REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1kp8_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.206 124.026 122.820 -0.000 0.000 2.531 3 A HA 0.520 4.840 4.320 -0.000 0.000 0.236 3 A C 0.228 177.814 177.584 0.003 0.000 1.062 3 A CA 0.426 52.467 52.037 0.007 0.000 0.760 3 A CB -0.094 18.913 19.000 0.012 0.000 0.995 3 A HN 0.612 nan 8.150 nan 0.000 0.501 4 K N 1.256 121.663 120.400 0.013 0.000 2.238 4 K HA 0.446 4.766 4.320 -0.000 0.000 0.239 4 K C -1.081 175.546 176.600 0.046 0.000 0.987 4 K CA -0.713 55.581 56.287 0.011 0.000 0.857 4 K CB 1.488 33.993 32.500 0.009 0.000 1.154 4 K HN 0.743 nan 8.250 nan 0.000 0.439 5 D N 0.896 121.336 120.400 0.067 0.000 2.278 5 D HA 0.383 5.023 4.640 -0.000 0.000 0.245 5 D C -1.251 175.210 176.300 0.269 0.000 1.052 5 D CA -0.591 53.520 54.000 0.184 0.000 0.834 5 D CB 1.463 42.421 40.800 0.264 0.000 1.194 5 D HN 0.041 nan 8.370 nan 0.000 0.481 6 V N 4.060 124.100 119.914 0.211 0.000 2.540 6 V HA 0.471 4.591 4.120 -0.000 0.000 0.302 6 V C -0.007 176.069 176.094 -0.030 0.000 1.035 6 V CA -0.769 61.584 62.300 0.089 0.000 0.873 6 V CB 1.975 33.819 31.823 0.034 0.000 0.992 6 V HN 0.406 nan 8.190 nan 0.000 0.428 7 K N 3.616 123.873 120.400 -0.238 0.000 2.422 7 K HA 0.733 5.053 4.320 -0.000 0.000 0.251 7 K C -1.653 174.677 176.600 -0.450 0.000 0.933 7 K CA -0.494 55.587 56.287 -0.342 0.000 0.798 7 K CB 2.609 34.678 32.500 -0.718 0.000 1.238 7 K HN 0.462 nan 8.250 nan 0.000 0.428 8 F N -0.114 119.781 119.950 -0.092 0.000 2.579 8 F HA 0.402 4.929 4.527 -0.000 0.000 0.324 8 F C 1.380 177.146 175.800 -0.056 0.000 1.058 8 F CA -0.069 57.900 58.000 -0.051 0.000 0.944 8 F CB 1.547 40.528 39.000 -0.032 0.000 1.245 8 F HN 0.818 nan 8.300 nan 0.000 0.477 9 G N 1.688 110.589 108.800 0.168 0.000 2.648 9 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.357 9 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.357 9 G C 1.293 176.211 174.900 0.030 0.000 1.342 9 G CA 0.980 46.129 45.100 0.082 0.000 0.978 9 G HN 0.719 nan 8.290 nan 0.000 0.532 10 N N 0.864 119.576 118.700 0.021 0.000 2.069 10 N HA -0.170 4.570 4.740 -0.000 0.000 0.196 10 N C 1.798 177.295 175.510 -0.022 0.000 1.024 10 N CA 2.136 55.186 53.050 0.000 0.000 0.869 10 N CB -0.466 38.021 38.487 -0.000 0.000 1.035 10 N HN 0.555 nan 8.380 nan 0.000 0.434 11 D N 0.458 120.839 120.400 -0.031 0.000 2.123 11 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 11 D C 1.813 178.031 176.300 -0.137 0.000 0.992 11 D CA 1.232 55.182 54.000 -0.083 0.000 0.833 11 D CB -0.384 40.358 40.800 -0.095 0.000 0.954 11 D HN 0.333 nan 8.370 nan 0.000 0.455 12 A N 0.727 123.471 122.820 -0.127 0.000 1.898 12 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 12 A C 2.404 179.956 177.584 -0.055 0.000 1.181 12 A CA 1.981 53.935 52.037 -0.139 0.000 0.620 12 A CB -1.087 17.852 19.000 -0.103 0.000 0.819 12 A HN 0.293 nan 8.150 nan 0.000 0.442 13 G N 0.135 108.918 108.800 -0.029 0.000 2.476 13 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 13 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 13 G C 1.650 176.546 174.900 -0.007 0.000 1.164 13 G CA 2.286 47.381 45.100 -0.008 0.000 0.768 13 G HN 1.047 nan 8.290 nan 0.000 0.560 14 V N -1.361 118.543 119.914 -0.017 0.000 2.515 14 V HA -0.039 4.081 4.120 -0.000 0.000 0.250 14 V C 2.520 178.613 176.094 -0.002 0.000 1.058 14 V CA 2.067 64.361 62.300 -0.010 0.000 1.064 14 V CB -0.471 31.342 31.823 -0.017 0.000 0.675 14 V HN 0.087 nan 8.190 nan 0.000 0.461 15 K N 0.203 120.598 120.400 -0.009 0.000 2.025 15 K HA 0.021 4.341 4.320 -0.000 0.000 0.207 15 K C 2.239 178.871 176.600 0.054 0.000 1.049 15 K CA 2.054 58.360 56.287 0.031 0.000 0.933 15 K CB -0.586 31.942 32.500 0.047 0.000 0.714 15 K HN 0.524 nan 8.250 nan 0.000 0.438 16 M N 0.331 119.959 119.600 0.046 0.000 2.086 16 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 16 M C 2.233 178.550 176.300 0.029 0.000 1.067 16 M CA 1.182 56.508 55.300 0.044 0.000 1.116 16 M CB -0.379 32.242 32.600 0.036 0.000 1.348 16 M HN 0.024 nan 8.290 nan 0.000 0.407 17 L N 0.514 121.749 121.223 0.020 0.000 2.042 17 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 17 L C 2.472 179.351 176.870 0.016 0.000 1.076 17 L CA 1.903 56.752 54.840 0.015 0.000 0.749 17 L CB -0.658 41.407 42.059 0.010 0.000 0.893 17 L HN 0.146 nan 8.230 nan 0.000 0.432 18 R N -0.095 120.415 120.500 0.018 0.000 2.075 18 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 18 R C 2.188 178.499 176.300 0.019 0.000 1.126 18 R CA 1.720 57.831 56.100 0.018 0.000 0.963 18 R CB -1.385 28.927 30.300 0.021 0.000 0.858 18 R HN 0.422 nan 8.270 nan 0.000 0.435 19 G N 0.001 108.816 108.800 0.026 0.000 2.418 19 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 19 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 19 G C 1.453 176.362 174.900 0.015 0.000 1.158 19 G CA 1.096 46.209 45.100 0.022 0.000 0.771 19 G HN 0.368 nan 8.290 nan 0.000 0.545 20 V N -0.027 119.896 119.914 0.016 0.000 2.515 20 V HA -0.088 4.032 4.120 -0.000 0.000 0.250 20 V C 2.197 178.297 176.094 0.009 0.000 1.058 20 V CA 2.193 64.500 62.300 0.012 0.000 1.064 20 V CB -0.526 31.305 31.823 0.013 0.000 0.675 20 V HN 0.188 nan 8.190 nan 0.000 0.461 21 N N 0.872 119.578 118.700 0.009 0.000 2.188 21 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 21 N C 1.792 177.305 175.510 0.005 0.000 1.018 21 N CA 1.763 54.818 53.050 0.007 0.000 0.858 21 N CB -0.509 37.982 38.487 0.007 0.000 0.989 21 N HN 0.504 nan 8.380 nan 0.000 0.426 22 V N 1.416 121.333 119.914 0.005 0.000 2.307 22 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 22 V C 2.386 178.480 176.094 0.000 0.000 1.045 