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 1pf9_1_M DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 3 A N 3.442 126.259 122.820 -0.005 0.000 2.450 3 A HA 0.603 4.924 4.320 0.001 0.000 0.255 3 A C 0.352 177.934 177.584 -0.005 0.000 1.096 3 A CA 0.029 52.066 52.037 0.001 0.000 0.778 3 A CB 0.190 19.194 19.000 0.007 0.000 1.031 3 A HN 0.632 nan 8.150 nan 0.000 0.494 4 K N 1.517 121.916 120.400 -0.001 0.000 2.139 4 K HA 0.401 4.721 4.320 0.001 0.000 0.243 4 K C -1.197 175.413 176.600 0.018 0.000 0.983 4 K CA -0.703 55.578 56.287 -0.010 0.000 0.890 4 K CB 1.336 33.824 32.500 -0.020 0.000 1.090 4 K HN 0.685 nan 8.250 nan 0.000 0.445 5 D N 1.202 121.613 120.400 0.019 0.000 2.381 5 D HA 0.268 4.909 4.640 0.001 0.000 0.235 5 D C -1.205 175.206 176.300 0.185 0.000 1.068 5 D CA -0.602 53.463 54.000 0.109 0.000 0.832 5 D CB 1.056 41.939 40.800 0.139 0.000 1.101 5 D HN 0.084 nan 8.370 nan 0.000 0.515 6 V N 4.207 124.208 119.914 0.145 0.000 2.398 6 V HA 0.459 4.580 4.120 0.001 0.000 0.286 6 V C 0.295 176.367 176.094 -0.037 0.000 1.026 6 V CA -0.752 61.572 62.300 0.040 0.000 0.868 6 V CB 1.570 33.369 31.823 -0.039 0.000 0.982 6 V HN 0.379 nan 8.190 nan 0.000 0.443 7 K N 3.142 123.438 120.400 -0.174 0.000 2.316 7 K HA 0.732 5.053 4.320 0.001 0.000 0.251 7 K C -1.592 174.744 176.600 -0.441 0.000 0.934 7 K CA -0.443 55.664 56.287 -0.299 0.000 0.802 7 K CB 1.923 34.065 32.500 -0.598 0.000 1.171 7 K HN 0.493 nan 8.250 nan 0.000 0.426 8 F N 0.717 120.630 119.950 -0.061 0.000 2.522 8 F HA 0.383 4.911 4.527 0.001 0.000 0.324 8 F C 1.311 177.086 175.800 -0.041 0.000 1.077 8 F CA 0.263 58.245 58.000 -0.031 0.000 0.944 8 F CB 1.890 40.880 39.000 -0.017 0.000 1.175 8 F HN 0.818 nan 8.300 nan 0.000 0.468 9 G N 2.353 111.262 108.800 0.183 0.000 2.699 9 G HA2 -0.504 3.456 3.960 0.001 0.000 0.347 9 G HA3 -0.504 3.456 3.960 0.001 0.000 0.347 9 G C 1.218 176.144 174.900 0.043 0.000 1.225 9 G CA 1.487 46.649 45.100 0.103 0.000 0.973 9 G HN 0.678 nan 8.290 nan 0.000 0.551 10 N N 1.090 119.810 118.700 0.033 0.000 2.039 10 N HA -0.023 4.718 4.740 0.001 0.000 0.193 10 N C 1.907 177.402 175.510 -0.025 0.000 1.044 10 N CA 1.861 54.913 53.050 0.004 0.000 0.847 10 N CB -0.360 38.129 38.487 0.003 0.000 1.030 10 N HN 0.555 nan 8.380 nan 0.000 0.422 11 D N 0.525 120.904 120.400 -0.036 0.000 2.230 11 D HA -0.274 4.367 4.640 0.001 0.000 0.189 11 D C 1.816 178.025 176.300 -0.152 0.000 1.006 11 D CA 1.793 55.734 54.000 -0.098 0.000 0.853 11 D CB -0.967 39.764 40.800 -0.115 0.000 0.959 11 D HN 0.346 nan 8.370 nan 0.000 0.449 12 A N 1.012 123.740 122.820 -0.153 0.000 1.896 12 A HA -0.308 4.013 4.320 0.001 0.000 0.220 12 A C 2.221 179.754 177.584 -0.085 0.000 1.206 12 A CA 2.447 54.388 52.037 -0.161 0.000 0.647 12 A CB -0.683 18.261 19.000 -0.095 0.000 0.828 12 A HN 0.220 nan 8.150 nan 0.000 0.455 13 R N -1.164 119.310 120.500 -0.044 0.000 2.090 13 R HA -0.012 4.329 4.340 0.001 0.000 0.228 13 R C 2.113 178.400 176.300 -0.021 0.000 1.110 13 R CA 1.191 57.280 56.100 -0.018 0.000 0.973 13 R CB -0.567 29.730 30.300 -0.004 0.000 0.869 13 R HN 0.416 nan 8.270 nan 0.000 0.440 14 V N 1.754 121.648 119.914 -0.035 0.000 2.255 14 V HA -0.284 3.836 4.120 0.001 0.000 0.247 14 V C 2.262 178.339 176.094 -0.029 0.000 1.051 14 V CA 1.698 63.980 62.300 -0.030 0.000 1.018 14 V CB -0.372 31.430 31.823 -0.036 0.000 0.641 14 V HN 0.195 nan 8.190 nan 0.000 0.445 15 K N -0.514 119.852 120.400 -0.058 0.000 2.034 15 K HA -0.203 4.118 4.320 0.001 0.000 0.214 15 K C 2.112 178.724 176.600 0.019 0.000 1.051 15 K CA 1.866 58.133 56.287 -0.032 0.000 0.931 15 K CB -0.754 31.686 32.500 -0.100 0.000 0.715 15 K HN 0.399 nan 8.250 nan 0.000 0.446 16 M N 0.038 119.650 119.600 0.020 0.000 2.082 16 M HA -0.222 4.259 4.480 0.001 0.000 0.258 16 M C 2.197 178.512 176.300 0.025 0.000 1.069 16 M CA 1.294 56.616 55.300 0.036 0.000 1.102 16 M CB -0.383 32.236 32.600 0.031 0.000 1.336 16 M HN 0.083 nan 8.290 nan 0.000 0.404 17 L N 0.600 121.831 121.223 0.013 0.000 1.970 17 L HA -0.222 4.119 4.340 0.001 0.000 0.212 17 L C 2.420 179.298 176.870 0.012 0.000 1.071 17 L CA 1.953 56.799 54.840 0.011 0.000 0.751 17 L CB -0.659 41.403 42.059 0.005 0.000 0.889 17 L HN 0.182 nan 8.230 nan 0.000 0.432 18 R N -0.421 120.086 120.500 0.011 0.000 2.083 18 R HA -0.144 4.197 4.340 0.001 0.000 0.237 18 R C 2.214 178.524 176.300 0.018 0.000 1.137 18 R CA 1.280 57.388 56.100 0.013 0.000 0.951 18 R CB -1.298 29.009 30.300 0.012 0.000 0.851 18 R HN 0.616 nan 8.270 nan 0.000 0.434 19 G N 1.158 109.973 108.800 0.026 0.000 2.553 19 G HA2 -0.325 3.636 3.960 0.001 0.000 0.218 19 G HA3 -0.325 3.636 3.960 0.001 0.000 0.218 19 G C 1.473 176.386 174.900 0.020 0.000 1.195 19 G CA 1.259 46.376 45.100 0.029 0.000 0.779 19 G HN 0.328 nan 8.290 nan 0.000 0.577 20 V N 0.841 120.766 119.914 0.020 0.000 2.407 20 V HA -0.201 3.920 4.120 0.001 0.000 0.248 20 V C 2.184 178.285 176.094 0.012 0.000 1.055 20 V CA 2.827 65.136 62.300 0.015 0.000 1.049 20 V CB -0.831 31.002 31.823 0.016 0.000 0.662 20 V HN 0.510 nan 8.190 nan 0.000 0.455 21 N N -0.209 118.498 118.700 0.012 0.000 2.104 21 N HA -0.159 4.582 4.740 0.001 0.000 0.190 21 N C 1.802 177.316 175.510 0.008 0.000 1.024 21 N CA 1.708 54.764 53.050 0.009 0.000 0.853 21 N CB -0.260 38.232 38.487 0.008 0.000 1.008 21 N HN 0.456 nan 8.380 nan 0.000 0.424 22 V N 1.667 121.586 119.914 0.009 0.000 2.295 22 V HA -0.217 3.904 4.120 0.001 0.000 0.246 22 V C 2.222 178.319 176.094 0.006 0.000 1.049 22 V CA 1.300 63.605 62.300 0.007 0.000 1.024 22 V CB -0.546 31.282 31.823 0.009 0.000 0.648 22 V HN 0.397 nan 8.190 nan 0.000 0.447 23 L N 0.019 121.246 121.223 0.006 0.000 1.955 23 L HA -0.243 4.097 4.340 0.001 0.000 0.213 23 L C 2.643 179.515 176.870 0.003 0.000 1.072 23 L CA 2.490 57.332 54.840 0.004 0.000 0.755 23 L CB -0.797 41.264 42.059 0.004 0.000 0.888 23 L HN 0.385 nan 8.230 nan 0.000 0.432 24 A N -0.450 122.373 122.820 0.005 0.000 1.908 24 A HA -0.267 4.053 4.320 0.001 0.000 0.218 24 A C 1.810 179.396 177.584 0.005 0.000 1.181 24 A CA 2.079 54.120 52.037 0.005 0.000 0.627 24 A CB -0.688 18.317 19.000 0.007 0.000 0.818 24 A HN 0.546 nan 8.150 nan 0.000 0.445 25 D N -0.155 120.248 120.400 0.005 0.000 2.178 25 D HA -0.008 4.632 4.640 0.001 0.000 0.201 25 D C 2.123 178.425 176.300 0.003 0.000 0.980 25 D CA 1.405 55.407 54.000 0.004 0.000 0.842 25 D CB -0.297 40.505 40.800 0.004 0.000 0.948 25 D HN 0.457 nan 8.370 nan 0.000 0.472 26 A N 0.270 123.092 122.820 0.002 0.000 1.930 26 A HA -0.033 4.287 4.320 0.001 0.000 0.215 26 A C 2.283 179.868 177.584 0.000 0.000 1.176 26 A CA 0.773 52.811 52.037 0.001 0.000 0.632 26 A CB -0.427 18.573 19.000 0.001 0.000 0.819 26 A HN 0.181 nan 8.150 nan 0.000 0.445 27 V N 0.891 120.805 119.914 0.000 0.000 2.725 27 V HA -0.105 4.015 4.120 0.001 0.000 0.247 27 V C 2.332 178.426 176.094 -0.000 0.000 1.058 27 V CA 2.089 64.388 62.300 -0.002 0.000 1.080 27 V CB -0.408 31.413 31.823 -0.003 0.000 0.713 27 V HN 0.775 nan 8.190 nan 0.000 0.465 28 K N 0.634 121.035 120.400 0.002 0.000 2.365 28 K HA -0.032 4.288 4.320 0.001 0.000 0.199 28 K C 1.535 178.137 176.600 0.004 0.000 1.045 28 K CA 1.680 57.969 56.287 0.003 0.000 0.962 28 K CB -0.390 32.113 32.500 0.005 0.000 0.759 28 K HN 0.499 nan 8.250 nan 0.000 0.469 29 V N -0.265 119.651 119.914 0.003 0.000 3.510 29 V HA -0.031 4.090 4.120 0.001 0.000 0.270 29 V C 1.617 177.712 176.094 0.003 0.000 1.201 29 V CA 1.207 63.509 62.300 0.004 0.000 1.166 29 V CB -0.871 30.953 31.823 0.003 0.000 0.825 29 V HN 0.482 nan 8.190 nan 0.000 0.484 30 T N -3.185 111.369 114.554 0.001 0.000 3.145 30 T HA 0.254 4.605 4.350 0.001 0.000 0.255 30 T C 1.315 176.015 174.700 -0.001 0.000 1.039 30 T CA 0.353 62.453 62.100 -0.000 0.000 0.928 30 T CB 0.551 69.418 68.868 -0.002 0.000 1.029 30 T HN 0.321 nan 8.240 nan 0.000 0.554 31 L N 2.490 123.714 121.223 0.002 0.000 2.023 31 L HA 0.425 4.765 4.340 0.001 0.000 0.205 31 L C 1.596 178.466 176.870 0.001 0.000 1.073 31 L CA 1.250 56.091 54.840 0.002 0.000 0.745 31 L CB -1.288 40.775 42.059 0.006 0.000 0.900 31 L HN 0.389 nan 8.230 nan 0.000 0.435 32 G N -0.543 108.260 108.800 0.004 0.000 2.661 32 G HA2 0.075 4.035 3.960 0.001 0.000 0.272 32 G HA3 0.075 4.035 3.960 0.001 0.000 0.272 32 G C -1.624 173.270 174.900 -0.010 0.000 1.296 32 G CA 0.154 45.255 45.100 0.001 0.000 0.998 32 G HN 0.389 nan 8.290 nan 0.000 0.553 33 P HA 0.053 nan 4.420 nan 0.000 0.237 33 P C 0.336 177.622 177.300 -0.022 0.000 1.178 33 P CA 1.013 64.097 63.100 -0.027 0.000 0.766 33 P CB 0.363 32.035 31.700 -0.046 0.000 0.876 34 K N 0.428 120.820 120.400 -0.014 0.000 3.271 34 K HA 0.337 4.657 4.320 0.001 0.000 0.192 34 K C 0.666 177.265 176.600 -0.002 0.000 1.108 34 K CA -0.425 55.856 56.287 -0.009 0.000 0.902 34 K CB 0.923 33.418 32.500 -0.008 0.000 0.889 34 K HN -0.017 nan 8.250 nan 0.000 0.520 35 G N 0.854 109.652 108.800 -0.003 0.000 2.606 35 G HA2 0.146 4.107 3.960 0.001 0.000 0.252 35 G HA3 0.146 4.107 3.960 0.001 0.000 0.252 35 G C 0.077 174.977 174.900 -0.000 0.000 1.206 35 G CA -0.485 44.614 45.100 -0.001 0.000 0.861 35 G HN 0.168 nan 8.290 nan 0.000 0.561 36 R N -0.045 120.456 120.500 0.001 0.000 2.553 36 R HA 0.272 4.613 4.340 0.001 0.000 0.263 36 R C 0.131 176.431 176.300 -0.000 0.000 1.066 36 R CA -0.688 55.413 56.100 0.001 0.000 1.135 36 R CB 0.438 30.739 30.300 0.002 0.000 1.148 36 R HN 0.629 nan 8.270 nan 0.000 0.558 37 N N -0.002 118.698 118.700 -0.000 0.000 2.487 37 N HA 0.284 5.024 4.740 0.001 0.000 0.292 37 N C -0.637 174.873 175.510 -0.000 0.000 1.108 37 N CA -0.481 52.569 53.050 -0.000 0.000 0.956 37 N CB 1.851 40.338 38.487 -0.000 0.000 1.176 37 N HN 0.069 nan 8.380 nan 0.000 0.484 38 V N 1.539 121.453 119.914 -0.000 0.000 2.513 38 V HA 0.296 4.417 4.120 0.001 0.000 0.299 38 V C 0.073 176.167 176.094 -0.000 0.000 1.035 38 V CA -0.823 61.477 62.300 -0.000 0.000 0.889 38 V CB 2.084 33.906 31.823 -0.001 0.000 0.988 38 V HN 0.342 nan 8.190 nan 0.000 0.440 39 V N 5.818 125.732 119.914 -0.000 0.000 2.370 39 V HA 0.419 4.539 4.120 0.001 0.000 0.279 39 V C -0.566 175.528 176.094 0.000 0.000 1.029 39 V CA -0.525 61.775 62.300 0.000 0.000 0.870 39 V CB 1.377 33.200 31.823 -0.000 0.000 0.984 39 V HN 0.494 nan 8.190 nan 0.000 0.451 40 L N 4.321 125.545 121.223 0.001 0.000 2.318 40 L HA 0.489 4.830 4.340 0.001 0.000 0.277 40 L C 0.078 176.950 176.870 0.004 0.000 1.008 40 L CA -0.342 54.499 54.840 0.002 0.000 0.846 40 L CB 0.869 42.930 42.059 0.003 0.000 1.220 40 L HN 0.579 nan 8.230 nan 0.000 0.423 41 D N 3.174 123.574 120.400 0.001 0.000 2.390 41 D HA 0.121 4.761 4.640 0.001 0.000 0.236 41 D C -0.088 176.217 176.300 0.007 0.000 1.189 41 D CA 0.610 54.610 54.000 -0.001 0.000 0.887 41 D CB 0.791 41.585 40.800 -0.010 0.000 1.198 41 D HN 0.253 nan 8.370 nan 0.000 0.444 42 K N 1.072 121.479 120.400 0.012 0.000 2.553 42 K HA 0.180 4.501 4.320 0.001 0.000 0.250 42 K C 0.709 177.329 176.600 0.032 0.000 0.953 42 K CA -0.469 55.840 56.287 0.037 0.000 0.800 42 K CB 1.256 33.787 32.500 0.052 0.000 1.243 42 K HN 0.372 nan 8.250 nan 0.000 0.435 43 S N 2.773 118.491 115.700 0.030 0.000 2.389 43 S HA -0.160 4.310 4.470 0.001 0.000 0.229 43 S C 0.641 175.112 174.600 -0.215 0.000 1.048 43 S CA 1.481 59.602 58.200 -0.130 0.000 1.117 43 S CB -0.346 62.738 63.200 -0.194 0.000 1.020 43 S HN 0.462 nan 8.310 nan 0.000 0.430 44 F N 1.239 121.188 119.950 -0.002 0.000 2.397 44 F HA 0.615 5.143 4.527 0.001 0.000 0.331 44 F C 1.223 177.022 175.800 -0.002 0.000 1.090 44 F CA -0.199 57.800 58.000 -0.002 0.000 1.065 44 F CB 0.330 39.329 39.000 -0.001 0.000 1.184 44 F HN 0.489 nan 8.300 nan 0.000 0.499 45 G N 0.626 109.523 108.800 0.161 0.000 2.693 45 G HA2 0.179 4.140 3.960 0.001 0.000 0.226 45 G HA3 0.179 4.140 3.960 0.001 0.000 0.226 45 G C -0.573 174.358 174.900 0.052 0.000 1.354 45 G CA -0.690 44.466 45.100 0.093 0.000 0.873 45 G HN 1.165 nan 8.290 nan 0.000 0.562 46 A N 1.136 123.980 122.820 0.039 0.000 2.351 46 A HA 0.768 5.089 4.320 0.001 0.000 0.257 46 A C -0.681 176.917 177.584 0.022 0.000 1.087 46 A CA 0.064 52.115 52.037 0.024 0.000 0.798 46 A CB -0.088 18.924 19.000 0.019 0.000 1.033 46 A HN 0.933 nan 8.150 nan 0.000 0.488 47 P HA 0.257 nan 4.420 nan 0.000 0.275 47 P C -0.372 176.935 177.300 0.012 0.000 1.270 47 P CA -0.079 63.028 63.100 0.011 0.000 0.791 47 P CB 0.347 32.049 31.700 0.005 0.000 1.089 48 T N 0.709 115.268 114.554 0.010 0.000 2.770 48 T HA 0.507 4.858 4.350 0.001 0.000 0.283 48 T C 0.117 174.820 174.700 0.005 0.000 0.988 48 T CA -0.345 61.760 62.100 0.008 0.000 0.957 48 T CB -0.101 68.772 68.868 0.009 0.000 0.930 48 T HN 0.155 nan 8.240 nan 0.000 0.443 49 I N 2.996 123.569 120.570 0.004 0.000 2.331 49 I HA 0.516 4.686 4.170 0.001 0.000 0.292 49 I C 0.551 176.669 176.117 0.001 0.000 0.998 49 I CA -0.456 60.845 61.300 0.002 0.000 1.267 49 I CB 1.545 39.546 38.000 0.002 0.000 1.386 49 I HN 0.432 nan 8.210 nan 0.000 0.476 50 T N 4.450 119.004 114.554 0.000 0.000 2.894 50 T HA 0.357 4.707 4.350 0.001 0.000 0.309 50 T C 0.002 174.701 174.700 -0.001 0.000 1.208 50 T CA -0.591 61.509 62.100 -0.001 0.000 1.016 50 T CB 1.695 70.563 68.868 -0.000 0.000 1.192 50 T HN 0.670 nan 8.240 nan 0.000 0.491 51 K N 1.341 121.739 120.400 -0.002 0.000 2.413 51 K HA 0.186 4.507 4.320 0.001 0.000 0.204 51 K C -0.508 176.090 176.600 -0.004 0.000 1.041 51 K CA -0.249 56.036 56.287 -0.003 0.000 1.082 51 K CB 0.522 33.020 32.500 -0.004 0.000 0.871 51 K HN 0.401 nan 8.250 nan 0.000 0.535 52 D N 0.251 120.648 120.400 -0.004 0.000 2.411 52 D HA 0.093 4.734 4.640 0.001 0.000 0.225 52 D C 1.138 177.434 176.300 -0.007 0.000 1.156 52 D CA -0.204 53.793 54.000 -0.006 0.000 0.874 52 D CB 1.260 42.057 40.800 -0.005 0.000 1.034 52 D HN 0.209 nan 8.370 nan 0.000 0.502 53 G N 2.639 111.434 108.800 -0.008 0.000 2.503 53 G HA2 -0.251 3.710 3.960 0.001 0.000 0.221 53 G HA3 -0.251 3.710 3.960 0.001 0.000 0.221 53 G C 1.521 176.414 174.900 -0.012 0.000 1.131 53 G CA 0.785 45.880 45.100 -0.009 0.000 0.756 53 G HN 0.485 nan 8.290 nan 0.000 0.572 54 V N 0.636 120.542 119.914 -0.014 0.000 2.427 54 V HA -0.157 3.964 4.120 0.001 0.000 0.248 54 V C 3.091 179.177 176.094 -0.014 0.000 1.051 54 V CA 2.134 64.423 62.300 -0.018 0.000 1.048 54 V CB -0.307 31.503 31.823 -0.020 0.000 0.666 54 V HN 0.380 nan 8.190 nan 0.000 0.456 55 S N -0.147 115.547 115.700 -0.010 0.000 2.356 55 S HA -0.181 4.290 4.470 0.001 0.000 0.223 55 S C 2.014 176.610 174.600 -0.007 0.000 1.032 55 S CA 1.645 59.841 58.200 -0.007 0.000 1.005 55 S CB -0.231 62.966 63.200 -0.005 0.000 0.867 55 S HN 0.381 nan 8.310 nan 0.000 0.449 56 V N 2.251 122.162 119.914 -0.006 0.000 2.233 56 V HA -0.254 3.867 4.120 0.001 0.000 0.247 56 V C 2.689 178.779 176.094 -0.007 0.000 1.050 56 V CA 1.818 64.115 62.300 -0.005 0.000 1.010 56 V CB -1.420 30.401 31.823 -0.004 0.000 0.637 56 V HN 0.547 nan 8.190 nan 0.000 0.444 57 A N 0.349 123.164 122.820 -0.009 0.000 1.896 57 A HA -0.376 3.945 4.320 0.001 0.000 0.220 57 A C 2.388 179.965 177.584 -0.011 0.000 1.206 57 A CA 2.792 54.822 52.037 -0.011 0.000 0.647 57 A CB -0.772 18.219 19.000 -0.016 0.000 0.828 57 A HN 0.557 nan 8.150 nan 0.000 0.455 58 R N -0.773 119.719 120.500 -0.013 0.000 2.139 58 R HA -0.205 4.135 4.340 0.001 0.000 0.243 58 R C 1.750 178.044 176.300 -0.011 0.000 1.145 58 R CA 1.943 58.035 56.100 -0.013 0.000 0.976 58 R CB -0.214 30.078 30.300 -0.013 0.000 0.866 58 R HN 0.450 nan 8.270 nan 0.000 0.449 59 E N 0.039 120.234 120.200 -0.008 0.000 2.371 59 E HA 0.056 4.406 4.350 0.001 0.000 0.194 59 E C -0.100 176.497 176.600 -0.005 0.000 1.012 59 E CA 0.223 56.620 56.400 -0.005 0.000 0.860 59 E CB 0.185 29.883 29.700 -0.003 0.000 0.811 59 E HN 0.228 nan 8.360 nan 0.000 0.502 60 I N 2.117 122.683 120.570 -0.005 0.000 2.505 60 I HA 0.119 4.290 4.170 0.001 0.000 0.287 60 I C 0.227 176.342 176.117 -0.004 0.000 1.104 60 I CA 0.364 61.662 61.300 -0.004 0.000 1.387 60 I CB 0.003 38.002 38.000 -0.003 0.000 1.404 60 I HN 0.057 nan 8.210 nan 0.000 0.528 61 E N 7.575 127.773 120.200 -0.003 0.000 2.311 61 E HA 0.537 4.888 4.350 0.001 0.000 0.281 61 E C -1.831 174.768 176.600 -0.001 0.000 0.905 61 E CA -0.616 55.782 56.400 -0.004 0.000 0.778 61 E CB 1.786 31.482 29.700 -0.007 0.000 1.240 61 E HN 0.456 nan 8.360 nan 0.000 0.410 62 L N 3.049 124.273 121.223 0.002 0.000 2.332 62 L HA 0.461 4.802 4.340 0.001 0.000 0.269 62 L C 1.458 178.331 176.870 0.006 0.000 1.016 62 L CA -0.694 54.150 54.840 0.007 0.000 0.809 62 L CB 1.310 43.378 42.059 0.015 0.000 1.280 62 L HN 0.722 nan 8.230 nan 0.000 0.447 63 E N 0.155 120.360 120.200 0.010 0.000 2.046 63 E HA -0.153 4.198 4.350 0.001 0.000 0.190 63 E C 0.406 177.015 176.600 0.015 0.000 0.982 63 E CA 0.403 56.808 56.400 0.008 0.000 0.800 63 E CB 0.268 29.974 29.700 0.010 0.000 0.756 63 E HN 0.653 nan 8.360 nan 0.000 0.449 64 D N 1.905 122.326 120.400 0.035 0.000 2.368 64 D HA -0.044 4.597 4.640 0.001 0.000 0.268 64 D C -0.468 175.871 176.300 0.064 0.000 1.298 64 D CA 0.160 54.202 54.000 0.070 0.000 0.938 64 D CB 0.439 41.291 40.800 0.087 0.000 1.101 64 D HN 0.092 nan 8.370 nan 0.000 0.509 65 K N 2.883 123.289 120.400 0.009 0.000 2.285 65 K HA 0.010 4.330 4.320 0.001 0.000 0.255 65 K C 0.680 177.291 176.600 0.018 0.000 1.000 65 K CA -0.316 55.911 56.287 -0.100 0.000 0.887 65 K CB 0.695 33.029 32.500 -0.278 0.000 0.997 65 K HN 0.410 nan 8.250 nan 0.000 0.510 66 F N -1.284 118.654 119.950 -0.019 0.000 2.523 66 F HA -0.350 4.178 4.527 0.001 0.000 0.749 66 F C 2.009 177.800 175.800 -0.016 0.000 0.485 66 F CA 1.775 59.762 58.000 -0.022 0.000 0.779 66 F CB -1.373 37.613 39.000 -0.022 0.000 1.624 66 F HN 0.754 nan 8.300 nan 0.000 0.277 67 E N 0.291 120.627 120.200 0.226 0.000 2.065 67 E HA -0.313 4.037 4.350 0.001 0.000 0.201 67 E C 1.614 178.257 176.600 0.071 0.000 1.016 67 E CA 1.931 58.396 56.400 0.107 0.000 0.818 67 E CB -0.373 29.376 29.700 0.081 0.000 0.749 67 E HN 0.474 nan 8.360 nan 0.000 0.453 68 N N -0.017 118.716 118.700 0.055 0.000 2.061 68 N HA -0.202 4.539 4.740 0.001 0.000 0.193 68 N C 1.772 177.292 175.510 0.017 0.000 1.030 68 N CA 1.797 54.859 53.050 0.021 0.000 0.856 68 N CB -0.058 38.427 38.487 -0.004 0.000 1.023 68 N HN 0.124 nan 8.380 nan 0.000 0.424 69 M N -0.660 118.952 119.600 0.020 0.000 2.108 69 M HA -0.093 4.388 4.480 0.001 0.000 0.261 69 M C 2.225 