.047 0.000 1.019 252 E CA 2.157 58.579 56.400 0.036 0.000 0.819 252 E CB 0.117 29.838 29.700 0.035 0.000 0.739 252 E HN 0.562 nan 8.360 nan 0.000 0.458 253 D N -2.460 117.969 120.400 0.048 0.000 2.728 253 D HA 0.144 4.784 4.640 -0.001 0.000 0.249 253 D C -1.853 174.483 176.300 0.059 0.000 1.225 253 D CA -0.419 53.615 54.000 0.057 0.000 0.748 253 D CB 1.873 42.704 40.800 0.050 0.000 1.326 253 D HN -0.211 nan 8.370 nan 0.000 0.426 254 V N 2.270 122.229 119.914 0.074 0.000 2.409 254 V HA 0.517 4.637 4.120 -0.001 0.000 0.290 254 V C -0.173 175.972 176.094 0.084 0.000 1.017 254 V CA -0.600 61.747 62.300 0.079 0.000 0.841 254 V CB 1.504 33.384 31.823 0.095 0.000 1.003 254 V HN 0.396 nan 8.190 nan 0.000 0.426 255 E N 2.318 122.557 120.200 0.066 0.000 2.299 255 E HA 0.691 5.041 4.350 -0.001 0.000 0.265 255 E C 0.844 177.474 176.600 0.051 0.000 0.911 255 E CA -0.103 56.332 56.400 0.058 0.000 0.789 255 E CB 2.405 32.132 29.700 0.045 0.000 1.246 255 E HN 0.819 nan 8.360 nan 0.000 0.427 256 G N 2.247 111.075 108.800 0.045 0.000 2.665 256 G HA2 -0.475 3.485 3.960 -0.001 0.000 0.326 256 G HA3 -0.475 3.485 3.960 -0.001 0.000 0.326 256 G C 1.130 176.049 174.900 0.033 0.000 1.231 256 G CA 0.858 45.979 45.100 0.034 0.000 0.992 256 G HN 0.706 nan 8.290 nan 0.000 0.549 257 E N 1.579 121.795 120.200 0.027 0.000 2.097 257 E HA -0.123 4.226 4.350 -0.001 0.000 0.196 257 E C 2.861 179.480 176.600 0.033 0.000 1.000 257 E CA 2.435 58.849 56.400 0.023 0.000 0.804 257 E CB -0.614 29.096 29.700 0.018 0.000 0.740 257 E HN 0.944 nan 8.360 nan 0.000 0.454 258 A N 1.107 123.951 122.820 0.041 0.000 1.930 258 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 258 A C 2.212 179.843 177.584 0.079 0.000 1.175 258 A CA 1.306 53.374 52.037 0.052 0.000 0.627 258 A CB -0.582 18.447 19.000 0.049 0.000 0.815 258 A HN 0.352 nan 8.150 nan 0.000 0.443 259 L N -0.473 120.803 121.223 0.089 0.000 2.072 259 L HA 0.040 4.379 4.340 -0.001 0.000 0.205 259 L C 2.639 179.581 176.870 0.119 0.000 1.079 259 L CA 2.058 56.978 54.840 0.134 0.000 0.752 259 L CB -0.639 41.494 42.059 0.123 0.000 0.906 259 L HN 0.313 nan 8.230 nan 0.000 0.436 260 A N -1.715 121.141 122.820 0.060 0.000 1.929 260 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 260 A C 2.205 179.805 177.584 0.026 0.000 1.176 260 A CA 1.919 53.968 52.037 0.020 0.000 0.628 260 A CB -1.079 17.919 19.000 -0.003 0.000 0.816 260 A HN 0.483 nan 8.150 nan 0.000 0.444 261 T N 0.718 115.297 114.554 0.041 0.000 2.833 261 T HA -0.084 4.265 4.350 -0.001 0.000 0.269 261 T C 1.741 176.480 174.700 0.064 0.000 1.054 261 T CA 1.472 63.595 62.100 0.038 0.000 1.135 261 T CB -0.358 68.530 68.868 0.033 0.000 0.869 261 T HN 0.385 nan 8.240 nan 0.000 0.466 262 L N 0.431 121.722 121.223 0.114 0.000 2.072 262 L HA -0.023 4.316 4.340 -0.001 0.000 0.205 262 L C 2.675 179.696 176.870 0.250 0.000 1.079 262 L CA 0.629 55.574 54.840 0.175 0.000 0.752 262 L CB -0.743 41.446 42.059 0.218 0.000 0.906 262 L HN 0.114 nan 8.230 nan 0.000 0.436 263 V N 0.316 120.358 119.914 0.213 0.000 2.255 263 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 263 V C 2.539 178.641 176.094 0.013 0.000 1.051 263 V CA 2.059 64.396 62.300 0.062 0.000 1.018 263 V CB -0.486 31.245 31.823 -0.152 0.000 0.641 263 V HN 0.456 nan 8.190 nan 0.000 0.445 264 V N -1.764 118.141 119.914 -0.015 0.000 2.759 264 V HA -0.165 3.954 4.120 -0.001 0.000 0.256 264 V C 1.818 177.912 176.094 -0.000 0.000 1.080 264 V CA 2.191 64.470 62.300 -0.035 0.000 1.101 264 V CB -1.074 30.722 31.823 -0.046 0.000 0.698 264 V HN 0.577 nan 8.190 nan 0.000 0.477 265 N N 0.401 119.121 118.700 0.034 0.000 2.220 265 N HA -0.123 4.616 4.740 -0.001 0.000 0.182 265 N C 1.960 177.499 175.510 0.049 0.000 1.023 265 N CA 1.717 54.789 53.050 0.037 0.000 0.856 265 N CB -0.077 38.436 38.487 0.044 0.000 0.997 265 N HN 0.537 nan 8.380 nan 0.000 0.429 266 T N 1.007 115.615 114.554 0.090 0.000 2.942 266 T HA 0.035 4.384 4.350 -0.001 0.000 0.265 266 T C 1.874 176.622 174.700 0.081 0.000 1.062 266 T CA 0.445 62.605 62.100 0.101 0.000 1.139 266 T CB 0.025 68.996 68.868 0.171 0.000 0.883 266 T HN 0.088 nan 8.240 nan 0.000 0.468 267 M N 0.138 119.777 119.600 0.066 0.000 2.159 267 M HA -0.073 4.407 4.480 -0.001 0.000 0.263 267 M C 2.338 178.643 176.300 0.008 0.000 1.063 267 M CA 1.450 56.770 55.300 0.032 0.000 1.110 267 M CB -0.165 32.429 32.600 -0.009 0.000 1.374 267 M HN 0.239 nan 8.290 nan 0.000 0.411 268 R N -0.552 119.949 120.500 0.002 0.000 2.075 268 R HA -0.064 4.276 4.340 -0.001 0.000 0.230 268 R C 1.143 177.442 176.300 -0.001 0.000 1.140 268 R CA 1.439 57.534 56.100 -0.008 0.000 0.928 268 R CB -0.278 30.016 30.300 -0.010 0.000 0.834 268 R HN 0.584 nan 8.270 nan 0.000 0.429 269 G N -1.250 107.556 108.800 0.010 0.000 2.334 269 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.222 269 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.222 269 G C 0.239 175.147 174.900 0.014 0.000 1.077 269 G CA -0.499 44.609 45.100 0.015 0.000 0.861 269 G HN 0.092 nan 8.290 nan 0.000 0.508 270 I N -0.325 120.255 120.570 0.016 0.000 2.260 270 I HA 0.240 4.409 4.170 -0.001 0.000 0.237 270 I C 0.973 177.101 176.117 0.019 0.000 1.075 270 I CA 0.835 62.143 61.300 0.014 0.000 1.376 270 I CB 0.115 38.121 38.000 0.010 0.000 1.107 270 I HN 0.048 nan 8.210 nan 0.000 0.420 271 V N 1.733 121.661 119.914 0.024 0.000 2.443 271 V HA 0.312 4.432 4.120 -0.001 0.000 0.293 271 V C -0.544 175.569 176.094 0.032 0.000 1.021 271 V CA -0.939 61.378 62.300 0.027 0.000 0.848 271 V CB 1.478 33.313 31.823 0.021 0.000 0.998 271 V HN 0.054 nan 8.190 nan 0.000 0.424 272 K N 3.677 124.097 120.400 0.033 0.000 2.349 272 K HA 0.535 4.854 4.320 -0.001 0.000 0.289 272 K C -0.719 175.883 176.600 0.005 0.000 1.064 272 K CA 0.135 56.441 56.287 0.030 0.000 0.947 272 K CB 1.047 33.564 32.500 0.029 0.000 1.007 272 K HN 0.449 nan 8.250 nan 0.000 0.478 273 V N 2.261 122.165 119.914 -0.017 0.000 2.656 273 V HA 0.818 4.937 4.120 -0.001 0.000 0.307 273 V C -0.754 175.110 176.094 -0.383 0.000 1.051 273 V CA -1.010 61.220 62.300 -0.116 0.000 0.893 273 V CB 1.834 33.622 31.823 -0.058 0.000 0.999 273 V HN 0.784 nan 8.190 nan 0.000 0.426 274 A N 3.498 126.041 122.820 -0.461 0.000 2.486 274 A HA 0.994 5.313 4.320 -0.001 0.000 0.300 274 A C -0.647 176.641 177.584 -0.494 0.000 1.048 274 A CA -0.242 51.333 52.037 -0.770 0.000 0.696 274 A CB 1.921 20.706 19.000 -0.360 0.000 1.278 274 A HN 1.502 nan 8.150 nan 0.000 0.405 275 A N 1.067 123.579 122.820 -0.512 0.000 2.371 275 A HA 0.836 5.155 4.320 -0.001 0.000 0.311 275 A C -0.441 177.173 177.584 0.049 0.000 1.068 275 A CA -0.124 51.837 52.037 -0.128 0.000 0.744 275 A CB 1.286 20.261 19.000 -0.043 0.000 1.239 275 A HN 2.300 nan 8.150 nan 0.000 0.435 276 V N -0.396 119.571 119.914 0.088 0.000 2.925 276 V HA 0.628 4.747 4.120 -0.001 0.000 0.311 276 V C -0.450 175.733 176.094 0.148 0.000 1.104 276 V CA -1.222 61.165 62.300 0.144 0.000 0.954 276 V CB 1.484 33.413 31.823 0.177 0.000 1.022 276 V HN 0.869 nan 8.190 nan 0.000 0.427 277 K N 2.097 122.584 120.400 0.144 0.000 2.319 277 K HA 0.616 4.936 4.320 -0.001 0.000 0.265 277 K C 0.500 177.168 176.600 0.113 0.000 1.000 277 K CA 0.373 56.728 56.287 0.113 0.000 0.943 277 K CB 0.973 33.533 32.500 0.099 0.000 0.950 277 K HN 1.131 nan 8.250 nan 0.000 0.485 278 A N 3.482 126.324 122.820 0.036 0.000 2.407 278 A HA 0.258 4.578 4.320 -0.001 0.000 0.248 278 A C -2.158 175.384 177.584 -0.070 0.000 1.082 278 A CA -1.180 50.813 52.037 -0.072 0.000 0.785 278 A CB -0.257 18.701 19.000 -0.070 0.000 1.020 278 A HN 0.422 nan 8.150 nan 0.000 0.489 279 P HA 0.454 nan 4.420 nan 0.000 0.279 279 P C 0.681 177.965 177.300 -0.026 0.000 1.239 279 P CA 1.362 64.407 63.100 -0.091 0.000 0.789 279 P CB 0.933 32.491 31.700 -0.235 0.000 0.933 280 G N 2.316 111.160 108.800 0.074 0.000 2.593 280 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.237 280 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.237 280 G C -0.915 174.132 174.900 0.244 0.000 1.312 280 G CA 0.075 45.257 45.100 0.135 0.000 0.896 280 G HN 0.749 nan 8.290 nan 0.000 0.574 281 F N -2.490 117.462 119.950 0.004 0.000 2.693 281 F HA 0.756 5.283 4.527 -0.001 0.000 0.309 281 F C 0.874 176.678 175.800 0.008 0.000 1.129 281 F CA 0.409 58.412 58.000 0.006 0.000 0.948 281 F CB 0.974 39.983 39.000 0.015 0.000 1.315 281 F HN 2.529 nan 8.300 nan 0.000 0.447 282 G N 1.789 110.604 108.800 0.025 0.000 2.547 282 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.271 282 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.271 282 G C 0.324 175.155 174.900 -0.115 0.000 1.209 282 G CA 0.643 45.705 45.100 -0.063 0.000 0.959 282 G HN 0.902 nan 8.290 nan 0.000 0.563 283 D N 1.002 121.323 120.400 -0.131 0.000 2.133 283 D HA -0.116 4.524 4.640 -0.001 0.000 0.195 283 D C 2.613 178.843 176.300 -0.117 0.000 0.997 283 D CA 1.811 55.752 54.000 -0.100 0.000 0.840 283 D CB -0.258 40.492 40.800 -0.083 0.000 0.947 283 D HN 0.672 nan 8.370 nan 0.000 0.452 284 R N 0.519 120.913 120.500 -0.177 0.000 2.189 284 R HA 0.053 4.392 4.340 -0.001 0.000 0.223 284 R C 2.274 178.494 176.300 -0.133 0.000 1.092 284 R CA 0.466 56.470 56.100 -0.159 0.000 0.989 284 R CB -0.215 29.967 30.300 -0.198 0.000 0.876 284 R HN 0.088 nan 8.270 nan 0.000 0.457 285 R N 2.013 122.435 120.500 -0.129 0.000 2.073 285 R HA -0.055 4.285 4.340 -0.001 0.000 0.229 285 R C 1.690 177.942 176.300 -0.079 0.000 1.120 285 R CA 1.434 57.482 56.100 -0.086 0.000 0.967 285 R CB 0.049 30.327 30.300 -0.036 0.000 0.862 285 R HN 0.190 nan 8.270 nan 0.000 0.436 286 K N -0.064 120.296 120.400 -0.066 0.000 2.097 286 K HA -0.097 4.222 4.320 -0.001 0.000 0.206 286 K C 2.078 178.642 176.600 -0.060 0.000 1.049 286 K CA 1.378 57.633 56.287 -0.054 0.000 0.933 286 K CB -0.124 32.351 32.500 -0.041 0.000 0.717 286 K HN 0.176 nan 8.250 nan 0.000 0.442 287 A N 1.409 124.189 122.820 -0.067 0.000 1.877 287 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 287 A C 2.147 179.687 177.584 -0.072 0.000 1.186 287 A CA 1.548 53.546 52.037 -0.064 0.000 0.620 287 A CB -0.436 18.523 19.000 -0.068 0.000 0.822 287 A HN 0.172 nan 8.150 nan 0.000 0.443 288 M N -0.889 118.656 119.600 -0.092 0.000 2.254 288 M HA -0.010 4.470 4.480 -0.001 0.000 0.265 288 M C 2.136 178.356 176.300 -0.134 0.000 1.066 288 M CA 0.936 56.168 55.300 -0.114 0.000 1.123 288 M CB -0.425 32.090 32.600 -0.141 0.000 1.388 288 M HN 0.372 nan 8.290 nan 0.000 0.425 289 L N 0.070 121.217 121.223 -0.127 0.000 2.042 289 L HA -0.269 4.070 4.340 -0.001 0.000 0.210 289 L C 2.703 179.529 176.870 -0.073 0.000 1.076 289 L CA 1.402 56.174 54.840 -0.114 0.000 0.749 289 L CB -0.461 41.548 42.059 -0.085 0.000 0.893 289 L HN 0.300 nan 8.230 nan 0.000 0.432 290 Q N 0.178 119.943 119.800 -0.057 0.000 2.084 290 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 290 Q C 1.666 177.646 176.000 -0.033 0.000 0.978 290 Q CA 1.907 57.687 55.803 -0.038 0.000 0.844 290 Q CB -0.195 28.523 28.738 -0.034 0.000 0.898 290 Q HN 0.408 nan 8.270 nan 0.000 0.426 291 D N -0.229 120.146 120.400 -0.042 0.000 2.116 291 D HA -0.182 4.457 4.640 -0.001 0.000 0.193 291 D C 1.852 178.140 176.300 -0.020 0.000 0.998 291 D CA 1.618 55.599 54.000 -0.031 0.000 0.836 291 D CB -0.288 40.490 40.800 -0.038 0.000 0.951 291 D HN 0.382 nan 8.370 nan 0.000 0.449 292 I N 0.941 121.491 120.570 -0.033 0.000 2.226 292 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 292 I C 2.466 178.587 176.117 0.006 0.000 1.100 292 I CA 1.050 62.346 61.300 -0.006 0.000 1.374 292 I CB -0.301 37.680 38.000 -0.032 0.000 1.057 292 I HN -0.068 nan 8.210 nan 0.000 0.413 293 A N 0.792 123.609 122.820 -0.006 0.000 1.940 293 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 293 A C 2.396 179.985 177.584 0.008 0.000 1.176 293 A CA 2.566 54.605 52.037 0.004 0.000 0.631 293 A CB -1.137 17.862 19.000 -0.003 0.000 0.814 293 A HN 0.466 nan 8.150 nan 0.000 0.446 294 T N 0.096 114.651 114.554 0.002 0.000 2.857 294 T HA -0.033 4.317 4.350 -0.001 0.000 0.266 294 T C 1.831 176.536 174.700 0.008 0.000 1.048 294 T CA 0.949 63.051 62.100 0.004 0.000 1.139 294 T CB -0.307 68.560 68.868 -0.002 0.000 0.874 294 T HN 0.246 nan 8.240 nan 0.000 0.455 295 L N 2.411 123.641 121.223 0.011 0.000 2.079 295 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 295 L C 2.322 179.203 176.870 0.018 0.000 1.081 295 L CA 2.454 57.304 54.840 0.017 0.000 0.752 295 L CB -1.319 40.757 42.059 0.028 0.000 0.896 295 L HN 0.509 nan 8.230 nan 0.000 0.433 296 T N -4.153 110.414 114.554 0.022 0.000 3.069 296 T HA 0.274 4.624 4.350 -0.001 0.000 0.252 296 T C 1.130 175.843 174.700 0.021 0.000 1.053 296 T CA 0.372 62.486 62.100 0.022 0.000 0.964 296 T CB -0.017 68.871 68.868 0.034 0.000 1.005 296 T HN 0.543 nan 8.240 nan 0.000 0.532 297 G N 0.295 109.107 108.800 0.020 0.000 2.324 297 G HA2 0.202 4.162 3.960 -0.001 0.000 0.292 297 G HA3 0.202 4.162 3.960 -0.001 0.000 0.292 297 G C 0.231 175.150 174.900 0.032 0.000 1.079 297 G CA -0.170 44.943 45.100 0.021 0.000 1.026 297 G HN 1.123 nan 8.290 nan 0.000 0.506 298 G N -1.293 107.525 108.800 0.030 0.000 2.866 298 G HA2 1.028 4.988 3.960 -0.001 0.000 0.289 298 G HA3 1.028 4.988 3.960 -0.001 0.000 0.289 298 G C -0.394 174.519 174.900 0.021 0.000 1.396 298 G CA 0.428 45.549 45.100 0.035 0.000 0.848 298 G HN 1.322 nan 8.290 nan 0.000 0.515 299 T N -1.982 112.583 114.554 0.018 0.000 2.893 299 T HA 0.576 4.925 4.350 -0.001 0.000 0.293 299 T C -0.408 174.295 174.700 0.005 0.000 1.027 299 T CA -0.610 61.495 62.100 0.008 0.000 0.988 299 T CB 1.716 70.588 68.868 0.006 0.000 1.043 299 T HN 0.523 nan 8.240 nan 0.000 0.461 300 V N 2.999 122.912 119.914 -0.002 0.000 2.529 300 V HA 0.151 4.270 4.120 -0.001 0.000 0.292 300 V C 0.340 176.432 176.094 -0.004 0.000 1.028 300 V CA -0.366 61.931 62.300 -0.005 0.000 1.074 300 V CB -0.263 31.552 31.823 -0.013 0.000 0.958 300 V HN 0.776 nan 8.190 nan 0.000 0.481 301 I N 5.320 125.889 120.570 -0.002 0.000 2.278 301 I HA 0.123 4.292 4.170 -0.001 0.000 0.300 301 I C 0.759 176.875 176.117 -0.003 0.000 1.174 301 I CA 0.735 62.034 61.300 -0.002 0.000 1.347 301 I CB 0.354 38.353 38.000 -0.001 0.000 1.473 301 I HN 0.695 nan 8.210 nan 0.000 0.595 302 S N 3.742 119.440 115.700 -0.004 0.000 2.422 302 S HA 0.279 4.748 4.470 -0.001 0.000 0.308 302 S C 1.015 175.613 174.600 -0.002 0.000 1.097 302 S CA -0.753 57.445 58.200 -0.004 0.000 1.099 302 S CB 0.849 64.045 63.200 -0.007 0.000 0.976 302 S HN 0.704 nan 8.310 nan 0.000 0.471 303 E N 2.500 122.699 120.200 -0.000 0.000 2.204 303 E HA -0.232 4.118 4.350 -0.001 0.000 0.195 303 E C 1.463 178.063 176.600 0.001 0.000 0.990 303 E CA 1.144 57.544 56.400 0.001 0.000 0.821 303 E CB -0.229 29.473 29.700 0.003 0.000 0.750 303 E HN 0.845 nan 8.360 nan 0.000 0.477 304 E N 0.739 120.939 120.200 0.000 0.000 2.150 304 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 304 E C 1.991 178.590 176.600 -0.001 0.000 0.985 304 E CA 0.941 57.341 56.400 0.000 0.000 0.814 304 E CB -0.004 29.696 29.700 -0.000 0.000 0.752 304 E HN 0.389 nan 8.360 nan 0.000 0.466 305 I N -0.995 119.574 120.570 -0.002 0.000 2.439 305 I HA -0.055 4.115 4.170 -0.001 0.000 0.251 305 I C 1.564 177.680 176.117 -0.002 0.000 1.139 305 I CA 1.035 62.333 61.300 -0.003 0.000 1.438 305 I CB 0.298 38.295 38.000 -0.004 0.000 1.085 305 I HN 0.384 nan 8.210 nan 0.000 0.427 306 G N 0.208 109.007 108.800 -0.002 0.000 2.198 306 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.156 306 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.156 306 G C 0.292 175.191 174.900 -0.002 0.000 1.012 306 G CA -0.603 44.496 45.100 -0.001 0.000 0.692 306 G HN 0.103 nan 8.290 nan 0.000 0.492 307 M N 1.507 121.105 119.600 -0.002 0.000 2.219 307 M HA 0.353 4.833 4.480 -0.001 0.000 0.353 307 M C 0.273 176.572 176.300 -0.003 0.000 1.304 307 M CA 0.550 55.848 55.300 -0.003 0.000 1.115 307 M CB 0.549 33.147 32.600 -0.003 0.000 1.664 307 M HN 0.187 nan 8.290 nan 0.000 0.459 308 E N 2.358 122.556 120.200 -0.003 0.000 2.216 308 E HA 0.168 4.518 4.350 -0.001 0.000 0.279 308 E C 0.393 176.990 176.600 -0.005 0.000 0.997 308 E CA -0.344 56.054 56.400 -0.004 0.000 0.817 308 E CB 1.861 31.559 29.700 -0.004 0.000 1.096 308 E HN 0.668 nan 8.360 nan 0.000 0.393 309 L N 2.513 123.733 121.223 -0.004 0.000 2.217 309 L HA -0.137 4.203 4.340 -0.001 0.000 0.211 309 L C 1.368 178.233 176.870 -0.010 0.000 1.107 309 L CA 1.250 56.087 54.840 -0.006 0.000 0.783 309 L CB 0.207 42.265 42.059 -0.002 0.000 0.919 309 L HN 0.543 nan 8.230 nan 0.000 0.442 310 E N -0.125 120.070 120.200 -0.009 0.000 2.482 310 E HA -0.083 4.266 4.350 -0.001 0.000 0.196 310 E C 0.606 177.197 176.600 -0.015 0.000 1.047 310 E CA 0.584 56.976 56.400 -0.012 0.000 0.869 310 E CB 0.216 29.910 29.700 -0.009 0.000 0.836 310 E HN 0.305 nan 8.360 nan 0.000 0.520 311 K N 0.042 120.434 120.400 -0.014 0.000 2.726 311 K HA 0.418 4.737 4.320 -0.001 0.000 0.209 311 K C -0.556 176.033 176.600 -0.017 0.000 1.082 311 K CA -0.242 56.036 56.287 -0.015 0.000 1.081 311 K CB 1.411 33.905 32.500 -0.011 0.000 0.830 311 K HN -0.077 nan 8.250 nan 0.000 0.470 312 A N 1.416 124.222 122.820 -0.022 0.000 2.271 312 A HA 0.440 4.760 4.320 -0.001 0.000 0.317 312 A C 0.480 178.040 177.584 -0.040 0.000 1.245 312 A CA -0.447 51.575 52.037 -0.025 0.000 0.857 312 A CB 0.481 19.468 19.000 -0.021 0.000 1.175 312 A HN 0.265 nan 8.150 nan 0.000 0.512 313 T N 0.472 115.003 114.554 -0.037 0.000 2.849 313 T HA 0.496 4.846 4.350 -0.001 0.000 0.272 313 T C 1.412 176.074 174.700 -0.065 0.000 1.046 313 T CA -0.368 61.700 62.100 -0.053 0.000 0.983 313 T CB -0.203 68.644 68.868 -0.036 0.000 1.721 313 T HN 0.264 nan 8.240 nan 0.000 0.594 314 L N 1.552 122.738 121.223 -0.062 0.000 1.933 314 L HA -0.130 4.210 4.340 -0.001 0.000 0.220 314 L C 3.183 180.071 176.870 0.030 0.000 1.078 314 L CA 2.130 56.944 54.840 -0.044 0.000 0.773 314 L CB -0.629 41.429 42.059 -0.002 0.000 0.890 314 L HN 0.870 nan 8.230 nan 0.000 0.434 315 E N -0.333 119.889 120.200 0.037 0.000 2.267 315 E HA -0.263 4.087 4.350 -0.001 0.000 0.197 315 E C 1.389 178.016 176.600 0.044 0.000 0.998 315 E CA 1.678 58.108 56.400 0.050 0.000 0.830 315 E CB -0.667 29.053 29.700 0.033 0.000 0.751 315 E HN 0.522 nan 8.360 nan 0.000 0.491 316 D N 0.624 121.040 120.400 0.026 0.000 2.144 316 D HA -0.016 4.623 4.640 -0.001 0.000 0.200 316 D C 0.405 176.728 176.300 0.038 0.000 0.978 316 D CA 0.389 54.401 54.000 0.020 0.000 0.833 316 D CB -0.196 40.605 40.800 0.002 0.000 0.961 316 D HN 0.136 nan 8.370 nan 0.000 0.470 317 L N 0.848 122.105 121.223 0.055 0.000 2.456 317 L HA 0.299 4.639 4.340 -0.001 0.000 0.272 317 L C 1.405 178.366 176.870 0.152 0.000 1.189 317 L CA 0.003 54.909 54.840 0.111 0.000 0.846 317 L CB 0.465 42.609 42.059 0.141 0.000 1.111 317 L HN -0.089 nan 8.230 nan 0.000 0.475 318 G N 2.400 111.278 108.800 0.130 0.000 2.606 318 G HA2 0.405 4.364 3.960 -0.001 0.000 0.252 318 G HA3 0.405 4.364 3.960 -0.001 0.000 0.252 318 G C -0.662 174.294 174.900 0.094 0.000 1.206 318 G CA -0.362 44.795 45.100 0.096 0.000 0.861 318 G HN 0.591 nan 8.290 nan 0.000 0.561 319 Q N -0.956 118.859 119.800 0.025 0.000 2.331 319 Q HA 0.590 4.929 4.340 -0.001 0.000 0.272 319 Q C -0.790 175.177 176.000 -0.056 0.000 1.062 319 Q CA -0.681 55.085 55.803 -0.061 0.000 0.806 319 Q CB 2.461 31.151 28.738 -0.080 0.000 1.312 319 Q HN 0.822 nan 8.270 nan 0.000 0.431 320 A N 1.622 124.389 122.820 -0.088 0.000 2.572 320 A HA 0.404 4.724 4.320 -0.001 0.000 0.295 320 A C -0.069 177.467 177.584 -0.081 0.000 1.072 320 A CA -0.568 51.433 52.037 -0.060 0.000 0.691 320 A CB 1.676 