22 V CA 1.083 63.384 62.300 0.003 0.000 1.024 22 V CB -0.542 31.282 31.823 0.003 0.000 0.651 22 V HN 0.204 nan 8.190 nan 0.000 0.449 23 L N 0.665 121.888 121.223 0.000 0.000 1.994 23 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 23 L C 2.471 179.340 176.870 -0.001 0.000 1.071 23 L CA 2.380 57.218 54.840 -0.002 0.000 0.745 23 L CB -0.728 41.330 42.059 -0.002 0.000 0.892 23 L HN 0.213 nan 8.230 nan 0.000 0.431 24 A N -0.597 122.223 122.820 0.002 0.000 1.902 24 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 24 A C 1.971 179.555 177.584 0.001 0.000 1.181 24 A CA 1.990 54.028 52.037 0.002 0.000 0.623 24 A CB -0.908 18.096 19.000 0.005 0.000 0.818 24 A HN 0.580 nan 8.150 nan 0.000 0.443 25 D N -0.010 120.390 120.400 0.001 0.000 2.144 25 D HA -0.008 4.632 4.640 -0.000 0.000 0.200 25 D C 2.189 178.488 176.300 -0.002 0.000 0.978 25 D CA 1.401 55.401 54.000 0.000 0.000 0.833 25 D CB -0.392 40.408 40.800 0.000 0.000 0.961 25 D HN 0.435 nan 8.370 nan 0.000 0.470 26 A N 0.490 123.309 122.820 -0.003 0.000 1.898 26 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 26 A C 2.501 180.082 177.584 -0.005 0.000 1.181 26 A CA 1.049 53.084 52.037 -0.005 0.000 0.620 26 A CB -0.659 18.337 19.000 -0.006 0.000 0.819 26 A HN 0.136 nan 8.150 nan 0.000 0.442 27 V N 1.414 121.325 119.914 -0.005 0.000 2.323 27 V HA -0.254 3.866 4.120 -0.000 0.000 0.244 27 V C 2.545 178.637 176.094 -0.003 0.000 1.041 27 V CA 2.257 64.554 62.300 -0.005 0.000 1.025 27 V CB -0.730 31.090 31.823 -0.005 0.000 0.656 27 V HN 0.850 nan 8.190 nan 0.000 0.451 28 K N 1.437 121.836 120.400 -0.001 0.000 2.360 28 K HA -0.105 4.215 4.320 -0.000 0.000 0.201 28 K C 1.820 178.420 176.600 -0.001 0.000 1.046 28 K CA 1.706 57.993 56.287 -0.000 0.000 0.945 28 K CB -0.637 31.864 32.500 0.001 0.000 0.750 28 K HN 0.496 nan 8.250 nan 0.000 0.464 29 V N -0.009 119.904 119.914 -0.002 0.000 2.913 29 V HA -0.132 3.988 4.120 -0.000 0.000 0.260 29 V C 2.156 178.248 176.094 -0.002 0.000 1.098 29 V CA 1.731 64.030 62.300 -0.002 0.000 1.121 29 V CB -1.063 30.759 31.823 -0.003 0.000 0.714 29 V HN 0.541 nan 8.190 nan 0.000 0.487 30 T N -2.047 112.505 114.554 -0.004 0.000 3.129 30 T HA 0.242 4.592 4.350 -0.000 0.000 0.251 30 T C 0.516 175.214 174.700 -0.004 0.000 1.117 30 T CA -0.064 62.033 62.100 -0.005 0.000 1.034 30 T CB -0.295 68.568 68.868 -0.007 0.000 0.968 30 T HN 0.392 nan 8.240 nan 0.000 0.526 31 L N 2.568 123.790 121.223 -0.001 0.000 2.410 31 L HA 0.563 4.903 4.340 -0.000 0.000 0.273 31 L C 0.786 177.657 176.870 0.001 0.000 1.152 31 L CA 1.500 56.341 54.840 0.000 0.000 0.855 31 L CB -0.390 41.671 42.059 0.003 0.000 1.129 31 L HN 0.657 nan 8.230 nan 0.000 0.463 32 G N 4.471 113.271 108.800 -0.000 0.000 2.796 32 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.571 32 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.571 32 G C -1.781 173.116 174.900 -0.006 0.000 1.370 32 G CA -0.310 44.790 45.100 -0.001 0.000 0.856 32 G HN 0.630 nan 8.290 nan 0.000 0.538 33 P HA -0.066 nan 4.420 nan 0.000 0.217 33 P C 0.935 178.227 177.300 -0.013 0.000 1.148 33 P CA 1.443 64.533 63.100 -0.018 0.000 0.828 33 P CB 0.080 31.762 31.700 -0.031 0.000 0.783 34 K N 0.253 120.649 120.400 -0.006 0.000 2.570 34 K HA 0.255 4.575 4.320 -0.000 0.000 0.210 34 K C 1.037 177.637 176.600 -0.000 0.000 1.048 34 K CA -0.214 56.072 56.287 -0.002 0.000 1.167 34 K CB 0.106 32.610 32.500 0.006 0.000 0.892 34 K HN 0.071 nan 8.250 nan 0.000 0.480 35 G N 1.553 110.352 108.800 -0.003 0.000 2.484 35 G HA2 0.030 3.990 3.960 -0.000 0.000 0.235 35 G HA3 0.030 3.990 3.960 -0.000 0.000 0.235 35 G C 0.151 175.049 174.900 -0.004 0.000 1.282 35 G CA -0.328 44.770 45.100 -0.003 0.000 0.857 35 G HN 0.088 nan 8.290 nan 0.000 0.571 36 R N 0.896 121.394 120.500 -0.003 0.000 2.596 36 R HA 0.223 4.563 4.340 -0.000 0.000 0.267 36 R C 0.080 176.377 176.300 -0.005 0.000 1.026 36 R CA -0.789 55.309 56.100 -0.004 0.000 1.087 36 R CB 0.559 30.857 30.300 -0.003 0.000 1.132 36 R HN 0.651 nan 8.270 nan 0.000 0.531 37 N N -0.784 117.913 118.700 -0.005 0.000 2.513 37 N HA 0.291 5.031 4.740 -0.000 0.000 0.274 37 N C -0.896 174.611 175.510 -0.006 0.000 1.189 37 N CA -0.364 52.682 53.050 -0.006 0.000 0.975 37 N CB 1.155 39.639 38.487 -0.006 0.000 1.157 37 N HN 0.086 nan 8.380 nan 0.000 0.465 38 V N 1.904 121.814 119.914 -0.007 0.000 2.487 38 V HA 0.318 4.438 4.120 -0.000 0.000 0.298 38 V C -0.445 175.644 176.094 -0.009 0.000 1.028 38 V CA -0.798 61.497 62.300 -0.008 0.000 0.860 38 V CB 1.830 33.647 31.823 -0.009 0.000 0.991 38 V HN 0.330 nan 8.190 nan 0.000 0.427 39 V N 6.493 126.402 119.914 -0.009 0.000 2.383 39 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 39 V C -0.185 175.901 176.094 -0.013 0.000 1.036 39 V CA -0.413 61.881 62.300 -0.010 0.000 0.889 39 V CB 1.344 33.162 31.823 -0.009 0.000 0.985 39 V HN 0.618 nan 8.190 nan 0.000 0.459 40 L N 3.860 125.074 121.223 -0.014 0.000 2.298 40 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 40 L C -0.053 176.804 176.870 -0.021 0.000 1.013 40 L CA -0.606 54.223 54.840 -0.018 0.000 0.824 40 L CB 1.487 43.536 42.059 -0.018 0.000 1.221 40 L HN 0.510 nan 8.230 nan 0.000 0.418 41 D N 3.451 123.835 120.400 -0.027 0.000 2.423 41 D HA 0.156 4.795 4.640 -0.000 0.000 0.238 41 D C -0.400 175.873 176.300 -0.045 0.000 1.142 41 D CA 0.453 54.432 54.000 -0.034 0.000 0.884 41 D CB 0.956 41.732 40.800 -0.040 0.000 1.199 41 D HN 0.355 nan 8.370 nan 0.000 0.438 42 K N 0.412 120.782 120.400 -0.050 0.000 2.328 42 K HA 0.224 4.544 4.320 -0.000 0.000 0.246 42 K C 1.127 177.645 176.600 -0.137 0.000 0.955 42 K CA -0.587 55.660 56.287 -0.067 0.000 0.817 