178.544 176.300 0.030 0.000 1.066 69 M CA 1.675 56.984 55.300 0.015 0.000 1.107 69 M CB -0.770 31.842 32.600 0.021 0.000 1.356 69 M HN 0.347 nan 8.290 nan 0.000 0.406 70 G N 0.279 109.108 108.800 0.048 0.000 2.514 70 G HA2 -0.212 3.749 3.960 0.001 0.000 0.217 70 G HA3 -0.212 3.749 3.960 0.001 0.000 0.217 70 G C 1.636 176.550 174.900 0.024 0.000 1.198 70 G CA 1.273 46.396 45.100 0.038 0.000 0.780 70 G HN 0.546 nan 8.290 nan 0.000 0.565 71 A N -0.248 122.585 122.820 0.021 0.000 1.883 71 A HA -0.112 4.209 4.320 0.001 0.000 0.217 71 A C 2.412 179.999 177.584 0.006 0.000 1.186 71 A CA 2.174 54.218 52.037 0.012 0.000 0.624 71 A CB -0.465 18.541 19.000 0.011 0.000 0.822 71 A HN 0.331 nan 8.150 nan 0.000 0.444 72 Q N -0.823 118.980 119.800 0.004 0.000 2.170 72 Q HA -0.110 4.230 4.340 0.001 0.000 0.203 72 Q C 2.097 178.096 176.000 -0.001 0.000 0.976 72 Q CA 1.522 57.324 55.803 -0.003 0.000 0.858 72 Q CB -0.501 28.233 28.738 -0.008 0.000 0.907 72 Q HN 0.793 nan 8.270 nan 0.000 0.433 73 M N -0.631 118.973 119.600 0.006 0.000 2.067 73 M HA -0.158 4.323 4.480 0.001 0.000 0.260 73 M C 2.239 178.546 176.300 0.010 0.000 1.069 73 M CA 1.186 56.492 55.300 0.011 0.000 1.117 73 M CB -0.287 32.324 32.600 0.019 0.000 1.334 73 M HN -0.038 nan 8.290 nan 0.000 0.407 74 V N 0.346 120.266 119.914 0.011 0.000 2.295 74 V HA -0.294 3.827 4.120 0.001 0.000 0.246 74 V C 2.190 178.280 176.094 -0.006 0.000 1.049 74 V CA 1.816 64.122 62.300 0.010 0.000 1.024 74 V CB -0.728 31.102 31.823 0.012 0.000 0.648 74 V HN 0.427 nan 8.190 nan 0.000 0.447 75 K N -0.310 120.084 120.400 -0.011 0.000 2.077 75 K HA -0.310 4.011 4.320 0.001 0.000 0.213 75 K C 2.285 178.862 176.600 -0.038 0.000 1.051 75 K CA 2.247 58.520 56.287 -0.023 0.000 0.929 75 K CB -0.260 32.229 32.500 -0.018 0.000 0.715 75 K HN 0.530 nan 8.250 nan 0.000 0.451 76 E N 0.247 120.429 120.200 -0.030 0.000 2.077 76 E HA -0.175 4.175 4.350 0.001 0.000 0.193 76 E C 1.956 178.510 176.600 -0.077 0.000 0.989 76 E CA 1.124 57.500 56.400 -0.040 0.000 0.800 76 E CB 0.148 29.837 29.700 -0.019 0.000 0.746 76 E HN 0.101 nan 8.360 nan 0.000 0.452 77 V N 0.245 120.122 119.914 -0.062 0.000 2.649 77 V HA -0.046 4.075 4.120 0.001 0.000 0.248 77 V C 2.119 178.069 176.094 -0.241 0.000 1.054 77 V CA 1.413 63.655 62.300 -0.096 0.000 1.073 77 V CB 0.107 31.966 31.823 0.060 0.000 0.699 77 V HN 0.377 nan 8.190 nan 0.000 0.463 78 A N -0.701 122.042 122.820 -0.129 0.000 1.969 78 A HA -0.179 4.142 4.320 0.001 0.000 0.218 78 A C 2.532 180.011 177.584 -0.176 0.000 1.169 78 A CA 2.002 53.962 52.037 -0.128 0.000 0.635 78 A CB -0.726 18.240 19.000 -0.058 0.000 0.810 78 A HN 0.593 nan 8.150 nan 0.000 0.445 79 S N -0.152 115.454 115.700 -0.157 0.000 2.402 79 S HA -0.169 4.302 4.470 0.001 0.000 0.229 79 S C 1.947 176.419 174.600 -0.214 0.000 1.021 79 S CA 1.561 59.672 58.200 -0.147 0.000 0.974 79 S CB -0.348 62.794 63.200 -0.097 0.000 0.800 79 S HN 0.583 nan 8.310 nan 0.000 0.484 80 K N 1.086 121.287 120.400 -0.331 0.000 2.097 80 K HA -0.011 4.310 4.320 0.001 0.000 0.206 80 K C 2.514 178.753 176.600 -0.603 0.000 1.049 80 K CA 1.117 57.129 56.287 -0.459 0.000 0.933 80 K CB -0.574 31.551 32.500 -0.625 0.000 0.717 80 K HN 0.490 nan 8.250 nan 0.000 0.442 81 A N 2.583 124.942 122.820 -0.770 0.000 1.859 81 A HA -0.271 4.050 4.320 0.001 0.000 0.217 81 A C 2.081 179.567 177.584 -0.163 0.000 1.198 81 A CA 1.971 53.780 52.037 -0.380 0.000 0.629 81 A CB -0.860 18.041 19.000 -0.165 0.000 0.830 81 A HN 0.360 nan 8.150 nan 0.000 0.446 82 N N -0.172 118.430 118.700 -0.164 0.000 2.149 82 N HA -0.194 4.546 4.740 0.001 0.000 0.188 82 N C 1.158 176.591 175.510 -0.129 0.000 1.019 82 N CA 1.743 54.715 53.050 -0.129 0.000 0.857 82 N CB -0.385 38.031 38.487 -0.117 0.000 0.997 82 N HN 0.399 nan 8.380 nan 0.000 0.426 83 D N 0.288 120.611 120.400 -0.128 0.000 2.123 83 D HA -0.090 4.551 4.640 0.001 0.000 0.196 83 D C 1.446 177.716 176.300 -0.049 0.000 0.992 83 D CA 1.276 55.225 54.000 -0.086 0.000 0.833 83 D CB -0.142 40.606 40.800 -0.086 0.000 0.954 83 D HN 0.432 nan 8.370 nan 0.000 0.455 84 A N -0.595 122.207 122.820 -0.031 0.000 2.147 84 A HA 0.448 4.769 4.320 0.001 0.000 0.211 84 A C 1.829 179.425 177.584 0.020 0.000 1.160 84 A CA 1.123 53.178 52.037 0.029 0.000 0.781 84 A CB 0.386 19.453 19.000 0.111 0.000 0.842 84 A HN 0.205 nan 8.150 nan 0.000 0.475 85 A N -2.669 120.140 122.820 -0.020 0.000 2.009 85 A HA 0.488 4.809 4.320 0.001 0.000 0.197 85 A C 1.641 179.169 177.584 -0.094 0.000 1.471 85 A CA 1.148 53.171 52.037 -0.023 0.000 0.973 85 A CB -0.009 18.993 19.000 0.003 0.000 1.020 85 A HN 1.690 nan 8.150 nan 0.000 0.476 86 G N -1.347 107.338 108.800 -0.192 0.000 2.184 86 G HA2 -0.043 3.917 3.960 0.001 0.000 0.206 86 G HA3 -0.043 3.917 3.960 0.001 0.000 0.206 86 G C -0.302 174.458 174.900 -0.233 0.000 0.995 86 G CA 0.417 45.286 45.100 -0.383 0.000 0.651 86 G HN 0.748 nan 8.290 nan 0.000 0.511 87 D N -2.538 117.784 120.400 -0.131 0.000 2.764 87 D HA 0.552 5.192 4.640 0.001 0.000 0.293 87 D C 0.969 177.237 176.300 -0.054 0.000 1.287 87 D CA 1.176 55.127 54.000 -0.081 0.000 0.768 87 D CB 0.657 41.424 40.800 -0.054 0.000 1.288 87 D HN 1.324 nan 8.370 nan 0.000 0.426 88 G N -0.433 108.345 108.800 -0.037 0.000 2.238 88 G HA2 -0.317 3.644 3.960 0.001 0.000 0.217 88 G HA3 -0.317 3.644 3.960 0.001 0.000 0.217 88 G C 1.144 176.029 174.900 -0.025 0.000 0.996 88 G CA 1.107 46.196 45.100 -0.020 0.000 0.632 88 G HN 0.623 nan 8.290 nan 0.000 0.503 89 T N 1.011 115.538 114.554 -0.045 0.000 2.656 89 T HA -0.302 4.049 4.350 0.001 0.000 0.262 89 T C 2.296 176.979 174.700 -0.029 0.000 1.070 89 T CA 2.861 64.932 62.100 -0.049 0.000 1.160 89 T CB -1.020 67.816 68.868 -0.053 0.000 0.855 89 T HN 0.555 nan 8.240 nan 0.000 0.456 90 T N 1.376 115.918 114.554 -0.021 0.000 2.770 90 T HA -0.076 4.275 4.350 0.001 0.000 0.263 90 T C 2.367 177.065 174.700 -0.003 0.000 1.039 90 T CA 1.589 63.682 62.100 -0.011 0.000 1.142 90 T CB -0.783 68.080 68.868 -0.009 0.000 0.868 90 T HN 0.448 nan 8.240 nan 0.000 0.435 91 T N 2.161 116.715 114.554 -0.001 0.000 2.652 91 T HA -0.111 4.239 4.350 0.001 0.000 0.267 91 T C 2.389 177.098 174.700 0.015 0.000 1.039 91 T CA 1.390 63.495 62.100 0.008 0.000 1.153 91 T CB -0.697 68.178 68.868 0.011 0.000 0.863 91 T HN 0.430 nan 8.240 nan 0.000 0.428 92 A N 1.231 124.060 122.820 0.015 0.000 1.884 92 A HA -0.222 4.099 4.320 0.001 0.000 0.219 92 A C 2.561 180.159 177.584 0.023 0.000 1.197 92 A CA 2.584 54.639 52.037 0.029 0.000 0.637 92 A CB -1.507 17.508 19.000 0.024 0.000 0.827 92 A HN 0.509 nan 8.150 nan 0.000 0.450 93 T N -0.295 114.264 114.554 0.008 0.000 2.665 93 T HA -0.159 4.192 4.350 0.001 0.000 0.268 93 T C 1.857 176.564 174.700 0.012 0.000 1.035 93 T CA 1.725 63.830 62.100 0.007 0.000 1.151 93 T CB -0.560 68.308 68.868 -0.001 0.000 0.862 93 T HN 0.188 nan 8.240 nan 0.000 0.438 94 V N 1.151 121.072 119.914 0.011 0.000 2.407 94 V HA -0.118 4.002 4.120 0.001 0.000 0.248 94 V C 2.419 178.522 176.094 0.016 0.000 1.055 94 V CA 1.497 63.804 62.300 0.012 0.000 1.049 94 V CB -0.613 31.217 31.823 0.012 0.000 0.662 94 V HN 0.424 nan 8.190 nan 0.000 0.455 95 L N -0.252 120.983 121.223 0.020 0.000 2.131 95 L HA -0.018 4.323 4.340 0.001 0.000 0.206 95 L C 2.716 179.601 176.870 0.024 0.000 1.087 95 L CA 1.212 56.065 54.840 0.023 0.000 0.767 95 L CB -0.734 41.342 42.059 0.028 0.000 0.917 95 L HN 0.315 nan 8.230 nan 0.000 0.441 96 A N -0.358 122.478 122.820 0.027 0.000 1.883 96 A HA -0.315 4.006 4.320 0.001 0.000 0.217 96 A C 2.265 179.862 177.584 0.021 0.000 1.186 96 A CA 2.074 54.127 52.037 0.028 0.000 0.624 96 A CB -0.651 18.367 19.000 0.030 0.000 0.822 96 A HN 0.496 nan 8.150 nan 0.000 0.444 97 Q N -0.620 119.191 119.800 0.018 0.000 2.061 97 Q HA -0.168 4.173 4.340 0.001 0.000 0.204 97 Q C 2.248 178.256 176.000 0.014 0.000 0.984 97 Q CA 1.756 57.568 55.803 0.014 0.000 0.846 97 Q CB -0.365 28.380 28.738 0.012 0.000 0.902 97 Q HN 0.610 nan 8.270 nan 0.000 0.421 98 A N 0.709 123.537 122.820 0.014 0.000 1.883 98 A HA -0.194 4.126 4.320 0.001 0.000 0.217 98 A C 1.973 179.564 177.584 0.013 0.000 1.186 98 A CA 1.635 53.680 52.037 0.013 0.000 0.624 98 A CB -0.689 18.319 19.000 0.014 0.000 0.822 98 A HN 0.479 nan 8.150 nan 0.000 0.444 99 I N -0.470 120.109 120.570 0.015 0.000 2.202 99 I HA -0.213 3.957 4.170 0.001 0.000 0.242 99 I C 2.285 178.410 176.117 0.013 0.000 1.091 99 I CA 1.212 62.521 61.300 0.014 0.000 1.368 99 I CB -0.361 37.649 38.000 0.016 0.000 1.058 99 I HN 0.264 nan 8.210 nan 0.000 0.410 100 I N 0.400 120.979 120.570 0.015 0.000 2.208 100 I HA -0.282 3.888 4.170 0.001 0.000 0.245 100 I C 2.562 178.686 176.117 0.011 0.000 1.097 100 I CA 1.543 62.851 61.300 0.014 0.000 1.363 100 I CB -0.636 37.374 38.000 0.016 0.000 1.051 100 I HN 0.268 nan 8.210 nan 0.000 0.413 101 T N 0.087 114.647 114.554 0.010 0.000 2.674 101 T HA -0.163 4.188 4.350 0.001 0.000 0.265 101 T C 1.861 176.565 174.700 0.007 0.000 1.039 101 T CA 1.315 63.420 62.100 0.008 0.000 1.150 101 T CB -0.125 68.748 68.868 0.008 0.000 0.864 101 T HN 0.289 nan 8.240 nan 0.000 0.427 102 E N 0.396 120.601 120.200 0.008 0.000 2.122 102 E HA 0.054 4.404 4.350 0.001 0.000 0.190 102 E C 2.569 179.173 176.600 0.006 0.000 0.977 102 E CA 0.803 57.207 56.400 0.007 0.000 0.820 102 E CB -0.678 29.026 29.700 0.007 0.000 0.770 102 E HN 0.528 nan 8.360 nan 0.000 0.462 103 G N 1.395 110.199 108.800 0.008 0.000 2.421 103 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 103 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 103 G C 1.522 176.426 174.900 0.007 0.000 1.171 103 G CA 0.399 45.503 45.100 0.008 0.000 0.775 103 G HN 0.163 nan 8.290 nan 0.000 0.543 104 L N 0.348 121.575 121.223 0.007 0.000 2.201 104 L HA 0.166 4.507 4.340 0.001 0.000 0.212 104 L C 2.656 179.529 176.870 0.005 0.000 1.105 104 L CA 1.347 56.191 54.840 0.007 0.000 0.775 104 L CB -0.504 41.559 42.059 0.007 0.000 0.913 104 L HN 0.175 nan 8.230 nan 0.000 0.440 105 K N -1.192 119.211 120.400 0.004 0.000 2.031 105 K HA -0.071 4.250 4.320 0.001 0.000 0.205 105 K C 2.135 178.737 176.600 0.003 0.000 1.049 105 K CA 1.183 57.472 56.287 0.003 0.000 0.939 105 K CB -0.239 32.263 32.500 0.003 0.000 0.717 105 K HN 0.309 nan 8.250 nan 0.000 0.438 106 A N 1.196 124.018 122.820 0.004 0.000 1.873 106 A HA -0.206 4.114 4.320 0.001 0.000 0.218 106 A C 2.332 179.919 177.584 0.004 0.000 1.193 106 A CA 2.249 54.289 52.037 0.004 0.000 0.629 106 A CB -1.213 17.790 19.000 0.004 0.000 0.826 106 A HN 0.273 nan 8.150 nan 0.000 0.447 107 V N -1.699 118.218 119.914 0.005 0.000 2.392 107 V HA -0.101 4.020 4.120 0.001 0.000 0.249 107 V C 2.406 178.503 176.094 0.005 0.000 1.059 107 V CA 2.484 64.787 62.300 0.006 0.000 1.051 107 V CB -1.094 30.734 31.823 0.008 0.000 0.658 107 V HN 0.637 nan 8.190 nan 0.000 0.455 108 A N -0.188 122.634 122.820 0.004 0.000 2.119 108 A HA 0.449 4.769 4.320 0.001 0.000 0.216 108 A C 2.345 179.930 177.584 0.001 0.000 1.152 108 A CA 1.364 53.402 52.037 0.002 0.000 0.708 108 A CB -0.693 18.308 19.000 0.001 0.000 0.805 108 A HN 1.043 nan 8.150 nan 0.000 0.460 109 A N -1.530 121.291 122.820 0.002 0.000 2.123 109 A HA 0.408 4.729 4.320 0.001 0.000 0.214 109 A C 1.646 179.230 177.584 0.001 0.000 1.152 109 A CA 1.298 53.336 52.037 0.001 0.000 0.728 109 A CB -0.529 18.472 19.000 0.001 0.000 0.814 109 A HN 1.759 nan 8.150 nan 0.000 0.464 110 G N -1.698 107.103 108.800 0.002 0.000 2.151 110 G HA2 -0.140 3.820 3.960 0.001 0.000 0.156 110 G HA3 -0.140 3.820 3.960 0.001 0.000 0.156 110 G C -0.017 174.884 174.900 0.002 0.000 1.017 110 G CA 0.090 45.191 45.100 0.002 0.000 0.686 110 G HN 0.306 nan 8.290 nan 0.000 0.503 111 M N 0.127 119.729 119.600 0.003 0.000 2.494 111 M HA 0.382 4.863 4.480 0.001 0.000 0.300 111 M C 0.557 176.860 176.300 0.005 0.000 1.189 111 M CA -0.871 54.431 55.300 0.003 0.000 0.982 111 M CB 0.740 33.342 32.600 0.003 0.000 1.534 111 M HN 0.103 nan 8.290 nan 0.000 0.488 112 N N 1.583 120.285 118.700 0.004 0.000 2.401 112 N HA 0.154 4.895 4.740 0.001 0.000 0.255 112 N C -2.173 173.341 175.510 0.007 0.000 1.110 112 N CA -1.409 51.644 53.050 0.005 0.000 0.949 112 N CB 1.192 39.681 38.487 0.005 0.000 1.110 112 N HN 0.245 nan 8.380 nan 0.000 0.490 113 P HA -0.133 nan 4.420 nan 0.000 0.216 113 P C 1.415 178.720 177.300 0.009 0.000 1.153 113 P CA 1.257 64.363 63.100 0.009 0.000 0.858 113 P CB 0.259 31.966 31.700 0.013 0.000 0.789 114 M N -0.844 118.761 119.600 0.008 0.000 2.175 114 M HA -0.126 4.355 4.480 0.001 0.000 0.264 114 M C 1.477 177.780 176.300 0.005 0.000 1.063 114 M CA 1.687 56.992 55.300 0.007 0.000 1.119 114 M CB -0.917 31.688 32.600 0.007 0.000 1.377 114 M HN -0.186 nan 8.290 nan 0.000 0.415 115 D N -0.374 120.029 120.400 0.005 0.000 2.117 115 D HA -0.106 4.535 4.640 0.001 0.000 0.198 115 D C 2.071 178.373 176.300 0.004 0.000 0.982 115 D CA 1.270 55.273 54.000 0.004 0.000 0.828 115 D CB -0.273 40.529 40.800 0.003 0.000 0.967 115 D HN 0.339 nan 8.370 nan 0.000 0.464 116 L N 0.844 122.070 121.223 0.005 0.000 2.012 116 L HA -0.206 4.135 4.340 0.001 0.000 0.210 116 L C 2.576 179.448 176.870 0.005 0.000 1.073 116 L CA 1.243 56.086 54.840 0.005 0.000 0.748 116 L CB -0.403 41.659 42.059 0.006 0.000 0.891 116 L HN 0.000 nan 8.230 nan 0.000 0.431 117 K N 0.356 120.759 120.400 0.005 0.000 2.009 117 K HA -0.251 4.070 4.320 0.001 0.000 0.210 117 K C 2.295 178.896 176.600 0.002 0.000 1.049 117 K CA 1.545 57.835 56.287 0.004 0.000 0.929 117 K CB -0.075 32.428 32.500 0.005 0.000 0.714 117 K HN 0.036 nan 8.250 nan 0.000 0.440 118 R N -0.273 120.228 120.500 0.001 0.000 2.136 118 R HA -0.199 4.142 4.340 0.001 0.000 0.242 118 R C 2.349 178.648 176.300 -0.000 0.000 1.131 118 R CA 2.180 58.280 56.100 -0.000 0.000 0.937 118 R CB -0.988 29.313 30.300 0.001 0.000 0.863 118 R HN 0.499 nan 8.270 nan 0.000 0.435 119 G N 0.618 109.419 108.800 0.001 0.000 2.553 119 G HA2 -0.322 3.638 3.960 0.001 0.000 0.218 119 G HA3 -0.322 3.638 3.960 0.001 0.000 0.218 119 G C 1.448 176.349 174.900 0.001 0.000 1.195 119 G CA 1.459 46.559 45.100 0.001 0.000 0.779 119 G HN 0.325 nan 8.290 nan 0.000 0.577 120 I N 1.057 121.628 120.570 0.002 0.000 2.087 120 I HA -0.231 3.940 4.170 0.001 0.000 0.240 120 I C 2.471 178.587 176.117 -0.001 0.000 1.054 120 I CA 1.772 63.073 61.300 0.002 0.000 1.311 120 I CB -0.260 37.742 38.000 0.003 0.000 1.024 120 I HN 0.081 nan 8.210 nan 0.000 0.402 121 D N 0.442 120.840 120.400 -0.004 0.000 2.149 121 D HA -0.218 4.423 4.640 0.001 0.000 0.198 121 D C 2.091 178.386 176.300 -0.008 0.000 0.990 121 D CA 1.209 55.204 54.000 -0.008 0.000 0.839 121 D CB -0.211 40.584 40.800 -0.009 0.000 0.948 121 D HN 0.324 nan 8.370 nan 0.000 0.460 122 K N 0.437 120.835 120.400 -0.005 0.000 1.984 122 K HA -0.072 4.249 4.320 0.001 0.000 0.209 122 K C 2.108 178.706 176.600 -0.003 0.000 1.046 122 K CA 1.140 57.425 56.287 -0.004 0.000 0.934 122 K CB -0.097 32.402 32.500 -0.002 0.000 0.717 122 K HN 0.004 nan 8.250 nan 0.000 0.438 123 A N 0.747 123.567 122.820 -0.001 0.000 1.927 123 A HA -0.181 4.139 4.320 0.001 0.000 0.220 123 A C 2.243 179.827 177.584 0.000 0.000 1.185 123 A CA 2.029 54.067 52.037 0.001 0.000 0.639 123 A CB -0.803 18.199 19.000 0.003 0.000 0.820 123 A HN 0.202 nan 8.150 nan 0.000 0.451 124 V N -0.868 119.044 119.914 -0.003 0.000 2.270 124 V HA -0.217 3.904 4.120 0.001 0.000 0.245 124 V C 2.682 178.771 176.094 -0.008 0.000 1.043 124 V CA 2.417 64.714 62.300 -0.006 0.000 1.014 124 V CB -1.398 30.418 31.823 -0.011 0.000 0.645 124 V HN 0.591 nan 8.190 nan 0.000 0.447 125 T N 0.520 115.067 114.554 -0.011 0.000 2.680 125 T HA -0.303 4.048 4.350 0.001 0.000 0.268 125 T C 1.938 176.635 174.700 -0.006 0.000 1.033 125 T CA 2.089 64.182 62.100 -0.011 0.000 1.152 125 T CB -0.433 68.429 68.868 -0.010 0.000 0.859 125 T HN 0.597 nan 8.240 nan 0.000 0.452 126 A N 0.805 123.623 122.820 -0.003 0.000 1.898 126 A HA 0.364 4.685 4.320 0.001 0.000 0.214 126 A C 2.608 180.194 177.584 0.002 0.000 1.183 126 A CA 1.540 53.578 52.037 0.000 0.000 0.622 126 A CB -0.939 18.061 19.000 0.001 0.000 0.824 126 A HN 0.506 nan 8.150 nan 0.000 0.444 127 A N -0.418 122.404 122.820 0.003 0.000 1.930 127 A HA 0.061 4.382 4.320 0.001 0.000 0.217 127 A C 2.183 179.770 177.584 0.006 0.000 1.175 127 A CA 1.579 53.620 52.037 0.006 0.000 0.627 127 A CB -0.901 18.104 19.000 0.008 0.000 0.815 127 A HN 0.346 nan 8.150 nan 0.000 0.443 128 V N 0.043 119.958 119.914 0.001 0.000 2.282 128 V HA -0.298 3.823 4.120 0.001 0.000 0.249 128 V C 2.566 178.662 176.094 0.003 0.000 1.057 128 V CA 2.517 64.817 62.300 0.000 0.000 1.032 128 V CB -0.832 30.987 31.823 -0.007 0.000 0.645 128 V HN 0.598 nan 8.190 nan 0.000 0.447 129 E N 0.143 120.344 120.200 0.002 0.000 2.049 129 E HA -0.219 4.132 4.350 0.001 0.000 0.198 129 E C 2.324 178.928 176.600 0.007 0.000 1.007 129 E CA 1.543 57.946 56.400 0.004 0.000 0.809 129 E CB -0.308 29.394 29.700 0.003 0.000 0.749 129 E HN 0.542 nan 8.360 nan 0.000 0.450 130 E N -0.221 119.984 120.200 0.008 0.000 2.130 130 E HA -0.203 4.148 4.350 0.001 0.000 0.196 130 E C 2.086 178.695 176.600 0.014 0.000 0.998 130 E CA 0.690 57.097 56.400 0.011 0.000 0.806 130 E CB -0.261 29.446 29.700 0.012 0.000 0.738 130 E HN 0.181 nan 8.360 nan 0.000 0.459 131 L N 1.644 122.875 121.223 0.014 0.000 2.042 131 L HA -0.211 4.129 4.340 0.001 0.000 0.210 131 L C 2.174 179.053 176.870 0.015 0.000 1.076 131 L CA 1.750 56.599 54.840 0.015 0.000 0.749 131 L CB -0.541 41.527 42.059 0.014 0.000 0.893 131 L HN 0.047 nan 8.230 nan 0.000 0.432 132 K N -1.114 119.293 120.400 0.012 0.000 2.147 132 K HA -0.122 4.199 4.320 0.001 0.000 0.205 132 K C 2.013 178.620 176.600 0.013 0.000 1.049 132 K CA 1.296 57.590 56.287 0.012 0.000 0.936 132 K CB -0.284 32.221 32.500 0.009 0.000 0.722 132 K HN 0.359 nan 8.250 nan 0.000 0.446 133 A N 1.374 124.201 122.820 0.013 0.000 1.898 133 A HA -0.080 4.241 4.320 0.001 0.000 0.214 133 A C 2.098 179.691 177.584 0.016 0.000 1.183 133 A CA 0.738 52.783 52.037 0.013 0.000 0.622 133 A CB -0.367 18.640 19.000 0.012 0.000 0.824 133 A HN 0.198 nan 8.150 nan 0.000 0.444 134 L N 0.065 121.299 121.223 0.019 0.000 2.141 134 L HA 0.062 4.403 4.340 0.001 0.000 0.209 134 L C 1.407 178.290 176.870 0.022 0.000 1.094 134 L CA 1.107 55.960 54.840 0.023 0.000 0.763 134 L CB -0.505 41.570 42.059 0.026 0.000 0.908 134 L HN 0.241 