20.659 19.000 -0.029 0.000 1.291 320 A HN 0.616 nan 8.150 nan 0.000 0.404 321 K N -0.106 120.259 120.400 -0.058 0.000 2.097 321 K HA 0.003 4.322 4.320 -0.001 0.000 0.205 321 K C 0.512 177.081 176.600 -0.051 0.000 1.050 321 K CA 1.385 57.638 56.287 -0.057 0.000 0.938 321 K CB 0.011 32.487 32.500 -0.039 0.000 0.718 321 K HN 0.671 nan 8.250 nan 0.000 0.442 322 R N -1.138 119.338 120.500 -0.040 0.000 2.663 322 R HA 0.317 4.656 4.340 -0.001 0.000 0.267 322 R C -2.086 174.198 176.300 -0.027 0.000 1.038 322 R CA -0.519 55.562 56.100 -0.032 0.000 0.886 322 R CB 2.011 32.297 30.300 -0.024 0.000 1.249 322 R HN -0.082 nan 8.270 nan 0.000 0.463 323 V N 3.541 123.440 119.914 -0.025 0.000 2.888 323 V HA 0.699 4.819 4.120 -0.001 0.000 0.309 323 V C -1.701 174.377 176.094 -0.025 0.000 1.114 323 V CA -0.439 61.844 62.300 -0.028 0.000 0.940 323 V CB 2.353 34.161 31.823 -0.025 0.000 1.021 323 V HN 0.510 nan 8.190 nan 0.000 0.426 324 V N 7.428 127.321 119.914 -0.035 0.000 2.525 324 V HA 0.584 4.704 4.120 -0.001 0.000 0.299 324 V C -0.521 175.555 176.094 -0.032 0.000 1.034 324 V CA -0.393 61.897 62.300 -0.018 0.000 0.863 324 V CB 1.676 33.495 31.823 -0.006 0.000 0.999 324 V HN 0.728 nan 8.190 nan 0.000 0.423 325 I N 4.483 125.060 120.570 0.011 0.000 2.382 325 I HA 0.437 4.607 4.170 -0.001 0.000 0.285 325 I C 0.212 176.392 176.117 0.105 0.000 1.007 325 I CA -0.351 60.967 61.300 0.029 0.000 1.142 325 I CB 1.359 39.400 38.000 0.069 0.000 1.289 325 I HN 0.525 nan 8.210 nan 0.000 0.453 326 N N 4.706 123.423 118.700 0.029 0.000 2.328 326 N HA 0.217 4.957 4.740 -0.001 0.000 0.277 326 N C 1.013 176.458 175.510 -0.108 0.000 1.286 326 N CA -0.163 52.901 53.050 0.023 0.000 0.949 326 N CB 0.644 39.107 38.487 -0.040 0.000 1.136 326 N HN 0.418 nan 8.380 nan 0.000 0.550 327 K N -0.140 120.122 120.400 -0.231 0.000 2.365 327 K HA -0.081 4.239 4.320 -0.001 0.000 0.199 327 K C -0.477 175.865 176.600 -0.429 0.000 1.045 327 K CA 1.179 57.094 56.287 -0.620 0.000 0.962 327 K CB -0.042 32.258 32.500 -0.333 0.000 0.759 327 K HN 0.566 nan 8.250 nan 0.000 0.469 328 D N -1.245 119.017 120.400 -0.230 0.000 2.881 328 D HA 0.070 4.709 4.640 -0.001 0.000 0.325 328 D C -0.663 175.573 176.300 -0.105 0.000 1.621 328 D CA -0.334 53.580 54.000 -0.145 0.000 0.785 328 D CB 0.515 41.253 40.800 -0.103 0.000 1.233 328 D HN -0.283 nan 8.370 nan 0.000 0.447 329 T N -0.047 114.431 114.554 -0.127 0.000 3.172 329 T HA 0.519 4.869 4.350 -0.001 0.000 0.320 329 T C -1.210 173.361 174.700 -0.215 0.000 1.085 329 T CA -0.380 61.630 62.100 -0.149 0.000 1.052 329 T CB 1.975 70.772 68.868 -0.119 0.000 1.107 329 T HN -0.084 nan 8.240 nan 0.000 0.458 330 T N 2.442 116.745 114.554 -0.418 0.000 2.786 330 T HA 0.571 4.921 4.350 -0.001 0.000 0.283 330 T C -0.268 174.089 174.700 -0.572 0.000 0.992 330 T CA -0.505 61.258 62.100 -0.561 0.000 0.954 330 T CB 1.445 69.756 68.868 -0.929 0.000 0.934 330 T HN 0.551 nan 8.240 nan 0.000 0.440 331 T N 4.216 118.593 114.554 -0.295 0.000 2.809 331 T HA 0.580 4.929 4.350 -0.001 0.000 0.296 331 T C -0.308 174.327 174.700 -0.109 0.000 1.015 331 T CA -0.672 61.319 62.100 -0.181 0.000 0.954 331 T CB -0.161 68.646 68.868 -0.102 0.000 0.950 331 T HN 0.475 nan 8.240 nan 0.000 0.450 332 I N 6.458 126.991 120.570 -0.063 0.000 2.312 332 I HA 0.391 4.561 4.170 -0.001 0.000 0.291 332 I C -0.191 175.925 176.117 -0.001 0.000 1.031 332 I CA -0.544 60.753 61.300 -0.006 0.000 1.293 332 I CB 0.979 39.016 38.000 0.061 0.000 1.403 332 I HN 0.552 nan 8.210 nan 0.000 0.484 333 I N 6.087 126.651 120.570 -0.010 0.000 2.354 333 I HA 0.219 4.389 4.170 -0.001 0.000 0.292 333 I C -0.185 175.925 176.117 -0.011 0.000 0.989 333 I CA -0.347 60.947 61.300 -0.010 0.000 1.188 333 I CB 1.165 39.156 38.000 -0.015 0.000 1.342 333 I HN 0.558 nan 8.210 nan 0.000 0.457 334 D N 4.988 125.383 120.400 -0.007 0.000 3.278 334 D HA -0.129 4.511 4.640 -0.001 0.000 0.233 334 D C 0.200 176.492 176.300 -0.013 0.000 1.149 334 D CA 0.901 54.895 54.000 -0.010 0.000 0.957 334 D CB -0.295 40.495 40.800 -0.015 0.000 0.913 334 D HN 0.795 nan 8.370 nan 0.000 0.409 335 G N 0.701 109.499 108.800 -0.003 0.000 2.442 335 G HA2 0.399 4.359 3.960 -0.001 0.000 0.249 335 G HA3 0.399 4.359 3.960 -0.001 0.000 0.249 335 G C 1.217 176.113 174.900 -0.007 0.000 1.263 335 G CA -0.289 44.810 45.100 -0.003 0.000 0.846 335 G HN 0.498 nan 8.290 nan 0.000 0.555 336 V N 2.205 122.112 119.914 -0.012 0.000 3.499 336 V HA 0.210 4.330 4.120 -0.001 0.000 0.308 336 V C 1.692 177.785 176.094 -0.002 0.000 1.319 336 V CA 0.011 62.303 62.300 -0.012 0.000 1.194 336 V CB -0.771 31.038 31.823 -0.023 0.000 1.072 336 V HN 0.755 nan 8.190 nan 0.000 0.426 337 G N 0.425 109.226 108.800 0.003 0.000 2.441 337 G HA2 0.226 4.186 3.960 -0.001 0.000 0.243 337 G HA3 0.226 4.186 3.960 -0.001 0.000 0.243 337 G C 0.018 174.920 174.900 0.004 0.000 1.281 337 G CA -0.284 44.820 45.100 0.006 0.000 0.854 337 G HN 0.276 nan 8.290 nan 0.000 0.560 338 E N 1.331 121.533 120.200 0.004 0.000 2.465 338 E HA -0.022 4.327 4.350 -0.001 0.000 0.260 338 E C 1.136 177.737 176.600 0.002 0.000 0.980 338 E CA -0.068 56.333 56.400 0.003 0.000 0.927 338 E CB 0.896 30.598 29.700 0.004 0.000 0.934 338 E HN 0.544 nan 8.360 nan 0.000 0.459 339 E N 1.814 122.014 120.200 0.001 0.000 2.409 339 E HA -0.136 4.213 4.350 -0.001 0.000 0.198 339 E C 1.348 177.948 176.600 0.000 0.000 1.024 339 E CA 0.732 57.132 56.400 0.000 0.000 0.861 339 E CB 0.076 29.776 29.700 -0.000 0.000 0.788 339 E HN 0.498 nan 8.360 nan 0.000 0.521 340 A N 1.048 123.868 122.820 0.000 0.000 1.984 340 A HA 0.250 4.570 4.320 -0.001 0.000 0.214 340 A C 2.341 179.925 177.584 -0.001 0.000 1.173 340 A CA 1.017 53.054 52.037 -0.000 0.000 0.673 340 A CB -0.126 18.874 19.000 -0.000 0.000 0.830 340 A HN 0.240 nan 8.150 nan 0.000 0.453 341 A N 0.235 123.055 122.820 0.000 0.000 1.897 341 A HA 0.023 4.343 4.320 -0.001 0.000 0.215 341 A C 2.049 179.632 177.584 -0.001 0.000 1.181 341 A CA 1.343 53.380 52.037 -0.000 0.000 0.620 341 A CB -0.560 18.440 19.000 0.001 0.000 0.821 341 A HN 0.447 nan 8.150 nan 0.000 0.443 342 I N -0.860 119.710 120.570 -0.000 0.000 2.142 342 I HA -0.299 3.871 4.170 -0.001 0.000 0.240 342 I C 2.730 178.846 176.117 -0.002 0.000 1.078 342 I CA 1.782 63.082 61.300 -0.000 0.000 1.343 342 I CB -0.410 37.591 38.000 0.002 0.000 1.046 342 I HN 0.379 nan 8.210 nan 0.000 0.405 343 Q N 1.089 120.888 119.800 -0.002 0.000 2.096 343 Q HA -0.215 4.124 4.340 -0.001 0.000 0.208 343 Q C 2.154 178.152 176.000 -0.004 0.000 0.993 343 Q CA 2.548 58.350 55.803 -0.002 0.000 0.862 343 Q CB -0.660 28.077 28.738 -0.002 0.000 0.915 343 Q HN 0.552 nan 8.270 nan 0.000 0.416 344 G N -0.357 108.441 108.800 -0.004 0.000 2.404 344 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.215 344 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.215 344 G C 1.471 176.367 174.900 -0.006 0.000 1.174 344 G CA 0.861 45.958 45.100 -0.004 0.000 0.780 344 G HN 0.321 nan 8.290 nan 0.000 0.537 345 R N 0.282 120.778 120.500 -0.006 0.000 2.091 345 R HA -0.053 4.287 4.340 -0.001 0.000 0.238 345 R C 2.572 178.866 176.300 -0.011 0.000 1.136 345 R CA 1.654 57.749 56.100 -0.009 0.000 0.959 345 R CB -0.897 29.398 30.300 -0.009 0.000 0.856 345 R HN 0.223 nan 8.270 nan 0.000 0.437 346 V N 0.770 120.679 119.914 -0.009 0.000 2.287 346 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 346 V C 2.389 178.477 176.094 -0.010 0.000 1.053 346 V CA 1.993 64.287 62.300 -0.010 0.000 1.027 346 V CB -1.049 30.769 31.823 -0.007 0.000 0.646 346 V HN 0.572 nan 8.190 nan 0.000 0.447 347 A N -0.826 121.988 122.820 -0.009 0.000 1.940 347 A HA -0.315 4.004 4.320 -0.001 0.000 0.219 347 A C 2.180 179.758 177.584 -0.010 0.000 1.176 347 A CA 2.100 54.132 52.037 -0.008 0.000 0.631 347 A CB -0.510 18.486 19.000 -0.007 0.000 0.814 347 A HN 0.645 nan 8.150 nan 0.000 0.446 348 Q N -0.597 119.196 119.800 -0.011 0.000 2.096 348 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 348 Q C 2.007 177.998 176.000 -0.015 0.000 0.982 348 Q CA 1.752 57.547 55.803 -0.012 0.000 0.850 348 Q CB -0.359 28.371 28.738 -0.013 0.000 0.901 348 Q HN 0.782 nan 8.270 nan 0.000 0.422 349 I N 0.116 120.676 120.570 -0.017 0.000 2.315 349 I HA -0.230 3.939 4.170 -0.001 0.000 0.248 349 I C 2.323 178.428 176.117 -0.020 0.000 1.117 349 I CA 0.913 62.200 61.300 -0.021 0.000 1.404 349 I CB -0.244 37.742 38.000 -0.024 0.000 1.071 349 I HN 0.097 nan 8.210 nan 0.000 0.419 350 R N 0.463 120.954 120.500 -0.016 0.000 2.120 350 R HA -0.136 4.204 4.340 -0.001 0.000 0.234 350 R C 2.244 178.536 176.300 -0.013 0.000 1.123 350 R CA 0.948 57.040 56.100 -0.014 0.000 0.975 350 R CB -0.221 30.073 30.300 -0.012 0.000 0.866 350 R HN 0.438 nan 8.270 nan 0.000 0.446 351 Q N 0.592 120.385 119.800 -0.012 0.000 2.172 351 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 351 Q C 1.916 177.909 176.000 -0.012 0.000 0.964 351 Q CA 1.297 57.093 55.803 -0.011 0.000 0.855 351 Q CB 0.016 28.748 28.738 -0.009 0.000 0.918 351 Q HN 0.486 nan 8.270 nan 0.000 0.444 352 Q N -0.153 119.638 119.800 -0.015 0.000 2.291 352 Q HA -0.023 4.317 4.340 -0.001 0.000 0.205 352 Q C 1.990 177.980 176.000 -0.017 0.000 0.970 352 Q CA 0.572 56.365 55.803 -0.017 0.000 0.876 352 Q CB 0.070 28.795 28.738 -0.021 0.000 0.935 352 Q HN 0.381 nan 8.270 nan 0.000 0.455 353 I N 0.603 121.162 120.570 -0.018 0.000 2.439 353 I HA -0.198 3.971 4.170 -0.001 0.000 0.251 353 I C 2.062 178.172 176.117 -0.012 0.000 1.139 353 I CA 0.698 61.987 61.300 -0.018 0.000 1.438 353 I CB -0.107 37.882 38.000 -0.020 0.000 1.085 353 I HN 0.126 nan 8.210 nan 0.000 0.427 354 E N 1.320 121.514 120.200 -0.010 0.000 2.051 354 E HA -0.261 4.089 4.350 -0.001 0.000 0.192 354 E C 1.952 178.549 176.600 -0.005 0.000 0.991 354 E CA 1.681 58.077 56.400 -0.007 0.000 0.799 