42 K CB 1.630 34.117 32.500 -0.021 0.000 1.208 42 K HN 0.414 nan 8.250 nan 0.000 0.432 43 S N 0.924 116.474 115.700 -0.250 0.000 2.402 43 S HA -0.010 4.460 4.470 -0.000 0.000 0.229 43 S C 0.341 174.515 174.600 -0.710 0.000 1.021 43 S CA 0.728 58.602 58.200 -0.543 0.000 0.974 43 S CB -0.152 62.581 63.200 -0.778 0.000 0.800 43 S HN 0.372 nan 8.310 nan 0.000 0.484 44 F N 1.260 121.206 119.950 -0.006 0.000 2.556 44 F HA 0.700 5.227 4.527 -0.000 0.000 0.314 44 F C 0.948 176.745 175.800 -0.005 0.000 1.106 44 F CA -0.345 57.652 58.000 -0.005 0.000 0.911 44 F CB 1.485 40.481 39.000 -0.005 0.000 1.190 44 F HN 0.424 nan 8.300 nan 0.000 0.448 45 G N 1.008 109.923 108.800 0.191 0.000 2.693 45 G HA2 0.260 4.220 3.960 -0.000 0.000 0.226 45 G HA3 0.260 4.220 3.960 -0.000 0.000 0.226 45 G C -0.576 174.358 174.900 0.057 0.000 1.354 45 G CA -0.591 44.569 45.100 0.101 0.000 0.873 45 G HN 1.243 nan 8.290 nan 0.000 0.562 46 A N 0.842 123.685 122.820 0.039 0.000 2.407 46 A HA 0.709 5.029 4.320 -0.000 0.000 0.248 46 A C -1.229 176.364 177.584 0.015 0.000 1.082 46 A CA 0.050 52.100 52.037 0.022 0.000 0.785 46 A CB -0.233 18.777 19.000 0.016 0.000 1.020 46 A HN 0.768 nan 8.150 nan 0.000 0.489 47 P HA 0.256 nan 4.420 nan 0.000 0.272 47 P C -0.264 177.036 177.300 -0.001 0.000 1.240 47 P CA -0.088 63.011 63.100 -0.002 0.000 0.791 47 P CB 0.347 32.043 31.700 -0.007 0.000 0.978 48 T N 1.933 116.484 114.554 -0.005 0.000 2.780 48 T HA 0.396 4.746 4.350 -0.000 0.000 0.294 48 T C 0.316 175.012 174.700 -0.007 0.000 0.949 48 T CA -0.054 62.043 62.100 -0.005 0.000 1.074 48 T CB -0.215 68.648 68.868 -0.007 0.000 0.910 48 T HN 0.178 nan 8.240 nan 0.000 0.501 49 I N 3.047 123.613 120.570 -0.005 0.000 2.362 49 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 49 I C 0.434 176.546 176.117 -0.008 0.000 0.994 49 I CA -0.477 60.819 61.300 -0.006 0.000 1.158 49 I CB 1.689 39.686 38.000 -0.005 0.000 1.315 49 I HN 0.520 nan 8.210 nan 0.000 0.451 50 T N 4.623 119.172 114.554 -0.009 0.000 2.883 50 T HA 0.417 4.767 4.350 -0.000 0.000 0.301 50 T C -0.106 174.588 174.700 -0.010 0.000 1.158 50 T CA -0.574 61.519 62.100 -0.010 0.000 1.007 50 T CB 1.779 70.639 68.868 -0.012 0.000 1.186 50 T HN 0.661 nan 8.240 nan 0.000 0.499 51 K N 1.450 121.843 120.400 -0.011 0.000 2.506 51 K HA 0.211 4.531 4.320 -0.000 0.000 0.204 51 K C -0.776 175.816 176.600 -0.013 0.000 1.045 51 K CA -0.268 56.013 56.287 -0.011 0.000 1.074 51 K CB 0.574 33.068 32.500 -0.010 0.000 0.842 51 K HN 0.486 nan 8.250 nan 0.000 0.514 52 D N -0.050 120.341 120.400 -0.015 0.000 2.317 52 D HA 0.144 4.784 4.640 -0.000 0.000 0.234 52 D C 1.247 177.537 176.300 -0.018 0.000 1.112 52 D CA -0.231 53.758 54.000 -0.018 0.000 0.840 52 D CB 1.361 42.149 40.800 -0.022 0.000 1.078 52 D HN 0.144 nan 8.370 nan 0.000 0.486 53 G N 2.454 111.244 108.800 -0.017 0.000 2.469 53 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 53 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 53 G C 1.478 176.367 174.900 -0.019 0.000 1.150 53 G CA 0.845 45.936 45.100 -0.015 0.000 0.763 53 G HN 0.487 nan 8.290 nan 0.000 0.561 54 V N 0.985 120.885 119.914 -0.023 0.000 2.343 54 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 54 V C 3.108 179.187 176.094 -0.025 0.000 1.051 54 V CA 2.181 64.465 62.300 -0.026 0.000 1.036 54 V CB -0.512 31.292 31.823 -0.032 0.000 0.654 54 V HN 0.376 nan 8.190 nan 0.000 0.451 55 S N -0.123 115.563 115.700 -0.023 0.000 2.383 55 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 55 S C 1.974 176.561 174.600 -0.020 0.000 1.030 55 S CA 1.569 59.755 58.200 -0.022 0.000 1.002 55 S CB -0.214 62.974 63.200 -0.020 0.000 0.829 55 S HN 0.406 nan 8.310 nan 0.000 0.467 56 V N 1.883 121.786 119.914 -0.019 0.000 2.283 56 V HA -0.131 3.989 4.120 -0.000 0.000 0.243 56 V C 2.687 178.770 176.094 -0.018 0.000 1.039 56 V CA 1.564 63.854 62.300 -0.017 0.000 1.016 56 V CB -1.291 30.523 31.823 -0.014 0.000 0.650 56 V HN 0.527 nan 8.190 nan 0.000 0.449 57 A N 0.054 122.863 122.820 -0.018 0.000 1.917 57 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 57 A C 2.344 179.915 177.584 -0.022 0.000 1.182 57 A CA 2.056 54.081 52.037 -0.019 0.000 0.633 57 A CB -0.601 18.387 19.000 -0.021 0.000 0.819 57 A HN 0.504 nan 8.150 nan 0.000 0.448 58 R N -0.670 119.815 120.500 -0.025 0.000 2.159 58 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 58 R C 1.590 177.874 176.300 -0.027 0.000 1.131 58 R CA 1.291 57.374 56.100 -0.028 0.000 0.982 58 R CB -0.170 30.113 30.300 -0.029 0.000 0.868 58 R HN 0.524 nan 8.270 nan 0.000 0.453 59 E N 0.266 120.451 120.200 -0.024 0.000 2.299 59 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 59 E C 0.539 177.125 176.600 -0.023 0.000 0.998 59 E CA 0.264 56.649 56.400 -0.025 0.000 0.851 59 E CB 0.189 29.875 29.700 -0.024 0.000 0.795 59 E HN 0.147 nan 8.360 nan 0.000 0.492 60 I N 2.299 122.856 120.570 -0.021 0.000 2.505 60 I HA 0.083 4.253 4.170 -0.000 0.000 0.287 60 I C 0.406 176.512 176.117 -0.020 0.000 1.104 60 I CA 0.410 61.699 61.300 -0.019 0.000 1.387 60 I CB -0.255 37.736 38.000 -0.015 0.000 1.404 60 I HN -0.029 nan 8.210 nan 0.000 0.528 61 E N 6.923 127.111 120.200 -0.020 0.000 2.304 61 E HA 0.541 4.891 4.350 -0.000 0.000 0.277 61 E C -1.682 174.907 176.600 -0.019 0.000 0.898 61 E CA -0.616 55.771 56.400 -0.022 0.000 0.764 61 E CB 2.069 31.753 29.700 -0.026 0.000 1.216 61 E HN 0.441 nan 8.360 nan 0.000 0.419 62 L N 3.089 124.301 121.223 -0.017 0.000 2.334 62 L HA 0.406 4.746 4.340 -0.000 0.000 0.270 62 L C 1.451 178.312 176.870 -0.015 0.000 1.018 62 L CA -0.551 54.282 54.840 -0.012 0.000 0.811 62 L CB 1.537 43.595 42.059 -0.002 0.000 