nan 8.230 nan 0.000 0.437 135 S N -0.458 115.254 115.700 0.020 0.000 2.626 135 S HA 0.048 4.519 4.470 0.001 0.000 0.303 135 S C -0.137 174.474 174.600 0.018 0.000 1.256 135 S CA -0.367 57.844 58.200 0.018 0.000 1.069 135 S CB -0.102 63.108 63.200 0.016 0.000 0.807 135 S HN 0.095 nan 8.310 nan 0.000 0.500 136 V N 9.485 129.410 119.914 0.018 0.000 2.383 136 V HA 0.330 4.451 4.120 0.001 0.000 0.275 136 V C -1.890 174.213 176.094 0.015 0.000 1.036 136 V CA -1.798 60.513 62.300 0.017 0.000 0.889 136 V CB 1.075 32.909 31.823 0.018 0.000 0.985 136 V HN 0.732 nan 8.190 nan 0.000 0.459 137 P HA 0.133 nan 4.420 nan 0.000 0.270 137 P C -0.638 176.669 177.300 0.012 0.000 1.223 137 P CA -0.227 62.881 63.100 0.013 0.000 0.785 137 P CB 0.421 32.128 31.700 0.012 0.000 0.923 138 C N 1.660 120.967 119.300 0.012 0.000 2.547 138 C HA 0.590 5.051 4.460 0.001 0.000 0.327 138 C C 1.103 176.100 174.990 0.011 0.000 1.076 138 C CA 0.305 59.330 59.018 0.011 0.000 1.390 138 C CB -0.591 27.157 27.740 0.012 0.000 1.918 138 C HN 0.630 nan 8.230 nan 0.000 0.438 139 S N 2.921 118.626 115.700 0.009 0.000 2.931 139 S HA 0.207 4.678 4.470 0.001 0.000 0.251 139 S C 0.323 174.927 174.600 0.007 0.000 1.078 139 S CA 0.596 58.800 58.200 0.008 0.000 0.835 139 S CB -0.124 63.081 63.200 0.008 0.000 0.798 139 S HN 0.943 nan 8.310 nan 0.000 0.495 140 D N 1.203 121.607 120.400 0.006 0.000 2.358 140 D HA 0.353 4.994 4.640 0.001 0.000 0.244 140 D C 1.029 177.331 176.300 0.004 0.000 1.163 140 D CA -0.075 53.927 54.000 0.005 0.000 0.945 140 D CB 0.440 41.242 40.800 0.005 0.000 1.152 140 D HN 0.065 nan 8.370 nan 0.000 0.451 141 S N -0.323 115.379 115.700 0.003 0.000 2.387 141 S HA -0.248 4.223 4.470 0.001 0.000 0.230 141 S C 1.570 176.171 174.600 0.002 0.000 1.035 141 S CA 1.681 59.883 58.200 0.002 0.000 1.014 141 S CB -0.354 62.847 63.200 0.001 0.000 0.836 141 S HN 0.649 nan 8.310 nan 0.000 0.466 142 K N 0.957 121.358 120.400 0.003 0.000 2.009 142 K HA -0.135 4.186 4.320 0.001 0.000 0.210 142 K C 2.163 178.766 176.600 0.004 0.000 1.049 142 K CA 1.455 57.744 56.287 0.003 0.000 0.929 142 K CB -0.403 32.099 32.500 0.003 0.000 0.714 142 K HN 0.315 nan 8.250 nan 0.000 0.440 143 A N 1.220 124.043 122.820 0.005 0.000 1.930 143 A HA -0.107 4.214 4.320 0.001 0.000 0.217 143 A C 2.020 179.608 177.584 0.006 0.000 1.175 143 A CA 1.162 53.203 52.037 0.006 0.000 0.627 143 A CB -0.452 18.552 19.000 0.008 0.000 0.815 143 A HN 0.296 nan 8.150 nan 0.000 0.443 144 I N 0.281 120.854 120.570 0.006 0.000 2.099 144 I HA -0.281 3.890 4.170 0.001 0.000 0.239 144 I C 2.990 179.110 176.117 0.004 0.000 1.066 144 I CA 1.633 62.936 61.300 0.006 0.000 1.324 144 I CB -1.726 36.276 38.000 0.004 0.000 1.037 144 I HN 0.358 nan 8.210 nan 0.000 0.401 145 A N -0.036 122.785 122.820 0.003 0.000 1.940 145 A HA -0.303 4.018 4.320 0.001 0.000 0.219 145 A C 2.271 179.857 177.584 0.002 0.000 1.176 145 A CA 2.152 54.190 52.037 0.001 0.000 0.631 145 A CB -0.737 18.263 19.000 0.000 0.000 0.814 145 A HN 0.521 nan 8.150 nan 0.000 0.446 146 Q N 0.068 119.870 119.800 0.003 0.000 1.927 146 Q HA -0.186 4.155 4.340 0.001 0.000 0.210 146 Q C 2.108 178.110 176.000 0.004 0.000 1.001 146 Q CA 3.247 59.052 55.803 0.003 0.000 0.862 146 Q CB -0.791 27.950 28.738 0.005 0.000 0.934 146 Q HN 0.731 nan 8.270 nan 0.000 0.420 147 V N -0.298 119.620 119.914 0.006 0.000 2.490 147 V HA -0.099 4.022 4.120 0.001 0.000 0.250 147 V C 1.894 177.993 176.094 0.008 0.000 1.061 147 V CA 2.566 64.871 62.300 0.008 0.000 1.064 147 V CB -1.451 30.379 31.823 0.011 0.000 0.670 147 V HN 0.503 nan 8.190 nan 0.000 0.461 148 G N 0.834 109.639 108.800 0.008 0.000 2.545 148 G HA2 -0.372 3.588 3.960 0.001 0.000 0.217 148 G HA3 -0.372 3.588 3.960 0.001 0.000 0.217 148 G C 1.808 176.710 174.900 0.004 0.000 1.218 148 G CA 2.595 47.699 45.100 0.007 0.000 0.787 148 G HN 0.773 nan 8.290 nan 0.000 0.571 149 T N 0.251 114.806 114.554 0.002 0.000 2.684 149 T HA -0.123 4.228 4.350 0.001 0.000 0.267 149 T C 2.418 177.117 174.700 -0.001 0.000 1.036 149 T CA 1.531 63.631 62.100 -0.001 0.000 1.148 149 T CB -0.385 68.482 68.868 -0.002 0.000 0.863 149 T HN 0.257 nan 8.240 nan 0.000 0.436 150 I N 1.599 122.169 120.570 -0.001 0.000 2.226 150 I HA -0.123 4.048 4.170 0.001 0.000 0.245 150 I C 3.021 179.137 176.117 -0.002 0.000 1.100 150 I CA 1.444 62.742 61.300 -0.003 0.000 1.374 150 I CB -0.552 37.446 38.000 -0.003 0.000 1.057 150 I HN 0.308 nan 8.210 nan 0.000 0.413 151 S N 0.352 116.055 115.700 0.003 0.000 2.474 151 S HA 0.026 4.497 4.470 0.001 0.000 0.235 151 S C 1.681 176.285 174.600 0.008 0.000 0.997 151 S CA 0.991 59.196 58.200 0.008 0.000 0.949 151 S CB -0.144 63.066 63.200 0.016 0.000 0.766 151 S HN 0.445 nan 8.310 nan 0.000 0.517 152 A N 1.241 124.063 122.820 0.004 0.000 2.500 152 A HA 0.401 4.722 4.320 0.001 0.000 0.267 152 A C 0.499 178.082 177.584 -0.001 0.000 1.290 152 A CA -0.222 51.817 52.037 0.003 0.000 0.928 152 A CB -0.638 18.363 19.000 0.002 0.000 1.066 152 A HN 0.679 nan 8.150 nan 0.000 0.516 153 N N 0.254 118.952 118.700 -0.004 0.000 2.688 153 N HA -0.210 4.530 4.740 0.001 0.000 0.261 153 N C 0.261 175.766 175.510 -0.008 0.000 1.116 153 N CA 0.500 53.546 53.050 -0.007 0.000 0.689 153 N CB -0.981 37.502 38.487 -0.007 0.000 0.882 153 N HN 0.416 nan 8.380 nan 0.000 0.554 154 S N -1.079 114.616 115.700 -0.008 0.000 3.017 154 S HA -0.245 4.226 4.470 0.001 0.000 0.283 154 S C -0.040 174.556 174.600 -0.007 0.000 1.304 154 S CA 1.450 59.645 58.200 -0.008 0.000 1.224 154 S CB -0.685 62.509 63.200 -0.011 0.000 1.480 154 S HN 0.801 nan 8.310 nan 0.000 0.698 155 D N 1.599 121.996 120.400 -0.006 0.000 2.348 155 D HA 0.207 4.847 4.640 0.001 0.000 0.259 155 D C 0.995 177.293 176.300 -0.004 0.000 1.296 155 D CA 0.164 54.161 54.000 -0.005 0.000 0.931 155 D CB 0.457 41.254 40.800 -0.005 0.000 1.067 155 D HN 0.471 nan 8.370 nan 0.000 0.503 156 E N 1.103 121.301 120.200 -0.004 0.000 2.204 156 E HA -0.142 4.209 4.350 0.001 0.000 0.194 156 E C 1.727 178.325 176.600 -0.004 0.000 0.989 156 E CA 1.065 57.463 56.400 -0.004 0.000 0.824 156 E CB 0.327 30.025 29.700 -0.004 0.000 0.756 156 E HN 0.620 nan 8.360 nan 0.000 0.477 157 T N -2.111 112.441 114.554 -0.004 0.000 2.951 157 T HA -0.047 4.304 4.350 0.001 0.000 0.268 157 T C 1.959 176.655 174.700 -0.005 0.000 1.073 157 T CA 0.713 62.810 62.100 -0.005 0.000 1.134 157 T CB -0.177 68.688 68.868 -0.005 0.000 0.884 157 T HN -0.062 nan 8.240 nan 0.000 0.479 158 V N 1.905 121.816 119.914 -0.005 0.000 2.307 158 V HA 0.076 4.196 4.120 0.001 0.000 0.245 158 V C 3.144 179.236 176.094 -0.005 0.000 1.045 158 V CA 1.679 63.976 62.300 -0.005 0.000 1.024 158 V CB -1.558 30.263 31.823 -0.004 0.000 0.651 158 V HN 0.633 nan 8.190 nan 0.000 0.449 159 G N -0.201 108.597 108.800 -0.003 0.000 2.476 159 G HA2 -0.343 3.618 3.960 0.001 0.000 0.218 159 G HA3 -0.343 3.618 3.960 0.001 0.000 0.218 159 G C 1.637 176.536 174.900 -0.003 0.000 1.164 159 G CA 1.283 46.382 45.100 -0.002 0.000 0.768 159 G HN 0.477 nan 8.290 nan 0.000 0.560 160 K N -0.442 119.956 120.400 -0.004 0.000 2.001 160 K HA -0.092 4.229 4.320 0.001 0.000 0.214 160 K C 2.529 179.125 176.600 -0.006 0.000 1.050 160 K CA 1.325 57.609 56.287 -0.004 0.000 0.934 160 K CB -0.319 32.178 32.500 -0.004 0.000 0.718 160 K HN 0.229 nan 8.250 nan 0.000 0.443 161 L N 1.100 122.319 121.223 -0.007 0.000 2.131 161 L HA -0.160 4.180 4.340 0.001 0.000 0.210 161 L C 2.142 179.006 176.870 -0.011 0.000 1.092 161 L CA 1.385 56.219 54.840 -0.009 0.000 0.759 161 L CB -0.280 41.773 42.059 -0.011 0.000 0.903 161 L HN 0.260 nan 8.230 nan 0.000 0.435 162 I N -1.289 119.275 120.570 -0.010 0.000 2.163 162 I HA -0.279 3.892 4.170 0.001 0.000 0.240 162 I C 2.596 178.708 176.117 -0.008 0.000 1.081 162 I CA 1.169 62.463 61.300 -0.010 0.000 1.353 162 I CB -0.578 37.418 38.000 -0.008 0.000 1.054 162 I HN 0.201 nan 8.210 nan 0.000 0.407 163 A N 0.200 123.017 122.820 -0.005 0.000 1.917 163 A HA -0.285 4.036 4.320 0.001 0.000 0.219 163 A C 2.243 179.824 177.584 -0.004 0.000 1.182 163 A CA 2.072 54.107 52.037 -0.003 0.000 0.633 163 A CB -0.681 18.317 19.000 -0.002 0.000 0.819 163 A HN 0.481 nan 8.150 nan 0.000 0.448 164 E N -0.704 119.493 120.200 -0.006 0.000 2.072 164 E HA -0.044 4.307 4.350 0.001 0.000 0.191 164 E C 2.398 178.993 176.600 -0.008 0.000 0.985 164 E CA 0.772 57.168 56.400 -0.006 0.000 0.801 164 E CB -0.246 29.450 29.700 -0.007 0.000 0.750 164 E HN 0.622 nan 8.360 nan 0.000 0.452 165 A N 1.228 124.042 122.820 -0.010 0.000 1.865 165 A HA -0.226 4.095 4.320 0.001 0.000 0.217 165 A C 2.185 179.762 177.584 -0.010 0.000 1.191 165 A CA 1.634 53.663 52.037 -0.012 0.000 0.623 165 A CB -0.541 18.449 19.000 -0.016 0.000 0.826 165 A HN 0.159 nan 8.150 nan 0.000 0.444 166 M N -1.086 118.509 119.600 -0.009 0.000 2.149 166 M HA -0.182 4.299 4.480 0.001 0.000 0.261 166 M C 1.715 178.012 176.300 -0.005 0.000 1.064 166 M CA 1.968 57.264 55.300 -0.006 0.000 1.102 166 M CB -0.720 31.878 32.600 -0.004 0.000 1.369 166 M HN 0.413 nan 8.290 nan 0.000 0.408 167 D N 0.429 120.826 120.400 -0.004 0.000 2.309 167 D HA -0.098 4.543 4.640 0.001 0.000 0.212 167 D C 1.947 178.245 176.300 -0.004 0.000 0.968 167 D CA 0.975 54.972 54.000 -0.004 0.000 0.882 167 D CB 0.297 41.095 40.800 -0.004 0.000 0.918 167 D HN 0.228 nan 8.370 nan 0.000 0.503 168 K N -0.976 119.420 120.400 -0.006 0.000 2.262 168 K HA 0.123 4.444 4.320 0.001 0.000 0.200 168 K C 1.263 177.859 176.600 -0.006 0.000 1.058 168 K CA 0.240 56.523 56.287 -0.006 0.000 0.974 168 K CB 0.639 33.134 32.500 -0.008 0.000 0.910 168 K HN 0.005 nan 8.250 nan 0.000 0.484 169 V N 0.315 120.224 119.914 -0.007 0.000 3.528 169 V HA 0.256 4.377 4.120 0.001 0.000 0.294 169 V C -0.043 176.048 176.094 -0.005 0.000 1.404 169 V CA 0.762 63.057 62.300 -0.007 0.000 1.065 169 V CB 0.471 32.289 31.823 -0.010 0.000 0.904 169 V HN 0.558 nan 8.190 nan 0.000 0.435 170 G N 0.612 109.410 108.800 -0.004 0.000 2.541 170 G HA2 -0.163 3.797 3.960 0.001 0.000 0.686 170 G HA3 -0.163 3.797 3.960 0.001 0.000 0.686 170 G C -0.043 174.856 174.900 -0.002 0.000 1.286 170 G CA -0.031 45.067 45.100 -0.002 0.000 0.894 170 G HN 0.237 nan 8.290 nan 0.000 0.575 171 K N -0.144 120.256 120.400 0.001 0.000 2.283 171 K HA 0.030 4.351 4.320 0.001 0.000 0.202 171 K C 2.129 178.731 176.600 0.003 0.000 1.048 171 K CA 1.785 58.073 56.287 0.003 0.000 0.948 171 K CB 0.052 32.556 32.500 0.006 0.000 0.742 171 K HN 0.409 nan 8.250 nan 0.000 0.458 172 E N 0.232 120.433 120.200 0.003 0.000 2.102 172 E HA 0.058 4.409 4.350 0.001 0.000 0.190 172 E C 0.704 177.304 176.600 -0.000 0.000 0.971 172 E CA 0.330 56.732 56.400 0.004 0.000 0.821 172 E CB -0.190 29.513 29.700 0.005 0.000 0.777 172 E HN 0.289 nan 8.360 nan 0.000 0.460 173 G N 0.734 109.533 108.800 -0.003 0.000 2.469 173 G HA2 0.007 3.968 3.960 0.001 0.000 0.229 173 G HA3 0.007 3.968 3.960 0.001 0.000 0.229 173 G C -0.068 174.824 174.900 -0.013 0.000 1.222 173 G CA -0.253 44.843 45.100 -0.007 0.000 0.861 173 G HN 0.060 nan 8.290 nan 0.000 0.538 174 V N 3.126 123.030 119.914 -0.016 0.000 2.439 174 V HA 0.214 4.335 4.120 0.001 0.000 0.271 174 V C 0.460 176.534 176.094 -0.032 0.000 1.040 174 V CA 0.127 62.411 62.300 -0.026 0.000 1.002 174 V CB 0.416 32.221 31.823 -0.030 0.000 1.000 174 V HN 0.479 nan 8.190 nan 0.000 0.477 175 I N 5.308 125.855 120.570 -0.039 0.000 2.382 175 I HA 0.497 4.667 4.170 0.001 0.000 0.286 175 I C 0.493 176.576 176.117 -0.057 0.000 1.002 175 I CA -0.067 61.208 61.300 -0.043 0.000 1.135 175 I CB 1.913 39.890 38.000 -0.039 0.000 1.288 175 I HN 0.712 nan 8.210 nan 0.000 0.448 176 T N 2.671 117.194 114.554 -0.052 0.000 2.950 176 T HA 0.821 5.171 4.350 0.001 0.000 0.288 176 T C -0.413 174.257 174.700 -0.049 0.000 1.035 176 T CA -0.867 61.199 62.100 -0.057 0.000 1.028 176 T CB 2.036 70.872 68.868 -0.054 0.000 1.109 176 T HN 0.170 nan 8.240 nan 0.000 0.514 177 V N 1.120 121.004 119.914 -0.049 0.000 2.540 177 V HA 0.565 4.686 4.120 0.001 0.000 0.302 177 V C -0.255 175.819 176.094 -0.033 0.000 1.035 177 V CA -0.760 61.516 62.300 -0.040 0.000 0.873 177 V CB 1.409 33.206 31.823 -0.042 0.000 0.992 177 V HN 0.982 nan 8.190 nan 0.000 0.428 178 E N 1.507 121.691 120.200 -0.028 0.000 2.320 178 E HA 0.440 4.791 4.350 0.001 0.000 0.264 178 E C -1.402 175.186 176.600 -0.020 0.000 0.923 178 E CA -0.999 55.387 56.400 -0.024 0.000 0.796 178 E CB 1.795 31.481 29.700 -0.024 0.000 1.262 178 E HN 0.673 nan 8.360 nan 0.000 0.428 179 D N 0.481 120.871 120.400 -0.017 0.000 2.424 179 D HA 0.218 4.859 4.640 0.001 0.000 0.244 179 D C -0.109 176.182 176.300 -0.014 0.000 1.134 179 D CA 0.458 54.450 54.000 -0.014 0.000 0.881 179 D CB 0.840 41.632 40.800 -0.013 0.000 1.191 179 D HN 0.426 nan 8.370 nan 0.000 0.445 180 G N 0.056 108.849 108.800 -0.013 0.000 2.444 180 G HA2 0.338 4.298 3.960 0.001 0.000 0.268 180 G HA3 0.338 4.298 3.960 0.001 0.000 0.268 180 G C 1.040 175.933 174.900 -0.011 0.000 1.203 180 G CA -0.377 44.715 45.100 -0.012 0.000 0.835 180 G HN 0.499 nan 8.290 nan 0.000 0.543 181 T N -0.499 114.048 114.554 -0.011 0.000 3.044 181 T HA 0.310 4.661 4.350 0.001 0.000 0.255 181 T C 1.292 175.987 174.700 -0.009 0.000 1.073 181 T CA 0.817 62.911 62.100 -0.010 0.000 1.125 181 T CB 0.269 69.131 68.868 -0.011 0.000 0.908 181 T HN 0.717 nan 8.240 nan 0.000 0.480 182 G N 0.835 109.630 108.800 -0.009 0.000 3.122 182 G HA2 0.534 4.495 3.960 0.001 0.000 0.180 182 G HA3 0.534 4.495 3.960 0.001 0.000 0.180 182 G C 0.110 175.006 174.900 -0.007 0.000 1.279 182 G CA -0.294 44.801 45.100 -0.008 0.000 0.987 182 G HN 0.219 nan 8.290 nan 0.000 0.589 183 L N -0.762 120.457 121.223 -0.007 0.000 2.477 183 L HA 0.368 4.709 4.340 0.001 0.000 0.220 183 L C 0.671 177.537 176.870 -0.007 0.000 1.106 183 L CA 0.516 55.352 54.840 -0.006 0.000 0.851 183 L CB -0.243 41.813 42.059 -0.006 0.000 0.994 183 L HN 0.224 nan 8.230 nan 0.000 0.462 184 Q N 1.442 121.238 119.800 -0.007 0.000 2.243 184 Q HA 0.186 4.527 4.340 0.001 0.000 0.252 184 Q C -0.780 175.215 176.000 -0.009 0.000 0.909 184 Q CA -0.334 55.465 55.803 -0.007 0.000 0.922 184 Q CB 1.077 29.810 28.738 -0.007 0.000 1.215 184 Q HN 0.293 nan 8.270 nan 0.000 0.427 185 D N 2.053 122.448 120.400 -0.009 0.000 2.399 185 D HA 0.117 4.758 4.640 0.001 0.000 0.241 185 D C -0.292 176.002 176.300 -0.010 0.000 1.133 185 D CA 0.494 54.488 54.000 -0.010 0.000 0.890 185 D CB 0.952 41.746 40.800 -0.009 0.000 1.201 185 D HN 0.365 nan 8.370 nan 0.000 0.432 186 E N 0.421 120.614 120.200 -0.012 0.000 2.317 186 E HA 0.523 4.874 4.350 0.001 0.000 0.270 186 E C -0.876 175.716 176.600 -0.013 0.000 0.885 186 E CA -0.704 55.689 56.400 -0.012 0.000 0.760 186 E CB 2.620 32.313 29.700 -0.012 0.000 1.227 186 E HN 0.167 nan 8.360 nan 0.000 0.434 187 L N 2.947 124.162 121.223 -0.013 0.000 2.406 187 L HA 0.462 4.802 4.340 0.001 0.000 0.270 187 L C -1.630 175.232 176.870 -0.013 0.000 0.982 187 L CA -0.455 54.377 54.840 -0.014 0.000 0.843 187 L CB 0.933 42.984 42.059 -0.013 0.000 1.225 187 L HN 0.571 nan 8.230 nan 0.000 0.412 188 D N 4.131 124.522 120.400 -0.015 0.000 2.619 188 D HA 0.406 5.047 4.640 0.001 0.000 0.241 188 D C -0.567 175.724 176.300 -0.015 0.000 1.087 188 D CA -0.203 53.788 54.000 -0.014 0.000 0.851 188 D CB 3.133 43.924 40.800 -0.015 0.000 1.474 188 D HN 0.288 nan 8.370 nan 0.000 0.478 189 V N -0.446 119.460 119.914 -0.014 0.000 2.481 189 V HA 0.774 4.895 4.120 0.001 0.000 0.286 189 V C 0.012 176.098 176.094 -0.013 0.000 1.042 189 V CA -0.540 61.752 62.300 -0.014 0.000 0.928 189 V CB 1.555 33.372 31.823 -0.011 0.000 0.986 189 V HN 0.312 nan 8.190 nan 0.000 0.462 190 V N 2.379 122.285 119.914 -0.014 0.000 3.048 190 V HA 0.454 4.574 4.120 0.001 0.000 0.303 190 V C -0.411 175.676 176.094 -0.012 0.000 1.214 190 V CA -0.564 61.728 62.300 -0.014 0.000 0.984 190 V CB 2.286 34.099 31.823 -0.017 0.000 1.054 190 V HN 1.079 nan 8.190 nan 0.000 0.430 191 E N 2.975 123.169 120.200 -0.010 0.000 2.652 191 E HA 0.419 4.770 4.350 0.001 0.000 0.255 191 E C 0.324 176.920 176.600 -0.006 0.000 0.952 191 E CA 1.174 57.570 56.400 -0.006 0.000 0.947 191 E CB 0.754 30.450 29.700 -0.005 0.000 0.912 191 E HN 1.109 nan 8.360 nan 0.000 0.489 192 G N 1.296 110.096 108.800 -0.001 0.000 2.348 192 G HA2 0.495 4.456 3.960 0.001 0.000 0.296 192 G HA3 0.495 4.456 3.960 0.001 0.000 0.296 192 G C -1.201 173.706 174.900 0.012 0.000 1.258 192 G CA -0.407 44.693 45.100 -0.000 0.000 0.868 192 G HN 0.445 nan 8.290 nan 0.000 0.488 193 M N -0.119 119.485 119.600 0.007 0.000 2.860 193 M HA 0.453 4.934 4.480 0.001 0.000 0.270 193 M C -2.445 173.844 176.300 -0.018 0.000 0.988 193 M CA -0.556 54.762 55.300 0.030 0.000 0.807 193 M CB 2.011 34.667 32.600 0.094 0.000 1.708 193 M HN 0.899 nan 8.290 nan 0.000 0.558 194 Q N 3.527 123.318 119.800 -0.015 0.000 2.359 194 Q HA 0.764 5.105 4.340 0.001 0.000 0.274 194 Q C -2.232 173.758 176.000 -0.015 0.000 1.074 194 Q CA -0.652 55.075 55.803 -0.127 0.000 0.810 194 Q CB 2.261 30.937 28.738 -0.103 0.000 1.342 194 Q HN 0.564 nan 8.270 nan 0.000 0.427 195 F N -0.131 119.820 119.950 0.002 0.000 2.578 195 F HA 0.466 4.994 4.527 0.001 0.000 0.311 195 F C -0.739 175.066 175.800 0.008 0.000 1.094 195 F CA -1.293 56.711 58.000 0.006 0.000 0.923 195 F CB 1.112 40.118 39.000 0.009 0.000 1.230 195 F HN 0.326 nan 8.300 nan 0.000 0.450 196 D N 2.864 123.407 120.400 0.239 0.000 2.598 196 D HA 0.192 4.833 4.640 0.001 0.000 0.231 196 D C -0.382 176.031 176.300 0.187 0.000 1.127 196 D CA 0.590 54.675 54.000 0.142 0.000 1.126 196 D CB -0.203 40.658 40.800 0.102 0.000 1.124 196 D HN 0.449 nan 8.370 nan 0.000 0.485 197 R N -0.156 120.469 120.500 0.209 0.000 2.522 197 R HA 0.578 4.919 4.340 0.001 0.000 0.283 197 R C 0.013 176.361 176.300 0.080 0.000 1.074 197 R CA -0.610 55.608 56.100 0.197 0.000 0.925 197 R CB 1.808 32.331 30.300 0.371 0.000 1.205 197 R HN 0.231 nan 8.270 nan 0.000 0.436 198 G N 1.349 110.149 108.800 0.001 0.000 2.521 198 G HA2 0.356 4.317 3.960 0.001 0.000 0.323 198 G HA3 0.356 4.317 3.960 0.001 0.000 0.323 198 G C -0.918 173.964 174.900 -0.030 0.000 1.211 198 G CA -0.614 44.412 45.100 -0.122 0.000 0.979 198 G HN 0.537 nan 8.290 nan 0.000 0.490 199 Y N -1.088 119.282 120.300 0.116 0.000 2.683 199 Y HA 0.289 4.840 4.550 0.001 0.000 0.340 199 Y C 1.050 177.082 175.900 0.220 0.000 1.245 199 Y CA -0.976 57.241 58.100 0.194 