354 E CB -0.324 29.372 29.700 -0.006 0.000 0.748 354 E HN 0.690 nan 8.360 nan 0.000 0.449 355 E N 1.310 121.506 120.200 -0.006 0.000 2.274 355 E HA 0.043 4.393 4.350 -0.001 0.000 0.194 355 E C 0.586 177.185 176.600 -0.003 0.000 0.996 355 E CA 0.426 56.824 56.400 -0.004 0.000 0.840 355 E CB -0.083 29.614 29.700 -0.005 0.000 0.772 355 E HN 0.018 nan 8.360 nan 0.000 0.491 356 A N 1.928 124.745 122.820 -0.004 0.000 2.540 356 A HA 0.026 4.346 4.320 -0.001 0.000 0.264 356 A C 1.011 178.597 177.584 0.005 0.000 1.080 356 A CA 0.688 52.724 52.037 -0.001 0.000 0.776 356 A CB -0.242 18.755 19.000 -0.006 0.000 1.011 356 A HN 0.396 nan 8.150 nan 0.000 0.514 357 T N -0.103 114.456 114.554 0.009 0.000 3.122 357 T HA 0.337 4.687 4.350 -0.001 0.000 0.250 357 T C 0.547 175.259 174.700 0.020 0.000 1.067 357 T CA 0.417 62.524 62.100 0.012 0.000 0.966 357 T CB -0.125 68.749 68.868 0.009 0.000 1.002 357 T HN 0.633 nan 8.240 nan 0.000 0.542 358 S N 0.055 115.771 115.700 0.028 0.000 2.526 358 S HA 0.410 4.880 4.470 -0.001 0.000 0.293 358 S C 0.174 174.805 174.600 0.053 0.000 1.092 358 S CA -0.578 57.651 58.200 0.048 0.000 0.980 358 S CB 1.908 65.150 63.200 0.070 0.000 1.048 358 S HN 0.133 nan 8.310 nan 0.000 0.483 359 D N 1.746 122.186 120.400 0.067 0.000 2.194 359 D HA -0.042 4.597 4.640 -0.001 0.000 0.204 359 D C 1.350 177.702 176.300 0.085 0.000 0.964 359 D CA 1.114 55.151 54.000 0.061 0.000 0.846 359 D CB -0.082 40.755 40.800 0.060 0.000 0.962 359 D HN 0.667 nan 8.370 nan 0.000 0.490 360 Y N 1.124 121.422 120.300 -0.004 0.000 2.163 360 Y HA -0.119 4.430 4.550 -0.001 0.000 0.288 360 Y C 1.627 177.520 175.900 -0.012 0.000 1.136 360 Y CA 1.731 59.828 58.100 -0.005 0.000 1.147 360 Y CB -0.174 38.285 38.460 -0.003 0.000 0.987 360 Y HN -0.090 nan 8.280 nan 0.000 0.509 361 D N -0.190 120.230 120.400 0.033 0.000 2.117 361 D HA -0.179 4.461 4.640 -0.001 0.000 0.197 361 D C 2.247 178.495 176.300 -0.088 0.000 0.987 361 D CA 1.315 55.286 54.000 -0.048 0.000 0.829 361 D CB -0.456 40.354 40.800 0.015 0.000 0.961 361 D HN 0.306 nan 8.370 nan 0.000 0.460 362 R N 0.585 121.056 120.500 -0.049 0.000 2.094 362 R HA -0.213 4.127 4.340 -0.001 0.000 0.239 362 R C 2.065 178.323 176.300 -0.071 0.000 1.137 362 R CA 2.078 58.151 56.100 -0.045 0.000 0.943 362 R CB 0.001 30.289 30.300 -0.020 0.000 0.850 362 R HN 0.212 nan 8.270 nan 0.000 0.433 363 E N 0.002 120.146 120.200 -0.093 0.000 2.285 363 E HA -0.091 4.258 4.350 -0.001 0.000 0.194 363 E C 1.623 178.133 176.600 -0.150 0.000 0.997 363 E CA 0.814 57.153 56.400 -0.102 0.000 0.845 363 E CB -0.040 29.611 29.700 -0.081 0.000 0.782 363 E HN 0.086 nan 8.360 nan 0.000 0.491 364 K N 0.591 120.849 120.400 -0.236 0.000 2.097 364 K HA 0.006 4.325 4.320 -0.001 0.000 0.205 364 K C 1.955 178.465 176.600 -0.150 0.000 1.050 364 K CA 1.026 57.158 56.287 -0.259 0.000 0.938 364 K CB -0.194 32.074 32.500 -0.388 0.000 0.718 364 K HN 0.310 nan 8.250 nan 0.000 0.442 365 L N 0.727 121.879 121.223 -0.117 0.000 2.240 365 L HA -0.110 4.229 4.340 -0.001 0.000 0.211 365 L C 2.497 179.330 176.870 -0.061 0.000 1.106 365 L CA 0.659 55.453 54.840 -0.077 0.000 0.793 365 L CB -0.271 41.752 42.059 -0.061 0.000 0.927 365 L HN 0.056 nan 8.230 nan 0.000 0.446 366 Q N 0.354 120.116 119.800 -0.063 0.000 2.119 366 Q HA -0.193 4.147 4.340 -0.001 0.000 0.201 366 Q C 2.037 178.013 176.000 -0.041 0.000 0.972 366 Q CA 1.335 57.110 55.803 -0.046 0.000 0.847 366 Q CB -0.023 28.689 28.738 -0.043 0.000 0.903 366 Q HN 0.569 nan 8.270 nan 0.000 0.433 367 E N 0.151 120.320 120.200 -0.052 0.000 2.085 367 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 367 E C 2.157 178.741 176.600 -0.027 0.000 0.994 367 E CA 0.964 57.340 56.400 -0.039 0.000 0.801 367 E CB -0.008 29.662 29.700 -0.050 0.000 0.743 367 E HN 0.220 nan 8.360 nan 0.000 0.453 368 R N 0.164 120.643 120.500 -0.036 0.000 2.070 368 R HA -0.142 4.197 4.340 -0.001 0.000 0.233 368 R C 2.634 178.923 176.300 -0.017 0.000 1.137 368 R CA 1.685 57.769 56.100 -0.027 0.000 0.945 368 R CB -0.516 29.760 30.300 -0.040 0.000 0.845 368 R HN 0.195 nan 8.270 nan 0.000 0.430 369 V N -1.618 118.284 119.914 -0.020 0.000 2.490 369 V HA -0.093 4.026 4.120 -0.001 0.000 0.250 369 V C 2.237 178.326 176.094 -0.008 0.000 1.061 369 V CA 1.668 63.960 62.300 -0.014 0.000 1.064 369 V CB -1.010 30.803 31.823 -0.016 0.000 0.670 369 V HN 0.289 nan 8.190 nan 0.000 0.461 370 A N 0.564 123.378 122.820 -0.009 0.000 1.933 370 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 370 A C 2.370 179.956 177.584 0.003 0.000 1.175 370 A CA 2.173 54.207 52.037 -0.005 0.000 0.628 370 A CB -0.472 18.524 19.000 -0.007 0.000 0.814 370 A HN 0.618 nan 8.150 nan 0.000 0.444 371 K N -1.237 119.167 120.400 0.007 0.000 2.021 371 K HA 0.017 4.336 4.320 -0.001 0.000 0.205 371 K C 1.941 178.552 176.600 0.018 0.000 1.047 371 K CA 1.192 57.490 56.287 0.019 0.000 0.943 371 K CB -0.325 32.195 32.500 0.033 0.000 0.725 371 K HN 0.350 nan 8.250 nan 0.000 0.439 372 L N 0.707 121.937 121.223 0.011 0.000 2.072 372 L HA -0.035 4.305 4.340 -0.001 0.000 0.205 372 L C 2.014 178.888 176.870 0.006 0.000 1.079 372 L CA 1.571 56.416 54.840 0.009 0.000 0.752 372 L CB -0.292 41.768 42.059 0.001 0.000 0.906 372 L HN 0.106 nan 8.230 nan 0.000 0.436 373 A N -1.503 121.318 122.820 0.002 0.000 2.147 373 A HA 0.244 4.563 4.320 -0.001 0.000 0.211 373 A C 2.183 179.768 177.584 0.002 0.000 1.160 373 A CA 0.658 52.696 52.037 0.001 0.000 0.781 373 A CB -0.900 18.098 19.000 -0.002 0.000 0.842 373 A HN 0.444 nan 8.150 nan 0.000 0.475 374 G N -0.296 108.506 108.800 0.003 0.000 2.403 374 G HA2 0.351 4.310 3.960 -0.001 0.000 0.216 374 G HA3 0.351 4.310 3.960 -0.001 0.000 0.216 374 G C 1.165 176.068 174.900 0.005 0.000 1.154 374 G CA 0.714 45.816 45.100 0.003 0.000 0.784 374 G HN 1.617 nan 8.290 nan 0.000 0.538 375 G N -1.657 107.148 108.800 0.007 0.000 2.752 375 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.234 375 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.234 375 G C -0.628 174.277 174.900 0.007 0.000 1.367 375 G CA -0.235 44.870 45.100 0.008 0.000 0.879 375 G HN 1.025 nan 8.290 nan 0.000 0.563 376 V N 0.384 120.301 119.914 0.005 0.000 2.709 376 V HA 0.745 4.865 4.120 -0.001 0.000 0.308 376 V C 0.800 176.895 176.094 0.001 0.000 1.062 376 V CA -0.069 62.233 62.300 0.003 0.000 0.901 376 V CB 1.510 33.334 31.823 0.001 0.000 1.003 376 V HN 2.082 nan 8.190 nan 0.000 0.425 377 A N 4.200 127.021 122.820 0.001 0.000 2.363 377 A HA 0.735 5.055 4.320 -0.001 0.000 0.270 377 A C -0.526 177.059 177.584 0.001 0.000 1.121 377 A CA -0.291 51.747 52.037 0.001 0.000 0.800 377 A CB 0.791 19.792 19.000 0.003 0.000 1.052 377 A HN 0.738 nan 8.150 nan 0.000 0.493 378 V N 4.450 124.364 119.914 -0.000 0.000 2.407 378 V HA 0.304 4.423 4.120 -0.001 0.000 0.291 378 V C -0.245 175.848 176.094 -0.001 0.000 1.018 378 V CA -0.153 62.146 62.300 -0.001 0.000 0.842 378 V CB 1.221 33.042 31.823 -0.004 0.000 0.996 378 V HN 0.738 nan 8.190 nan 0.000 0.426 379 I N 4.930 125.500 120.570 0.000 0.000 2.331 379 I HA 0.423 4.593 4.170 -0.001 0.000 0.292 379 I C 0.189 176.304 176.117 -0.003 0.000 0.998 379 I CA -0.429 60.871 61.300 -0.001 0.000 1.267 379 I CB 1.145 39.145 38.000 0.001 0.000 1.386 379 I HN 0.456 nan 8.210 nan 0.000 0.476 380 K N 5.976 126.373 120.400 -0.004 0.000 2.404 380 K HA 0.408 4.728 4.320 -0.001 0.000 0.257 380 K C -0.939 175.657 176.600 -0.005 0.000 1.026 380 K CA -0.615 55.669 56.287 -0.005 0.000 0.951 380 K CB 1.814 34.310 32.500 -0.005 0.000 1.203 380 K HN 0.342 nan 8.250 nan 0.000 0.446 381 V N 2.460 122.370 119.914 -0.006 0.000 2.521 381 V HA 0.157 4.277 4.120 -0.001 0.000 0.286 381 V C 0.918 177.008 176.094 -0.007 0.000 1.034 381 V CA -0.281 62.015 62.300 -0.007 0.000 1.045 381 V CB 0.855 32.672 31.823 -0.009 0.000 0.974 381 V HN 0.851 nan 8.190 nan 0.000 0.480 382 G N 2.888 111.684 108.800 -0.006 0.000 2.417 382 G HA2 0.843 4.802 3.960 -0.001 0.000 0.334 382 G HA3 0.843 4.802 3.960 -0.001 0.000 0.334 382 G C -0.566 174.330 174.900 -0.006 0.000 1.150 382 G CA 0.036 45.133 45.100 -0.006 0.000 0.923 382 G HN 1.215 nan 8.290 nan 0.000 0.485 383 A N -0.490 122.327 122.820 -0.006 0.000 2.536 383 A HA 0.817 5.136 4.320 -0.001 0.000 0.293 383 A C 0.860 178.441 177.584 -0.005 0.000 1.119 383 A CA 0.429 52.462 52.037 -0.006 0.000 0.654 383 A CB 0.458 19.454 19.000 -0.006 0.000 1.291 383 A HN 1.790 nan 8.150 nan 0.000 0.439 384 A N -0.366 122.451 122.820 -0.005 0.000 1.854 384 A HA 0.385 4.704 4.320 -0.001 0.000 0.214 384 A C 1.435 179.017 177.584 -0.004 0.000 1.192 384 A CA 2.494 54.529 52.037 -0.004 0.000 0.611 384 A CB -0.883 18.114 19.000 -0.004 0.000 0.832 384 A HN 2.089 nan 8.150 nan 0.000 0.442 385 T N -4.335 110.217 114.554 -0.004 0.000 2.938 385 T HA 0.470 4.820 4.350 -0.001 0.000 0.285 385 T C 0.611 175.308 174.700 -0.004 0.000 1.028 385 T CA 0.045 62.143 62.100 -0.004 0.000 1.005 385 T CB 1.859 70.725 68.868 -0.004 0.000 1.157 385 T HN 0.288 nan 8.240 nan 0.000 0.550 386 E N -0.307 119.890 120.200 -0.004 0.000 2.072 386 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 386 E C 2.140 178.737 176.600 -0.004 0.000 0.982 386 E CA 1.414 57.812 56.400 -0.004 0.000 0.803 386 E CB -0.154 29.544 29.700 -0.003 0.000 0.755 386 E HN 0.617 nan 8.360 nan 0.000 0.453 387 V N -1.055 118.857 119.914 -0.004 0.000 2.515 387 V HA -0.185 3.935 4.120 -0.001 0.000 0.250 387 V C 1.809 177.899 176.094 -0.006 0.000 1.058 387 V CA 1.755 64.052 62.300 -0.005 0.000 1.064 387 V CB -0.655 31.166 31.823 -0.004 0.000 0.675 387 V HN 0.128 nan 8.190 nan 0.000 0.461 388 E N -0.098 120.098 120.200 -0.006 0.000 2.047 388 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 388 E C 2.223 178.818 176.600 -0.008 0.000 0.987 388 E CA 1.568 57.964 56.400 -0.008 0.000 0.799 388 