1.271 62 L HN 0.753 nan 8.230 nan 0.000 0.443 63 E N 0.538 120.732 120.200 -0.009 0.000 2.028 63 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 63 E C 0.477 177.072 176.600 -0.008 0.000 0.984 63 E CA 0.543 56.937 56.400 -0.010 0.000 0.800 63 E CB 0.248 29.945 29.700 -0.004 0.000 0.758 63 E HN 0.655 nan 8.360 nan 0.000 0.448 64 D N 0.719 121.126 120.400 0.011 0.000 2.434 64 D HA -0.072 4.568 4.640 -0.000 0.000 0.252 64 D C 0.694 176.994 176.300 0.001 0.000 1.185 64 D CA 0.085 54.105 54.000 0.035 0.000 0.886 64 D CB 0.922 41.766 40.800 0.074 0.000 1.148 64 D HN 0.041 nan 8.370 nan 0.000 0.483 65 K N 3.611 123.971 120.400 -0.067 0.000 2.103 65 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 65 K C 1.897 178.338 176.600 -0.265 0.000 1.048 65 K CA 1.196 57.354 56.287 -0.215 0.000 0.930 65 K CB -0.311 31.965 32.500 -0.373 0.000 0.716 65 K HN 0.497 nan 8.250 nan 0.000 0.444 66 F N 1.625 121.563 119.950 -0.019 0.000 2.163 66 F HA -0.046 4.481 4.527 -0.000 0.000 0.297 66 F C 2.409 178.198 175.800 -0.018 0.000 1.094 66 F CA 0.979 58.966 58.000 -0.023 0.000 1.290 66 F CB -0.412 38.575 39.000 -0.023 0.000 1.017 66 F HN 0.090 nan 8.300 nan 0.000 0.483 67 E N 0.014 120.309 120.200 0.159 0.000 2.077 67 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 67 E C 1.842 178.465 176.600 0.039 0.000 0.989 67 E CA 1.320 57.770 56.400 0.084 0.000 0.800 67 E CB -0.327 29.410 29.700 0.062 0.000 0.746 67 E HN 0.291 nan 8.360 nan 0.000 0.452 68 N N 0.622 119.328 118.700 0.011 0.000 2.120 68 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 68 N C 1.734 177.234 175.510 -0.017 0.000 1.024 68 N CA 1.325 54.367 53.050 -0.014 0.000 0.852 68 N CB -0.001 38.462 38.487 -0.040 0.000 1.003 68 N HN 0.075 nan 8.380 nan 0.000 0.424 69 M N -0.675 118.911 119.600 -0.023 0.000 2.080 69 M HA -0.073 4.407 4.480 -0.000 0.000 0.260 69 M C 2.210 178.514 176.300 0.007 0.000 1.068 69 M CA 1.802 57.091 55.300 -0.018 0.000 1.109 69 M CB -0.711 31.877 32.600 -0.020 0.000 1.342 69 M HN 0.325 nan 8.290 nan 0.000 0.405 70 G N -0.109 108.708 108.800 0.028 0.000 2.440 70 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 70 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 70 G C 1.620 176.528 174.900 0.014 0.000 1.154 70 G CA 1.091 46.206 45.100 0.026 0.000 0.767 70 G HN 0.556 nan 8.290 nan 0.000 0.552 71 A N 0.008 122.833 122.820 0.009 0.000 1.902 71 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 71 A C 2.417 179.998 177.584 -0.005 0.000 1.181 71 A CA 1.954 53.992 52.037 0.001 0.000 0.623 71 A CB -0.329 18.670 19.000 -0.002 0.000 0.818 71 A HN 0.320 nan 8.150 nan 0.000 0.443 72 Q N -0.617 119.177 119.800 -0.010 0.000 2.167 72 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 72 Q C 2.118 178.111 176.000 -0.011 0.000 0.970 72 Q CA 1.346 57.140 55.803 -0.015 0.000 0.855 72 Q CB -0.528 28.197 28.738 -0.022 0.000 0.911 72 Q HN 0.772 nan 8.270 nan 0.000 0.438 73 M N -0.408 119.190 119.600 -0.004 0.000 2.067 73 M HA -0.124 4.356 4.480 -0.000 0.000 0.260 73 M C 2.252 178.554 176.300 0.004 0.000 1.069 73 M CA 1.179 56.480 55.300 0.002 0.000 1.117 73 M CB -0.415 32.190 32.600 0.009 0.000 1.334 73 M HN 0.059 nan 8.290 nan 0.000 0.407 74 V N 0.205 120.123 119.914 0.006 0.000 2.759 74 V HA -0.213 3.906 4.120 -0.000 0.000 0.256 74 V C 2.005 178.099 176.094 -0.000 0.000 1.080 74 V CA 1.748 64.053 62.300 0.009 0.000 1.101 74 V CB -0.455 31.375 31.823 0.011 0.000 0.698 74 V HN 0.402 nan 8.190 nan 0.000 0.477 75 K N -0.310 120.085 120.400 -0.009 0.000 2.280 75 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 75 K C 2.043 178.625 176.600 -0.030 0.000 1.047 75 K CA 1.307 57.583 56.287 -0.019 0.000 0.942 75 K CB -0.024 32.464 32.500 -0.021 0.000 0.739 75 K HN 0.445 nan 8.250 nan 0.000 0.457 76 E N 0.087 120.271 120.200 -0.027 0.000 2.204 76 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 76 E C 1.901 178.462 176.600 -0.066 0.000 0.989 76 E CA 0.679 57.053 56.400 -0.043 0.000 0.824 76 E CB -0.020 29.667 29.700 -0.023 0.000 0.756 76 E HN 0.098 nan 8.360 nan 0.000 0.477 77 V N 1.581 121.478 119.914 -0.027 0.000 2.223 77 V HA -0.286 3.834 4.120 -0.000 0.000 0.244 77 V C 2.484 178.540 176.094 -0.063 0.000 1.045 77 V CA 2.059 64.353 62.300 -0.009 0.000 1.000 77 V CB -0.967 30.878 31.823 0.037 0.000 0.635 77 V HN 0.269 nan 8.190 nan 0.000 0.445 78 A N 0.686 123.480 122.820 -0.042 0.000 1.908 78 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 78 A C 2.530 180.060 177.584 -0.089 0.000 1.181 78 A CA 2.731 54.738 52.037 -0.049 0.000 0.627 78 A CB -0.878 18.104 19.000 -0.031 0.000 0.818 78 A HN 0.726 nan 8.150 nan 0.000 0.445 79 S N -0.138 115.500 115.700 -0.102 0.000 2.368 79 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 79 S C 1.851 176.335 174.600 -0.194 0.000 1.029 79 S CA 1.452 59.583 58.200 -0.116 0.000 0.988 79 S CB -0.337 62.809 63.200 -0.091 0.000 0.838 79 S HN 0.624 nan 8.310 nan 0.000 0.462 80 K N 1.616 121.819 120.400 -0.329 0.000 2.062 80 K HA 0.190 4.510 4.320 -0.000 0.000 0.205 80 K C 2.548 178.738 176.600 -0.684 0.000 1.051 80 K CA 1.017 56.929 56.287 -0.625 0.000 0.941 80 K CB -0.483 31.369 32.500 -1.081 0.000 0.719 80 K HN 0.470 nan 8.250 nan 0.000 0.440 81 A N 1.691 124.223 122.820 -0.480 0.000 1.972 81 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 81 A C 1.923 179.468 177.584 -0.065 0.000 1.169 81 A CA 1.777 53.736 52.037 -0.129 0.000 0.635 81 A CB -0.566 18.449 19.000 0.025 0.000 0.810 81 A HN 0.255 nan 8.150 nan 0.000 0.446 82 N N 0.444 119.088 118.700 -0.094 0.000 2.080 82 N HA -0.140 4.600 4.740 -0.000 0.000 0.189 82 N C 1.157 176.646 175.510 -0.035 0.000 