0.000 1.485 199 Y CB 0.352 38.973 38.460 0.268 0.000 1.328 199 Y HN 0.160 nan 8.280 nan 0.000 0.603 200 L N 1.582 123.139 121.223 0.557 0.000 2.492 200 L HA 0.149 4.490 4.340 0.001 0.000 0.223 200 L C 0.656 177.741 176.870 0.358 0.000 1.132 200 L CA 0.995 56.078 54.840 0.405 0.000 0.850 200 L CB -0.089 42.183 42.059 0.354 0.000 0.966 200 L HN 0.759 nan 8.230 nan 0.000 0.454 201 S N -2.108 113.820 115.700 0.379 0.000 2.566 201 S HA 0.370 4.841 4.470 0.001 0.000 0.273 201 S C -2.231 172.197 174.600 -0.287 0.000 1.157 201 S CA -0.952 57.224 58.200 -0.041 0.000 0.938 201 S CB 1.517 64.424 63.200 -0.488 0.000 1.087 201 S HN -0.249 nan 8.310 nan 0.000 0.474 202 P HA -0.034 nan 4.420 nan 0.000 0.219 202 P C 0.369 177.329 177.300 -0.567 0.000 1.146 202 P CA 1.036 63.778 63.100 -0.597 0.000 0.808 202 P CB -0.088 31.380 31.700 -0.387 0.000 0.779 203 Y N -2.813 117.239 120.300 -0.414 0.000 2.632 203 Y HA -0.029 4.522 4.550 0.001 0.000 0.301 203 Y C 1.579 177.304 175.900 -0.291 0.000 1.172 203 Y CA 0.404 58.303 58.100 -0.334 0.000 1.328 203 Y CB -0.973 37.292 38.460 -0.324 0.000 1.016 203 Y HN -0.067 nan 8.280 nan 0.000 0.529 204 F N -0.481 119.403 119.950 -0.109 0.000 2.569 204 F HA 0.099 4.627 4.527 0.001 0.000 0.295 204 F C 1.058 176.778 175.800 -0.133 0.000 1.115 204 F CA -0.731 57.209 58.000 -0.100 0.000 1.450 204 F CB -0.559 38.382 39.000 -0.098 0.000 1.107 204 F HN -0.164 nan 8.300 nan 0.000 0.563 205 I N 2.984 123.510 120.570 -0.073 0.000 2.828 205 I HA -0.184 3.986 4.170 0.001 0.000 0.292 205 I C 1.077 177.184 176.117 -0.016 0.000 1.206 205 I CA 0.370 61.623 61.300 -0.078 0.000 1.420 205 I CB 0.223 38.127 38.000 -0.160 0.000 1.368 205 I HN 0.204 nan 8.210 nan 0.000 0.556 206 N N 6.054 124.760 118.700 0.009 0.000 2.184 206 N HA 0.023 4.764 4.740 0.001 0.000 0.206 206 N C -0.194 175.318 175.510 0.003 0.000 1.151 206 N CA -0.049 53.008 53.050 0.012 0.000 0.878 206 N CB 0.587 39.088 38.487 0.024 0.000 1.014 206 N HN 0.389 nan 8.380 nan 0.000 0.512 207 K N 1.817 122.217 120.400 0.001 0.000 2.624 207 K HA 0.290 4.611 4.320 0.001 0.000 0.200 207 K C -1.977 174.621 176.600 -0.003 0.000 1.036 207 K CA -1.466 54.821 56.287 0.001 0.000 1.029 207 K CB 2.404 34.908 32.500 0.007 0.000 1.317 207 K HN -0.047 nan 8.250 nan 0.000 0.555 208 P HA -0.193 nan 4.420 nan 0.000 0.216 208 P C 0.842 178.137 177.300 -0.009 0.000 1.150 208 P CA 1.220 64.308 63.100 -0.020 0.000 0.843 208 P CB 0.502 32.188 31.700 -0.023 0.000 0.787 209 E N -0.696 119.503 120.200 -0.002 0.000 2.268 209 E HA -0.063 4.288 4.350 0.001 0.000 0.195 209 E C 1.464 178.071 176.600 0.013 0.000 0.995 209 E CA 1.226 57.628 56.400 0.003 0.000 0.836 209 E CB -0.516 29.186 29.700 0.003 0.000 0.763 209 E HN 0.344 nan 8.360 nan 0.000 0.491 210 T N -1.181 113.384 114.554 0.018 0.000 3.022 210 T HA 0.202 4.553 4.350 0.001 0.000 0.250 210 T C 1.090 175.819 174.700 0.048 0.000 1.060 210 T CA 0.458 62.578 62.100 0.033 0.000 1.013 210 T CB 0.630 69.517 68.868 0.031 0.000 0.982 210 T HN 0.274 nan 8.240 nan 0.000 0.508 211 G N 1.855 110.678 108.800 0.039 0.000 2.338 211 G HA2 0.063 4.024 3.960 0.001 0.000 0.296 211 G HA3 0.063 4.024 3.960 0.001 0.000 0.296 211 G C 0.033 175.007 174.900 0.123 0.000 1.040 211 G CA 0.104 45.241 45.100 0.062 0.000 1.004 211 G HN 0.954 nan 8.290 nan 0.000 0.509 212 A N -1.345 121.524 122.820 0.083 0.000 2.566 212 A HA 0.896 5.216 4.320 0.001 0.000 0.292 212 A C -0.542 177.083 177.584 0.069 0.000 1.112 212 A CA -0.324 51.779 52.037 0.111 0.000 0.707 212 A CB 2.071 21.116 19.000 0.075 0.000 1.302 212 A HN 1.293 nan 8.150 nan 0.000 0.409 213 V N 1.467 121.435 119.914 0.089 0.000 2.357 213 V HA 0.410 4.531 4.120 0.001 0.000 0.284 213 V C -0.380 175.732 176.094 0.030 0.000 1.018 213 V CA -0.271 62.063 62.300 0.057 0.000 0.841 213 V CB 1.085 32.955 31.823 0.079 0.000 0.991 213 V HN 0.863 nan 8.190 nan 0.000 0.437 214 E N 5.381 125.590 120.200 0.015 0.000 2.145 214 E HA 0.560 4.911 4.350 0.001 0.000 0.262 214 E C -1.273 175.324 176.600 -0.004 0.000 0.883 214 E CA -0.465 55.935 56.400 0.000 0.000 0.748 214 E CB 2.040 31.739 29.700 -0.002 0.000 1.140 214 E HN 0.544 nan 8.360 nan 0.000 0.417 215 L N 3.097 124.312 121.223 -0.013 0.000 2.313 215 L HA 0.320 4.660 4.340 0.001 0.000 0.283 215 L C 0.144 177.001 176.870 -0.022 0.000 1.013 215 L CA -0.825 54.007 54.840 -0.014 0.000 0.816 215 L CB 1.459 43.508 42.059 -0.018 0.000 1.236 215 L HN 0.325 nan 8.230 nan 0.000 0.419 216 E N 2.368 122.556 120.200 -0.019 0.000 2.152 216 E HA 0.079 4.429 4.350 0.001 0.000 0.285 216 E C 0.404 176.977 176.600 -0.046 0.000 1.043 216 E CA -0.054 56.329 56.400 -0.028 0.000 0.839 216 E CB 1.241 30.929 29.700 -0.020 0.000 1.069 216 E HN 0.697 nan 8.360 nan 0.000 0.399 217 S N 2.454 118.115 115.700 -0.065 0.000 3.243 217 S HA -0.150 4.321 4.470 0.001 0.000 0.333 217 S C -2.310 172.194 174.600 -0.160 0.000 0.913 217 S CA -0.186 57.948 58.200 -0.110 0.000 1.310 217 S CB -1.575 61.555 63.200 -0.117 0.000 0.894 217 S HN 0.250 nan 8.310 nan 0.000 0.498 218 P HA 0.613 nan 4.420 nan 0.000 0.281 218 P C 0.157 177.361 177.300 -0.161 0.000 1.264 218 P CA -0.935 62.116 63.100 -0.082 0.000 0.824 218 P CB 0.350 32.049 31.700 -0.001 0.000 1.092 219 F N -0.066 119.879 119.950 -0.007 0.000 2.410 219 F HA 0.335 4.863 4.527 0.001 0.000 0.334 219 F C 0.856 176.654 175.800 -0.003 0.000 1.134 219 F CA 0.196 58.194 58.000 -0.004 0.000 1.227 219 F CB 0.133 39.131 39.000 -0.004 0.000 1.194 219 F HN 0.013 nan 8.300 nan 0.000 0.571 220 I N 3.731 124.410 120.570 0.183 0.000 2.418 220 I HA 0.217 4.388 4.170 0.001 0.000 0.287 220 I C -1.009 175.167 176.117 0.099 0.000 1.008 220 I CA -0.518 60.848 61.300 0.110 0.000 1.104 220 I CB 1.579 39.624 38.000 0.075 0.000 1.264 220 I HN 0.323 nan 8.210 nan 0.000 0.438 221 L N 7.677 128.944 121.223 0.073 0.000 2.276 221 L HA 0.470 4.810 4.340 0.001 0.000 0.286 221 L C -0.797 176.097 176.870 0.039 0.000 1.061 221 L CA -0.290 54.579 54.840 0.049 0.000 0.807 221 L CB 1.132 43.210 42.059 0.032 0.000 1.177 221 L HN 0.656 nan 8.230 nan 0.000 0.429 222 L N 6.259 127.501 121.223 0.030 0.000 2.709 222 L HA 0.400 4.740 4.340 0.001 0.000 0.236 222 L C 0.599 177.475 176.870 0.009 0.000 1.266 222 L CA -0.218 54.633 54.840 0.019 0.000 0.987 222 L CB 0.951 43.020 42.059 0.017 0.000 1.306 222 L HN 0.701 nan 8.230 nan 0.000 0.467 223 A N -0.164 122.662 122.820 0.010 0.000 2.280 223 A HA 0.277 4.597 4.320 0.001 0.000 0.268 223 A C 0.510 178.094 177.584 0.001 0.000 1.111 223 A CA 0.073 52.114 52.037 0.007 0.000 0.814 223 A CB 0.603 19.609 19.000 0.011 0.000 1.093 223 A HN 0.558 nan 8.150 nan 0.000 0.498 224 D N -1.936 118.465 120.400 0.001 0.000 2.502 224 D HA 0.114 4.755 4.640 0.001 0.000 0.232 224 D C 0.444 176.746 176.300 0.004 0.000 1.137 224 D CA 0.283 54.282 54.000 -0.002 0.000 0.827 224 D CB 0.125 40.922 40.800 -0.004 0.000 1.141 224 D HN 0.647 nan 8.370 nan 0.000 0.517 225 K N -0.194 120.211 120.400 0.008 0.000 2.240 225 K HA 0.498 4.819 4.320 0.001 0.000 0.237 225 K C -0.525 176.086 176.600 0.018 0.000 1.027 225 K CA -0.869 55.425 56.287 0.013 0.000 0.937 225 K CB 1.000 33.507 32.500 0.012 0.000 1.171 225 K HN -0.338 nan 8.250 nan 0.000 0.479 226 K N 1.409 121.821 120.400 0.021 0.000 2.310 226 K HA 0.187 4.508 4.320 0.001 0.000 0.290 226 K C -0.579 176.036 176.600 0.026 0.000 1.077 226 K CA -0.306 55.996 56.287 0.026 0.000 0.922 226 K CB 0.405 32.921 32.500 0.026 0.000 1.057 226 K HN 0.426 nan 8.250 nan 0.000 0.479 227 I N 3.709 124.297 120.570 0.031 0.000 2.389 227 I HA -0.040 4.130 4.170 0.001 0.000 0.295 227 I C 1.235 177.372 176.117 0.034 0.000 1.117 227 I CA 0.483 61.801 61.300 0.031 0.000 1.317 227 I CB -0.258 37.763 38.000 0.035 0.000 1.431 227 I HN 0.696 nan 8.210 nan 0.000 0.521 228 S N 4.530 120.246 115.700 0.027 0.000 2.591 228 S HA 0.110 4.581 4.470 0.001 0.000 0.235 228 S C 0.835 175.449 174.600 0.023 0.000 1.074 228 S CA -0.191 58.024 58.200 0.026 0.000 0.925 228 S CB 0.235 63.447 63.200 0.021 0.000 0.818 228 S HN 0.591 nan 8.310 nan 0.000 0.535 229 N N 1.307 120.018 118.700 0.018 0.000 2.518 229 N HA 0.346 5.087 4.740 0.001 0.000 0.283 229 N C 0.445 175.965 175.510 0.016 0.000 1.119 229 N CA -0.379 52.680 53.050 0.015 0.000 0.983 229 N CB 1.109 39.603 38.487 0.010 0.000 1.139 229 N HN 0.307 nan 8.380 nan 0.000 0.465 230 I N 1.886 122.465 120.570 0.015 0.000 3.291 230 I HA 0.043 4.213 4.170 0.001 0.000 0.279 230 I C 2.258 178.380 176.117 0.009 0.000 1.294 230 I CA 0.332 61.641 61.300 0.015 0.000 1.428 230 I CB -0.303 37.706 38.000 0.014 0.000 1.070 230 I HN 0.513 nan 8.210 nan 0.000 0.478 231 R N 1.807 122.311 120.500 0.007 0.000 2.066 231 R HA -0.161 4.179 4.340 0.001 0.000 0.232 231 R C 1.980 178.281 176.300 0.001 0.000 1.131 231 R CA 1.549 57.651 56.100 0.003 0.000 0.955 231 R CB -0.069 30.233 30.300 0.002 0.000 0.851 231 R HN 0.300 nan 8.270 nan 0.000 0.432 232 E N 0.107 120.309 120.200 0.003 0.000 2.219 232 E HA -0.228 4.123 4.350 0.001 0.000 0.198 232 E C 1.739 178.338 176.600 -0.001 0.000 0.998 232 E CA 1.613 58.014 56.400 0.002 0.000 0.818 232 E CB -0.079 29.624 29.700 0.005 0.000 0.741 232 E HN 0.254 nan 8.360 nan 0.000 0.477 233 M N -0.439 119.162 119.600 0.001 0.000 2.156 233 M HA -0.015 4.466 4.480 0.001 0.000 0.264 233 M C 1.686 177.980 176.300 -0.011 0.000 1.067 233 M CA 1.113 56.412 55.300 -0.003 0.000 1.131 233 M CB -0.090 32.513 32.600 0.005 0.000 1.368 233 M HN 0.074 nan 8.290 nan 0.000 0.416 234 L N 0.112 121.330 121.223 -0.009 0.000 2.064 234 L HA -0.258 4.083 4.340 0.001 0.000 0.216 234 L C -0.542 176.316 176.870 -0.021 0.000 1.077 234 L CA 1.478 56.311 54.840 -0.013 0.000 0.766 234 L CB -2.670 39.383 42.059 -0.009 0.000 0.890 234 L HN 0.265 nan 8.230 nan 0.000 0.435 235 P HA -0.134 nan 4.420 nan 0.000 0.214 235 P C 1.845 179.116 177.300 -0.048 0.000 1.162 235 P CA 2.027 65.108 63.100 -0.032 0.000 0.879 235 P CB -0.233 31.451 31.700 -0.027 0.000 0.786 236 V N -2.529 117.356 119.914 -0.049 0.000 2.548 236 V HA -0.110 4.011 4.120 0.001 0.000 0.249 236 V C 2.510 178.556 176.094 -0.080 0.000 1.055 236 V CA 1.282 63.538 62.300 -0.073 0.000 1.065 236 V CB -1.921 29.867 31.823 -0.059 0.000 0.681 236 V HN -0.096 nan 8.190 nan 0.000 0.462 237 L N 0.453 121.646 121.223 -0.049 0.000 2.478 237 L HA 0.092 4.433 4.340 0.001 0.000 0.223 237 L C 2.363 179.208 176.870 -0.042 0.000 1.140 237 L CA 1.809 56.626 54.840 -0.038 0.000 0.842 237 L CB -0.407 41.643 42.059 -0.015 0.000 0.953 237 L HN 0.542 nan 8.230 nan 0.000 0.452 238 E N -1.393 118.778 120.200 -0.049 0.000 2.364 238 E HA 0.009 4.359 4.350 0.001 0.000 0.196 238 E C 1.956 178.517 176.600 -0.064 0.000 0.990 238 E CA 0.641 57.015 56.400 -0.044 0.000 0.886 238 E CB 0.243 29.923 29.700 -0.034 0.000 0.866 238 E HN 0.505 nan 8.360 nan 0.000 0.493 239 A N 0.963 123.725 122.820 -0.098 0.000 1.903 239 A HA -0.048 4.273 4.320 0.001 0.000 0.213 239 A C 2.175 179.642 177.584 -0.195 0.000 1.185 239 A CA 1.090 53.043 52.037 -0.140 0.000 0.628 239 A CB -0.455 18.442 19.000 -0.171 0.000 0.830 239 A HN 0.244 nan 8.150 nan 0.000 0.446 240 V N -3.254 116.529 119.914 -0.219 0.000 3.573 240 V HA 0.370 4.490 4.120 0.001 0.000 0.270 240 V C 1.826 177.885 176.094 -0.059 0.000 1.221 240 V CA 1.158 63.331 62.300 -0.212 0.000 1.163 240 V CB -0.745 30.961 31.823 -0.195 0.000 0.847 240 V HN 0.442 nan 8.190 nan 0.000 0.468 241 A N 0.971 123.761 122.820 -0.050 0.000 1.871 241 A HA 0.143 4.464 4.320 0.001 0.000 0.211 241 A C 2.201 179.780 177.584 -0.007 0.000 1.207 241 A CA 1.042 53.070 52.037 -0.015 0.000 0.620 241 A CB -0.284 18.707 19.000 -0.016 0.000 0.860 241 A HN 0.472 nan 8.150 nan 0.000 0.450 242 K N 0.194 120.582 120.400 -0.021 0.000 2.439 242 K HA 0.128 4.449 4.320 0.001 0.000 0.197 242 K C 1.637 178.239 176.600 0.003 0.000 1.041 242 K CA 0.665 56.946 56.287 -0.010 0.000 0.970 242 K CB -0.092 32.396 32.500 -0.019 0.000 0.773 242 K HN 0.413 nan 8.250 nan 0.000 0.479 243 A N 0.842 123.664 122.820 0.002 0.000 2.208 243 A HA 0.154 4.475 4.320 0.001 0.000 0.209 243 A C 1.316 178.965 177.584 0.107 0.000 1.161 243 A CA 0.619 52.694 52.037 0.063 0.000 0.782 243 A CB -0.325 18.711 19.000 0.060 0.000 0.816 243 A HN 0.342 nan 8.150 nan 0.000 0.477 244 G N -0.183 108.659 108.800 0.070 0.000 2.323 244 G HA2 -0.263 3.698 3.960 0.001 0.000 0.292 244 G HA3 -0.263 3.698 3.960 0.001 0.000 0.292 244 G C -0.003 174.952 174.900 0.092 0.000 1.040 244 G CA 0.953 46.092 45.100 0.065 0.000 0.942 244 G HN 0.590 nan 8.290 nan 0.000 0.506 245 K N -0.460 120.023 120.400 0.137 0.000 2.477 245 K HA 0.501 4.822 4.320 0.001 0.000 0.255 245 K C -2.635 174.058 176.600 0.155 0.000 0.952 245 K CA -2.118 54.268 56.287 0.166 0.000 0.826 245 K CB 2.639 35.314 32.500 0.291 0.000 1.331 245 K HN -0.024 nan 8.250 nan 0.000 0.437 246 P HA 0.203 nan 4.420 nan 0.000 0.275 246 P C -1.163 176.213 177.300 0.126 0.000 1.266 246 P CA -0.642 62.507 63.100 0.082 0.000 0.793 246 P CB 0.606 32.328 31.700 0.037 0.000 1.074 247 L N 1.052 122.318 121.223 0.072 0.000 2.505 247 L HA 0.414 4.754 4.340 0.001 0.000 0.266 247 L C -1.731 175.146 176.870 0.012 0.000 0.954 247 L CA -0.767 54.121 54.840 0.080 0.000 0.852 247 L CB 1.548 43.646 42.059 0.065 0.000 1.282 247 L HN 0.280 nan 8.230 nan 0.000 0.403 248 L N 6.014 127.252 121.223 0.026 0.000 2.282 248 L HA 0.535 4.875 4.340 0.001 0.000 0.288 248 L C -0.630 176.248 176.870 0.014 0.000 1.033 248 L CA -0.457 54.380 54.840 -0.005 0.000 0.807 248 L CB 1.698 43.766 42.059 0.014 0.000 1.209 248 L HN 0.611 nan 8.230 nan 0.000 0.423 249 I N 6.073 126.637 120.570 -0.009 0.000 2.354 249 I HA 0.382 4.553 4.170 0.001 0.000 0.292 249 I C -0.344 175.798 176.117 0.042 0.000 0.989 249 I CA -0.418 60.892 61.300 0.015 0.000 1.188 249 I CB 1.854 39.857 38.000 0.004 0.000 1.342 249 I HN 0.440 nan 8.210 nan 0.000 0.457 250 I N 6.253 126.853 120.570 0.050 0.000 2.411 250 I HA 0.715 4.886 4.170 0.001 0.000 0.284 250 I C -0.071 176.058 176.117 0.019 0.000 1.012 250 I CA -0.108 61.222 61.300 0.051 0.000 1.119 250 I CB 1.575 39.610 38.000 0.059 0.000 1.261 250 I HN 0.688 nan 8.210 nan 0.000 0.448 251 A N 4.687 127.519 122.820 0.020 0.000 2.529 251 A HA 0.510 4.831 4.320 0.001 0.000 0.296 251 A C 0.707 178.301 177.584 0.016 0.000 1.205 251 A CA -0.494 51.551 52.037 0.012 0.000 0.671 251 A CB 1.120 20.133 19.000 0.021 0.000 1.301 251 A HN 0.564 nan 8.150 nan 0.000 0.450 252 E N 0.125 120.334 120.200 0.016 0.000 2.068 252 E HA -0.201 4.149 4.350 0.001 0.000 0.207 252 E C -0.084 176.539 176.600 0.038 0.000 1.032 252 E CA 2.110 58.525 56.400 0.025 0.000 0.839 252 E CB 0.108 29.823 29.700 0.026 0.000 0.758 252 E HN 0.597 nan 8.360 nan 0.000 0.457 253 D N -2.403 118.023 120.400 0.043 0.000 2.738 253 D HA 0.207 4.848 4.640 0.001 0.000 0.308 253 D C -1.651 174.686 176.300 0.061 0.000 1.311 253 D CA -0.447 53.587 54.000 0.056 0.000 0.799 253 D CB 1.829 42.660 40.800 0.052 0.000 1.332 253 D HN -0.205 nan 8.370 nan 0.000 0.441 254 V N 1.729 121.689 119.914 0.077 0.000 2.488 254 V HA 0.317 4.437 4.120 0.001 0.000 0.293 254 V C -0.324 175.816 176.094 0.075 0.000 1.027 254 V CA -0.676 61.672 62.300 0.080 0.000 0.862 254 V CB 1.500 33.387 31.823 0.108 0.000 1.008 254 V HN 0.407 nan 8.190 nan 0.000 0.428 255 E N 2.475 122.708 120.200 0.056 0.000 2.343 255 E HA 0.475 4.826 4.350 0.001 0.000 0.269 255 E C 1.442 178.068 176.600 0.042 0.000 1.047 255 E CA 0.829 57.257 56.400 0.045 0.000 0.874 255 E CB 1.523 31.243 29.700 0.033 0.000 1.033 255 E HN 0.697 nan 8.360 nan 0.000 0.409 256 G N 2.671 111.491 108.800 0.034 0.000 2.740 256 G HA2 -0.469 3.491 3.960 0.001 0.000 0.224 256 G HA3 -0.469 3.491 3.960 0.001 0.000 0.224 256 G C 1.305 176.215 174.900 0.017 0.000 1.156 256 G CA 1.482 46.595 45.100 0.022 0.000 0.766 256 G HN 0.762 nan 8.290 nan 0.000 0.623 257 E N 0.365 120.575 120.200 0.016 0.000 2.164 257 E HA -0.208 4.143 4.350 0.001 0.000 0.206 257 E C 2.499 179.109 176.600 0.017 0.000 1.032 257 E CA 1.643 58.051 56.400 0.012 0.000 0.832 257 E CB -0.279 29.428 29.700 0.013 0.000 0.742 257 E HN 0.486 nan 8.360 nan 0.000 0.460 258 A N -0.082 122.756 122.820 0.029 0.000 2.167 258 A HA 0.152 4.473 4.320 0.001 0.000 0.208 258 A C 1.859 179.481 177.584 0.062 0.000 1.198 258 A CA -0.007 52.053 52.037 0.040 0.000 0.863 258 A CB -0.120 18.904 19.000 0.041 0.000 0.904 258 A HN 0.338 nan 8.150 nan 0.000 0.484 259 L N -0.143 121.120 121.223 0.067 0.000 1.988 259 L HA -0.017 4.324 4.340 0.001 0.000 0.207 259 L C 2.645 179.543 176.870 0.047 0.000 1.071 259 L CA 1.781 56.679 54.840 0.097 0.000 0.744 259 L CB -0.360 41.755 42.059 0.092 0.000 0.893 259 L HN 0.297 nan 8.230 nan 0.000 0.433 260 A N -0.638 122.182 122.820 0.001 0.000 2.024 260 A HA -0.212 4.108 4.320 0.001 0.000 0.220 260 A C 2.259 179.814 177.584 -0.049 0.000 1.164 260 A CA 2.226 54.231 52.037 -0.052 0.000 0.643 260 A CB -1.218 17.750 19.000 -0.053 0.000 0.806 260 A HN 0.680 nan 8.150 nan 0.000 0.451 261 T N -1.224 113.324 114.554 -0.009 0.000 2.770 261 T HA -0.018 4.333 4.350 0.001 0.000 0.263 261 T C 1.852 176.566 174.700 0.022 0.000 1.039 261 T CA 1.185 63.284 62.100 -0.001 0.000 1.142 261 T CB -0.564 68.309 68.868 0.009 0.000 0.868 261 T HN 0.275 nan 8.240 nan 0.000 0.435 262 L N 0.852 122.116 121.223 0.069 0.000 2.127 262 L HA -0.089 4.252 4.340 0.001 0.000 0.211 262 L C 2.878 179.846 176.870 0.163 0.000 1.089 262 L CA 0.815 55.738 54.840 0.138 0.000 0.757 262 L CB -0.679 41.508 42.059 0.213 0.000 0.899 262 L HN 0.182 nan 8.230 nan 0.000 0.434 263 V N -0.510 119.432 119.914 0.046 0.000 2.233 263 V HA -0.283 3.838 4.120 0.001 0.000 0.247 263 V C 2.343 178.375 176.094 -0.105 0.000 1.050 263 V CA 1.921 64.141 62.300 -0.133 0.000 1.010 263 V CB -0.363 31.285 31.823 -0.292 0.000 0.637 263 V HN 0.228 nan 8.190 nan 0.000 0.444 264 V N 0.480 120.326 119.914 -0.112 0.000 2.626 264 V HA -0.200 3.921 4.120 0.001 0.000 0.252 264 V C 2.242 178.318 176.094 -0.031 0.000 1.067 264 V CA 1.847 64.090 62.300 -0.096 0.000 1.081 264 V CB -1.049 30.714 31.823 -0.100 0.000 0.686 264 V HN 0.625 nan 8.190 nan 0.000 0.468 265 N N 0.753 119.455 118.700 0.003 0.000 2.289 265 N HA -0.161 4.579 4.740 0.001 0.000 0.184 265 N C 1.918 177.457 175.510 0.047 0.000 1.016 265 N CA 2.068 55.134 53.050 0.027 0.000 0.872 265 N CB 0.231 38.743 38.487 0.043 0.000 0.973 265 N HN 0.739 nan 