E CB -0.287 29.409 29.700 -0.007 0.000 0.752 388 E HN 0.476 nan 8.360 nan 0.000 0.449 389 M N 1.090 120.685 119.600 -0.008 0.000 2.108 389 M HA -0.182 4.297 4.480 -0.001 0.000 0.261 389 M C 1.698 177.993 176.300 -0.009 0.000 1.066 389 M CA 1.580 56.875 55.300 -0.008 0.000 1.107 389 M CB -0.172 32.424 32.600 -0.007 0.000 1.356 389 M HN -0.093 nan 8.290 nan 0.000 0.406 390 K N -0.093 120.302 120.400 -0.009 0.000 2.148 390 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 390 K C 1.923 178.516 176.600 -0.013 0.000 1.050 390 K CA 0.863 57.144 56.287 -0.010 0.000 0.942 390 K CB -0.483 32.013 32.500 -0.008 0.000 0.724 390 K HN 0.424 nan 8.250 nan 0.000 0.446 391 E N 1.588 121.781 120.200 -0.012 0.000 2.028 391 E HA -0.169 4.181 4.350 -0.001 0.000 0.191 391 E C 1.971 178.560 176.600 -0.017 0.000 0.988 391 E CA 1.216 57.607 56.400 -0.014 0.000 0.799 391 E CB 0.104 29.796 29.700 -0.013 0.000 0.755 391 E HN 0.168 nan 8.360 nan 0.000 0.447 392 K N 0.793 121.184 120.400 -0.015 0.000 2.057 392 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 392 K C 2.318 178.906 176.600 -0.019 0.000 1.049 392 K CA 1.253 57.530 56.287 -0.016 0.000 0.931 392 K CB -0.056 32.437 32.500 -0.013 0.000 0.714 392 K HN -0.086 nan 8.250 nan 0.000 0.440 393 K N 0.205 120.594 120.400 -0.018 0.000 2.063 393 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 393 K C 1.938 178.520 176.600 -0.031 0.000 1.048 393 K CA 1.375 57.650 56.287 -0.021 0.000 0.928 393 K CB -0.164 32.326 32.500 -0.017 0.000 0.713 393 K HN 0.214 nan 8.250 nan 0.000 0.442 394 A N 1.362 124.163 122.820 -0.032 0.000 1.933 394 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 394 A C 2.077 179.630 177.584 -0.052 0.000 1.175 394 A CA 1.279 53.290 52.037 -0.043 0.000 0.628 394 A CB -0.382 18.597 19.000 -0.035 0.000 0.814 394 A HN 0.314 nan 8.150 nan 0.000 0.444 395 R N -0.830 119.646 120.500 -0.039 0.000 2.115 395 R HA -0.025 4.315 4.340 -0.001 0.000 0.226 395 R C 1.971 178.248 176.300 -0.038 0.000 1.100 395 R CA 1.240 57.318 56.100 -0.037 0.000 0.980 395 R CB -0.329 29.955 30.300 -0.026 0.000 0.875 395 R HN 0.417 nan 8.270 nan 0.000 0.445 396 V N 1.150 121.043 119.914 -0.034 0.000 2.379 396 V HA -0.196 3.923 4.120 -0.001 0.000 0.245 396 V C 1.871 177.941 176.094 -0.041 0.000 1.044 396 V CA 1.697 63.981 62.300 -0.028 0.000 1.036 396 V CB -0.348 31.464 31.823 -0.018 0.000 0.664 396 V HN 0.323 nan 8.190 nan 0.000 0.453 397 E N 0.040 120.199 120.200 -0.068 0.000 2.038 397 E HA -0.289 4.061 4.350 -0.001 0.000 0.195 397 E C 2.047 178.512 176.600 -0.225 0.000 1.000 397 E CA 1.665 57.989 56.400 -0.127 0.000 0.803 397 E CB -0.262 29.348 29.700 -0.149 0.000 0.750 397 E HN 0.511 nan 8.360 nan 0.000 0.448 398 D N 0.122 120.413 120.400 -0.183 0.000 2.104 398 D HA -0.123 4.517 4.640 -0.001 0.000 0.194 398 D C 1.776 178.031 176.300 -0.076 0.000 0.994 398 D CA 1.491 55.392 54.000 -0.164 0.000 0.830 398 D CB -0.126 40.617 40.800 -0.096 0.000 0.959 398 D HN 0.165 nan 8.370 nan 0.000 0.452 399 A N -0.389 122.407 122.820 -0.040 0.000 2.167 399 A HA 0.010 4.330 4.320 -0.001 0.000 0.214 399 A C 2.012 179.611 177.584 0.025 0.000 1.151 399 A CA 0.425 52.460 52.037 -0.003 0.000 0.735 399 A CB -0.339 18.657 19.000 -0.007 0.000 0.802 399 A HN 0.311 nan 8.150 nan 0.000 0.467 400 L N -0.721 120.524 121.223 0.036 0.000 2.068 400 L HA -0.054 4.285 4.340 -0.001 0.000 0.204 400 L C 2.226 179.195 176.870 0.165 0.000 1.076 400 L CA 1.982 56.874 54.840 0.087 0.000 0.753 400 L CB -0.819 41.298 42.059 0.097 0.000 0.910 400 L HN 0.562 nan 8.230 nan 0.000 0.439 401 H N -1.084 117.985 119.070 -0.002 0.000 2.352 401 H HA -0.128 4.427 4.556 -0.001 0.000 0.299 401 H C 2.061 177.390 175.328 0.002 0.000 1.097 401 H CA 0.874 56.922 56.048 -0.001 0.000 1.311 401 H CB 0.082 29.843 29.762 -0.001 0.000 1.377 401 H HN 0.521 nan 8.280 nan 0.000 0.504 402 A N 0.502 123.403 122.820 0.136 0.000 1.902 402 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 402 A C 2.462 180.075 177.584 0.048 0.000 1.181 402 A CA 1.951 54.031 52.037 0.071 0.000 0.623 402 A CB -0.743 18.284 19.000 0.045 0.000 0.818 402 A HN 0.323 nan 8.150 nan 0.000 0.443 403 T N -0.764 113.818 114.554 0.047 0.000 2.812 403 T HA -0.091 4.259 4.350 -0.001 0.000 0.264 403 T C 2.111 176.827 174.700 0.026 0.000 1.042 403 T CA 1.553 63.671 62.100 0.031 0.000 1.140 403 T CB -0.200 68.684 68.868 0.027 0.000 0.870 403 T HN 0.509 nan 8.240 nan 0.000 0.445 404 R N 2.028 122.546 120.500 0.030 0.000 2.091 404 R HA 0.057 4.396 4.340 -0.001 0.000 0.238 404 R C 2.312 178.615 176.300 0.006 0.000 1.136 404 R CA 1.843 57.950 56.100 0.012 0.000 0.959 404 R CB -0.978 29.320 30.300 -0.003 0.000 0.856 404 R HN 0.328 nan 8.270 nan 0.000 0.437 405 A N 0.092 122.919 122.820 0.013 0.000 1.930 405 A HA 0.029 4.348 4.320 -0.001 0.000 0.217 405 A C 2.363 179.956 177.584 0.015 0.000 1.175 405 A CA 1.614 53.658 52.037 0.012 0.000 0.627 405 A CB -0.948 18.066 19.000 0.022 0.000 0.815 405 A HN 0.502 nan 8.150 nan 0.000 0.443 406 A N -0.554 122.276 122.820 0.018 0.000 1.898 406 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 406 A C 2.197 179.788 177.584 0.012 0.000 1.181 406 A CA 1.670 53.716 52.037 0.015 0.000 0.620 406 A CB -0.942 18.068 19.000 0.016 0.000 0.819 406 A HN 0.370 nan 8.150 nan 0.000 0.442 407 V N 1.318 121.238 119.914 0.011 0.000 2.392 407 V HA -0.291 3.828 4.120 -0.001 0.000 0.249 407 V C 2.553 178.651 176.094 0.007 0.000 1.059 407 V CA 2.396 64.701 62.300 0.008 0.000 1.051 407 V CB -0.878 30.949 31.823 0.007 0.000 0.658 407 V HN 0.908 nan 8.190 nan 0.000 0.455 408 E N -0.541 119.663 120.200 0.006 0.000 2.250 408 E HA -0.089 4.261 4.350 -0.001 0.000 0.192 408 E C 1.494 178.097 176.600 0.006 0.000 0.986 408 E CA 0.979 57.381 56.400 0.005 0.000 0.849 408 E CB 0.007 29.709 29.700 0.002 0.000 0.797 408 E HN 0.660 nan 8.360 nan 0.000 0.482 409 E N 0.200 120.405 120.200 0.008 0.000 2.639 409 E HA 0.217 4.566 4.350 -0.001 0.000 0.225 409 E C 0.373 176.980 176.600 0.010 0.000 0.921 409 E CA 0.143 56.548 56.400 0.009 0.000 1.184 409 E CB 1.597 31.303 29.700 0.010 0.000 1.160 409 E HN 0.298 nan 8.360 nan 0.000 0.547 410 G N 1.270 110.076 108.800 0.011 0.000 2.627 410 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.214 410 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.214 410 G C -0.500 174.409 174.900 0.014 0.000 1.331 410 G CA -0.463 44.644 45.100 0.012 0.000 0.891 410 G HN 0.471 nan 8.290 nan 0.000 0.539 411 V N -2.590 117.332 119.914 0.014 0.000 2.789 411 V HA 0.949 5.069 4.120 -0.001 0.000 0.311 411 V C 0.553 176.657 176.094 0.016 0.000 1.073 411 V CA 0.021 62.330 62.300 0.015 0.000 0.921 411 V CB 1.103 32.934 31.823 0.013 0.000 1.009 411 V HN 2.355 nan 8.190 nan 0.000 0.426 412 V N 0.420 120.345 119.914 0.018 0.000 3.158 412 V HA 1.032 5.152 4.120 -0.001 0.000 0.315 412 V C 0.612 176.717 176.094 0.019 0.000 1.148 412 V CA -0.627 61.686 62.300 0.021 0.000 1.042 412 V CB 1.412 33.249 31.823 0.023 0.000 1.101 412 V HN 1.891 nan 8.190 nan 0.000 0.448 413 A N 0.707 123.542 122.820 0.024 0.000 2.477 413 A HA 0.663 4.983 4.320 -0.001 0.000 0.246 413 A C 0.845 178.437 177.584 0.015 0.000 1.078 413 A CA 0.527 52.575 52.037 0.019 0.000 0.770 413 A CB -0.374 18.644 19.000 0.030 0.000 1.011 413 A HN 1.851 nan 8.150 nan 0.000 0.494 414 G N 0.509 109.310 108.800 0.002 0.000 2.494 414 G HA2 0.495 4.455 3.960 -0.001 0.000 0.270 414 G HA3 0.495 4.455 3.960 -0.001 0.000 0.270 414 G C 1.143 176.045 174.900 0.004 0.000 1.423 414 G CA 0.016 45.116 45.100 0.001 0.000 1.055 414 G HN 2.233 nan 8.290 nan 0.000 0.536 415 G N -1.825 106.977 108.800 0.003 0.000 2.296 415 G HA2 0.199 4.159 3.960 -0.001 0.000 0.282 415 G HA3 0.199 4.159 3.960 -0.001 0.000 0.282 415 G C 1.457 176.377 174.900 0.033 0.000 1.014 415 G CA 1.249 46.358 45.100 0.015 0.000 0.812 415 G HN 2.433 nan 8.290 nan 0.000 0.508 416 G N -2.371 106.446 108.800 0.029 0.000 2.203 416 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.263 416 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.263 416 G C 1.622 176.548 174.900 0.043 0.000 1.012 416 G CA 1.781 46.901 45.100 0.034 0.000 0.749 416 G HN 2.241 nan 8.290 nan 0.000 0.512 417 V N -3.220 116.722 119.914 0.047 0.000 2.878 417 V HA 0.475 4.595 4.120 -0.001 0.000 0.250 417 V C 2.684 178.813 176.094 0.057 0.000 1.075 417 V CA 1.591 63.928 62.300 0.061 0.000 1.096 417 V CB -0.384 31.483 31.823 0.073 0.000 0.724 417 V HN 1.250 nan 8.190 nan 0.000 0.467 418 A N 1.131 123.978 122.820 0.045 0.000 1.883 418 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 418 A C 2.231 179.838 177.584 0.038 0.000 1.186 418 A CA 2.369 54.431 52.037 0.041 0.000 0.624 418 A CB -0.801 18.219 19.000 0.033 0.000 0.822 418 A HN 0.583 nan 8.150 nan 0.000 0.444 419 L N -0.828 120.416 121.223 0.035 0.000 2.042 419 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 419 L C 2.533 179.422 176.870 0.033 0.000 1.076 419 L CA 1.318 56.176 54.840 0.031 0.000 0.749 419 L CB -0.414 41.662 42.059 0.029 0.000 0.893 419 L HN 0.405 nan 8.230 nan 0.000 0.432 420 I N -0.786 119.807 120.570 0.040 0.000 2.252 420 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 420 I C 2.792 178.935 176.117 0.044 0.000 1.102 420 I CA 0.771 62.096 61.300 0.042 0.000 1.385 420 I CB -0.110 37.920 38.000 0.050 0.000 1.064 420 I HN 0.212 nan 8.210 nan 0.000 0.414 421 R N 0.907 121.439 120.500 0.053 0.000 2.082 421 R HA -0.160 4.179 4.340 -0.001 0.000 0.234 421 R C 2.121 178.444 176.300 0.038 0.000 1.136 421 R CA 1.959 58.091 56.100 0.054 0.000 0.935 421 R CB -1.044 29.294 30.300 0.063 0.000 0.842 421 R HN 0.117 nan 8.270 nan 0.000 0.430 422 V N 0.885 120.819 119.914 0.033 0.000 2.469 422 V HA -0.250 3.869 4.120 -0.001 0.000 0.251 422 V C 2.300 178.406 176.094 0.021 0.000 1.064 422 V CA 