1.036 82 N CA 1.791 54.811 53.050 -0.050 0.000 0.846 82 N CB -0.304 38.148 38.487 -0.058 0.000 1.015 82 N HN 0.374 nan 8.380 nan 0.000 0.423 83 D N -0.273 120.082 120.400 -0.075 0.000 2.178 83 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 83 D C 1.562 177.854 176.300 -0.013 0.000 0.980 83 D CA 1.207 55.177 54.000 -0.050 0.000 0.842 83 D CB -0.310 40.440 40.800 -0.082 0.000 0.948 83 D HN 0.433 nan 8.370 nan 0.000 0.472 84 A N 0.125 122.940 122.820 -0.007 0.000 1.935 84 A HA 0.321 4.641 4.320 -0.000 0.000 0.214 84 A C 1.978 179.611 177.584 0.081 0.000 1.178 84 A CA 1.513 53.590 52.037 0.067 0.000 0.640 84 A CB 0.162 19.270 19.000 0.181 0.000 0.825 84 A HN 0.218 nan 8.150 nan 0.000 0.447 85 A N -2.810 120.066 122.820 0.094 0.000 2.498 85 A HA 0.468 4.788 4.320 -0.000 0.000 0.238 85 A C 1.594 179.314 177.584 0.226 0.000 1.225 85 A CA 1.041 53.151 52.037 0.122 0.000 0.978 85 A CB -0.327 18.739 19.000 0.109 0.000 1.142 85 A HN 1.807 nan 8.150 nan 0.000 0.552 86 G N -0.290 108.602 108.800 0.154 0.000 2.203 86 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.263 86 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.263 86 G C -0.157 174.734 174.900 -0.014 0.000 1.012 86 G CA 0.953 46.101 45.100 0.080 0.000 0.749 86 G HN 0.836 nan 8.290 nan 0.000 0.512 87 D N -2.949 117.475 120.400 0.040 0.000 2.710 87 D HA 0.553 5.193 4.640 -0.000 0.000 0.276 87 D C 0.855 177.173 176.300 0.030 0.000 1.267 87 D CA 1.159 55.169 54.000 0.016 0.000 0.772 87 D CB 0.264 41.088 40.800 0.040 0.000 1.299 87 D HN 1.344 nan 8.370 nan 0.000 0.421 88 G N 0.220 109.031 108.800 0.019 0.000 2.160 88 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.251 88 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.251 88 G C 0.965 175.878 174.900 0.023 0.000 1.008 88 G CA 1.751 46.867 45.100 0.026 0.000 0.724 88 G HN 0.908 nan 8.290 nan 0.000 0.514 89 T N -3.609 110.950 114.554 0.007 0.000 2.867 89 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 89 T C 2.204 176.906 174.700 0.004 0.000 1.057 89 T CA 2.365 64.465 62.100 0.000 0.000 1.136 89 T CB -0.331 68.527 68.868 -0.018 0.000 0.874 89 T HN 0.285 nan 8.240 nan 0.000 0.466 90 T N 1.823 116.379 114.554 0.002 0.000 2.812 90 T HA -0.034 4.316 4.350 -0.000 0.000 0.264 90 T C 2.226 176.933 174.700 0.010 0.000 1.042 90 T CA 1.632 63.734 62.100 0.003 0.000 1.140 90 T CB -0.796 68.072 68.868 -0.000 0.000 0.870 90 T HN 0.469 nan 8.240 nan 0.000 0.445 91 T N 2.124 116.687 114.554 0.015 0.000 2.746 91 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 91 T C 2.396 177.112 174.700 0.027 0.000 1.039 91 T CA 1.191 63.303 62.100 0.020 0.000 1.142 91 T CB -0.520 68.362 68.868 0.024 0.000 0.866 91 T HN 0.418 nan 8.240 nan 0.000 0.444 92 A N 1.217 124.058 122.820 0.034 0.000 1.902 92 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 92 A C 2.554 180.160 177.584 0.037 0.000 1.181 92 A CA 2.093 54.159 52.037 0.048 0.000 0.623 92 A CB -1.209 17.830 19.000 0.064 0.000 0.818 92 A HN 0.476 nan 8.150 nan 0.000 0.443 93 T N -0.402 114.166 114.554 0.024 0.000 2.777 93 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 93 T C 1.964 176.674 174.700 0.016 0.000 1.040 93 T CA 1.742 63.853 62.100 0.017 0.000 1.141 93 T CB -0.578 68.295 68.868 0.008 0.000 0.868 93 T HN 0.625 nan 8.240 nan 0.000 0.444 94 V N 0.441 120.364 119.914 0.015 0.000 2.667 94 V HA 0.039 4.159 4.120 -0.000 0.000 0.252 94 V C 2.086 178.190 176.094 0.015 0.000 1.065 94 V CA 1.285 63.593 62.300 0.013 0.000 1.083 94 V CB -0.823 31.006 31.823 0.010 0.000 0.692 94 V HN 0.455 nan 8.190 nan 0.000 0.468 95 L N 0.612 121.847 121.223 0.020 0.000 2.072 95 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 95 L C 3.048 179.931 176.870 0.022 0.000 1.079 95 L CA 1.597 56.450 54.840 0.021 0.000 0.752 95 L CB -0.902 41.172 42.059 0.026 0.000 0.906 95 L HN 0.426 nan 8.230 nan 0.000 0.436 96 A N -0.348 122.488 122.820 0.027 0.000 1.883 96 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 96 A C 2.264 179.860 177.584 0.020 0.000 1.186 96 A CA 2.081 54.134 52.037 0.027 0.000 0.624 96 A CB -0.702 18.317 19.000 0.032 0.000 0.822 96 A HN 0.517 nan 8.150 nan 0.000 0.444 97 Q N -0.567 119.243 119.800 0.017 0.000 2.124 97 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 97 Q C 2.132 178.139 176.000 0.012 0.000 0.977 97 Q CA 1.683 57.494 55.803 0.013 0.000 0.850 97 Q CB -0.351 28.393 28.738 0.010 0.000 0.901 97 Q HN 0.599 nan 8.270 nan 0.000 0.429 98 A N 0.720 123.547 122.820 0.012 0.000 1.898 98 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 98 A C 1.974 179.564 177.584 0.010 0.000 1.181 98 A CA 1.302 53.345 52.037 0.010 0.000 0.620 98 A CB -0.545 18.461 19.000 0.010 0.000 0.819 98 A HN 0.477 nan 8.150 nan 0.000 0.442 99 I N -0.452 120.126 120.570 0.012 0.000 2.286 99 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 99 I C 2.265 178.389 176.117 0.012 0.000 1.104 99 I CA 1.127 62.434 61.300 0.012 0.000 1.397 99 I CB -0.327 37.681 38.000 0.013 0.000 1.072 99 I HN 0.272 nan 8.210 nan 0.000 0.417 100 I N 0.383 120.961 120.570 0.013 0.000 2.226 100 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 100 I C 2.571 178.694 176.117 0.011 0.000 1.100 100 I CA 1.530 62.837 61.300 0.013 0.000 1.374 100 I CB -0.602 37.407 38.000 0.015 0.000 1.057 100 I HN 0.239 nan 8.210 nan 0.000 0.413 101 T N 0.207 114.767 114.554 0.010 0.000 2.643 101 T HA -0.157 4.193 4.350 -0.000 0.000 0.264 101 T C 1.826 176.530 174.700 0.007 0.000 1.045 101 T CA 1.303 63.408 62.100 0.008 0.000 1.155 101 T CB -0.165 68.707 68.868 0.007 0.000 0.863 101 T HN 0.278 nan 8.240 nan 0.000 0.420 102 E N 0.600 120.804 120.200 0.007 