8.380 nan 0.000 0.433 266 T N -1.403 113.195 114.554 0.074 0.000 2.980 266 T HA 0.043 4.393 4.350 0.001 0.000 0.239 266 T C 1.374 176.112 174.700 0.064 0.000 1.011 266 T CA -0.076 62.080 62.100 0.095 0.000 1.171 266 T CB -0.453 68.528 68.868 0.188 0.000 0.873 266 T HN 0.194 nan 8.240 nan 0.000 0.431 267 M N 2.124 121.753 119.600 0.049 0.000 2.921 267 M HA 0.361 4.842 4.480 0.001 0.000 0.319 267 M C -0.290 176.019 176.300 0.014 0.000 1.710 267 M CA 0.136 55.459 55.300 0.038 0.000 1.471 267 M CB -0.631 31.996 32.600 0.045 0.000 1.832 267 M HN 0.186 nan 8.290 nan 0.000 0.467 268 R N 2.145 122.656 120.500 0.019 0.000 2.994 268 R HA -0.109 4.232 4.340 0.001 0.000 0.267 268 R C -0.293 176.010 176.300 0.005 0.000 0.914 268 R CA 0.852 56.957 56.100 0.008 0.000 0.668 268 R CB -1.922 28.378 30.300 -0.000 0.000 1.524 268 R HN 1.124 nan 8.270 nan 0.000 0.478 269 G N -0.266 108.542 108.800 0.013 0.000 2.559 269 G HA2 0.487 4.447 3.960 0.001 0.000 0.291 269 G HA3 0.487 4.447 3.960 0.001 0.000 0.291 269 G C 0.695 175.606 174.900 0.018 0.000 1.424 269 G CA -0.660 44.447 45.100 0.012 0.000 0.786 269 G HN 0.076 nan 8.290 nan 0.000 0.485 270 I N -0.317 120.261 120.570 0.015 0.000 2.034 270 I HA -0.110 4.061 4.170 0.001 0.000 0.228 270 I C 1.080 177.210 176.117 0.022 0.000 1.041 270 I CA 1.137 62.446 61.300 0.015 0.000 1.321 270 I CB -0.418 37.588 38.000 0.010 0.000 1.062 270 I HN 0.124 nan 8.210 nan 0.000 0.389 271 V N 2.063 121.991 119.914 0.024 0.000 2.439 271 V HA 0.073 4.193 4.120 0.001 0.000 0.271 271 V C 0.126 176.246 176.094 0.043 0.000 1.040 271 V CA -0.397 61.920 62.300 0.029 0.000 1.002 271 V CB 0.323 32.159 31.823 0.022 0.000 1.000 271 V HN 0.220 nan 8.190 nan 0.000 0.477 272 K N 4.465 124.892 120.400 0.044 0.000 2.267 272 K HA 0.574 4.895 4.320 0.001 0.000 0.282 272 K C -0.439 176.186 176.600 0.043 0.000 1.078 272 K CA -0.299 56.022 56.287 0.056 0.000 0.903 272 K CB 0.985 33.514 32.500 0.049 0.000 1.111 272 K HN 0.766 nan 8.250 nan 0.000 0.475 273 V N -0.213 119.726 119.914 0.043 0.000 3.156 273 V HA 0.990 5.111 4.120 0.001 0.000 0.310 273 V C -1.300 174.664 176.094 -0.217 0.000 1.234 273 V CA -1.011 61.266 62.300 -0.039 0.000 1.065 273 V CB 1.764 33.571 31.823 -0.026 0.000 1.088 273 V HN 0.705 nan 8.190 nan 0.000 0.451 274 A N 0.107 122.664 122.820 -0.438 0.000 2.604 274 A HA 1.049 5.370 4.320 0.001 0.000 0.295 274 A C -0.595 176.596 177.584 -0.655 0.000 1.067 274 A CA -0.225 51.158 52.037 -1.090 0.000 0.683 274 A CB 1.407 19.949 19.000 -0.762 0.000 1.281 274 A HN 2.631 nan 8.150 nan 0.000 0.407 275 A N 0.321 122.721 122.820 -0.701 0.000 2.435 275 A HA 0.907 5.228 4.320 0.001 0.000 0.304 275 A C -0.511 177.079 177.584 0.010 0.000 1.064 275 A CA -0.068 51.862 52.037 -0.179 0.000 0.727 275 A CB 1.471 20.443 19.000 -0.045 0.000 1.284 275 A HN 2.353 nan 8.150 nan 0.000 0.415 276 V N -1.009 118.952 119.914 0.077 0.000 3.007 276 V HA 0.632 4.753 4.120 0.001 0.000 0.311 276 V C -0.443 175.733 176.094 0.137 0.000 1.120 276 V CA -1.271 61.116 62.300 0.146 0.000 0.980 276 V CB 1.426 33.359 31.823 0.183 0.000 1.033 276 V HN 0.897 nan 8.190 nan 0.000 0.429 277 K N 1.797 122.275 120.400 0.130 0.000 2.336 277 K HA 0.601 4.921 4.320 0.001 0.000 0.262 277 K C 0.485 177.115 176.600 0.050 0.000 0.992 277 K CA 0.413 56.752 56.287 0.086 0.000 0.927 277 K CB 0.850 33.397 32.500 0.078 0.000 0.956 277 K HN 1.124 nan 8.250 nan 0.000 0.495 278 A N 3.482 126.288 122.820 -0.023 0.000 2.386 278 A HA 0.260 4.581 4.320 0.001 0.000 0.248 278 A C -2.103 175.371 177.584 -0.184 0.000 1.082 278 A CA -1.227 50.719 52.037 -0.153 0.000 0.789 278 A CB -0.278 18.654 19.000 -0.113 0.000 1.025 278 A HN 0.466 nan 8.150 nan 0.000 0.490 279 P HA 0.397 nan 4.420 nan 0.000 0.271 279 P C 0.559 177.801 177.300 -0.097 0.000 1.218 279 P CA 1.407 64.355 63.100 -0.254 0.000 0.780 279 P CB 0.577 32.001 31.700 -0.459 0.000 0.901 280 G N 1.973 110.792 108.800 0.032 0.000 2.860 280 G HA2 -0.029 3.931 3.960 0.001 0.000 0.553 280 G HA3 -0.029 3.931 3.960 0.001 0.000 0.553 280 G C -0.949 174.059 174.900 0.180 0.000 1.439 280 G CA -0.274 44.881 45.100 0.092 0.000 0.879 280 G HN 0.667 nan 8.290 nan 0.000 0.545 281 F N -1.239 118.708 119.950 -0.006 0.000 2.578 281 F HA 0.821 5.349 4.527 0.001 0.000 0.311 281 F C 0.967 176.770 175.800 0.005 0.000 1.094 281 F CA -0.063 57.937 58.000 -0.000 0.000 0.923 281 F CB 1.262 40.269 39.000 0.010 0.000 1.230 281 F HN 2.388 nan 8.300 nan 0.000 0.450 282 G N 2.299 111.138 108.800 0.066 0.000 2.536 282 G HA2 -0.321 3.640 3.960 0.001 0.000 0.280 282 G HA3 -0.321 3.640 3.960 0.001 0.000 0.280 282 G C 0.371 175.229 174.900 -0.071 0.000 1.152 282 G CA 0.527 45.627 45.100 -0.001 0.000 0.970 282 G HN 0.761 nan 8.290 nan 0.000 0.549 283 D N 0.519 120.861 120.400 -0.097 0.000 2.264 283 D HA -0.001 4.640 4.640 0.001 0.000 0.208 283 D C 2.457 178.691 176.300 -0.110 0.000 0.966 283 D CA 1.177 55.127 54.000 -0.083 0.000 0.864 283 D CB -0.127 40.634 40.800 -0.064 0.000 0.933 283 D HN 0.291 nan 8.370 nan 0.000 0.499 284 R N 1.028 121.419 120.500 -0.181 0.000 2.066 284 R HA -0.019 4.322 4.340 0.001 0.000 0.232 284 R C 2.236 178.457 176.300 -0.132 0.000 1.131 284 R CA 1.034 57.027 56.100 -0.178 0.000 0.955 284 R CB -0.362 29.775 30.300 -0.273 0.000 0.851 284 R HN 0.157 nan 8.270 nan 0.000 0.432 285 R N 1.007 121.434 120.500 -0.122 0.000 2.127 285 R HA -0.164 4.177 4.340 0.001 0.000 0.238 285 R C 1.295 177.550 176.300 -0.076 0.000 1.134 285 R CA 1.480 57.526 56.100 -0.090 0.000 0.975 285 R CB -0.246 30.021 30.300 -0.055 0.000 0.865 285 R HN 0.076 nan 8.270 nan 0.000 0.447 286 K N 0.863 121.225 120.400 -0.063 0.000 1.988 286 K HA -0.180 4.141 4.320 0.001 0.000 0.221 286 K C 2.215 178.784 176.600 -0.051 0.000 1.053 286 K CA 2.026 58.284 56.287 -0.048 0.000 0.959 286 K CB -0.593 31.883 32.500 -0.041 0.000 0.728 286 K HN 0.355 nan 8.250 nan 0.000 0.447 287 A N 1.339 124.126 122.820 -0.055 0.000 1.929 287 A HA -0.072 4.248 4.320 0.001 0.000 0.216 287 A C 2.224 179.773 177.584 -0.059 0.000 1.176 287 A CA 1.144 53.151 52.037 -0.050 0.000 0.628 287 A CB -0.349 18.622 19.000 -0.048 0.000 0.816 287 A HN 0.212 nan 8.150 nan 0.000 0.444 288 M N -1.178 118.376 119.600 -0.078 0.000 2.202 288 M HA -0.137 4.344 4.480 0.001 0.000 0.262 288 M C 2.116 178.349 176.300 -0.111 0.000 1.063 288 M CA 1.336 56.580 55.300 -0.095 0.000 1.097 288 M CB -0.505 32.024 32.600 -0.118 0.000 1.382 288 M HN 0.497 nan 8.290 nan 0.000 0.413 289 L N 0.036 121.197 121.223 -0.104 0.000 2.162 289 L HA -0.120 4.220 4.340 0.001 0.000 0.205 289 L C 2.329 179.165 176.870 -0.055 0.000 1.086 289 L CA 1.517 56.298 54.840 -0.098 0.000 0.778 289 L CB -0.558 41.451 42.059 -0.084 0.000 0.928 289 L HN 0.188 nan 8.230 nan 0.000 0.446 290 Q N -0.199 119.575 119.800 -0.043 0.000 2.226 290 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 290 Q C 1.612 177.601 176.000 -0.019 0.000 0.975 290 Q CA 1.812 57.599 55.803 -0.026 0.000 0.866 290 Q CB -0.227 28.497 28.738 -0.024 0.000 0.915 290 Q HN 0.513 nan 8.270 nan 0.000 0.440 291 D N -0.351 120.034 120.400 -0.025 0.000 2.097 291 D HA -0.132 4.509 4.640 0.001 0.000 0.195 291 D C 1.698 178.001 176.300 0.004 0.000 0.989 291 D CA 1.412 55.405 54.000 -0.012 0.000 0.827 291 D CB -0.138 40.653 40.800 -0.015 0.000 0.966 291 D HN 0.391 nan 8.370 nan 0.000 0.456 292 I N 0.807 121.380 120.570 0.005 0.000 2.315 292 I HA -0.196 3.975 4.170 0.001 0.000 0.248 292 I C 2.435 178.569 176.117 0.029 0.000 1.117 292 I CA 0.723 62.045 61.300 0.036 0.000 1.404 292 I CB -0.357 37.672 38.000 0.049 0.000 1.071 292 I HN -0.082 nan 8.210 nan 0.000 0.419 293 A N 1.351 124.179 122.820 0.013 0.000 1.849 293 A HA -0.263 4.057 4.320 0.001 0.000 0.217 293 A C 2.429 180.021 177.584 0.014 0.000 1.202 293 A CA 2.932 54.978 52.037 0.015 0.000 0.629 293 A CB -1.366 17.637 19.000 0.006 0.000 0.834 293 A HN 0.395 nan 8.150 nan 0.000 0.447 294 T N 0.077 114.636 114.554 0.008 0.000 2.653 294 T HA -0.226 4.125 4.350 0.001 0.000 0.268 294 T C 1.818 176.523 174.700 0.010 0.000 1.035 294 T CA 1.764 63.868 62.100 0.007 0.000 1.154 294 T CB -0.500 68.370 68.868 0.003 0.000 0.862 294 T HN 0.359 nan 8.240 nan 0.000 0.441 295 L N 1.631 122.862 121.223 0.015 0.000 2.131 295 L HA -0.029 4.312 4.340 0.001 0.000 0.210 295 L C 2.347 179.225 176.870 0.014 0.000 1.092 295 L CA 2.039 56.889 54.840 0.016 0.000 0.759 295 L CB -0.783 41.293 42.059 0.027 0.000 0.903 295 L HN 0.452 nan 8.230 nan 0.000 0.435 296 T N -4.369 110.196 114.554 0.019 0.000 3.069 296 T HA 0.341 4.691 4.350 0.001 0.000 0.252 296 T C 1.314 176.023 174.700 0.015 0.000 1.053 296 T CA 0.153 62.262 62.100 0.015 0.000 0.964 296 T CB -0.213 68.671 68.868 0.026 0.000 1.005 296 T HN 0.554 nan 8.240 nan 0.000 0.532 297 G N 0.717 109.526 108.800 0.015 0.000 2.283 297 G HA2 -0.018 3.943 3.960 0.001 0.000 0.280 297 G HA3 -0.018 3.943 3.960 0.001 0.000 0.280 297 G C 0.365 175.282 174.900 0.027 0.000 1.029 297 G CA -0.083 45.028 45.100 0.017 0.000 0.840 297 G HN 1.053 nan 8.290 nan 0.000 0.505 298 G N -1.603 107.215 108.800 0.030 0.000 2.491 298 G HA2 0.736 4.697 3.960 0.001 0.000 0.327 298 G HA3 0.736 4.697 3.960 0.001 0.000 0.327 298 G C -0.243 174.673 174.900 0.027 0.000 1.189 298 G CA 0.170 45.293 45.100 0.039 0.000 0.956 298 G HN 0.544 nan 8.290 nan 0.000 0.491 299 T N 0.234 114.804 114.554 0.027 0.000 2.824 299 T HA 0.464 4.815 4.350 0.001 0.000 0.280 299 T C 0.275 174.982 174.700 0.013 0.000 0.995 299 T CA -0.358 61.752 62.100 0.016 0.000 1.009 299 T CB 1.491 70.368 68.868 0.015 0.000 0.955 299 T HN 0.675 nan 8.240 nan 0.000 0.452 300 V N 1.574 121.492 119.914 0.006 0.000 2.461 300 V HA 0.480 4.600 4.120 0.001 0.000 0.275 300 V C -0.098 175.996 176.094 0.001 0.000 1.047 300 V CA -0.816 61.485 62.300 0.002 0.000 0.955 300 V CB -0.086 31.733 31.823 -0.005 0.000 0.988 300 V HN 0.729 nan 8.190 nan 0.000 0.471 301 I N 4.589 125.160 120.570 0.002 0.000 2.241 301 I HA 0.244 4.414 4.170 0.001 0.000 0.294 301 I C 0.723 176.840 176.117 0.000 0.000 1.145 301 I CA 0.738 62.039 61.300 0.002 0.000 1.261 301 I CB 0.076 38.078 38.000 0.003 0.000 1.475 301 I HN 0.663 nan 8.210 nan 0.000 0.533 302 S N 4.551 120.250 115.700 -0.001 0.000 2.513 302 S HA 0.245 4.715 4.470 0.001 0.000 0.276 302 S C 1.126 175.726 174.600 -0.000 0.000 1.254 302 S CA -0.790 57.409 58.200 -0.002 0.000 1.053 302 S CB 1.415 64.612 63.200 -0.004 0.000 0.958 302 S HN 0.462 nan 8.310 nan 0.000 0.491 303 E N 2.381 122.582 120.200 0.001 0.000 2.208 303 E HA -0.120 4.230 4.350 0.001 0.000 0.193 303 E C 0.877 177.477 176.600 0.001 0.000 0.988 303 E CA 0.832 57.234 56.400 0.002 0.000 0.828 303 E CB -0.069 29.634 29.700 0.004 0.000 0.763 303 E HN 0.730 nan 8.360 nan 0.000 0.478 304 E N 0.137 120.337 120.200 0.000 0.000 2.516 304 E HA -0.016 4.335 4.350 0.001 0.000 0.199 304 E C 1.404 178.003 176.600 -0.001 0.000 1.069 304 E CA 0.281 56.681 56.400 -0.000 0.000 0.876 304 E CB 0.035 29.734 29.700 -0.001 0.000 0.843 304 E HN 0.285 nan 8.360 nan 0.000 0.530 305 I N -2.064 118.505 120.570 -0.001 0.000 4.312 305 I HA 0.244 4.415 4.170 0.001 0.000 0.324 305 I C 1.520 177.636 176.117 -0.001 0.000 1.298 305 I CA 0.303 61.602 61.300 -0.001 0.000 1.231 305 I CB 1.022 39.022 38.000 -0.002 0.000 1.152 305 I HN 0.227 nan 8.210 nan 0.000 0.421 306 G N 1.454 110.254 108.800 -0.000 0.000 2.307 306 G HA2 -0.206 3.754 3.960 0.001 0.000 0.210 306 G HA3 -0.206 3.754 3.960 0.001 0.000 0.210 306 G C 0.365 175.265 174.900 -0.000 0.000 1.005 306 G CA -0.404 44.696 45.100 0.000 0.000 0.634 306 G HN 0.166 nan 8.290 nan 0.000 0.496 307 M N 1.553 121.152 119.600 -0.000 0.000 2.248 307 M HA 0.528 5.008 4.480 0.001 0.000 0.345 307 M C 0.417 176.717 176.300 -0.000 0.000 1.243 307 M CA 0.706 56.006 55.300 -0.001 0.000 1.090 307 M CB 0.751 33.350 32.600 -0.000 0.000 1.683 307 M HN 0.273 nan 8.290 nan 0.000 0.450 308 E N 1.682 121.882 120.200 -0.001 0.000 2.281 308 E HA 0.375 4.726 4.350 0.001 0.000 0.257 308 E C 0.199 176.798 176.600 -0.002 0.000 0.971 308 E CA -0.645 55.755 56.400 -0.000 0.000 0.839 308 E CB 1.495 31.195 29.700 -0.000 0.000 1.238 308 E HN 0.738 nan 8.360 nan 0.000 0.412 309 L N 0.938 122.160 121.223 -0.001 0.000 2.217 309 L HA -0.064 4.277 4.340 0.001 0.000 0.211 309 L C 1.948 178.814 176.870 -0.007 0.000 1.107 309 L CA 0.861 55.700 54.840 -0.003 0.000 0.783 309 L CB -0.226 41.833 42.059 0.000 0.000 0.919 309 L HN 0.572 nan 8.230 nan 0.000 0.442 310 E N 0.663 120.860 120.200 -0.006 0.000 2.265 310 E HA -0.165 4.185 4.350 0.001 0.000 0.196 310 E C 0.564 177.158 176.600 -0.010 0.000 0.996 310 E CA 0.846 57.241 56.400 -0.008 0.000 0.832 310 E CB 0.096 29.792 29.700 -0.006 0.000 0.756 310 E HN 0.311 nan 8.360 nan 0.000 0.491 311 K N 0.538 120.933 120.400 -0.008 0.000 3.016 311 K HA 0.334 4.655 4.320 0.001 0.000 0.226 311 K C -0.979 175.615 176.600 -0.009 0.000 1.245 311 K CA -0.208 56.074 56.287 -0.008 0.000 1.174 311 K CB 1.545 34.042 32.500 -0.005 0.000 1.572 311 K HN -0.031 nan 8.250 nan 0.000 0.462 312 A N 0.201 123.013 122.820 -0.014 0.000 2.488 312 A HA 0.678 4.998 4.320 0.001 0.000 0.298 312 A C -0.488 177.079 177.584 -0.030 0.000 1.044 312 A CA -0.645 51.382 52.037 -0.017 0.000 0.693 312 A CB 1.256 20.248 19.000 -0.014 0.000 1.272 312 A HN 0.213 nan 8.150 nan 0.000 0.402 313 T N 1.504 116.039 114.554 -0.031 0.000 2.905 313 T HA 0.462 4.813 4.350 0.001 0.000 0.283 313 T C 1.399 176.062 174.700 -0.062 0.000 1.031 313 T CA -0.562 61.508 62.100 -0.050 0.000 1.002 313 T CB 0.716 69.562 68.868 -0.036 0.000 1.200 313 T HN 0.402 nan 8.240 nan 0.000 0.560 314 L N 0.834 121.995 121.223 -0.103 0.000 2.043 314 L HA -0.168 4.172 4.340 0.001 0.000 0.212 314 L C 2.694 179.571 176.870 0.012 0.000 1.075 314 L CA 1.797 56.560 54.840 -0.129 0.000 0.752 314 L CB -1.096 40.845 42.059 -0.197 0.000 0.891 314 L HN 0.847 nan 8.230 nan 0.000 0.432 315 E N -0.461 119.750 120.200 0.017 0.000 2.333 315 E HA -0.261 4.089 4.350 0.001 0.000 0.200 315 E C 1.010 177.635 176.600 0.040 0.000 1.010 315 E CA 1.538 57.962 56.400 0.040 0.000 0.841 315 E CB -0.382 29.332 29.700 0.023 0.000 0.757 315 E HN 0.570 nan 8.360 nan 0.000 0.508 316 D N 0.338 120.755 120.400 0.028 0.000 2.240 316 D HA 0.037 4.678 4.640 0.001 0.000 0.206 316 D C 0.342 176.672 176.300 0.049 0.000 0.963 316 D CA 0.181 54.198 54.000 0.028 0.000 0.863 316 D CB 0.112 40.919 40.800 0.011 0.000 0.973 316 D HN 0.122 nan 8.370 nan 0.000 0.501 317 L N 1.294 122.561 121.223 0.073 0.000 2.426 317 L HA 0.275 4.616 4.340 0.001 0.000 0.271 317 L C 1.445 178.407 176.870 0.154 0.000 1.169 317 L CA -0.023 54.892 54.840 0.125 0.000 0.836 317 L CB 0.498 42.664 42.059 0.178 0.000 1.112 317 L HN -0.141 nan 8.230 nan 0.000 0.465 318 G N 2.145 111.015 108.800 0.118 0.000 2.616 318 G HA2 0.459 4.419 3.960 0.001 0.000 0.268 318 G HA3 0.459 4.419 3.960 0.001 0.000 0.268 318 G C -0.739 174.198 174.900 0.061 0.000 1.213 318 G CA -0.341 44.806 45.100 0.079 0.000 0.926 318 G HN 0.563 nan 8.290 nan 0.000 0.523 319 Q N -1.304 118.492 119.800 -0.006 0.000 2.309 319 Q HA 0.554 4.895 4.340 0.001 0.000 0.273 319 Q C -1.150 174.805 176.000 -0.076 0.000 1.040 319 Q CA -0.697 55.048 55.803 -0.097 0.000 0.834 319 Q CB 2.473 31.112 28.738 -0.164 0.000 1.345 319 Q HN 0.835 nan 8.270 nan 0.000 0.414 320 A N 1.762 124.527 122.820 -0.091 0.000 2.520 320 A HA 0.389 4.710 4.320 0.001 0.000 0.298 320 A C -0.239 177.297 177.584 -0.079 0.000 1.051 320 A CA -0.589 51.408 52.037 -0.065 0.000 0.690 320 A CB 1.504 20.482 19.000 -0.037 0.000 1.281 320 A HN 0.780 nan 8.150 nan 0.000 0.402 321 K N -0.101 120.259 120.400 -0.067 0.000 2.280 321 K HA -0.009 4.312 4.320 0.001 0.000 0.202 321 K C 0.733 177.299 176.600 -0.057 0.000 1.047 321 K CA 1.267 57.515 56.287 -0.066 0.000 0.942 321 K CB 0.067 32.536 32.500 -0.052 0.000 0.739 321 K HN 0.626 nan 8.250 nan 0.000 0.457 322 R N -1.519 118.951 120.500 -0.051 0.000 2.747 322 R HA 0.431 4.772 4.340 0.001 0.000 0.272 322 R C -2.034 174.238 176.300 -0.045 0.000 1.032 322 R CA -0.732 55.340 56.100 -0.045 0.000 0.896 322 R CB 2.540 32.816 30.300 -0.040 0.000 1.253 322 R HN -0.113 nan 8.270 nan 0.000 0.461 323 V N 1.511 121.399 119.914 -0.044 0.000 2.809 323 V HA 0.459 4.579 4.120 0.001 0.000 0.290 323 V C -1.756 174.310 176.094 -0.046 0.000 1.305 323 V CA -0.563 61.707 62.300 -0.051 0.000 0.939 323 V CB 1.798 33.595 31.823 -0.044 0.000 1.081 323 V HN 0.579 nan 8.190 nan 0.000 0.439 324 V N 5.756 125.635 119.914 -0.057 0.000 2.495 324 V HA 0.873 4.993 4.120 0.001 0.000 0.298 324 V C -0.685 175.385 176.094 -0.041 0.000 1.031 324 V CA -0.435 61.843 62.300 -0.037 0.000 0.871 324 V CB 1.633 33.438 31.823 -0.030 0.000 0.988 324 V HN 0.791 nan 8.190 nan 0.000 0.432 325 I N 6.179 126.758 120.570 0.015 0.000 2.569 325 I HA 0.593 4.764 4.170 0.001 0.000 0.296 325 I C 0.200 176.403 176.117 0.144 0.000 1.028 325 I CA -0.252 61.081 61.300 0.054 0.000 1.082 325 I CB 2.038 40.105 38.000 0.111 0.000 1.264 325 I HN 0.998 nan 8.210 nan 0.000 0.429 326 N N 4.143 122.895 118.700 0.087 0.000 3.283 326 N HA 0.320 5.061 4.740 0.001 0.000 0.338 326 N C 0.557 175.915 175.510 -0.253 0.000 1.517 326 N CA -0.795 52.322 53.050 0.112 0.000 0.733 326 N CB 1.087 39.607 38.487 0.054 0.000 1.797 326 N HN 0.428 nan 8.380 nan 0.000 0.637 327 K N -0.158 120.064 120.400 -0.297 0.000 2.117 327 K HA -0.255 4.066 4.320 0.001 0.000 0.215 327 K C -0.335 175.980 176.600 -0.474 0.000 1.053 327 K CA 3.032 58.992 56.287 -0.545 0.000 0.935 327 K CB -0.334 32.065 32.500 -0.168 0.000 0.719 327 K HN 0.788 nan 8.250 nan 0.000 0.460 328 D N -2.108 118.148 120.400 -0.239 0.000 2.740 328 D HA 0.104 4.745 4.640 0.001 0.000 0.305 328 D C -1.098 175.158 176.300 -0.074 0.000 1.583 328 D CA -0.458 53.460 54.000 -0.136 0.000 0.790 328 D CB 0.836 41.587 40.800 -0.081 0.000 1.187 328 D HN -0.095 nan 8.370 nan 0.000 0.447 329 T N -0.351 114.148 114.554 -0.092 0.000 2.971 329 T HA 0.599 4.950 4.350 0.001 0.000 0.304 329 T C -0.802 173.804 174.700 -0.157 0.000 1.038 329 T CA -0.564 61.477 62.100 -0.099 0.000 1.007 329 T CB 2.103 70.923 68.868 -0.080 0.000 1.055 329 T HN -0.114 nan 8.240 nan 0.000 0.451 330 T N 2.489 116.850 114.554 -0.321 0.000 2.792 330 T HA 0.691 5.042 4.350 0.001 0.000 0.280 330 T C -0.277 174.056 174.700 -0.613 0.000 0.990 330 T CA -0.584 61.232 62.100 -0.475 0.000 