1.986 64.301 62.300 0.025 0.000 1.066 422 V CB -0.834 31.002 31.823 0.022 0.000 0.667 422 V HN 0.604 nan 8.190 nan 0.000 0.461 423 A N 0.421 123.254 122.820 0.022 0.000 1.898 423 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 423 A C 2.514 180.109 177.584 0.017 0.000 1.181 423 A CA 2.000 54.048 52.037 0.018 0.000 0.620 423 A CB -0.744 18.268 19.000 0.019 0.000 0.819 423 A HN 0.690 nan 8.150 nan 0.000 0.442 424 S N -0.483 115.230 115.700 0.021 0.000 2.442 424 S HA -0.105 4.364 4.470 -0.001 0.000 0.236 424 S C 1.486 176.094 174.600 0.014 0.000 1.007 424 S CA 1.330 59.541 58.200 0.018 0.000 0.965 424 S CB -0.176 63.038 63.200 0.023 0.000 0.773 424 S HN 0.351 nan 8.310 nan 0.000 0.504 425 K N 1.091 121.499 120.400 0.015 0.000 2.487 425 K HA 0.340 4.660 4.320 -0.001 0.000 0.192 425 K C 0.813 177.419 176.600 0.009 0.000 1.027 425 K CA 0.260 56.554 56.287 0.011 0.000 1.054 425 K CB -0.352 32.156 32.500 0.013 0.000 0.824 425 K HN 0.491 nan 8.250 nan 0.000 0.510 426 L N -0.297 120.931 121.223 0.009 0.000 3.110 426 L HA 0.293 4.633 4.340 -0.001 0.000 0.266 426 L C 1.404 178.278 176.870 0.006 0.000 1.257 426 L CA -0.200 54.644 54.840 0.007 0.000 1.038 426 L CB 0.271 42.334 42.059 0.007 0.000 1.395 426 L HN -0.128 nan 8.230 nan 0.000 0.566 427 A N -0.280 122.543 122.820 0.006 0.000 2.070 427 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 427 A C 1.567 179.153 177.584 0.003 0.000 1.159 427 A CA 1.570 53.609 52.037 0.005 0.000 0.656 427 A CB -0.170 18.833 19.000 0.004 0.000 0.800 427 A HN 0.340 nan 8.150 nan 0.000 0.453 428 D N -1.293 119.109 120.400 0.003 0.000 2.360 428 D HA 0.150 4.790 4.640 -0.001 0.000 0.210 428 D C 0.318 176.619 176.300 0.002 0.000 1.047 428 D CA -0.187 53.814 54.000 0.002 0.000 0.854 428 D CB -0.099 40.702 40.800 0.001 0.000 0.936 428 D HN 0.337 nan 8.370 nan 0.000 0.514 429 L N 1.706 122.930 121.223 0.002 0.000 2.490 429 L HA 0.108 4.447 4.340 -0.001 0.000 0.274 429 L C 0.093 176.965 176.870 0.002 0.000 1.201 429 L CA 0.640 55.481 54.840 0.002 0.000 0.869 429 L CB 0.194 42.255 42.059 0.002 0.000 1.123 429 L HN -0.215 nan 8.230 nan 0.000 0.484 430 R N 2.994 123.495 120.500 0.001 0.000 2.808 430 R HA 0.671 5.011 4.340 -0.001 0.000 0.272 430 R C -0.211 176.089 176.300 0.001 0.000 0.995 430 R CA -0.338 55.762 56.100 0.001 0.000 0.917 430 R CB 1.502 31.802 30.300 0.001 0.000 1.217 430 R HN 0.808 nan 8.270 nan 0.000 0.471 431 G N 0.051 108.852 108.800 0.001 0.000 2.828 431 G HA2 0.262 4.222 3.960 -0.001 0.000 0.244 431 G HA3 0.262 4.222 3.960 -0.001 0.000 0.244 431 G C 0.001 174.902 174.900 0.001 0.000 1.365 431 G CA -0.158 44.942 45.100 0.001 0.000 1.041 431 G HN 0.342 nan 8.290 nan 0.000 0.560 432 Q N -0.765 119.036 119.800 0.001 0.000 2.269 432 Q HA 0.156 4.496 4.340 -0.001 0.000 0.201 432 Q C 0.430 176.430 176.000 0.001 0.000 0.946 432 Q CA 0.882 56.685 55.803 0.001 0.000 0.877 432 Q CB 0.187 28.925 28.738 0.001 0.000 0.963 432 Q HN 0.674 nan 8.270 nan 0.000 0.472 433 N N -2.283 116.417 118.700 0.001 0.000 2.831 433 N HA 0.137 4.877 4.740 -0.001 0.000 0.276 433 N C 0.057 175.568 175.510 0.002 0.000 1.416 433 N CA -0.575 52.476 53.050 0.002 0.000 0.799 433 N CB 0.389 38.877 38.487 0.002 0.000 1.554 433 N HN -0.274 nan 8.380 nan 0.000 0.541 434 E N -0.454 119.747 120.200 0.002 0.000 2.150 434 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 434 E C 0.356 176.957 176.600 0.002 0.000 0.985 434 E CA 1.483 57.884 56.400 0.002 0.000 0.814 434 E CB -0.344 29.357 29.700 0.002 0.000 0.752 434 E HN 0.598 nan 8.360 nan 0.000 0.466 435 D N 0.104 120.506 120.400 0.003 0.000 2.144 435 D HA -0.138 4.501 4.640 -0.001 0.000 0.199 435 D C 1.815 178.117 176.300 0.004 0.000 0.984 435 D CA 0.895 54.897 54.000 0.003 0.000 0.834 435 D CB -0.163 40.640 40.800 0.004 0.000 0.955 435 D HN 0.372 nan 8.370 nan 0.000 0.465 436 Q N 0.068 119.870 119.800 0.003 0.000 2.119 436 Q HA -0.083 4.257 4.340 -0.001 0.000 0.201 436 Q C 1.743 177.745 176.000 0.003 0.000 0.972 436 Q CA 0.679 56.484 55.803 0.003 0.000 0.847 436 Q CB -0.014 28.725 28.738 0.002 0.000 0.903 436 Q HN 0.236 nan 8.270 nan 0.000 0.433 437 N N 0.217 118.919 118.700 0.003 0.000 2.120 437 N HA -0.124 4.616 4.740 -0.001 0.000 0.188 437 N C 1.864 177.375 175.510 0.003 0.000 1.024 437 N CA 0.984 54.036 53.050 0.003 0.000 0.852 437 N CB -0.388 38.100 38.487 0.002 0.000 1.003 437 N HN 0.026 nan 8.380 nan 0.000 0.424 438 V N 0.759 120.676 119.914 0.003 0.000 2.343 438 V HA -0.144 3.975 4.120 -0.001 0.000 0.247 438 V C 2.415 178.512 176.094 0.005 0.000 1.051 438 V CA 1.957 64.260 62.300 0.004 0.000 1.036 438 V CB -1.289 30.537 31.823 0.004 0.000 0.654 438 V HN 0.351 nan 8.190 nan 0.000 0.451 439 G N 0.065 108.867 108.800 0.005 0.000 2.469 439 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.219 439 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.219 439 G C 1.562 176.465 174.900 0.005 0.000 1.150 439 G CA 1.224 46.327 45.100 0.005 0.000 0.763 439 G HN 0.500 nan 8.290 nan 0.000 0.561 440 I N 0.216 120.789 120.570 0.004 0.000 2.202 440 I HA -0.128 4.042 4.170 -0.001 0.000 0.242 440 I C 2.743 178.863 176.117 0.005 0.000 1.091 440 I CA 1.028 62.331 61.300 0.004 0.000 1.368 440 I CB -0.137 37.865 38.000 0.003 0.000 1.058 440 I HN 0.004 nan 8.210 nan 0.000 0.410 441 K N 0.611 121.014 120.400 0.005 0.000 2.057 441 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 441 K C 2.169 178.773 176.600 0.007 0.000 1.049 441 K CA 1.001 57.291 56.287 0.006 0.000 0.931 441 K CB -0.733 31.770 32.500 0.005 0.000 0.714 441 K HN 0.194 nan 8.250 nan 0.000 0.440 442 V N 1.758 121.676 119.914 0.007 0.000 2.287 442 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 442 V C 2.478 178.578 176.094 0.009 0.000 1.053 442 V CA 2.131 64.436 62.300 0.008 0.000 1.027 442 V CB -0.750 31.077 31.823 0.008 0.000 0.646 442 V HN 0.329 nan 8.190 nan 0.000 0.447 443 A N -0.654 122.171 122.820 0.008 0.000 1.930 443 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 443 A C 2.180 179.770 177.584 0.010 0.000 1.175 443 A CA 1.647 53.690 52.037 0.009 0.000 0.627 443 A CB -0.464 18.540 19.000 0.007 0.000 0.815 443 A HN 0.516 nan 8.150 nan 0.000 0.443 444 L N -1.191 120.038 121.223 0.009 0.000 2.093 444 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 444 L C 2.842 179.719 176.870 0.012 0.000 1.085 444 L CA 1.435 56.281 54.840 0.010 0.000 0.755 444 L CB -0.466 41.599 42.059 0.009 0.000 0.904 444 L HN 0.346 nan 8.230 nan 0.000 0.435 445 R N 0.144 120.650 120.500 0.011 0.000 2.075 445 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 445 R C 2.468 178.775 176.300 0.013 0.000 1.126 445 R CA 1.209 57.315 56.100 0.011 0.000 0.963 445 R CB -0.580 29.726 30.300 0.009 0.000 0.858 445 R HN 0.306 nan 8.270 nan 0.000 0.435 446 A N 1.183 124.011 122.820 0.013 0.000 1.986 446 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 446 A C 2.091 179.686 177.584 0.017 0.000 1.171 446 A CA 1.546 53.592 52.037 0.015 0.000 0.640 446 A CB -0.522 18.487 19.000 0.015 0.000 0.811 446 A HN 0.236 nan 8.150 nan 0.000 0.451 447 M N -0.815 118.796 119.600 0.017 0.000 2.476 447 M HA -0.100 4.380 4.480 -0.001 0.000 0.262 447 M C 1.552 177.865 176.300 0.022 0.000 1.079 447 M CA 1.087 56.399 55.300 0.020 0.000 1.104 447 M CB -0.330 32.282 32.600 0.019 0.000 1.409 447 M HN 0.460 nan 8.290 nan 0.000 0.467 448 E N 0.715 120.927 120.200 0.019 0.000 2.358 448 E HA -0.032 4.318 4.350 -0.001 0.000 0.195 448 E C 2.142 178.752 176.600 0.018 0.000 1.010 448 E CA 0.603 57.014 56.400 0.019 0.000 0.856 448 E CB -0.035 29.675 29.700 0.016 0.000 0.795 448 E HN 0.498 nan 8.360 nan 0.000 0.504 449 A N 2.523 125.353 122.820 0.017 0.000 1.869 449 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 449 A C -0.259 177.335 177.584 0.017 0.000 1.203 449 A CA 1.615 53.661 52.037 0.016 0.000 0.638 449 A CB -1.621 17.388 19.000 0.016 0.000 0.831 449 A HN 0.145 nan 8.150 nan 0.000 0.450 450 P HA -0.163 nan 4.420 nan 0.000 0.214 450 P C 1.854 179.168 177.300 0.024 0.000 1.163 450 P CA 1.147 64.261 63.100 0.022 0.000 0.883 450 P CB -0.155 31.560 31.700 0.025 0.000 0.788 451 L N -0.780 120.460 121.223 0.028 0.000 2.012 451 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 451 L C 2.516 179.399 176.870 0.022 0.000 1.073 451 L CA 1.759 56.619 54.840 0.034 0.000 0.748 451 L CB -0.334 41.749 42.059 0.041 0.000 0.891 451 L HN -0.189 nan 8.230 nan 0.000 0.431 452 R N -0.880 119.627 120.500 0.013 0.000 2.091 452 R HA -0.236 4.103 4.340 -0.001 0.000 0.238 452 R C 2.313 178.615 176.300 0.005 0.000 1.136 452 R CA 1.687 57.789 56.100 0.003 0.000 0.959 452 R CB -0.370 29.932 30.300 0.003 0.000 0.856 452 R HN 0.391 nan 8.270 nan 0.000 0.437 453 Q N 1.090 120.896 119.800 0.011 0.000 2.046 453 Q HA -0.085 4.255 4.340 -0.001 0.000 0.200 453 Q C 1.868 177.877 176.000 0.015 0.000 0.975 453 Q CA 1.575 57.385 55.803 0.011 0.000 0.836 453 Q CB -0.160 28.585 28.738 0.013 0.000 0.896 453 Q HN 0.332 nan 8.270 nan 0.000 0.428 454 I N -0.673 119.910 120.570 0.023 0.000 2.163 454 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 454 I C 2.077 178.218 176.117 0.040 0.000 1.085 454 I CA 0.965 62.284 61.300 0.032 0.000 1.347 454 I CB -0.367 37.659 38.000 0.043 0.000 1.044 454 I HN 0.046 nan 8.210 nan 0.000 0.408 455 V N 0.624 120.557 119.914 0.032 0.000 2.343 455 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 455 V C 2.409 178.506 176.094 0.005 0.000 1.051 455 V CA 1.711 64.019 62.300 0.012 0.000 1.036 455 V CB -0.578 31.213 31.823 -0.053 0.000 0.654 455 V HN 0.355 nan 8.190 nan 0.000 0.451 456 L N 0.854 122.078 121.223 0.002 0.000 2.046 456 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 456 L C 2.212 179.087 176.870 0.008 0.000 1.077 456 L CA 1.962 56.802 54.840 0.001 0.000 0.747 456 L CB -0.846 41.213 