0.000 2.152 102 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 102 E C 2.487 179.091 176.600 0.006 0.000 0.983 102 E CA 0.853 57.257 56.400 0.006 0.000 0.818 102 E CB -0.744 28.960 29.700 0.006 0.000 0.758 102 E HN 0.566 nan 8.360 nan 0.000 0.467 103 G N 1.349 110.154 108.800 0.008 0.000 2.404 103 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 103 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 103 G C 1.711 176.616 174.900 0.008 0.000 1.174 103 G CA 0.385 45.489 45.100 0.008 0.000 0.780 103 G HN 0.182 nan 8.290 nan 0.000 0.537 104 L N -0.157 121.071 121.223 0.008 0.000 2.201 104 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 104 L C 2.889 179.763 176.870 0.006 0.000 1.105 104 L CA 0.906 55.751 54.840 0.008 0.000 0.775 104 L CB -0.274 41.789 42.059 0.008 0.000 0.913 104 L HN 0.188 nan 8.230 nan 0.000 0.440 105 K N 0.138 120.542 120.400 0.005 0.000 2.057 105 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 105 K C 2.229 178.831 176.600 0.004 0.000 1.049 105 K CA 1.298 57.587 56.287 0.004 0.000 0.931 105 K CB -0.106 32.396 32.500 0.004 0.000 0.714 105 K HN 0.281 nan 8.250 nan 0.000 0.440 106 A N 0.665 123.488 122.820 0.005 0.000 1.930 106 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 106 A C 2.244 179.832 177.584 0.005 0.000 1.175 106 A CA 1.255 53.294 52.037 0.005 0.000 0.627 106 A CB -0.478 18.525 19.000 0.005 0.000 0.815 106 A HN 0.086 nan 8.150 nan 0.000 0.443 107 V N -0.161 119.757 119.914 0.006 0.000 2.358 107 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 107 V C 3.035 179.133 176.094 0.007 0.000 1.047 107 V CA 1.869 64.173 62.300 0.008 0.000 1.035 107 V CB -1.152 30.677 31.823 0.010 0.000 0.658 107 V HN 0.599 nan 8.190 nan 0.000 0.452 108 A N -0.036 122.788 122.820 0.005 0.000 1.972 108 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 108 A C 2.259 179.845 177.584 0.003 0.000 1.169 108 A CA 1.743 53.782 52.037 0.004 0.000 0.635 108 A CB -0.578 18.423 19.000 0.002 0.000 0.810 108 A HN 0.587 nan 8.150 nan 0.000 0.446 109 A N -1.952 120.870 122.820 0.003 0.000 2.235 109 A HA 0.388 4.708 4.320 -0.000 0.000 0.208 109 A C 1.789 179.374 177.584 0.002 0.000 1.172 109 A CA 1.327 53.365 52.037 0.002 0.000 0.786 109 A CB -0.804 18.198 19.000 0.002 0.000 0.804 109 A HN 1.840 nan 8.150 nan 0.000 0.479 110 G N -2.130 106.672 108.800 0.003 0.000 2.179 110 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 110 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 110 G C 0.193 175.096 174.900 0.004 0.000 0.990 110 G CA 0.137 45.239 45.100 0.003 0.000 0.646 110 G HN 0.359 nan 8.290 nan 0.000 0.517 111 M N 0.889 120.491 119.600 0.004 0.000 2.240 111 M HA 0.218 4.698 4.480 -0.000 0.000 0.333 111 M C 0.764 177.068 176.300 0.006 0.000 1.110 111 M CA -0.407 54.895 55.300 0.005 0.000 1.173 111 M CB 0.386 32.989 32.600 0.004 0.000 1.458 111 M HN 0.181 nan 8.290 nan 0.000 0.458 112 N N 2.841 121.544 118.700 0.006 0.000 2.438 112 N HA 0.060 4.800 4.740 -0.000 0.000 0.267 112 N C -2.101 173.413 175.510 0.008 0.000 1.222 112 N CA -1.137 51.917 53.050 0.007 0.000 0.930 112 N CB 1.051 39.542 38.487 0.006 0.000 1.083 112 N HN 0.293 nan 8.380 nan 0.000 0.476 113 P HA -0.159 nan 4.420 nan 0.000 0.215 113 P C 1.707 179.013 177.300 0.010 0.000 1.157 113 P CA 1.477 64.584 63.100 0.011 0.000 0.874 113 P CB 0.188 31.897 31.700 0.014 0.000 0.790 114 M N -0.915 118.691 119.600 0.010 0.000 2.159 114 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 114 M C 1.497 177.801 176.300 0.006 0.000 1.063 114 M CA 1.676 56.981 55.300 0.009 0.000 1.110 114 M CB -1.736 30.870 32.600 0.009 0.000 1.374 114 M HN 0.009 nan 8.290 nan 0.000 0.411 115 D N 0.423 120.826 120.400 0.006 0.000 2.149 115 D HA -0.015 4.625 4.640 -0.000 0.000 0.201 115 D C 2.339 178.641 176.300 0.004 0.000 0.972 115 D CA 0.857 54.860 54.000 0.004 0.000 0.835 115 D CB -0.047 40.755 40.800 0.004 0.000 0.966 115 D HN 0.330 nan 8.370 nan 0.000 0.476 116 L N 0.829 122.055 121.223 0.005 0.000 2.017 116 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 116 L C 2.546 179.419 176.870 0.005 0.000 1.073 116 L CA 1.186 56.029 54.840 0.005 0.000 0.745 116 L CB -0.318 41.745 42.059 0.006 0.000 0.894 116 L HN -0.026 nan 8.230 nan 0.000 0.432 117 K N 0.418 120.821 120.400 0.005 0.000 2.057 117 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 117 K C 2.320 178.922 176.600 0.002 0.000 1.049 117 K CA 1.381 57.671 56.287 0.005 0.000 0.931 117 K CB -0.056 32.448 32.500 0.006 0.000 0.714 117 K HN 0.062 nan 8.250 nan 0.000 0.440 118 R N -0.197 120.305 120.500 0.002 0.000 2.081 118 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 118 R C 2.300 178.600 176.300 -0.001 0.000 1.131 118 R CA 1.819 57.920 56.100 0.000 0.000 0.960 118 R CB -0.591 29.709 30.300 0.001 0.000 0.856 118 R HN 0.414 nan 8.270 nan 0.000 0.436 119 G N 0.639 109.439 108.800 0.001 0.000 2.402 119 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 119 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 119 G C 1.438 176.338 174.900 -0.000 0.000 1.162 119 G CA 0.800 45.901 45.100 0.000 0.000 0.777 119 G HN 0.270 nan 8.290 nan 0.000 0.539 120 I N 0.987 121.557 120.570 0.000 0.000 2.226 120 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 120 I C 2.254 178.368 176.117 -0.005 0.000 1.100 120 I CA 1.166 62.465 61.300 -0.001 0.000 1.374 120 I CB -0.155 37.846 38.000 0.001 0.000 1.057 120 I HN 0.039 nan 8.210 nan 0.000 0.413 121 D N 0.784 121.181 120.400 -0.006 0.000 2.144 121 D HA -0.214 4.426 4.640 -0.000 0.000 0.199 121 D C 2.072 178.365 176.300 -0.011 0.000 0.984 121 D CA 1.199 55.193 54.000 -0.011 0.000 0.834 121 D