0.960 330 T CB 1.426 69.907 68.868 -0.645 0.000 0.939 330 T HN 0.741 nan 8.240 nan 0.000 0.439 331 T N 3.609 117.950 114.554 -0.355 0.000 2.881 331 T HA 0.630 4.981 4.350 0.001 0.000 0.291 331 T C -0.314 174.282 174.700 -0.175 0.000 0.990 331 T CA -0.974 60.965 62.100 -0.269 0.000 0.976 331 T CB 0.161 68.928 68.868 -0.167 0.000 0.970 331 T HN 0.619 nan 8.240 nan 0.000 0.438 332 I N 2.926 123.413 120.570 -0.138 0.000 2.392 332 I HA 0.680 4.851 4.170 0.001 0.000 0.295 332 I C -0.998 175.090 176.117 -0.047 0.000 0.985 332 I CA -1.252 60.007 61.300 -0.068 0.000 1.221 332 I CB 1.328 39.316 38.000 -0.019 0.000 1.366 332 I HN 0.572 nan 8.210 nan 0.000 0.467 333 I N 4.815 125.359 120.570 -0.043 0.000 2.406 333 I HA 0.308 4.479 4.170 0.001 0.000 0.290 333 I C -0.607 175.490 176.117 -0.033 0.000 0.999 333 I CA -0.383 60.895 61.300 -0.038 0.000 1.124 333 I CB 1.340 39.315 38.000 -0.041 0.000 1.289 333 I HN 0.699 nan 8.210 nan 0.000 0.441 334 D N 5.058 125.442 120.400 -0.027 0.000 4.044 334 D HA -0.119 4.522 4.640 0.001 0.000 0.242 334 D C -0.143 176.140 176.300 -0.027 0.000 1.076 334 D CA 0.783 54.768 54.000 -0.026 0.000 1.171 334 D CB -0.071 40.711 40.800 -0.030 0.000 0.866 334 D HN 0.824 nan 8.370 nan 0.000 0.413 335 G N 1.584 110.374 108.800 -0.018 0.000 2.338 335 G HA2 0.455 4.416 3.960 0.001 0.000 0.298 335 G HA3 0.455 4.416 3.960 0.001 0.000 0.298 335 G C 1.356 176.245 174.900 -0.018 0.000 1.140 335 G CA -0.393 44.698 45.100 -0.016 0.000 0.860 335 G HN 0.347 nan 8.290 nan 0.000 0.470 336 V N 2.583 122.483 119.914 -0.025 0.000 3.305 336 V HA 0.037 4.158 4.120 0.001 0.000 0.269 336 V C 2.024 178.111 176.094 -0.011 0.000 1.157 336 V CA 0.573 62.858 62.300 -0.024 0.000 1.157 336 V CB -1.184 30.618 31.823 -0.036 0.000 0.772 336 V HN 0.759 nan 8.190 nan 0.000 0.498 337 G N 1.179 109.975 108.800 -0.005 0.000 2.225 337 G HA2 0.070 4.031 3.960 0.001 0.000 0.245 337 G HA3 0.070 4.031 3.960 0.001 0.000 0.245 337 G C 0.108 175.007 174.900 -0.002 0.000 1.249 337 G CA -0.220 44.880 45.100 0.000 0.000 0.919 337 G HN 0.300 nan 8.290 nan 0.000 0.486 338 E N 1.827 122.027 120.200 -0.000 0.000 2.481 338 E HA -0.047 4.303 4.350 0.001 0.000 0.263 338 E C 1.263 177.862 176.600 -0.002 0.000 0.992 338 E CA -0.120 56.279 56.400 -0.001 0.000 0.938 338 E CB 0.758 30.458 29.700 0.000 0.000 0.933 338 E HN 0.543 nan 8.360 nan 0.000 0.453 339 E N 2.237 122.436 120.200 -0.003 0.000 2.085 339 E HA -0.196 4.155 4.350 0.001 0.000 0.194 339 E C 1.758 178.356 176.600 -0.002 0.000 0.994 339 E CA 1.480 57.878 56.400 -0.003 0.000 0.801 339 E CB -0.237 29.461 29.700 -0.004 0.000 0.743 339 E HN 0.596 nan 8.360 nan 0.000 0.453 340 A N 1.057 123.876 122.820 -0.002 0.000 2.024 340 A HA -0.112 4.208 4.320 0.001 0.000 0.220 340 A C 2.324 179.907 177.584 -0.001 0.000 1.164 340 A CA 2.068 54.104 52.037 -0.002 0.000 0.643 340 A CB -0.387 18.613 19.000 -0.001 0.000 0.806 340 A HN 0.270 nan 8.150 nan 0.000 0.451 341 A N -0.178 122.641 122.820 -0.001 0.000 1.861 341 A HA 0.107 4.428 4.320 0.001 0.000 0.212 341 A C 2.059 179.642 177.584 -0.001 0.000 1.199 341 A CA 1.181 53.218 52.037 -0.000 0.000 0.613 341 A CB -0.503 18.498 19.000 0.001 0.000 0.846 341 A HN 0.430 nan 8.150 nan 0.000 0.446 342 I N -0.291 120.279 120.570 -0.001 0.000 2.226 342 I HA -0.249 3.922 4.170 0.001 0.000 0.245 342 I C 2.500 178.616 176.117 -0.002 0.000 1.100 342 I CA 1.069 62.369 61.300 -0.001 0.000 1.374 342 I CB -0.257 37.743 38.000 0.000 0.000 1.057 342 I HN 0.236 nan 8.210 nan 0.000 0.413 343 Q N 0.666 120.465 119.800 -0.002 0.000 2.167 343 Q HA -0.056 4.285 4.340 0.001 0.000 0.202 343 Q C 2.321 178.319 176.000 -0.004 0.000 0.970 343 Q CA 1.508 57.309 55.803 -0.003 0.000 0.855 343 Q CB -0.881 27.855 28.738 -0.003 0.000 0.911 343 Q HN 0.574 nan 8.270 nan 0.000 0.438 344 G N 0.402 109.200 108.800 -0.003 0.000 2.404 344 G HA2 -0.292 3.669 3.960 0.001 0.000 0.215 344 G HA3 -0.292 3.669 3.960 0.001 0.000 0.215 344 G C 1.684 176.581 174.900 -0.005 0.000 1.174 344 G CA 0.790 45.888 45.100 -0.004 0.000 0.780 344 G HN 0.277 nan 8.290 nan 0.000 0.537 345 R N 0.030 120.527 120.500 -0.005 0.000 2.081 345 R HA -0.001 4.339 4.340 0.001 0.000 0.235 345 R C 2.656 178.951 176.300 -0.008 0.000 1.131 345 R CA 1.233 57.329 56.100 -0.006 0.000 0.960 345 R CB -0.737 29.559 30.300 -0.006 0.000 0.856 345 R HN 0.219 nan 8.270 nan 0.000 0.436 346 V N 0.669 120.579 119.914 -0.007 0.000 2.287 346 V HA -0.280 3.841 4.120 0.001 0.000 0.248 346 V C 2.337 178.426 176.094 -0.008 0.000 1.053 346 V CA 2.062 64.358 62.300 -0.008 0.000 1.027 346 V CB -0.985 30.835 31.823 -0.006 0.000 0.646 346 V HN 0.558 nan 8.190 nan 0.000 0.447 347 A N -0.988 121.828 122.820 -0.007 0.000 1.940 347 A HA -0.322 3.999 4.320 0.001 0.000 0.219 347 A C 2.174 179.754 177.584 -0.008 0.000 1.176 347 A CA 2.190 54.223 52.037 -0.007 0.000 0.631 347 A CB -0.502 18.495 19.000 -0.006 0.000 0.814 347 A HN 0.662 nan 8.150 nan 0.000 0.446 348 Q N -0.636 119.159 119.800 -0.008 0.000 2.020 348 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 348 Q C 2.081 178.073 176.000 -0.012 0.000 0.982 348 Q CA 1.729 57.526 55.803 -0.010 0.000 0.838 348 Q CB -0.334 28.398 28.738 -0.010 0.000 0.899 348 Q HN 0.774 nan 8.270 nan 0.000 0.423 349 I N 0.169 120.730 120.570 -0.014 0.000 2.252 349 I HA -0.249 3.922 4.170 0.001 0.000 0.245 349 I C 2.455 178.562 176.117 -0.017 0.000 1.102 349 I CA 0.823 62.112 61.300 -0.018 0.000 1.385 349 I CB -0.310 37.678 38.000 -0.020 0.000 1.064 349 I HN 0.108 nan 8.210 nan 0.000 0.414 350 R N 0.631 121.123 120.500 -0.014 0.000 2.096 350 R HA -0.247 4.093 4.340 0.001 0.000 0.240 350 R C 2.253 178.547 176.300 -0.011 0.000 1.139 350 R CA 1.716 57.808 56.100 -0.012 0.000 0.952 350 R CB -0.739 29.555 30.300 -0.010 0.000 0.854 350 R HN 0.539 nan 8.270 nan 0.000 0.436 351 Q N 0.942 120.736 119.800 -0.010 0.000 2.030 351 Q HA -0.224 4.117 4.340 0.001 0.000 0.204 351 Q C 2.015 178.010 176.000 -0.010 0.000 0.986 351 Q CA 1.704 57.502 55.803 -0.009 0.000 0.843 351 Q CB -0.018 28.716 28.738 -0.008 0.000 0.904 351 Q HN 0.429 nan 8.270 nan 0.000 0.420 352 Q N -0.056 119.736 119.800 -0.012 0.000 2.248 352 Q HA -0.174 4.167 4.340 0.001 0.000 0.208 352 Q C 1.966 177.957 176.000 -0.014 0.000 0.984 352 Q CA 1.302 57.097 55.803 -0.014 0.000 0.875 352 Q CB -0.165 28.562 28.738 -0.018 0.000 0.910 352 Q HN 0.510 nan 8.270 nan 0.000 0.433 353 I N 1.071 121.632 120.570 -0.015 0.000 2.614 353 I HA -0.239 3.932 4.170 0.001 0.000 0.258 353 I C 2.439 178.550 176.117 -0.010 0.000 1.189 353 I CA 0.917 62.208 61.300 -0.015 0.000 1.462 353 I CB -0.542 37.448 38.000 -0.017 0.000 1.092 353 I HN 0.318 nan 8.210 nan 0.000 0.442 354 E N 1.766 121.961 120.200 -0.008 0.000 2.209 354 E HA -0.297 4.053 4.350 0.001 0.000 0.196 354 E C 1.615 178.213 176.600 -0.003 0.000 0.993 354 E CA 1.455 57.852 56.400 -0.005 0.000 0.819 354 E CB -0.119 29.578 29.700 -0.004 0.000 0.745 354 E HN 0.484 nan 8.360 nan 0.000 0.477 355 E N 1.233 121.431 120.200 -0.004 0.000 2.033 355 E HA -0.124 4.227 4.350 0.001 0.000 0.199 355 E C 1.052 177.654 176.600 0.002 0.000 1.011 355 E CA 1.996 58.395 56.400 -0.001 0.000 0.815 355 E CB -0.445 29.254 29.700 -0.001 0.000 0.755 355 E HN 0.494 nan 8.360 nan 0.000 0.451 356 A N -0.488 122.334 122.820 0.003 0.000 2.640 356 A HA -0.271 4.050 4.320 0.001 0.000 0.300 356 A C 1.239 178.830 177.584 0.013 0.000 1.499 356 A CA 1.193 53.234 52.037 0.007 0.000 0.759 356 A CB -2.339 16.664 19.000 0.005 0.000 1.048 356 A HN 0.314 nan 8.150 nan 0.000 0.450 357 T N -1.235 113.329 114.554 0.016 0.000 3.043 357 T HA 0.345 4.696 4.350 0.001 0.000 0.263 357 T C 0.804 175.523 174.700 0.031 0.000 1.094 357 T CA 1.165 63.277 62.100 0.020 0.000 1.127 357 T CB 0.120 68.999 68.868 0.019 0.000 0.905 357 T HN 1.416 nan 8.240 nan 0.000 0.490 358 S N -0.140 115.585 115.700 0.043 0.000 2.537 358 S HA 0.301 4.772 4.470 0.001 0.000 0.270 358 S C -0.950 173.691 174.600 0.069 0.000 1.142 358 S CA -0.700 57.540 58.200 0.066 0.000 0.870 358 S CB 1.623 64.885 63.200 0.103 0.000 1.112 358 S HN 0.021 nan 8.310 nan 0.000 0.466 359 D N 1.365 121.810 120.400 0.075 0.000 2.371 359 D HA 0.056 4.697 4.640 0.001 0.000 0.221 359 D C 0.903 177.260 176.300 0.095 0.000 0.986 359 D CA 0.789 54.828 54.000 0.065 0.000 0.899 359 D CB 0.001 40.835 40.800 0.057 0.000 0.902 359 D HN 0.576 nan 8.370 nan 0.000 0.530 360 Y N 0.807 121.107 120.300 0.000 0.000 2.301 360 Y HA -0.011 4.540 4.550 0.001 0.000 0.295 360 Y C 1.246 177.141 175.900 -0.008 0.000 1.119 360 Y CA 1.120 59.220 58.100 -0.000 0.000 1.162 360 Y CB 0.198 38.659 38.460 0.002 0.000 1.046 360 Y HN -0.173 nan 8.280 nan 0.000 0.538 361 D N -0.486 119.952 120.400 0.063 0.000 2.149 361 D HA -0.079 4.562 4.640 0.001 0.000 0.201 361 D C 2.133 178.393 176.300 -0.066 0.000 0.972 361 D CA 0.971 54.959 54.000 -0.020 0.000 0.835 361 D CB -0.130 40.696 40.800 0.043 0.000 0.966 361 D HN 0.163 nan 8.370 nan 0.000 0.476 362 R N 0.557 121.036 120.500 -0.035 0.000 2.073 362 R HA -0.115 4.226 4.340 0.001 0.000 0.234 362 R C 2.082 178.344 176.300 -0.063 0.000 1.134 362 R CA 1.184 57.262 56.100 -0.037 0.000 0.952 362 R CB -0.040 30.252 30.300 -0.013 0.000 0.850 362 R HN 0.227 nan 8.270 nan 0.000 0.433 363 E N 0.330 120.480 120.200 -0.082 0.000 2.150 363 E HA -0.213 4.138 4.350 0.001 0.000 0.193 363 E C 1.653 178.161 176.600 -0.152 0.000 0.985 363 E CA 1.120 57.461 56.400 -0.098 0.000 0.814 363 E CB 0.209 29.858 29.700 -0.084 0.000 0.752 363 E HN 0.028 nan 8.360 nan 0.000 0.466 364 K N 0.229 120.484 120.400 -0.241 0.000 2.116 364 K HA 0.021 4.341 4.320 0.001 0.000 0.203 364 K C 2.072 178.578 176.600 -0.156 0.000 1.052 364 K CA 0.542 56.667 56.287 -0.270 0.000 0.952 364 K CB 0.037 32.274 32.500 -0.437 0.000 0.729 364 K HN 0.118 nan 8.250 nan 0.000 0.446 365 L N 0.171 121.323 121.223 -0.119 0.000 2.217 365 L HA -0.090 4.251 4.340 0.001 0.000 0.211 365 L C 2.356 179.190 176.870 -0.059 0.000 1.107 365 L CA 0.743 55.537 54.840 -0.077 0.000 0.783 365 L CB -0.227 41.798 42.059 -0.058 0.000 0.919 365 L HN 0.211 nan 8.230 nan 0.000 0.442 366 Q N 0.731 120.495 119.800 -0.061 0.000 2.079 366 Q HA -0.204 4.137 4.340 0.001 0.000 0.200 366 Q C 1.974 177.951 176.000 -0.039 0.000 0.974 366 Q CA 1.562 57.339 55.803 -0.043 0.000 0.840 366 Q CB 0.022 28.736 28.738 -0.039 0.000 0.898 366 Q HN 0.406 nan 8.270 nan 0.000 0.430 367 E N -0.551 119.619 120.200 -0.051 0.000 2.209 367 E HA -0.195 4.156 4.350 0.001 0.000 0.196 367 E C 2.057 178.641 176.600 -0.027 0.000 0.993 367 E CA 0.839 57.217 56.400 -0.038 0.000 0.819 367 E CB 0.008 29.678 29.700 -0.050 0.000 0.745 367 E HN 0.247 nan 8.360 nan 0.000 0.477 368 R N -0.043 120.435 120.500 -0.037 0.000 2.075 368 R HA -0.058 4.282 4.340 0.001 0.000 0.226 368 R C 2.388 178.678 176.300 -0.017 0.000 1.114 368 R CA 0.832 56.916 56.100 -0.027 0.000 0.972 368 R CB -0.051 30.225 30.300 -0.041 0.000 0.869 368 R HN 0.035 nan 8.270 nan 0.000 0.437 369 V N 1.165 121.067 119.914 -0.021 0.000 2.332 369 V HA -0.274 3.846 4.120 0.001 0.000 0.248 369 V C 2.433 178.522 176.094 -0.008 0.000 1.055 369 V CA 1.996 64.287 62.300 -0.014 0.000 1.038 369 V CB -0.836 30.977 31.823 -0.016 0.000 0.651 369 V HN 0.406 nan 8.190 nan 0.000 0.450 370 A N 0.182 122.997 122.820 -0.009 0.000 1.851 370 A HA -0.245 4.075 4.320 0.001 0.000 0.216 370 A C 2.314 179.900 177.584 0.003 0.000 1.195 370 A CA 2.077 54.111 52.037 -0.004 0.000 0.622 370 A CB -0.542 18.455 19.000 -0.005 0.000 0.831 370 A HN 0.461 nan 8.150 nan 0.000 0.444 371 K N -0.947 119.459 120.400 0.010 0.000 2.032 371 K HA -0.158 4.163 4.320 0.001 0.000 0.209 371 K C 1.949 178.561 176.600 0.020 0.000 1.048 371 K CA 1.363 57.664 56.287 0.023 0.000 0.927 371 K CB -0.718 31.808 32.500 0.043 0.000 0.712 371 K HN 0.394 nan 8.250 nan 0.000 0.441 372 L N 0.796 122.027 121.223 0.014 0.000 2.007 372 L HA -0.052 4.289 4.340 0.001 0.000 0.205 372 L C 2.216 179.089 176.870 0.006 0.000 1.073 372 L CA 2.011 56.858 54.840 0.011 0.000 0.744 372 L CB -0.889 41.173 42.059 0.005 0.000 0.898 372 L HN 0.149 nan 8.230 nan 0.000 0.435 373 A N -1.408 121.413 122.820 0.001 0.000 2.123 373 A HA 0.186 4.507 4.320 0.001 0.000 0.214 373 A C 2.180 179.764 177.584 -0.001 0.000 1.152 373 A CA 0.818 52.854 52.037 -0.001 0.000 0.728 373 A CB -1.033 17.965 19.000 -0.003 0.000 0.814 373 A HN 0.495 nan 8.150 nan 0.000 0.464 374 G N -0.323 108.476 108.800 -0.000 0.000 2.402 374 G HA2 0.354 4.315 3.960 0.001 0.000 0.216 374 G HA3 0.354 4.315 3.960 0.001 0.000 0.216 374 G C 1.117 176.015 174.900 -0.002 0.000 1.162 374 G CA 0.710 45.809 45.100 -0.001 0.000 0.777 374 G HN 1.691 nan 8.290 nan 0.000 0.539 375 G N -1.922 106.877 108.800 -0.001 0.000 2.796 375 G HA2 0.067 4.028 3.960 0.001 0.000 0.571 375 G HA3 0.067 4.028 3.960 0.001 0.000 0.571 375 G C -0.773 174.122 174.900 -0.008 0.000 1.370 375 G CA -0.386 44.712 45.100 -0.004 0.000 0.856 375 G HN 0.993 nan 8.290 nan 0.000 0.538 376 V N 0.484 120.391 119.914 -0.013 0.000 2.531 376 V HA 0.747 4.868 4.120 0.001 0.000 0.301 376 V C 0.752 176.833 176.094 -0.021 0.000 1.034 376 V CA -0.082 62.207 62.300 -0.020 0.000 0.865 376 V CB 1.432 33.239 31.823 -0.026 0.000 0.995 376 V HN 2.076 nan 8.190 nan 0.000 0.424 377 A N 4.617 127.424 122.820 -0.022 0.000 2.276 377 A HA 0.739 5.060 4.320 0.001 0.000 0.300 377 A C -0.192 177.377 177.584 -0.026 0.000 1.235 377 A CA -0.406 51.618 52.037 -0.022 0.000 0.867 377 A CB 0.928 19.916 19.000 -0.020 0.000 1.137 377 A HN 1.416 nan 8.150 nan 0.000 0.527 378 V N 1.999 121.898 119.914 -0.025 0.000 2.435 378 V HA 0.732 4.853 4.120 0.001 0.000 0.290 378 V C -0.354 175.725 176.094 -0.025 0.000 1.030 378 V CA -0.690 61.594 62.300 -0.027 0.000 0.881 378 V CB 1.023 32.830 31.823 -0.027 0.000 0.983 378 V HN 0.636 nan 8.190 nan 0.000 0.445 379 I N 5.038 125.592 120.570 -0.027 0.000 2.336 379 I HA 0.466 4.636 4.170 0.001 0.000 0.292 379 I C 0.218 176.322 176.117 -0.022 0.000 0.991 379 I CA -0.488 60.798 61.300 -0.023 0.000 1.227 379 I CB 1.553 39.538 38.000 -0.025 0.000 1.366 379 I HN 0.636 nan 8.210 nan 0.000 0.466 380 K N 5.989 126.378 120.400 -0.019 0.000 2.263 380 K HA 0.441 4.761 4.320 0.001 0.000 0.272 380 K C -0.922 175.669 176.600 -0.015 0.000 1.033 380 K CA -0.666 55.610 56.287 -0.018 0.000 0.884 380 K CB 2.117 34.608 32.500 -0.016 0.000 1.107 380 K HN 0.302 nan 8.250 nan 0.000 0.460 381 V N 2.963 122.868 119.914 -0.015 0.000 2.408 381 V HA 0.179 4.300 4.120 0.001 0.000 0.267 381 V C 0.789 176.876 176.094 -0.011 0.000 1.047 381 V CA -0.489 61.803 62.300 -0.013 0.000 0.937 381 V CB 0.951 32.766 31.823 -0.013 0.000 0.999 381 V HN 0.891 nan 8.190 nan 0.000 0.472 382 G N 3.517 112.311 108.800 -0.010 0.000 2.425 382 G HA2 0.762 4.723 3.960 0.001 0.000 0.302 382 G HA3 0.762 4.723 3.960 0.001 0.000 0.302 382 G C -0.386 174.510 174.900 -0.008 0.000 1.159 382 G CA 0.250 45.345 45.100 -0.009 0.000 0.865 382 G HN 1.205 nan 8.290 nan 0.000 0.515 383 A N -0.204 122.612 122.820 -0.007 0.000 2.586 383 A HA 0.790 5.110 4.320 0.001 0.000 0.290 383 A C 0.690 178.270 177.584 -0.006 0.000 1.086 383 A CA 0.368 52.402 52.037 -0.006 0.000 0.665 383 A CB 0.508 19.504 19.000 -0.006 0.000 1.279 383 A HN 1.737 nan 8.150 nan 0.000 0.423 384 A N -0.360 122.457 122.820 -0.005 0.000 1.855 384 A HA 0.434 4.755 4.320 0.001 0.000 0.213 384 A C 1.402 178.983 177.584 -0.005 0.000 1.195 384 A CA 2.282 54.316 52.037 -0.005 0.000 0.610 384 A CB -0.631 18.366 19.000 -0.005 0.000 0.837 384 A HN 1.856 nan 8.150 nan 0.000 0.444 385 T N -2.255 112.296 114.554 -0.005 0.000 2.940 385 T HA 0.357 4.708 4.350 0.001 0.000 0.288 385 T C 0.729 175.427 174.700 -0.005 0.000 1.033 385 T CA -0.011 62.086 62.100 -0.004 0.000 1.033 385 T CB 1.624 70.490 68.868 -0.004 0.000 1.079 385 T HN 0.379 nan 8.240 nan 0.000 0.496 386 E N 1.172 121.370 120.200 -0.005 0.000 2.153 386 E HA -0.101 4.249 4.350 0.001 0.000 0.194 386 E C 1.895 178.492 176.600 -0.005 0.000 0.988 386 E CA 1.272 57.669 56.400 -0.005 0.000 0.811 386 E CB -0.037 29.660 29.700 -0.005 0.000 0.746 386 E HN 0.575 nan 8.360 nan 0.000 0.466 387 V N 0.908 120.819 119.914 -0.004 0.000 2.270 387 V HA -0.241 3.880 4.120 0.001 0.000 0.245 387 V C 2.337 178.428 176.094 -0.004 0.000 1.043 387 V CA 2.101 64.399 62.300 -0.004 0.000 1.014 387 V CB -0.634 31.187 31.823 -0.003 0.000 0.645 387 V HN 0.309 nan 8.190 nan 0.000 0.447 388 E N -0.461 119.737 120.200 -0.004 0.000 2.070 388 E HA -0.275 4.075 4.350 0.001 0.000 0.197 388 E C 2.272 178.869 176.600 -0.005 0.000 1.004 388 E CA 1.765 58.162 56.400 -0.004 0.000 0.805 388 E CB -0.138 29.559 29.700 -0.005 0.000 0.744 388 E HN 0.435 nan 8.360 nan 0.000 0.451 389 M N 0.657 120.254 119.600 -0.005 0.000 2.126 389 M HA -0.218 4.263 4.480 0.001 0.000 0.259 389 M C 1.938 178.234 176.300 -0.006 0.000 1.073 389 M CA 1.791 57.088 55.300 -0.006 0.000 1.103 389 M CB -0.338 32.258 32.600 -0.007 0.000 1.284 389 M HN -0.064 nan 8.290 nan 0.000 0.420 390 K N -0.440 119.957 120.400 -0.006 0.000 2.515 390 K HA -0.127 4.193 4.320 0.001 0.000 0.196 390 K C 1.808 178.406 176.600 -0.004 0.000 1.038 390 K CA 0.443 56.727 56.287 -0.005 0.000 0.967 390 K CB 0.038 32.536 32.500 -0.005 0.000 0.780 390 K HN 0.339 nan 8.250 nan 0.000 0.483 391 E N 1.508 121.706 120.200 -0.003 0.000 2.057 391 E HA -0.107 4.244 4.350 0.001 0.000 0.190 391 E C 1.764 178.362 176.600 -0.003 0.000 0.969 391 E CA 0.994 57.392 56.400 -0.002 0.000 0.812 391 E CB 0.213 29.911 29.700 -0.003 0.000 0.777 391 E HN 0.093 nan 8.360 nan 0.000 0.455 392 K N 1.096 121.493 120.400 -0.004 0.000 2.032 392 K HA -0.179 4.142 4.320 0.001 0.000 0.209 392 K C 2.295 178.891 176.600 -0.006 0.000 1.048 392 K CA 1.472 57.756 56.287 -0.005 0.000 0.927 392 K CB -0.109 32.387 32.500 -0.006 0.000 0.712 392 K HN -0.084 nan 8.250 nan 0.000 0.441 393 K N 0.107 120.503 120.400 -0.007 0.000 2.127 393 K HA -0.207 4.113 4.320 0.001 0.000 0.208 393 K C 1.877 178.473 176.600 -0.008 0.000 1.047 393 K CA 1.536 57.818 56.287 -0.010 0.000 0.927 393 K CB -0.159 32.334 32.500 -0.010 0.000 0.716 393 K HN 0.253 nan 8.250 nan 0.000 0.450 394 A N 0.947 123.765 122.820 -0.003 0.000 1.897 394 A HA -0.110 4.211 4.320 0.001 0.000 0.215 394 A C 2.078 179.667 177.584 0.008 0.000 1.181 394 A CA 1.179 53.218 52.037 0.004 0.000 0.620 394 A CB -0.316 18.688 19.000 0.006 0.000 