42.059 0.001 0.000 0.896 456 L HN 0.327 nan 8.230 nan 0.000 0.432 457 N N -1.035 117.673 118.700 0.013 0.000 2.166 457 N HA -0.171 4.568 4.740 -0.001 0.000 0.186 457 N C 1.759 177.280 175.510 0.019 0.000 1.019 457 N CA 1.712 54.770 53.050 0.014 0.000 0.856 457 N CB -0.905 37.590 38.487 0.014 0.000 0.993 457 N HN 0.411 nan 8.380 nan 0.000 0.426 458 C N -0.132 119.187 119.300 0.031 0.000 2.491 458 C HA 0.205 4.665 4.460 -0.001 0.000 0.277 458 C C 1.546 176.556 174.990 0.033 0.000 1.455 458 C CA 0.325 59.368 59.018 0.042 0.000 1.758 458 C CB -1.469 26.322 27.740 0.085 0.000 1.745 458 C HN 0.644 nan 8.230 nan 0.000 0.558 459 G N 1.206 110.018 108.800 0.020 0.000 2.212 459 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.255 459 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.255 459 G C -0.353 174.552 174.900 0.008 0.000 1.062 459 G CA 0.113 45.220 45.100 0.012 0.000 0.815 459 G HN 0.552 nan 8.290 nan 0.000 0.497 460 E N -0.267 119.933 120.200 -0.000 0.000 2.320 460 E HA 0.407 4.757 4.350 -0.001 0.000 0.264 460 E C -0.073 176.505 176.600 -0.037 0.000 0.923 460 E CA -0.924 55.463 56.400 -0.021 0.000 0.796 460 E CB 1.067 30.741 29.700 -0.044 0.000 1.262 460 E HN 0.444 nan 8.360 nan 0.000 0.428 461 E N 1.984 122.157 120.200 -0.046 0.000 2.220 461 E HA 0.061 4.410 4.350 -0.001 0.000 0.272 461 E C -1.646 174.918 176.600 -0.060 0.000 1.099 461 E CA -1.417 54.958 56.400 -0.042 0.000 0.907 461 E CB 0.615 30.294 29.700 -0.034 0.000 1.022 461 E HN 0.111 nan 8.360 nan 0.000 0.428 462 P HA -0.158 nan 4.420 nan 0.000 0.218 462 P C 0.876 178.150 177.300 -0.042 0.000 1.148 462 P CA 1.060 64.133 63.100 -0.044 0.000 0.822 462 P CB 0.384 32.071 31.700 -0.023 0.000 0.784 463 S N -0.966 114.715 115.700 -0.032 0.000 2.371 463 S HA -0.072 4.397 4.470 -0.001 0.000 0.224 463 S C 1.980 176.562 174.600 -0.029 0.000 1.029 463 S CA 0.964 59.150 58.200 -0.024 0.000 0.978 463 S CB -1.067 62.123 63.200 -0.016 0.000 0.833 463 S HN -0.046 nan 8.310 nan 0.000 0.466 464 V N 1.514 121.404 119.914 -0.040 0.000 2.295 464 V HA -0.131 3.989 4.120 -0.001 0.000 0.246 464 V C 2.301 178.360 176.094 -0.057 0.000 1.049 464 V CA 1.442 63.718 62.300 -0.041 0.000 1.024 464 V CB -0.708 31.090 31.823 -0.042 0.000 0.648 464 V HN 0.317 nan 8.190 nan 0.000 0.447 465 V N 0.155 120.003 119.914 -0.110 0.000 2.307 465 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 465 V C 2.733 178.793 176.094 -0.056 0.000 1.045 465 V CA 1.894 64.095 62.300 -0.164 0.000 1.024 465 V CB -1.127 30.470 31.823 -0.377 0.000 0.651 465 V HN 0.546 nan 8.190 nan 0.000 0.449 466 A N 0.449 123.245 122.820 -0.040 0.000 1.892 466 A HA -0.360 3.960 4.320 -0.001 0.000 0.218 466 A C 2.050 179.645 177.584 0.018 0.000 1.188 466 A CA 2.653 54.690 52.037 0.001 0.000 0.631 466 A CB -1.018 17.980 19.000 -0.002 0.000 0.822 466 A HN 0.623 nan 8.150 nan 0.000 0.447 467 N N -0.616 118.087 118.700 0.006 0.000 2.061 467 N HA -0.148 4.591 4.740 -0.001 0.000 0.193 467 N C 1.714 177.239 175.510 0.025 0.000 1.030 467 N CA 2.520 55.576 53.050 0.010 0.000 0.856 467 N CB -0.401 38.086 38.487 -0.001 0.000 1.023 467 N HN 0.503 nan 8.380 nan 0.000 0.424 468 T N -0.832 113.743 114.554 0.034 0.000 2.777 468 T HA -0.058 4.292 4.350 -0.001 0.000 0.266 468 T C 2.029 176.806 174.700 0.129 0.000 1.040 468 T CA 1.195 63.329 62.100 0.057 0.000 1.141 468 T CB -0.518 68.385 68.868 0.059 0.000 0.868 468 T HN 0.012 nan 8.240 nan 0.000 0.444 469 V N 1.739 121.746 119.914 0.155 0.000 2.358 469 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 469 V C 2.532 178.717 176.094 0.153 0.000 1.047 469 V CA 1.403 63.827 62.300 0.207 0.000 1.035 469 V CB -0.536 31.388 31.823 0.168 0.000 0.658 469 V HN 0.460 nan 8.190 nan 0.000 0.452 470 K N 0.411 120.865 120.400 0.090 0.000 2.211 470 K HA -0.111 4.208 4.320 -0.001 0.000 0.204 470 K C 1.899 178.525 176.600 0.044 0.000 1.047 470 K CA 1.427 57.749 56.287 0.059 0.000 0.935 470 K CB -0.426 32.096 32.500 0.036 0.000 0.728 470 K HN 0.572 nan 8.250 nan 0.000 0.452 471 G N 0.773 109.595 108.800 0.037 0.000 3.181 471 G HA2 0.099 4.059 3.960 -0.001 0.000 0.219 471 G HA3 0.099 4.059 3.960 -0.001 0.000 0.219 471 G C 0.410 175.283 174.900 -0.046 0.000 1.182 471 G CA 0.004 45.100 45.100 -0.007 0.000 0.791 471 G HN 0.266 nan 8.290 nan 0.000 0.537 472 G N -0.847 107.962 108.800 0.015 0.000 2.552 472 G HA2 0.532 4.492 3.960 -0.001 0.000 0.318 472 G HA3 0.532 4.492 3.960 -0.001 0.000 0.318 472 G C -1.468 173.431 174.900 -0.001 0.000 1.240 472 G CA -0.464 44.605 45.100 -0.052 0.000 1.002 472 G HN 0.018 nan 8.290 nan 0.000 0.493 473 D N -1.489 118.907 120.400 -0.008 0.000 2.575 473 D HA 0.521 5.161 4.640 -0.001 0.000 0.236 473 D C 1.086 177.437 176.300 0.086 0.000 1.075 473 D CA 0.735 54.750 54.000 0.024 0.000 0.860 473 D CB 1.931 42.716 40.800 -0.025 0.000 1.475 473 D HN 0.746 nan 8.370 nan 0.000 0.474 474 G N 3.236 112.076 108.800 0.067 0.000 2.774 474 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.342 474 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.342 474 G C 0.384 175.341 174.900 0.094 0.000 1.185 474 G CA 0.669 45.811 45.100 0.070 0.000 0.956 474 G HN 0.617 nan 8.290 nan 0.000 0.561 475 N N -0.147 118.618 118.700 0.108 0.000 2.610 475 N HA 0.466 5.205 4.740 -0.001 0.000 0.309 475 N C -0.833 174.773 175.510 0.160 0.000 1.536 475 N CA -0.173 52.942 53.050 0.108 0.000 0.954 475 N CB 0.658 39.186 38.487 0.068 0.000 1.310 475 N HN 0.559 nan 8.380 nan 0.000 0.502 476 Y N 0.308 120.649 120.300 0.069 0.000 2.335 476 Y HA 0.738 5.287 4.550 -0.001 0.000 0.338 476 Y C 0.266 176.258 175.900 0.153 0.000 0.977 476 Y CA -0.476 57.690 58.100 0.109 0.000 1.114 476 Y CB 0.870 39.386 38.460 0.094 0.000 1.182 476 Y HN 0.097 nan 8.280 nan 0.000 0.463 477 G N 3.456 112.125 108.800 -0.219 0.000 2.561 477 G HA2 0.122 4.081 3.960 -0.001 0.000 0.310 477 G HA3 0.122 4.081 3.960 -0.001 0.000 0.310 477 G C -2.489 172.341 174.900 -0.116 0.000 1.292 477 G CA -0.992 44.087 45.100 -0.034 0.000 0.811 477 G HN 0.514 nan 8.290 nan 0.000 0.482 478 Y N 1.837 122.045 120.300 -0.155 0.000 2.452 478 Y HA 0.476 5.026 4.550 -0.000 0.000 0.348 478 Y C 0.488 176.205 175.900 -0.305 0.000 0.985 478 Y CA -1.156 56.744 58.100 -0.333 0.000 1.214 478 Y CB 0.840 39.226 38.460 -0.123 0.000 1.136 478 Y HN 0.416 nan 8.280 nan 0.000 0.523 479 N N 4.843 122.992 118.700 -0.919 0.000 2.421 479 N HA 0.098 4.838 4.740 -0.001 0.000 0.260 479 N C 0.351 175.321 175.510 -0.901 0.000 1.173 479 N CA 0.515 53.138 53.050 -0.712 0.000 0.960 479 N CB 0.776 38.921 38.487 -0.570 0.000 1.273 479 N HN 0.761 nan 8.380 nan 0.000 0.497 480 A N 2.892 125.397 122.820 -0.524 0.000 2.235 480 A HA 0.239 4.558 4.320 -0.001 0.000 0.208 480 A C 1.680 179.155 177.584 -0.182 0.000 1.172 480 A CA 0.951 52.816 52.037 -0.287 0.000 0.786 480 A CB -0.215 18.782 19.000 -0.004 0.000 0.804 480 A HN 0.688 nan 8.150 nan 0.000 0.479 481 A N -0.698 121.992 122.820 -0.216 0.000 1.944 481 A HA 0.179 4.498 4.320 -0.001 0.000 0.207 481 A C 1.907 179.408 177.584 -0.139 0.000 1.265 481 A CA 1.656 53.610 52.037 -0.138 0.000 0.712 481 A CB -0.264 18.667 19.000 -0.114 0.000 0.915 481 A HN 0.656 nan 8.150 nan 0.000 0.470 482 T N -2.649 111.792 114.554 -0.188 0.000 3.145 482 T HA 0.374 4.724 4.350 -0.001 0.000 0.281 482 T C -0.290 174.291 174.700 -0.199 0.000 1.003 482 T CA 0.467 62.474 62.100 -0.154 0.000 0.901 482 T CB -0.240 68.558 68.868 -0.118 0.000 1.112 482 T HN 0.473 nan 8.240 nan 0.000 0.535 483 E N 0.669 120.664 120.200 -0.343 0.000 2.252 483 E HA -0.166 4.183 4.350 -0.001 0.000 0.199 483 E C -0.280 176.105 176.600 -0.358 0.000 1.352 483 E CA 0.461 56.617 56.400 -0.408 0.000 0.682 483 E CB -1.468 28.175 29.700 -0.095 0.000 1.142 483 E HN 0.768 nan 8.360 nan 0.000 0.367 484 E N -0.837 119.028 120.200 -0.558 0.000 2.433 484 E HA 0.699 5.049 4.350 -0.001 0.000 0.264 484 E C -1.201 174.968 176.600 -0.719 0.000 0.960 484 E CA -0.885 55.268 56.400 -0.411 0.000 0.866 484 E CB 1.525 31.111 29.700 -0.189 0.000 1.615 484 E HN 0.153 nan 8.360 nan 0.000 0.442 485 Y N -1.094 119.126 120.300 -0.133 0.000 2.479 485 Y HA 0.629 5.178 4.550 -0.001 0.000 0.338 485 Y C 0.335 176.187 175.900 -0.079 0.000 1.055 485 Y CA -0.359 57.616 58.100 -0.208 0.000 1.023 485 Y CB 2.556 40.919 38.460 -0.162 0.000 1.287 485 Y HN 0.671 nan 8.280 nan 0.000 0.447 486 G N 1.392 110.228 108.800 0.061 0.000 2.539 486 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.138 486 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.138 486 G C -1.652 173.328 174.900 0.134 0.000 1.148 486 G CA -1.014 44.171 45.100 0.143 0.000 1.057 486 G HN 0.494 nan 8.290 nan 0.000 0.511 487 N N 1.567 120.320 118.700 0.088 0.000 2.415 487 N HA 0.129 4.869 4.740 -0.001 0.000 0.246 487 N C 1.694 177.216 175.510 0.020 0.000 1.078 487 N CA -0.535 52.558 53.050 0.071 0.000 0.942 487 N CB 0.610 39.133 38.487 0.060 0.000 1.140 487 N HN 0.346 nan 8.380 nan 0.000 0.501 488 M N 3.319 122.923 119.600 0.006 0.000 2.116 488 M HA -0.253 4.227 4.480 -0.001 0.000 0.255 488 M C 1.718 178.006 176.300 -0.021 0.000 1.075 488 M CA 1.677 56.958 55.300 -0.030 0.000 1.087 488 M CB -0.527 32.062 32.600 -0.019 0.000 1.340 488 M HN 0.634 nan 8.290 nan 0.000 0.402 489 I N -0.294 120.277 120.570 0.001 0.000 2.202 489 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 489 I C 1.864 177.980 176.117 -0.003 0.000 1.091 489 I CA 1.106 62.407 61.300 0.001 0.000 1.368 489 I CB -0.562 37.445 38.000 0.012 0.000 1.058 489 I HN 0.199 nan 8.210 nan 0.000 0.410 490 D N 1.033 121.435 120.400 0.003 0.000 2.218 490 D HA -0.143 4.496 4.640 -0.001 0.000 0.204 490 D C 1.833 178.127 176.300 -0.010 0.000 0.976 490 D CA 1.216 55.217 54.000 0.001 0.000 0.853 490 D CB -0.080 40.726 40.800 0.011 0.000 0.939 490 D HN 0.458 nan 8.370 nan 0.000 