CB -0.179 40.615 40.800 -0.010 0.000 0.955 121 D HN 0.304 nan 8.370 nan 0.000 0.465 122 K N 0.663 121.059 120.400 -0.007 0.000 2.057 122 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 122 K C 2.044 178.640 176.600 -0.007 0.000 1.050 122 K CA 1.137 57.420 56.287 -0.007 0.000 0.935 122 K CB -0.005 32.492 32.500 -0.004 0.000 0.715 122 K HN -0.002 nan 8.250 nan 0.000 0.439 123 A N 0.713 123.530 122.820 -0.005 0.000 1.883 123 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 123 A C 2.243 179.823 177.584 -0.007 0.000 1.186 123 A CA 1.779 53.813 52.037 -0.004 0.000 0.624 123 A CB -0.747 18.252 19.000 -0.001 0.000 0.822 123 A HN 0.183 nan 8.150 nan 0.000 0.444 124 V N -0.414 119.494 119.914 -0.011 0.000 2.343 124 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 124 V C 2.751 178.833 176.094 -0.020 0.000 1.051 124 V CA 2.457 64.747 62.300 -0.017 0.000 1.036 124 V CB -1.194 30.614 31.823 -0.025 0.000 0.654 124 V HN 0.617 nan 8.190 nan 0.000 0.451 125 T N 0.009 114.552 114.554 -0.020 0.000 2.720 125 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 125 T C 1.884 176.576 174.700 -0.014 0.000 1.037 125 T CA 1.805 63.894 62.100 -0.019 0.000 1.144 125 T CB -0.206 68.653 68.868 -0.017 0.000 0.864 125 T HN 0.306 nan 8.240 nan 0.000 0.444 126 V N 1.375 121.284 119.914 -0.009 0.000 2.453 126 V HA -0.039 4.081 4.120 -0.000 0.000 0.247 126 V C 2.824 178.915 176.094 -0.005 0.000 1.048 126 V CA 1.331 63.628 62.300 -0.006 0.000 1.049 126 V CB -1.108 30.713 31.823 -0.003 0.000 0.672 126 V HN 0.499 nan 8.190 nan 0.000 0.457 127 A N 0.037 122.854 122.820 -0.005 0.000 1.933 127 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 127 A C 2.382 179.963 177.584 -0.004 0.000 1.175 127 A CA 2.044 54.079 52.037 -0.003 0.000 0.628 127 A CB -0.636 18.362 19.000 -0.003 0.000 0.814 127 A HN 0.337 nan 8.150 nan 0.000 0.444 128 V N 0.101 120.009 119.914 -0.011 0.000 2.427 128 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 128 V C 2.372 178.461 176.094 -0.008 0.000 1.051 128 V CA 2.265 64.557 62.300 -0.013 0.000 1.048 128 V CB -0.838 30.971 31.823 -0.024 0.000 0.666 128 V HN 0.658 nan 8.190 nan 0.000 0.456 129 E N -0.076 120.120 120.200 -0.007 0.000 2.072 129 E HA -0.265 4.085 4.350 -0.000 0.000 0.191 129 E C 2.234 178.833 176.600 -0.001 0.000 0.985 129 E CA 1.344 57.741 56.400 -0.004 0.000 0.801 129 E CB -0.134 29.563 29.700 -0.004 0.000 0.750 129 E HN 0.521 nan 8.360 nan 0.000 0.452 130 E N 0.887 121.087 120.200 0.001 0.000 2.150 130 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 130 E C 1.804 178.407 176.600 0.006 0.000 0.985 130 E CA 0.493 56.895 56.400 0.004 0.000 0.814 130 E CB -0.117 29.586 29.700 0.005 0.000 0.752 130 E HN 0.088 nan 8.360 nan 0.000 0.466 131 L N 0.798 122.024 121.223 0.005 0.000 2.083 131 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 131 L C 1.853 178.726 176.870 0.006 0.000 1.083 131 L CA 1.798 56.642 54.840 0.007 0.000 0.752 131 L CB -0.329 41.733 42.059 0.004 0.000 0.899 131 L HN 0.051 nan 8.230 nan 0.000 0.433 132 K N -1.191 119.211 120.400 0.004 0.000 2.097 132 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 132 K C 2.060 178.663 176.600 0.005 0.000 1.050 132 K CA 1.146 57.435 56.287 0.004 0.000 0.938 132 K CB -0.281 32.219 32.500 0.001 0.000 0.718 132 K HN 0.374 nan 8.250 nan 0.000 0.442 133 A N 1.358 124.182 122.820 0.006 0.000 1.930 133 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 133 A C 2.041 179.630 177.584 0.009 0.000 1.175 133 A CA 1.172 53.213 52.037 0.007 0.000 0.627 133 A CB -0.500 18.504 19.000 0.007 0.000 0.815 133 A HN 0.149 nan 8.150 nan 0.000 0.443 134 L N -0.505 120.725 121.223 0.011 0.000 2.240 134 L HA 0.018 4.358 4.340 -0.000 0.000 0.211 134 L C 1.417 178.295 176.870 0.014 0.000 1.106 134 L CA 0.181 55.029 54.840 0.014 0.000 0.793 134 L CB -0.401 41.668 42.059 0.017 0.000 0.927 134 L HN 0.313 nan 8.230 nan 0.000 0.446 135 S N 0.444 116.151 115.700 0.011 0.000 2.544 135 S HA 0.085 4.555 4.470 -0.000 0.000 0.290 135 S C -0.075 174.531 174.600 0.010 0.000 1.276 135 S CA -0.409 57.797 58.200 0.011 0.000 1.075 135 S CB 0.398 63.603 63.200 0.008 0.000 0.849 135 S HN -0.021 nan 8.310 nan 0.000 0.494 136 V N 9.161 129.081 119.914 0.011 0.000 2.432 136 V HA 0.334 4.454 4.120 -0.000 0.000 0.275 136 V C -1.953 174.145 176.094 0.008 0.000 1.043 136 V CA -1.829 60.477 62.300 0.010 0.000 0.925 136 V CB 1.157 32.987 31.823 0.011 0.000 0.985 136 V HN 0.753 nan 8.190 nan 0.000 0.466 137 P HA 0.105 nan 4.420 nan 0.000 0.269 137 P C -0.580 176.722 177.300 0.004 0.000 1.215 137 P CA -0.203 62.900 63.100 0.005 0.000 0.780 137 P CB 0.436 32.139 31.700 0.004 0.000 0.898 138 C N 2.596 121.898 119.300 0.002 0.000 3.002 138 C HA 0.405 4.865 4.460 -0.000 0.000 0.248 138 C C 1.107 176.097 174.990 -0.000 0.000 1.153 138 C CA 0.109 59.128 59.018 0.002 0.000 1.502 138 C CB -1.495 26.245 27.740 0.001 0.000 1.805 138 C HN 0.555 nan 8.230 nan 0.000 0.450 139 S N 1.448 117.148 115.700 0.001 0.000 2.564 139 S HA 0.118 4.588 4.470 -0.000 0.000 0.231 139 S C 0.168 174.768 174.600 -0.000 0.000 1.067 139 S CA 0.004 58.203 58.200 -0.000 0.000 0.908 139 S CB 0.089 63.289 63.200 0.001 0.000 0.809 139 S HN 0.941 nan 8.310 nan 0.000 0.491 140 D N 1.093 121.493 120.400 0.001 0.000 2.340 140 D HA 0.399 5.039 4.640 -0.000 0.000 0.251 140 D C 1.077 177.377 176.300 0.001 0.000 1.080 140 D CA -0.157 53.844 54.000 0.001 0.000 0.971 140 D CB 0.795 41.596 40.800 0.002 0.000 1.137 140 D HN 0.037 nan 8.370 nan 0.000 0.475 141 S N 0.283 115.984 115.700 0.001 0.000 2.440 141 S HA -0.302 4.168 4.470 -0.000 0.000 0.238 141 S C 1.621 176.222 174.600 0.001 