0.821 394 A HN 0.303 nan 8.150 nan 0.000 0.443 395 R N -0.728 119.774 120.500 0.005 0.000 2.115 395 R HA -0.021 4.320 4.340 0.001 0.000 0.226 395 R C 1.962 178.265 176.300 0.005 0.000 1.100 395 R CA 1.145 57.249 56.100 0.007 0.000 0.980 395 R CB -0.337 29.965 30.300 0.003 0.000 0.875 395 R HN 0.383 nan 8.270 nan 0.000 0.445 396 V N 1.023 120.935 119.914 -0.003 0.000 2.295 396 V HA -0.251 3.870 4.120 0.001 0.000 0.246 396 V C 1.886 177.969 176.094 -0.019 0.000 1.049 396 V CA 1.880 64.174 62.300 -0.011 0.000 1.024 396 V CB -0.371 31.442 31.823 -0.016 0.000 0.648 396 V HN 0.338 nan 8.190 nan 0.000 0.447 397 E N -0.302 119.885 120.200 -0.022 0.000 2.110 397 E HA -0.223 4.128 4.350 0.001 0.000 0.193 397 E C 2.023 178.621 176.600 -0.003 0.000 0.988 397 E CA 1.328 57.700 56.400 -0.046 0.000 0.804 397 E CB -0.146 29.531 29.700 -0.038 0.000 0.745 397 E HN 0.582 nan 8.360 nan 0.000 0.458 398 D N 0.136 120.564 120.400 0.046 0.000 2.097 398 D HA -0.152 4.489 4.640 0.001 0.000 0.195 398 D C 1.902 178.254 176.300 0.087 0.000 0.989 398 D CA 1.381 55.436 54.000 0.091 0.000 0.827 398 D CB -0.177 40.655 40.800 0.053 0.000 0.966 398 D HN 0.169 nan 8.370 nan 0.000 0.456 399 A N 0.876 123.720 122.820 0.041 0.000 1.873 399 A HA -0.131 4.190 4.320 0.001 0.000 0.215 399 A C 2.336 179.939 177.584 0.033 0.000 1.186 399 A CA 0.980 53.036 52.037 0.032 0.000 0.616 399 A CB -0.958 18.049 19.000 0.013 0.000 0.823 399 A HN 0.245 nan 8.150 nan 0.000 0.442 400 L N -1.081 120.143 121.223 0.003 0.000 2.021 400 L HA -0.290 4.051 4.340 0.001 0.000 0.215 400 L C 2.609 179.484 176.870 0.008 0.000 1.074 400 L CA 2.233 57.058 54.840 -0.024 0.000 0.760 400 L CB -0.448 41.562 42.059 -0.082 0.000 0.889 400 L HN 0.513 nan 8.230 nan 0.000 0.433 401 H N -0.505 118.563 119.070 -0.004 0.000 2.265 401 H HA -0.154 4.402 4.556 0.001 0.000 0.295 401 H C 2.159 177.487 175.328 0.000 0.000 1.084 401 H CA 1.695 57.741 56.048 -0.002 0.000 1.261 401 H CB -0.504 29.256 29.762 -0.003 0.000 1.360 401 H HN 0.525 nan 8.280 nan 0.000 0.487 402 A N -0.146 122.760 122.820 0.144 0.000 2.019 402 A HA -0.137 4.183 4.320 0.001 0.000 0.219 402 A C 2.573 180.189 177.584 0.053 0.000 1.164 402 A CA 2.005 54.084 52.037 0.071 0.000 0.644 402 A CB -0.637 18.390 19.000 0.046 0.000 0.805 402 A HN 0.497 nan 8.150 nan 0.000 0.449 403 T N -0.714 113.869 114.554 0.049 0.000 2.851 403 T HA -0.061 4.290 4.350 0.001 0.000 0.262 403 T C 2.045 176.765 174.700 0.032 0.000 1.043 403 T CA 1.125 63.244 62.100 0.031 0.000 1.140 403 T CB -0.182 68.697 68.868 0.019 0.000 0.872 403 T HN 0.477 nan 8.240 nan 0.000 0.446 404 R N 0.965 121.490 120.500 0.041 0.000 2.096 404 R HA 0.014 4.354 4.340 0.001 0.000 0.235 404 R C 2.758 179.085 176.300 0.045 0.000 1.127 404 R CA 1.331 57.455 56.100 0.040 0.000 0.968 404 R CB -0.411 29.919 30.300 0.050 0.000 0.861 404 R HN 0.384 nan 8.270 nan 0.000 0.440 405 A N 0.780 123.633 122.820 0.055 0.000 1.929 405 A HA -0.021 4.300 4.320 0.001 0.000 0.216 405 A C 2.292 179.895 177.584 0.031 0.000 1.176 405 A CA 1.403 53.466 52.037 0.043 0.000 0.628 405 A CB -0.421 18.604 19.000 0.041 0.000 0.816 405 A HN 0.385 nan 8.150 nan 0.000 0.444 406 A N -0.397 122.441 122.820 0.029 0.000 1.930 406 A HA 0.035 4.356 4.320 0.001 0.000 0.217 406 A C 2.202 179.798 177.584 0.020 0.000 1.175 406 A CA 1.678 53.729 52.037 0.022 0.000 0.627 406 A CB -0.870 18.142 19.000 0.020 0.000 0.815 406 A HN 0.351 nan 8.150 nan 0.000 0.443 407 V N 0.176 120.102 119.914 0.020 0.000 2.255 407 V HA -0.303 3.817 4.120 0.001 0.000 0.247 407 V C 2.423 178.528 176.094 0.018 0.000 1.051 407 V CA 2.382 64.693 62.300 0.017 0.000 1.018 407 V CB -0.960 30.873 31.823 0.016 0.000 0.641 407 V HN 0.638 nan 8.190 nan 0.000 0.445 408 E N -0.122 120.091 120.200 0.021 0.000 2.058 408 E HA -0.213 4.138 4.350 0.001 0.000 0.194 408 E C 1.686 178.297 176.600 0.019 0.000 0.997 408 E CA 1.665 58.078 56.400 0.021 0.000 0.801 408 E CB -0.040 29.675 29.700 0.025 0.000 0.746 408 E HN 0.701 nan 8.360 nan 0.000 0.450 409 E N -0.933 119.279 120.200 0.019 0.000 2.715 409 E HA 0.235 4.585 4.350 0.001 0.000 0.224 409 E C 0.304 176.914 176.600 0.017 0.000 0.962 409 E CA 0.150 56.560 56.400 0.018 0.000 1.145 409 E CB 1.630 31.341 29.700 0.019 0.000 1.083 409 E HN 0.226 nan 8.360 nan 0.000 0.506 410 G N 1.592 110.402 108.800 0.017 0.000 2.741 410 G HA2 -0.226 3.735 3.960 0.001 0.000 0.222 410 G HA3 -0.226 3.735 3.960 0.001 0.000 0.222 410 G C -0.159 174.751 174.900 0.017 0.000 1.364 410 G CA -0.381 44.729 45.100 0.016 0.000 0.866 410 G HN 0.481 nan 8.290 nan 0.000 0.555 411 V N -2.375 117.549 119.914 0.016 0.000 3.046 411 V HA 1.002 5.122 4.120 0.001 0.000 0.316 411 V C 0.689 176.794 176.094 0.018 0.000 1.104 411 V CA 0.313 62.623 62.300 0.016 0.000 1.006 411 V CB 1.347 33.178 31.823 0.015 0.000 1.058 411 V HN 2.547 nan 8.190 nan 0.000 0.440 412 V N -1.211 118.714 119.914 0.018 0.000 3.181 412 V HA 0.989 5.110 4.120 0.001 0.000 0.307 412 V C 0.326 176.432 176.094 0.020 0.000 1.310 412 V CA -0.798 61.515 62.300 0.021 0.000 1.067 412 V CB 1.070 32.907 31.823 0.022 0.000 1.081 412 V HN 2.204 nan 8.190 nan 0.000 0.453 413 A N 0.245 123.080 122.820 0.025 0.000 2.548 413 A HA 0.526 4.847 4.320 0.001 0.000 0.247 413 A C 1.294 178.888 177.584 0.016 0.000 1.067 413 A CA 0.559 52.610 52.037 0.022 0.000 0.757 413 A CB -0.122 18.898 19.000 0.034 0.000 0.996 413 A HN 2.124 nan 8.150 nan 0.000 0.504 414 G N 1.640 110.444 108.800 0.006 0.000 3.042 414 G HA2 0.291 4.252 3.960 0.001 0.000 0.212 414 G HA3 0.291 4.252 3.960 0.001 0.000 0.212 414 G C 0.850 175.752 174.900 0.002 0.000 1.166 414 G CA 0.716 45.817 45.100 0.003 0.000 0.767 414 G HN 1.131 nan 8.290 nan 0.000 0.546 415 G N -0.505 108.298 108.800 0.006 0.000 3.383 415 G HA2 0.410 4.371 3.960 0.001 0.000 0.251 415 G HA3 0.410 4.371 3.960 0.001 0.000 0.251 415 G C 1.219 176.136 174.900 0.029 0.000 1.203 415 G CA 0.295 45.401 45.100 0.010 0.000 0.852 415 G HN 1.111 nan 8.290 nan 0.000 0.531 416 G N -0.682 108.134 108.800 0.026 0.000 2.336 416 G HA2 -0.394 3.566 3.960 0.001 0.000 0.233 416 G HA3 -0.394 3.566 3.960 0.001 0.000 0.233 416 G C 1.490 176.413 174.900 0.038 0.000 1.053 416 G CA 0.586 45.706 45.100 0.033 0.000 0.625 416 G HN 0.637 nan 8.290 nan 0.000 0.511 417 V N 1.668 121.608 119.914 0.043 0.000 2.236 417 V HA -0.207 3.914 4.120 0.001 0.000 0.255 417 V C 3.395 179.517 176.094 0.047 0.000 1.068 417 V CA 3.734 66.064 62.300 0.050 0.000 1.044 417 V CB -1.604 30.247 31.823 0.045 0.000 0.653 417 V HN 1.429 nan 8.190 nan 0.000 0.448 418 A N -0.339 122.504 122.820 0.038 0.000 1.892 418 A HA -0.200 4.121 4.320 0.001 0.000 0.218 418 A C 2.224 179.828 177.584 0.034 0.000 1.188 418 A CA 2.208 54.267 52.037 0.036 0.000 0.631 418 A CB -0.574 18.443 19.000 0.029 0.000 0.822 418 A HN 0.424 nan 8.150 nan 0.000 0.447 419 L N -0.482 120.760 121.223 0.031 0.000 2.027 419 L HA -0.131 4.210 4.340 0.001 0.000 0.206 419 L C 2.575 179.463 176.870 0.030 0.000 1.074 419 L CA 1.421 56.278 54.840 0.028 0.000 0.745 419 L CB -1.140 40.934 42.059 0.026 0.000 0.898 419 L HN 0.340 nan 8.230 nan 0.000 0.433 420 I N -0.046 120.546 120.570 0.036 0.000 2.185 420 I HA -0.355 3.816 4.170 0.001 0.000 0.246 420 I C 2.763 178.904 176.117 0.040 0.000 1.088 420 I CA 1.375 62.697 61.300 0.038 0.000 1.347 420 I CB -0.543 37.485 38.000 0.048 0.000 1.041 420 I HN 0.331 nan 8.210 nan 0.000 0.415 421 R N 1.089 121.616 120.500 0.045 0.000 2.061 421 R HA -0.148 4.193 4.340 0.001 0.000 0.230 421 R C 2.357 178.677 176.300 0.034 0.000 1.140 421 R CA 2.432 58.560 56.100 0.047 0.000 0.940 421 R CB -0.761 29.571 30.300 0.053 0.000 0.839 421 R HN 0.301 nan 8.270 nan 0.000 0.429 422 V N -0.894 119.038 119.914 0.030 0.000 2.392 422 V HA -0.122 3.998 4.120 0.001 0.000 0.249 422 V C 2.175 178.280 176.094 0.019 0.000 1.059 422 V CA 1.882 64.195 62.300 0.023 0.000 1.051 422 V CB -1.304 30.531 31.823 0.020 0.000 0.658 422 V HN 0.420 nan 8.190 nan 0.000 0.455 423 A N 1.545 124.377 122.820 0.020 0.000 1.877 423 A HA -0.158 4.163 4.320 0.001 0.000 0.216 423 A C 2.617 180.210 177.584 0.016 0.000 1.186 423 A CA 2.561 54.609 52.037 0.017 0.000 0.620 423 A CB -1.124 17.887 19.000 0.018 0.000 0.822 423 A HN 1.036 nan 8.150 nan 0.000 0.443 424 S N -0.501 115.211 115.700 0.019 0.000 2.474 424 S HA -0.093 4.378 4.470 0.001 0.000 0.235 424 S C 1.771 176.379 174.600 0.014 0.000 0.997 424 S CA 1.222 59.432 58.200 0.017 0.000 0.949 424 S CB -0.245 62.968 63.200 0.021 0.000 0.766 424 S HN 0.553 nan 8.310 nan 0.000 0.517 425 K N 1.182 121.591 120.400 0.015 0.000 1.991 425 K HA 0.070 4.391 4.320 0.001 0.000 0.207 425 K C 0.977 177.582 176.600 0.009 0.000 1.045 425 K CA 1.183 57.477 56.287 0.012 0.000 0.937 425 K CB -0.539 31.970 32.500 0.014 0.000 0.720 425 K HN 0.517 nan 8.250 nan 0.000 0.438 426 L N -0.067 121.161 121.223 0.009 0.000 2.873 426 L HA 0.306 4.646 4.340 0.001 0.000 0.236 426 L C 0.830 177.704 176.870 0.006 0.000 1.375 426 L CA -0.173 54.671 54.840 0.007 0.000 1.239 426 L CB 0.216 42.279 42.059 0.006 0.000 1.603 426 L HN -0.096 nan 8.230 nan 0.000 0.430 427 A N -1.278 121.546 122.820 0.006 0.000 2.415 427 A HA 0.196 4.517 4.320 0.001 0.000 0.248 427 A C 1.132 178.718 177.584 0.003 0.000 1.299 427 A CA -0.038 52.002 52.037 0.005 0.000 0.899 427 A CB -0.124 18.879 19.000 0.005 0.000 0.997 427 A HN 0.426 nan 8.150 nan 0.000 0.506 428 D N -0.942 119.460 120.400 0.003 0.000 2.423 428 D HA 0.103 4.744 4.640 0.001 0.000 0.208 428 D C 0.416 176.717 176.300 0.002 0.000 1.068 428 D CA -0.160 53.841 54.000 0.002 0.000 0.860 428 D CB 0.022 40.823 40.800 0.001 0.000 0.992 428 D HN 0.303 nan 8.370 nan 0.000 0.504 429 L N 2.295 123.519 121.223 0.002 0.000 2.693 429 L HA -0.104 4.236 4.340 0.001 0.000 0.292 429 L C 0.430 177.301 176.870 0.002 0.000 1.243 429 L CA 0.924 55.766 54.840 0.002 0.000 0.903 429 L CB 0.045 42.106 42.059 0.003 0.000 1.160 429 L HN -0.114 nan 8.230 nan 0.000 0.496 430 R N 3.097 123.598 120.500 0.001 0.000 2.912 430 R HA 0.763 5.103 4.340 0.001 0.000 0.262 430 R C -0.048 176.253 176.300 0.001 0.000 1.057 430 R CA -0.304 55.797 56.100 0.001 0.000 0.981 430 R CB 1.432 31.733 30.300 0.001 0.000 1.201 430 R HN 0.773 nan 8.270 nan 0.000 0.484 431 G N -0.086 108.715 108.800 0.001 0.000 3.212 431 G HA2 0.313 4.274 3.960 0.001 0.000 0.188 431 G HA3 0.313 4.274 3.960 0.001 0.000 0.188 431 G C -0.226 174.675 174.900 0.001 0.000 1.254 431 G CA -0.119 44.981 45.100 0.001 0.000 0.957 431 G HN 0.353 nan 8.290 nan 0.000 0.596 432 Q N -0.567 119.234 119.800 0.001 0.000 2.499 432 Q HA 0.170 4.511 4.340 0.001 0.000 0.213 432 Q C 1.082 177.083 176.000 0.001 0.000 0.929 432 Q CA 0.007 55.810 55.803 0.001 0.000 0.904 432 Q CB -0.097 28.642 28.738 0.001 0.000 1.052 432 Q HN 0.524 nan 8.270 nan 0.000 0.589 433 N N 1.569 120.270 118.700 0.001 0.000 2.483 433 N HA -0.081 4.660 4.740 0.001 0.000 0.264 433 N C 0.656 176.166 175.510 0.001 0.000 1.197 433 N CA -0.064 52.987 53.050 0.001 0.000 0.927 433 N CB 0.598 39.086 38.487 0.002 0.000 1.065 433 N HN 0.265 nan 8.380 nan 0.000 0.461 434 E N 2.587 122.788 120.200 0.001 0.000 2.208 434 E HA -0.303 4.048 4.350 0.001 0.000 0.202 434 E C 0.453 177.053 176.600 0.002 0.000 1.014 434 E CA 1.745 58.145 56.400 0.001 0.000 0.819 434 E CB 0.161 29.861 29.700 0.001 0.000 0.735 434 E HN 0.600 nan 8.360 nan 0.000 0.469 435 D N -0.077 120.324 120.400 0.002 0.000 2.178 435 D HA -0.124 4.517 4.640 0.001 0.000 0.202 435 D C 1.805 178.106 176.300 0.003 0.000 0.974 435 D CA 0.868 54.869 54.000 0.002 0.000 0.841 435 D CB -0.085 40.717 40.800 0.003 0.000 0.953 435 D HN 0.417 nan 8.370 nan 0.000 0.478 436 Q N 0.039 119.840 119.800 0.002 0.000 2.187 436 Q HA -0.064 4.277 4.340 0.001 0.000 0.199 436 Q C 1.766 177.767 176.000 0.002 0.000 0.957 436 Q CA 0.454 56.258 55.803 0.002 0.000 0.857 436 Q CB 0.129 28.868 28.738 0.002 0.000 0.929 436 Q HN 0.184 nan 8.270 nan 0.000 0.453 437 N N 0.387 119.088 118.700 0.002 0.000 2.007 437 N HA -0.179 4.562 4.740 0.001 0.000 0.197 437 N C 1.912 177.423 175.510 0.003 0.000 1.050 437 N CA 1.544 54.595 53.050 0.002 0.000 0.856 437 N CB -0.806 37.682 38.487 0.002 0.000 1.050 437 N HN 0.032 nan 8.380 nan 0.000 0.423 438 V N 1.038 120.953 119.914 0.003 0.000 2.313 438 V HA -0.274 3.847 4.120 0.001 0.000 0.253 438 V C 2.439 178.535 176.094 0.004 0.000 1.070 438 V CA 2.187 64.489 62.300 0.003 0.000 1.057 438 V CB -1.515 30.310 31.823 0.003 0.000 0.653 438 V HN 0.446 nan 8.190 nan 0.000 0.450 439 G N 0.116 108.918 108.800 0.004 0.000 2.514 439 G HA2 -0.268 3.692 3.960 0.001 0.000 0.217 439 G HA3 -0.268 3.692 3.960 0.001 0.000 0.217 439 G C 1.523 176.425 174.900 0.004 0.000 1.198 439 G CA 1.409 46.511 45.100 0.004 0.000 0.780 439 G HN 0.525 nan 8.290 nan 0.000 0.565 440 I N 0.535 121.107 120.570 0.003 0.000 2.163 440 I HA -0.184 3.987 4.170 0.001 0.000 0.243 440 I C 2.826 178.946 176.117 0.004 0.000 1.085 440 I CA 1.483 62.785 61.300 0.003 0.000 1.347 440 I CB -0.248 37.754 38.000 0.003 0.000 1.044 440 I HN 0.093 nan 8.210 nan 0.000 0.408 441 K N 0.550 120.952 120.400 0.004 0.000 1.991 441 K HA -0.176 4.145 4.320 0.001 0.000 0.212 441 K C 2.174 178.778 176.600 0.006 0.000 1.049 441 K CA 1.678 57.968 56.287 0.005 0.000 0.932 441 K CB -0.543 31.960 32.500 0.004 0.000 0.717 441 K HN 0.107 nan 8.250 nan 0.000 0.441 442 V N 1.509 121.426 119.914 0.006 0.000 2.250 442 V HA -0.366 3.755 4.120 0.001 0.000 0.253 442 V C 2.404 178.503 176.094 0.008 0.000 1.065 442 V CA 2.325 64.629 62.300 0.007 0.000 1.039 442 V CB -0.763 31.064 31.823 0.007 0.000 0.647 442 V HN 0.479 nan 8.190 nan 0.000 0.446 443 A N -1.147 121.678 122.820 0.007 0.000 1.898 443 A HA -0.127 4.194 4.320 0.001 0.000 0.216 443 A C 2.213 179.803 177.584 0.009 0.000 1.181 443 A CA 1.780 53.822 52.037 0.008 0.000 0.620 443 A CB -0.465 18.538 19.000 0.006 0.000 0.819 443 A HN 0.503 nan 8.150 nan 0.000 0.442 444 L N -1.064 120.164 121.223 0.008 0.000 2.017 444 L HA -0.164 4.177 4.340 0.001 0.000 0.208 444 L C 2.855 179.732 176.870 0.011 0.000 1.073 444 L CA 1.838 56.684 54.840 0.009 0.000 0.745 444 L CB -0.415 41.649 42.059 0.008 0.000 0.894 444 L HN 0.489 nan 8.230 nan 0.000 0.432 445 R N 0.230 120.735 120.500 0.010 0.000 2.148 445 R HA -0.112 4.228 4.340 0.001 0.000 0.223 445 R C 2.180 178.486 176.300 0.011 0.000 1.088 445 R CA 1.053 57.158 56.100 0.010 0.000 0.985 445 R CB -0.096 30.208 30.300 0.008 0.000 0.880 445 R HN 0.321 nan 8.270 nan 0.000 0.451 446 A N 1.053 123.879 122.820 0.012 0.000 1.972 446 A HA -0.135 4.185 4.320 0.001 0.000 0.219 446 A C 2.054 179.647 177.584 0.015 0.000 1.169 446 A CA 1.341 53.386 52.037 0.013 0.000 0.635 446 A CB -0.358 18.650 19.000 0.014 0.000 0.810 446 A HN 0.367 nan 8.150 nan 0.000 0.446 447 M N -0.451 119.159 119.600 0.016 0.000 2.557 447 M HA -0.069 4.412 4.480 0.001 0.000 0.259 447 M C 1.147 177.459 176.300 0.020 0.000 1.086 447 M CA 0.860 56.171 55.300 0.018 0.000 1.096 447 M CB -0.284 32.327 32.600 0.018 0.000 1.424 447 M HN 0.465 nan 8.290 nan 0.000 0.488 448 E N 0.585 120.796 120.200 0.019 0.000 2.478 448 E HA 0.055 4.405 4.350 0.001 0.000 0.194 448 E C 2.024 178.636 176.600 0.019 0.000 1.045 448 E CA 0.377 56.789 56.400 0.020 0.000 0.868 448 E CB 0.076 29.785 29.700 0.016 0.000 0.885 448 E HN 0.479 nan 8.360 nan 0.000 0.505 449 A N 2.643 125.473 122.820 0.018 0.000 1.858 449 A HA -0.116 4.205 4.320 0.001 0.000 0.216 449 A C -0.242 177.353 177.584 0.018 0.000 1.190 449 A CA 1.205 53.252 52.037 0.016 0.000 0.617 449 A CB -1.423 17.586 19.000 0.015 0.000 0.827 449 A HN 0.120 nan 8.150 nan 0.000 0.443 450 P HA -0.161 nan 4.420 nan 0.000 0.214 450 P C 1.765 179.081 177.300 0.027 0.000 1.163 450 P CA 1.087 64.200 63.100 0.022 0.000 0.883 450 P CB -0.107 31.606 31.700 0.022 0.000 0.788 451 L N -0.465 120.778 121.223 0.033 0.000 1.970 451 L HA -0.180 4.161 4.340 0.001 0.000 0.212 451 L C 2.460 179.352 176.870 0.037 0.000 1.071 451 L CA 1.977 56.844 54.840 0.045 0.000 0.751 451 L CB -0.814 41.276 42.059 0.051 0.000 0.889 451 L HN -0.273 nan 8.230 nan 0.000 0.432 452 R N -1.054 119.460 120.500 0.024 0.000 2.103 452 R HA -0.257 4.084 4.340 0.001 0.000 0.242 452 R C 2.373 178.682 176.300 0.016 0.000 1.142 452 R CA 1.925 58.033 56.100 0.013 0.000 0.960 452 R CB -0.365 29.941 30.300 0.009 0.000 0.858 452 R HN 0.477 nan 8.270 nan 0.000 0.439 453 Q N 0.415 120.227 119.800 0.019 0.000 2.046 453 Q HA -0.069 4.271 4.340 0.001 0.000 0.200 453 Q C 1.845 177.860 176.000 0.024 0.000 0.975 453 Q CA 1.480 57.293 55.803 0.018 0.000 0.836 453 Q CB -0.043 28.704 28.738 0.015 0.000 0.896 453 Q HN 0.267 nan 8.270 nan 0.000 0.428 454 I N -0.156 120.433 120.570 0.032 0.000 2.118 454 I HA -0.300 3.871 4.170 0.001 0.000 0.241 454 I C 2.162 178.312 176.117 0.057 0.000 1.070 454 I CA 1.287 62.611 61.300 0.041 0.000 1.327 454 I CB -1.108 36.923 38.000 0.051 0.000 1.034 454 I HN 0.120 nan 8.210 nan 0.000 0.405 455 V N 0.859 120.815 119.914 0.070 0.000 2.332 455 V HA -0.282 3.839 4.120 0.001 0.000 0.248 455 V C 2.548 178.664 176.094 0.038 0.000 1.055 455 V CA 1.765 64.107 62.300 0.070 0.000 1.038 455 V CB -0.628 31.198 31.823 0.005 0.000 0.651 455 V HN 0.322 nan 8.190 nan 0.000 0.450 456 L N 0.634 121.870 121.223 0.022 0.000 2.017 456 L HA -0.153 4.188 4.340 0.001 0.000 0.208 456 L C 2.245 179.124 176.870 0.017 0.000 1.073 456 L CA 1.982 56.830 54.840 0.014 0.000 0.745 456 L CB -0.880 41.184 42.059 0.010 0.000 0.894 456 L HN 0.312 nan 8.230 nan 0.000 0.432 457 N N -0.820 117.891 118.700 0.018 0.000 2.137 457 N HA -0.222 4.519 4.740 0.001 0.000 0.190 457 N C 1.782 177.302 175.510 0.017 0.000 1.017 457 N CA 1.827 54.886 53.050 0.016 0.000 0.859 457 N CB -0.954 37.542 38.487 0.014 0.000 1.002 457 N HN 0.443 nan 8.380 nan 0.000 0.428 458 C N -0.915 118.402 119.300 0.028 0.000 2.472 458 C HA 0.226 4.687 4.460 0.001 0.000 0.278 458 C C 1.776 176.783 174.990 0.028 0.000 1.447 458 C CA 0.484 59.522 59.018 0.032 0.000 1.773 458 C CB -1.216 26.561 27.740 0.062 0.000 1.793 458 C HN 0.667 nan 8.230 nan 0.000 0.544 459 G N 0.692 109.506 108.800 0.023 0.000 2.157 459 G HA2 -0.168 3.792 3.960 0.001 0.000 0.248 459 G HA3 -0.168 3.792 3.960 0.001 0.000 0.248 459 G C -0.177 174.733 174.900 0.017 0.000 0.979 459 G CA 0.214 45.324 45.100 0.017 0.000 0.650 459 G HN 0.588 nan 8.290 nan 0.000 0.529 460 E N 0.641 