0.481 491 M N -3.002 116.585 119.600 -0.022 0.000 2.549 491 M HA 0.418 4.898 4.480 -0.001 0.000 0.273 491 M C 0.945 177.217 176.300 -0.046 0.000 1.213 491 M CA 0.191 55.468 55.300 -0.038 0.000 0.976 491 M CB 0.686 33.252 32.600 -0.056 0.000 1.457 491 M HN -0.079 nan 8.290 nan 0.000 0.485 492 G N 2.224 111.003 108.800 -0.034 0.000 2.143 492 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.248 492 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.248 492 G C -0.196 174.682 174.900 -0.037 0.000 0.991 492 G CA 0.080 45.161 45.100 -0.031 0.000 0.689 492 G HN 0.625 nan 8.290 nan 0.000 0.522 493 I N 1.044 121.588 120.570 -0.044 0.000 2.388 493 I HA 0.577 4.747 4.170 -0.001 0.000 0.281 493 I C 0.097 176.198 176.117 -0.027 0.000 1.046 493 I CA -0.930 60.342 61.300 -0.046 0.000 1.187 493 I CB 0.692 38.648 38.000 -0.075 0.000 1.351 493 I HN 0.230 nan 8.210 nan 0.000 0.472 494 L N 2.867 124.080 121.223 -0.016 0.000 2.469 494 L HA 0.779 5.119 4.340 -0.001 0.000 0.256 494 L C -1.352 175.520 176.870 0.002 0.000 1.006 494 L CA -0.718 54.120 54.840 -0.003 0.000 0.832 494 L CB 1.630 43.689 42.059 -0.000 0.000 1.421 494 L HN 0.049 nan 8.230 nan 0.000 0.410 495 D N 0.310 120.715 120.400 0.009 0.000 2.457 495 D HA 0.507 5.146 4.640 -0.001 0.000 0.240 495 D C -2.731 173.580 176.300 0.017 0.000 1.041 495 D CA -1.262 52.747 54.000 0.015 0.000 0.861 495 D CB 2.352 43.163 40.800 0.018 0.000 1.394 495 D HN 0.385 nan 8.370 nan 0.000 0.473 496 P HA 0.039 nan 4.420 nan 0.000 0.265 496 P C 0.851 178.164 177.300 0.022 0.000 1.193 496 P CA 0.089 63.201 63.100 0.021 0.000 0.765 496 P CB 0.551 32.267 31.700 0.026 0.000 0.823 497 T N 2.240 116.806 114.554 0.019 0.000 2.759 497 T HA -0.214 4.135 4.350 -0.001 0.000 0.269 497 T C 1.616 176.328 174.700 0.021 0.000 1.042 497 T CA 1.345 63.456 62.100 0.019 0.000 1.140 497 T CB -0.313 68.564 68.868 0.015 0.000 0.864 497 T HN 0.495 nan 8.240 nan 0.000 0.455 498 K N 0.915 121.328 120.400 0.022 0.000 2.063 498 K HA -0.132 4.188 4.320 -0.001 0.000 0.208 498 K C 2.437 179.061 176.600 0.039 0.000 1.048 498 K CA 1.599 57.902 56.287 0.026 0.000 0.928 498 K CB -0.343 32.172 32.500 0.025 0.000 0.713 498 K HN 0.375 nan 8.250 nan 0.000 0.442 499 V N -0.983 118.955 119.914 0.040 0.000 2.453 499 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 499 V C 1.739 177.863 176.094 0.050 0.000 1.048 499 V CA 2.226 64.556 62.300 0.050 0.000 1.049 499 V CB -0.742 31.108 31.823 0.044 0.000 0.672 499 V HN 0.269 nan 8.190 nan 0.000 0.457 500 T N 0.351 114.928 114.554 0.038 0.000 2.777 500 T HA -0.102 4.248 4.350 -0.001 0.000 0.266 500 T C 1.976 176.696 174.700 0.032 0.000 1.040 500 T CA 1.886 64.007 62.100 0.034 0.000 1.141 500 T CB -0.360 68.524 68.868 0.028 0.000 0.868 500 T HN 0.595 nan 8.240 nan 0.000 0.444 501 R N 1.063 121.578 120.500 0.025 0.000 2.070 501 R HA -0.089 4.250 4.340 -0.001 0.000 0.233 501 R C 2.551 178.857 176.300 0.009 0.000 1.137 501 R CA 1.780 57.885 56.100 0.010 0.000 0.945 501 R CB -0.382 29.918 30.300 0.001 0.000 0.845 501 R HN 0.239 nan 8.270 nan 0.000 0.430 502 S N 0.586 116.313 115.700 0.045 0.000 2.368 502 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 502 S C 2.026 176.738 174.600 0.188 0.000 1.030 502 S CA 1.141 59.406 58.200 0.109 0.000 0.999 502 S CB -0.282 63.042 63.200 0.206 0.000 0.844 502 S HN 0.575 nan 8.310 nan 0.000 0.459 503 A N 1.464 124.367 122.820 0.137 0.000 1.883 503 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 503 A C 2.153 179.795 177.584 0.098 0.000 1.186 503 A CA 1.629 53.740 52.037 0.124 0.000 0.624 503 A CB -0.787 18.258 19.000 0.076 0.000 0.822 503 A HN 0.419 nan 8.150 nan 0.000 0.444 504 L N -0.377 120.877 121.223 0.053 0.000 2.027 504 L HA -0.164 4.175 4.340 -0.001 0.000 0.206 504 L C 2.494 179.367 176.870 0.004 0.000 1.074 504 L CA 2.345 57.202 54.840 0.027 0.000 0.745 504 L CB -0.818 41.249 42.059 0.012 0.000 0.898 504 L HN 0.511 nan 8.230 nan 0.000 0.433 505 Q N -1.735 118.037 119.800 -0.047 0.000 2.050 505 Q HA -0.233 4.106 4.340 -0.001 0.000 0.202 505 Q C 2.178 178.088 176.000 -0.150 0.000 0.980 505 Q CA 2.202 57.921 55.803 -0.141 0.000 0.840 505 Q CB -0.335 28.247 28.738 -0.260 0.000 0.898 505 Q HN 0.526 nan 8.270 nan 0.000 0.424 506 Y N 0.013 120.316 120.300 0.005 0.000 2.200 506 Y HA -0.189 4.361 4.550 -0.001 0.000 0.290 506 Y C 2.347 178.250 175.900 0.006 0.000 1.137 506 Y CA 1.003 59.106 58.100 0.005 0.000 1.163 506 Y CB -0.647 37.815 38.460 0.004 0.000 0.988 506 Y HN 0.146 nan 8.280 nan 0.000 0.518 507 A N 0.064 122.974 122.820 0.151 0.000 1.877 507 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 507 A C 2.469 180.088 177.584 0.058 0.000 1.186 507 A CA 2.006 54.096 52.037 0.088 0.000 0.620 507 A CB -1.273 17.766 19.000 0.065 0.000 0.822 507 A HN 0.395 nan 8.150 nan 0.000 0.443 508 A N -0.863 121.979 122.820 0.036 0.000 1.933 508 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 508 A C 2.456 180.051 177.584 0.019 0.000 1.175 508 A CA 2.132 54.179 52.037 0.018 0.000 0.628 508 A CB -0.977 18.022 19.000 -0.001 0.000 0.814 508 A HN 0.594 nan 8.150 nan 0.000 0.444 509 S N -0.819 114.894 115.700 0.022 0.000 2.359 509 S HA -0.166 4.303 4.470 -0.001 0.000 0.222 509 S C 1.976 176.605 174.600 0.047 0.000 1.038 509 S CA 1.964 60.182 58.200 0.030 0.000 1.051 509 S CB -0.611 62.619 63.200 0.049 0.000 0.944 509 S HN 0.514 nan 8.310 nan 0.000 0.433 510 V N 1.561 121.514 119.914 0.066 0.000 2.453 510 V HA 0.064 4.184 4.120 -0.001 0.000 0.247 510 V C 2.629 178.746 176.094 0.039 0.000 1.048 510 V CA 1.875 64.208 62.300 0.054 0.000 1.049 510 V CB -0.994 30.864 31.823 0.059 0.000 0.672 510 V HN 0.603 nan 8.190 nan 0.000 0.457 511 A N 0.054 122.896 122.820 0.037 0.000 1.933 511 A HA -0.055 4.265 4.320 -0.001 0.000 0.218 511 A C 2.346 179.944 177.584 0.023 0.000 1.175 511 A CA 1.903 53.957 52.037 0.028 0.000 0.628 511 A CB -1.365 17.651 19.000 0.026 0.000 0.814 511 A HN 0.631 nan 8.150 nan 0.000 0.444 512 G N -0.124 108.689 108.800 0.022 0.000 2.418 512 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.217 512 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.217 512 G C 1.546 176.458 174.900 0.019 0.000 1.158 512 G CA 1.063 46.174 45.100 0.018 0.000 0.771 512 G HN 0.441 nan 8.290 nan 0.000 0.545 513 L N -0.372 120.865 121.223 0.023 0.000 2.093 513 L HA 0.001 4.341 4.340 -0.001 0.000 0.208 513 L C 3.069 179.954 176.870 0.024 0.000 1.085 513 L CA 0.876 55.730 54.840 0.024 0.000 0.755 513 L CB -0.288 41.788 42.059 0.027 0.000 0.904 513 L HN 0.230 nan 8.230 nan 0.000 0.435 514 M N -0.697 118.917 119.600 0.025 0.000 2.156 514 M HA -0.163 4.317 4.480 -0.001 0.000 0.264 514 M C 2.286 178.600 176.300 0.022 0.000 1.067 514 M CA 1.698 57.013 55.300 0.025 0.000 1.131 514 M CB -0.179 32.437 32.600 0.026 0.000 1.368 514 M HN 0.172 nan 8.290 nan 0.000 0.416 515 I N 0.010 120.592 120.570 0.020 0.000 2.361 515 I HA -0.231 3.938 4.170 -0.001 0.000 0.251 515 I C 1.818 177.947 176.117 0.019 0.000 1.133 515 I CA 1.436 62.747 61.300 0.018 0.000 1.413 515 I CB -0.308 37.702 38.000 0.016 0.000 1.073 515 I HN 0.378 nan 8.210 nan 0.000 0.424 516 T N -3.290 111.276 114.554 0.020 0.000 3.223 516 T HA 0.158 4.508 4.350 -0.001 0.000 0.259 516 T C 0.495 175.210 174.700 0.025 0.000 1.015 516 T CA -0.308 61.805 62.100 0.021 0.000 0.908 516 T CB -0.469 68.410 68.868 0.019 0.000 1.054 516 T HN -0.059 nan 8.240 nan 0.000 0.567 517 T N 2.294 116.864 114.554 0.026 0.000 2.767 517 T HA 0.317 4.666 4.350 -0.001 0.000 0.288 517 T C 0.597 175.317 174.700 0.034 0.000 0.963 517 T CA -0.548 61.569 62.100 0.028 0.000 1.019 517 T CB 1.585 70.469 68.868 0.026 0.000 0.923 517 T HN 0.117 nan 8.240 nan 0.000 0.468 518 E N 0.645 120.872 120.200 0.045 0.000 2.447 518 E HA 0.167 4.516 4.350 -0.001 0.000 0.204 518 E C 0.167 176.814 176.600 0.078 0.000 0.977 518 E CA 0.133 56.577 56.400 0.072 0.000 0.950 518 E CB 0.713 30.468 29.700 0.092 0.000 0.975 518 E HN 0.561 nan 8.360 nan 0.000 0.496 519 C N 0.441 119.751 119.300 0.018 0.000 2.985 519 C HA 0.678 5.137 4.460 -0.001 0.000 0.314 519 C C -1.398 173.542 174.990 -0.083 0.000 1.215 519 C CA -0.585 58.374 59.018 -0.099 0.000 1.414 519 C CB 0.641 28.333 27.740 -0.081 0.000 1.842 519 C HN 0.127 nan 8.230 nan 0.000 0.477 520 M N 5.005 124.533 119.600 -0.120 0.000 2.267 520 M HA 0.522 5.002 4.480 -0.001 0.000 0.289 520 M C -1.197 175.150 176.300 0.079 0.000 1.043 520 M CA -0.485 54.842 55.300 0.045 0.000 0.928 520 M CB 2.075 34.811 32.600 0.227 0.000 1.613 520 M HN 0.375 nan 8.290 nan 0.000 0.450 521 V N 1.564 121.488 119.914 0.017 0.000 2.448 521 V HA 0.769 4.888 4.120 -0.001 0.000 0.295 521 V C -0.204 175.831 176.094 -0.099 0.000 1.025 521 V CA -0.383 61.906 62.300 -0.018 0.000 0.859 521 V CB 1.833 33.637 31.823 -0.032 0.000 0.988 521 V HN 0.944 nan 8.190 nan 0.000 0.431 522 T N 2.059 116.504 114.554 -0.181 0.000 2.812 522 T HA 0.351 4.700 4.350 -0.001 0.000 0.294 522 T C -1.175 173.412 174.700 -0.190 0.000 1.159 522 T CA -0.599 61.338 62.100 -0.272 0.000 1.008 522 T CB 1.953 70.485 68.868 -0.560 0.000 1.289 522 T HN 0.679 nan 8.240 nan 0.000 0.514 523 D N 1.230 121.530 120.400 -0.166 0.000 2.360 523 D HA 0.251 4.891 4.640 -0.001 0.000 0.242 523 D C -0.225 176.017 176.300 -0.097 0.000 1.184 523 D CA -0.265 53.673 54.000 -0.102 0.000 0.930 523 D CB 0.813 41.565 40.800 -0.080 0.000 1.161 523 D HN 0.193 nan 8.370 nan 0.000 0.447 524 L N 2.743 123.937 121.223 -0.047 0.000 2.380 524 L HA 0.210 4.550 4.340 -0.001 0.000 0.273 524 L C -1.393 175.463 176.870 -0.023 0.000 1.138 524 L CA -1.073 53.755 54.840 -0.020 0.000 0.832 524 L CB -0.100 41.958 42.059 -0.001 0.000 1.124 524 L HN 0.279 nan 8.230 nan 0.000 0.454 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 525 P CB 0.000 31.707 31.700 0.012 0.000 0.726