120.854 120.200 0.022 0.000 2.280 460 E HA 0.403 4.754 4.350 0.001 0.000 0.261 460 E C -0.015 176.576 176.600 -0.015 0.000 1.088 460 E CA -0.812 55.591 56.400 0.006 0.000 0.915 460 E CB 0.952 30.657 29.700 0.008 0.000 1.141 460 E HN 0.380 nan 8.360 nan 0.000 0.433 461 E N 1.719 121.901 120.200 -0.030 0.000 2.366 461 E HA 0.027 4.378 4.350 0.001 0.000 0.266 461 E C -1.727 174.840 176.600 -0.054 0.000 1.015 461 E CA -1.240 55.140 56.400 -0.034 0.000 0.906 461 E CB 0.693 30.375 29.700 -0.030 0.000 0.979 461 E HN 0.251 nan 8.360 nan 0.000 0.443 462 P HA -0.144 nan 4.420 nan 0.000 0.211 462 P C 1.560 178.838 177.300 -0.038 0.000 1.188 462 P CA 1.168 64.246 63.100 -0.037 0.000 0.904 462 P CB -0.007 31.684 31.700 -0.015 0.000 0.765 463 S N -0.275 115.411 115.700 -0.023 0.000 2.414 463 S HA -0.239 4.231 4.470 0.001 0.000 0.241 463 S C 2.023 176.607 174.600 -0.026 0.000 1.079 463 S CA 2.301 60.489 58.200 -0.019 0.000 1.087 463 S CB -2.042 61.150 63.200 -0.013 0.000 0.927 463 S HN -0.053 nan 8.310 nan 0.000 0.456 464 V N 1.294 121.187 119.914 -0.035 0.000 2.270 464 V HA -0.100 4.020 4.120 0.001 0.000 0.245 464 V C 2.711 178.777 176.094 -0.047 0.000 1.043 464 V CA 1.665 63.943 62.300 -0.035 0.000 1.014 464 V CB -0.761 31.045 31.823 -0.029 0.000 0.645 464 V HN 0.495 nan 8.190 nan 0.000 0.447 465 V N 0.274 120.130 119.914 -0.098 0.000 2.332 465 V HA -0.279 3.842 4.120 0.001 0.000 0.248 465 V C 2.680 178.755 176.094 -0.032 0.000 1.055 465 V CA 2.067 64.286 62.300 -0.135 0.000 1.038 465 V CB -1.059 30.495 31.823 -0.448 0.000 0.651 465 V HN 0.566 nan 8.190 nan 0.000 0.450 466 A N 0.685 123.487 122.820 -0.030 0.000 1.858 466 A HA -0.315 4.006 4.320 0.001 0.000 0.216 466 A C 2.065 179.655 177.584 0.010 0.000 1.190 466 A CA 2.412 54.451 52.037 0.004 0.000 0.617 466 A CB -0.955 18.046 19.000 0.000 0.000 0.827 466 A HN 0.687 nan 8.150 nan 0.000 0.443 467 N N -0.232 118.464 118.700 -0.006 0.000 2.069 467 N HA -0.201 4.539 4.740 0.001 0.000 0.191 467 N C 1.783 177.284 175.510 -0.014 0.000 1.031 467 N CA 3.223 56.267 53.050 -0.009 0.000 0.852 467 N CB -0.558 37.918 38.487 -0.018 0.000 1.018 467 N HN 0.490 nan 8.380 nan 0.000 0.423 468 T N -2.267 112.262 114.554 -0.042 0.000 2.951 468 T HA 0.007 4.357 4.350 0.001 0.000 0.268 468 T C 1.913 176.622 174.700 0.015 0.000 1.073 468 T CA 1.137 63.183 62.100 -0.090 0.000 1.134 468 T CB -0.667 68.029 68.868 -0.287 0.000 0.884 468 T HN 0.025 nan 8.240 nan 0.000 0.479 469 V N 1.919 121.876 119.914 0.071 0.000 2.343 469 V HA -0.125 3.996 4.120 0.001 0.000 0.247 469 V C 2.854 179.040 176.094 0.154 0.000 1.051 469 V CA 1.842 64.235 62.300 0.155 0.000 1.036 469 V CB -0.516 31.387 31.823 0.133 0.000 0.654 469 V HN 0.529 nan 8.190 nan 0.000 0.451 470 K N 0.348 120.799 120.400 0.084 0.000 2.103 470 K HA -0.145 4.175 4.320 0.001 0.000 0.207 470 K C 2.204 178.832 176.600 0.047 0.000 1.048 470 K CA 1.495 57.818 56.287 0.059 0.000 0.930 470 K CB -0.712 31.807 32.500 0.031 0.000 0.716 470 K HN 0.572 nan 8.250 nan 0.000 0.444 471 G N 1.292 110.112 108.800 0.034 0.000 2.479 471 G HA2 -0.162 3.798 3.960 0.001 0.000 0.220 471 G HA3 -0.162 3.798 3.960 0.001 0.000 0.220 471 G C 0.884 175.764 174.900 -0.034 0.000 1.115 471 G CA 0.979 46.075 45.100 -0.008 0.000 0.757 471 G HN 0.398 nan 8.290 nan 0.000 0.560 472 G N -1.127 107.682 108.800 0.015 0.000 2.630 472 G HA2 0.516 4.477 3.960 0.001 0.000 0.223 472 G HA3 0.516 4.477 3.960 0.001 0.000 0.223 472 G C -0.888 174.009 174.900 -0.005 0.000 1.434 472 G CA -0.385 44.666 45.100 -0.081 0.000 1.057 472 G HN 0.170 nan 8.290 nan 0.000 0.570 473 D N -2.184 118.224 120.400 0.013 0.000 2.596 473 D HA 0.481 5.121 4.640 0.001 0.000 0.262 473 D C 0.761 177.109 176.300 0.080 0.000 1.210 473 D CA 0.536 54.556 54.000 0.033 0.000 0.873 473 D CB 1.863 42.658 40.800 -0.009 0.000 1.408 473 D HN 0.879 nan 8.370 nan 0.000 0.441 474 G N 1.396 110.234 108.800 0.063 0.000 2.634 474 G HA2 -0.320 3.640 3.960 0.001 0.000 0.309 474 G HA3 -0.320 3.640 3.960 0.001 0.000 0.309 474 G C 0.299 175.256 174.900 0.095 0.000 1.265 474 G CA 0.146 45.287 45.100 0.067 0.000 0.998 474 G HN 0.586 nan 8.290 nan 0.000 0.551 475 N N 0.435 119.196 118.700 0.102 0.000 2.376 475 N HA 0.169 4.909 4.740 0.001 0.000 0.249 475 N C -0.116 175.482 175.510 0.148 0.000 1.140 475 N CA 0.014 53.124 53.050 0.101 0.000 0.870 475 N CB 0.351 38.878 38.487 0.067 0.000 1.124 475 N HN 0.467 nan 8.380 nan 0.000 0.505 476 Y N 1.322 121.653 120.300 0.051 0.000 2.442 476 Y HA 0.406 4.957 4.550 0.001 0.000 0.330 476 Y C 0.782 176.745 175.900 0.105 0.000 1.129 476 Y CA 0.118 58.262 58.100 0.073 0.000 1.365 476 Y CB 0.435 38.930 38.460 0.059 0.000 1.233 476 Y HN 0.142 nan 8.280 nan 0.000 0.529 477 G N 3.839 112.421 108.800 -0.364 0.000 2.682 477 G HA2 0.280 4.240 3.960 0.001 0.000 0.303 477 G HA3 0.280 4.240 3.960 0.001 0.000 0.303 477 G C -2.491 172.334 174.900 -0.124 0.000 1.341 477 G CA -0.898 44.096 45.100 -0.177 0.000 0.784 477 G HN 0.552 nan 8.290 nan 0.000 0.497 478 Y N 1.234 121.459 120.300 -0.125 0.000 2.352 478 Y HA 0.645 5.195 4.550 0.001 0.000 0.339 478 Y C -0.346 175.428 175.900 -0.210 0.000 0.992 478 Y CA -1.526 56.423 58.100 -0.251 0.000 1.100 478 Y CB 1.859 40.203 38.460 -0.192 0.000 1.192 478 Y HN 0.442 nan 8.280 nan 0.000 0.458 479 N N 4.761 123.034 118.700 -0.713 0.000 2.589 479 N HA 0.253 4.993 4.740 0.001 0.000 0.232 479 N C 0.424 175.436 175.510 -0.830 0.000 1.015 479 N CA 0.418 53.132 53.050 -0.561 0.000 0.931 479 N CB 1.099 39.375 38.487 -0.350 0.000 1.150 479 N HN 0.865 nan 8.380 nan 0.000 0.512 480 A N 3.604 126.033 122.820 -0.651 0.000 1.986 480 A HA -0.119 4.202 4.320 0.001 0.000 0.220 480 A C 2.079 179.483 177.584 -0.301 0.000 1.171 480 A CA 1.892 53.645 52.037 -0.474 0.000 0.640 480 A CB -0.725 18.220 19.000 -0.091 0.000 0.811 480 A HN 0.714 nan 8.150 nan 0.000 0.451 481 A N -0.666 122.008 122.820 -0.244 0.000 1.902 481 A HA -0.065 4.256 4.320 0.001 0.000 0.217 481 A C 2.272 179.756 177.584 -0.167 0.000 1.181 481 A CA 2.387 54.329 52.037 -0.158 0.000 0.623 481 A CB -0.870 18.057 19.000 -0.121 0.000 0.818 481 A HN 0.898 nan 8.150 nan 0.000 0.443 482 T N -3.092 111.323 114.554 -0.232 0.000 3.044 482 T HA 0.239 4.590 4.350 0.001 0.000 0.260 482 T C 0.223 174.787 174.700 -0.227 0.000 1.019 482 T CA 0.670 62.658 62.100 -0.187 0.000 0.921 482 T CB -0.377 68.400 68.868 -0.152 0.000 1.053 482 T HN 0.646 nan 8.240 nan 0.000 0.533 483 E N 0.601 120.573 120.200 -0.381 0.000 2.494 483 E HA -0.226 4.125 4.350 0.001 0.000 0.249 483 E C -0.812 175.581 176.600 -0.344 0.000 1.184 483 E CA 0.715 56.868 56.400 -0.412 0.000 0.727 483 E CB -2.347 27.313 29.700 -0.067 0.000 1.281 483 E HN 0.748 nan 8.360 nan 0.000 0.405 484 E N -0.199 119.759 120.200 -0.404 0.000 2.195 484 E HA 0.478 4.829 4.350 0.001 0.000 0.271 484 E C -0.616 175.786 176.600 -0.331 0.000 0.923 484 E CA -0.749 55.498 56.400 -0.256 0.000 0.790 484 E CB 0.908 30.542 29.700 -0.111 0.000 1.155 484 E HN 0.121 nan 8.360 nan 0.000 0.402 485 Y N 0.806 121.102 120.300 -0.007 0.000 2.300 485 Y HA 0.627 5.178 4.550 0.001 0.000 0.328 485 Y C 1.154 176.989 175.900 -0.109 0.000 1.270 485 Y CA 0.307 58.324 58.100 -0.138 0.000 1.352 485 Y CB 1.476 39.868 38.460 -0.114 0.000 1.286 485 Y HN 0.668 nan 8.280 nan 0.000 0.536 486 G N 0.634 109.382 108.800 -0.086 0.000 2.336 486 G HA2 -0.022 3.939 3.960 0.001 0.000 0.286 486 G HA3 -0.022 3.939 3.960 0.001 0.000 0.286 486 G C -1.912 173.043 174.900 0.092 0.000 1.269 486 G CA -1.155 44.011 45.100 0.109 0.000 0.873 486 G HN 0.540 nan 8.290 nan 0.000 0.494 487 N N 1.140 119.915 118.700 0.125 0.000 2.406 487 N HA 0.146 4.887 4.740 0.001 0.000 0.251 487 N C 1.643 177.174 175.510 0.036 0.000 1.069 487 N CA -0.565 52.548 53.050 0.105 0.000 0.947 487 N CB 0.847 39.394 38.487 0.101 0.000 1.111 487 N HN 0.371 nan 8.380 nan 0.000 0.497 488 M N 3.528 123.138 119.600 0.017 0.000 2.144 488 M HA -0.167 4.314 4.480 0.001 0.000 0.260 488 M C 1.693 177.992 176.300 -0.002 0.000 1.067 488 M CA 1.257 56.551 55.300 -0.011 0.000 1.095 488 M CB -0.524 32.072 32.600 -0.007 0.000 1.365 488 M HN 0.596 nan 8.290 nan 0.000 0.406 489 I N 0.029 120.608 120.570 0.015 0.000 2.193 489 I HA -0.262 3.909 4.170 0.001 0.000 0.240 489 I C 1.905 178.028 176.117 0.009 0.000 1.084 489 I CA 1.070 62.377 61.300 0.013 0.000 1.365 489 I CB -0.406 37.606 38.000 0.020 0.000 1.064 489 I HN 0.181 nan 8.210 nan 0.000 0.410 490 D N 0.782 121.192 120.400 0.017 0.000 2.116 490 D HA -0.230 4.411 4.640 0.001 0.000 0.193 490 D C 2.101 178.403 176.300 0.002 0.000 0.998 490 D CA 1.640 55.648 54.000 0.014 0.000 0.836 490 D CB -0.267 40.548 40.800 0.025 0.000 0.951 490 D HN 0.303 nan 8.370 nan 0.000 0.449 491 M N -0.802 118.795 119.600 -0.006 0.000 2.686 491 M HA 0.090 4.571 4.480 0.001 0.000 0.246 491 M C 1.081 177.364 176.300 -0.029 0.000 1.096 491 M CA 0.803 56.088 55.300 -0.024 0.000 1.076 491 M CB 0.182 32.755 32.600 -0.046 0.000 1.504 491 M HN 0.130 nan 8.290 nan 0.000 0.524 492 G N 1.545 110.334 108.800 -0.019 0.000 2.160 492 G HA2 -0.196 3.764 3.960 0.001 0.000 0.244 492 G HA3 -0.196 3.764 3.960 0.001 0.000 0.244 492 G C -0.180 174.705 174.900 -0.024 0.000 1.022 492 G CA -0.363 44.726 45.100 -0.018 0.000 0.741 492 G HN 0.389 nan 8.290 nan 0.000 0.508 493 I N 1.427 121.980 120.570 -0.028 0.000 2.412 493 I HA 0.512 4.683 4.170 0.001 0.000 0.279 493 I C 0.533 176.641 176.117 -0.016 0.000 1.063 493 I CA -0.991 60.291 61.300 -0.030 0.000 1.193 493 I CB 0.290 38.260 38.000 -0.051 0.000 1.370 493 I HN 0.389 nan 8.210 nan 0.000 0.479 494 L N 2.650 123.868 121.223 -0.008 0.000 2.371 494 L HA 0.834 5.174 4.340 0.001 0.000 0.262 494 L C -1.336 175.536 176.870 0.003 0.000 1.006 494 L CA -0.638 54.202 54.840 0.001 0.000 0.818 494 L CB 3.067 45.129 42.059 0.005 0.000 1.354 494 L HN 0.082 nan 8.230 nan 0.000 0.415 495 D N 1.517 121.922 120.400 0.007 0.000 2.350 495 D HA 0.520 5.160 4.640 0.001 0.000 0.245 495 D C -2.638 173.669 176.300 0.012 0.000 1.036 495 D CA -1.367 52.638 54.000 0.008 0.000 0.848 495 D CB 2.299 43.104 40.800 0.008 0.000 1.307 495 D HN 0.383 nan 8.370 nan 0.000 0.469 496 P HA 0.044 nan 4.420 nan 0.000 0.267 496 P C 0.802 178.112 177.300 0.017 0.000 1.200 496 P CA 0.057 63.167 63.100 0.016 0.000 0.772 496 P CB 0.653 32.363 31.700 0.018 0.000 0.855 497 T N 1.583 116.148 114.554 0.018 0.000 2.708 497 T HA -0.176 4.175 4.350 0.001 0.000 0.266 497 T C 1.648 176.361 174.700 0.021 0.000 1.037 497 T CA 1.097 63.208 62.100 0.019 0.000 1.146 497 T CB -0.374 68.505 68.868 0.018 0.000 0.865 497 T HN 0.477 nan 8.240 nan 0.000 0.435 498 K N 0.608 121.021 120.400 0.022 0.000 2.052 498 K HA -0.196 4.125 4.320 0.001 0.000 0.215 498 K C 2.442 179.061 176.600 0.031 0.000 1.053 498 K CA 2.030 58.334 56.287 0.027 0.000 0.934 498 K CB -0.582 31.935 32.500 0.029 0.000 0.717 498 K HN 0.327 nan 8.250 nan 0.000 0.450 499 V N -0.257 119.671 119.914 0.023 0.000 2.379 499 V HA -0.168 3.952 4.120 0.001 0.000 0.245 499 V C 1.837 177.948 176.094 0.029 0.000 1.044 499 V CA 2.444 64.757 62.300 0.021 0.000 1.036 499 V CB -0.571 31.252 31.823 -0.000 0.000 0.664 499 V HN 0.343 nan 8.190 nan 0.000 0.453 500 T N 0.540 115.109 114.554 0.024 0.000 2.746 500 T HA -0.161 4.189 4.350 0.001 0.000 0.267 500 T C 1.924 176.643 174.700 0.032 0.000 1.039 500 T CA 2.128 64.243 62.100 0.026 0.000 1.142 500 T CB -0.359 68.522 68.868 0.022 0.000 0.866 500 T HN 0.647 nan 8.240 nan 0.000 0.444 501 R N 0.972 121.490 120.500 0.030 0.000 2.075 501 R HA -0.111 4.230 4.340 0.001 0.000 0.230 501 R C 2.598 178.922 176.300 0.040 0.000 1.140 501 R CA 1.992 58.107 56.100 0.025 0.000 0.928 501 R CB -0.598 29.711 30.300 0.016 0.000 0.834 501 R HN 0.228 nan 8.270 nan 0.000 0.429 502 S N 0.873 116.614 115.700 0.067 0.000 2.378 502 S HA -0.280 4.190 4.470 0.001 0.000 0.229 502 S C 2.102 176.832 174.600 0.217 0.000 1.052 502 S CA 1.591 59.883 58.200 0.153 0.000 1.084 502 S CB -0.642 62.669 63.200 0.186 0.000 0.950 502 S HN 0.626 nan 8.310 nan 0.000 0.440 503 A N 1.491 124.392 122.820 0.136 0.000 1.884 503 A HA -0.159 4.162 4.320 0.001 0.000 0.219 503 A C 2.168 179.817 177.584 0.109 0.000 1.197 503 A CA 1.783 53.887 52.037 0.112 0.000 0.637 503 A CB -0.970 18.064 19.000 0.056 0.000 0.827 503 A HN 0.468 nan 8.150 nan 0.000 0.450 504 L N -1.062 120.201 121.223 0.067 0.000 2.017 504 L HA -0.250 4.091 4.340 0.001 0.000 0.208 504 L C 2.860 179.749 176.870 0.031 0.000 1.073 504 L CA 2.153 57.018 54.840 0.043 0.000 0.745 504 L CB -0.538 41.535 42.059 0.023 0.000 0.894 504 L HN 0.549 nan 8.230 nan 0.000 0.432 505 Q N -1.448 118.353 119.800 0.000 0.000 2.124 505 Q HA -0.240 4.101 4.340 0.001 0.000 0.202 505 Q C 1.969 177.911 176.000 -0.096 0.000 0.977 505 Q CA 1.820 57.573 55.803 -0.084 0.000 0.850 505 Q CB -0.097 28.536 28.738 -0.174 0.000 0.901 505 Q HN 0.482 nan 8.270 nan 0.000 0.429 506 Y N -0.340 119.960 120.300 0.000 0.000 2.286 506 Y HA -0.086 4.464 4.550 0.001 0.000 0.293 506 Y C 2.240 178.141 175.900 0.000 0.000 1.124 506 Y CA 0.905 59.005 58.100 -0.001 0.000 1.178 506 Y CB -0.342 38.116 38.460 -0.003 0.000 1.010 506 Y HN 0.121 nan 8.280 nan 0.000 0.536 507 A N -0.138 122.779 122.820 0.161 0.000 1.933 507 A HA -0.126 4.195 4.320 0.001 0.000 0.218 507 A C 2.409 180.030 177.584 0.060 0.000 1.175 507 A CA 1.756 53.849 52.037 0.092 0.000 0.628 507 A CB -1.140 17.897 19.000 0.062 0.000 0.814 507 A HN 0.377 nan 8.150 nan 0.000 0.444 508 A N -0.488 122.355 122.820 0.038 0.000 1.969 508 A HA -0.044 4.276 4.320 0.001 0.000 0.218 508 A C 2.463 180.055 177.584 0.013 0.000 1.169 508 A CA 2.061 54.107 52.037 0.016 0.000 0.635 508 A CB -0.807 18.192 19.000 -0.002 0.000 0.810 508 A HN 0.717 nan 8.150 nan 0.000 0.445 509 S N -0.639 115.069 115.700 0.013 0.000 2.345 509 S HA -0.128 4.342 4.470 0.001 0.000 0.220 509 S C 1.935 176.557 174.600 0.036 0.000 1.031 509 S CA 1.704 59.910 58.200 0.011 0.000 0.996 509 S CB -0.644 62.555 63.200 -0.001 0.000 0.882 509 S HN 0.522 nan 8.310 nan 0.000 0.445 510 V N 1.535 121.485 119.914 0.061 0.000 2.626 510 V HA 0.101 4.221 4.120 0.001 0.000 0.252 510 V C 2.605 178.720 176.094 0.037 0.000 1.067 510 V CA 1.705 64.037 62.300 0.053 0.000 1.081 510 V CB -0.933 30.927 31.823 0.062 0.000 0.686 510 V HN 0.641 nan 8.190 nan 0.000 0.468 511 A N -0.041 122.798 122.820 0.032 0.000 1.872 511 A HA 0.069 4.390 4.320 0.001 0.000 0.214 511 A C 2.372 179.967 177.584 0.019 0.000 1.187 511 A CA 1.519 53.571 52.037 0.024 0.000 0.614 511 A CB -1.350 17.663 19.000 0.022 0.000 0.826 511 A HN 0.582 nan 8.150 nan 0.000 0.442 512 G N 0.001 108.811 108.800 0.016 0.000 2.476 512 G HA2 -0.196 3.765 3.960 0.001 0.000 0.218 512 G HA3 -0.196 3.765 3.960 0.001 0.000 0.218 512 G C 1.412 176.321 174.900 0.015 0.000 1.164 512 G CA 1.289 46.396 45.100 0.012 0.000 0.768 512 G HN 0.322 nan 8.290 nan 0.000 0.560 513 L N 0.298 121.532 121.223 0.018 0.000 2.013 513 L HA -0.013 4.328 4.340 0.001 0.000 0.212 513 L C 3.059 179.941 176.870 0.020 0.000 1.073 513 L CA 1.537 56.389 54.840 0.020 0.000 0.753 513 L CB -0.749 41.325 42.059 0.025 0.000 0.890 513 L HN 0.263 nan 8.230 nan 0.000 0.432 514 M N -1.609 118.003 119.600 0.021 0.000 2.099 514 M HA -0.207 4.273 4.480 0.001 0.000 0.262 514 M C 2.210 178.520 176.300 0.018 0.000 1.067 514 M CA 1.640 56.952 55.300 0.020 0.000 1.124 514 M CB -0.368 32.244 32.600 0.021 0.000 1.353 514 M HN 0.137 nan 8.290 nan 0.000 0.410 515 I N 0.174 120.754 120.570 0.016 0.000 2.657 515 I HA -0.238 3.932 4.170 0.001 0.000 0.261 515 I C 1.648 177.775 176.117 0.016 0.000 1.212 515 I CA 1.348 62.657 61.300 0.014 0.000 1.453 515 I CB -0.486 37.522 38.000 0.012 0.000 1.092 515 I HN 0.411 nan 8.210 nan 0.000 0.452 516 T N -4.160 110.405 114.554 0.017 0.000 3.174 516 T HA 0.180 4.531 4.350 0.001 0.000 0.269 516 T C 0.551 175.265 174.700 0.023 0.000 1.017 516 T CA -0.309 61.803 62.100 0.019 0.000 0.899 516 T CB -0.278 68.600 68.868 0.017 0.000 1.077 516 T HN -0.063 nan 8.240 nan 0.000 0.552 517 T N 2.622 117.189 114.554 0.022 0.000 2.780 517 T HA 0.299 4.650 4.350 0.001 0.000 0.294 517 T C 0.595 175.313 174.700 0.030 0.000 0.949 517 T CA -0.449 61.665 62.100 0.023 0.000 1.074 517 T CB 1.401 70.281 68.868 0.020 0.000 0.910 517 T HN 0.114 nan 8.240 nan 0.000 0.501 518 E N 0.584 120.808 120.200 0.040 0.000 2.490 518 E HA 0.177 4.527 4.350 0.001 0.000 0.209 518 E C 0.164 176.800 176.600 0.061 0.000 0.971 518 E CA 0.088 56.531 56.400 0.072 0.000 0.988 518 E CB 0.773 30.534 29.700 0.102 0.000 1.029 518 E HN 0.545 nan 8.360 nan 0.000 0.496 519 C N 0.389 119.680 119.300 -0.016 0.000 3.086 519 C HA 0.700 5.161 4.460 0.001 0.000 0.311 519 C C -1.467 173.456 174.990 -0.112 0.000 1.260 519 C CA -0.540 58.377 59.018 -0.168 0.000 1.426 519 C CB 0.843 28.473 27.740 -0.185 0.000 1.826 519 C HN 0.145 nan 8.230 nan 0.000 0.474 520 M N 4.894 124.413 119.600 -0.135 0.000 2.183 520 M HA 0.444 4.925 4.480 0.001 0.000 0.277 520 M C -1.304 175.052 176.300 0.095 0.000 0.995 520 M CA -0.369 54.962 55.300 0.051 0.000 0.969 520 M CB 1.971 34.707 32.600 0.225 0.000 1.659 520 M HN 0.407 nan 8.290 nan 0.000 0.462 521 V N 1.862 121.776 119.914 -0.001 0.000 2.459 521 V HA 0.827 4.947 4.120 0.001 0.000 0.295 521 V C -0.152 175.857 176.094 -0.142 0.000 1.029 521 V CA -0.309 61.961 62.300 -0.050 0.000 0.874 521 V CB 1.977 33.771 31.823 -0.049 0.000 0.985 521 V HN 0.921 nan 8.190 nan 0.000 0.438 522 T N 2.200 116.622 114.554 -0.221 0.000 2.769 522 T HA 0.297 4.648 4.350 0.001 0.000 0.306 522 T C -1.468 173.103 174.700 -0.216 0.000 1.400 522 T CA -0.642 61.278 62.100 -0.301 0.000 1.007 522 T CB 1.906 70.405 68.868 -0.615 0.000 1.392 522 T HN 0.668 nan 8.240 nan 0.000 0.500 523 D N 1.611 121.905 120.400 -0.176 0.000 2.357 523 D HA 0.258 4.899 4.640 0.001 0.000 0.242 523 D C 0.262 176.501 176.300 -0.101 0.000 1.153 523 D CA -0.136 53.799 54.000 -0.108 0.000 0.918 523 D CB 0.770 41.522 40.800 -0.080 0.000 1.181 523 D HN 0.415 nan 8.370 nan 0.000 0.435 524 L N 2.559 123.752 121.223 -0.051 0.000 2.453 524 L HA 0.088 4.429 4.340 0.001 0.000 0.272 524 L C -1.310 175.545 176.870 -0.024 0.000 1.182 524 L CA -1.331 53.495 54.840 -0.023 0.000 0.858 524 L CB 0.017 42.073 42.059 -0.004 0.000 1.120 524 L HN 0.247 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 525 P CB 0.000 31.710 31.700 0.017 0.000 0.726