0.000 1.010 141 S CA 1.012 59.212 58.200 0.001 0.000 0.972 141 S CB -0.445 62.755 63.200 0.001 0.000 0.774 141 S HN 0.591 nan 8.310 nan 0.000 0.501 142 K N 1.530 121.931 120.400 0.002 0.000 2.062 142 K HA 0.082 4.402 4.320 -0.000 0.000 0.205 142 K C 2.361 178.963 176.600 0.002 0.000 1.051 142 K CA 1.010 57.298 56.287 0.002 0.000 0.941 142 K CB -0.607 31.894 32.500 0.002 0.000 0.719 142 K HN 0.423 nan 8.250 nan 0.000 0.440 143 A N 1.476 124.298 122.820 0.003 0.000 1.902 143 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 143 A C 2.081 179.667 177.584 0.003 0.000 1.181 143 A CA 1.350 53.389 52.037 0.003 0.000 0.623 143 A CB -0.565 18.437 19.000 0.003 0.000 0.818 143 A HN 0.340 nan 8.150 nan 0.000 0.443 144 I N -0.215 120.356 120.570 0.002 0.000 2.163 144 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 144 I C 2.978 179.097 176.117 0.002 0.000 1.085 144 I CA 1.145 62.446 61.300 0.001 0.000 1.347 144 I CB -0.352 37.648 38.000 -0.000 0.000 1.044 144 I HN 0.370 nan 8.210 nan 0.000 0.408 145 A N 0.022 122.843 122.820 0.002 0.000 1.902 145 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 145 A C 2.255 179.841 177.584 0.003 0.000 1.181 145 A CA 1.555 53.594 52.037 0.003 0.000 0.623 145 A CB -0.592 18.409 19.000 0.002 0.000 0.818 145 A HN 0.460 nan 8.150 nan 0.000 0.443 146 Q N -0.608 119.194 119.800 0.003 0.000 2.020 146 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 146 Q C 2.192 178.195 176.000 0.004 0.000 0.982 146 Q CA 1.804 57.609 55.803 0.003 0.000 0.838 146 Q CB -0.353 28.387 28.738 0.004 0.000 0.899 146 Q HN 0.480 nan 8.270 nan 0.000 0.423 147 V N 0.320 120.237 119.914 0.005 0.000 2.343 147 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 147 V C 2.204 178.303 176.094 0.008 0.000 1.051 147 V CA 2.004 64.308 62.300 0.007 0.000 1.036 147 V CB -1.179 30.648 31.823 0.007 0.000 0.654 147 V HN 0.569 nan 8.190 nan 0.000 0.451 148 G N -0.638 108.167 108.800 0.008 0.000 2.418 148 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 148 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 148 G C 1.698 176.603 174.900 0.008 0.000 1.158 148 G CA 1.554 46.660 45.100 0.009 0.000 0.771 148 G HN 0.464 nan 8.290 nan 0.000 0.545 149 T N 1.370 115.927 114.554 0.005 0.000 2.684 149 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 149 T C 2.383 177.084 174.700 0.002 0.000 1.036 149 T CA 1.075 63.177 62.100 0.003 0.000 1.148 149 T CB -0.182 68.687 68.868 0.002 0.000 0.863 149 T HN 0.251 nan 8.240 nan 0.000 0.436 150 I N 1.179 121.750 120.570 0.002 0.000 2.286 150 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 150 I C 2.384 178.503 176.117 0.003 0.000 1.115 150 I CA 1.016 62.316 61.300 0.001 0.000 1.392 150 I CB -0.296 37.705 38.000 0.001 0.000 1.065 150 I HN 0.176 nan 8.210 nan 0.000 0.418 151 S N 0.521 116.226 115.700 0.008 0.000 2.522 151 S HA 0.103 4.573 4.470 -0.000 0.000 0.227 151 S C 1.518 176.123 174.600 0.009 0.000 0.986 151 S CA 0.766 58.973 58.200 0.012 0.000 0.929 151 S CB 0.025 63.238 63.200 0.022 0.000 0.769 151 S HN 0.486 nan 8.310 nan 0.000 0.529 152 A N 1.520 124.344 122.820 0.006 0.000 2.610 152 A HA 0.468 4.788 4.320 -0.000 0.000 0.286 152 A C 0.611 178.194 177.584 -0.000 0.000 1.306 152 A CA -0.431 51.608 52.037 0.004 0.000 0.942 152 A CB -0.585 18.418 19.000 0.005 0.000 1.112 152 A HN 0.357 nan 8.150 nan 0.000 0.527 153 N N -0.300 118.398 118.700 -0.003 0.000 2.758 153 N HA -0.226 4.514 4.740 -0.000 0.000 0.248 153 N C 0.239 175.746 175.510 -0.006 0.000 1.076 153 N CA 1.131 54.178 53.050 -0.006 0.000 0.696 153 N CB -1.846 36.637 38.487 -0.007 0.000 0.979 153 N HN 0.543 nan 8.380 nan 0.000 0.550 154 S N -1.796 113.901 115.700 -0.005 0.000 3.361 154 S HA -0.227 4.243 4.470 -0.000 0.000 0.288 154 S C -0.358 174.240 174.600 -0.003 0.000 1.269 154 S CA 0.781 58.978 58.200 -0.004 0.000 0.976 154 S CB -1.084 62.112 63.200 -0.007 0.000 1.162 154 S HN 0.740 nan 8.310 nan 0.000 0.643 155 D N 1.597 121.996 120.400 -0.002 0.000 2.453 155 D HA 0.239 4.879 4.640 -0.000 0.000 0.223 155 D C 1.112 177.412 176.300 0.000 0.000 1.183 155 D CA -0.181 53.818 54.000 -0.001 0.000 0.933 155 D CB 0.383 41.182 40.800 -0.000 0.000 1.038 155 D HN 0.475 nan 8.370 nan 0.000 0.513 156 E N 1.109 121.309 120.200 -0.000 0.000 2.267 156 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 156 E C 1.355 177.956 176.600 0.001 0.000 0.998 156 E CA 0.991 57.392 56.400 0.001 0.000 0.830 156 E CB 0.298 29.998 29.700 0.000 0.000 0.751 156 E HN 0.462 nan 8.360 nan 0.000 0.491 157 T N 0.667 115.221 114.554 0.001 0.000 2.674 157 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 157 T C 2.094 176.795 174.700 0.002 0.000 1.039 157 T CA 1.167 63.268 62.100 0.001 0.000 1.150 157 T CB -0.176 68.693 68.868 0.001 0.000 0.864 157 T HN 0.009 nan 8.240 nan 0.000 0.427 158 V N 1.398 121.314 119.914 0.003 0.000 2.490 158 V HA -0.105 4.015 4.120 -0.000 0.000 0.250 158 V C 2.796 178.893 176.094 0.005 0.000 1.061 158 V CA 1.860 64.163 62.300 0.004 0.000 1.064 158 V CB -1.359 30.467 31.823 0.005 0.000 0.670 158 V HN 0.601 nan 8.190 nan 0.000 0.461 159 G N -0.195 108.608 108.800 0.004 0.000 2.404 159 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 159 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 159 G C 1.622 176.524 174.900 0.003 0.000 1.174 159 G CA 1.010 46.112 45.100 0.004 0.000 0.780 159 G HN 0.506 nan 8.290 nan 0.000 0.537 160 K N 0.028 120.429 120.400 0.002 0.000 2.057 160 K HA 0.043 4.363 4.320 -0.000 0.000 0.207 160 K C 2.486 179.087 176.600 0.002 0.000 1.049 160 K CA 0.798 57.086 56.287 0.002 0.000 0.931 160 K CB -0.284 32.217 32.500 0.001 0.000 0.714 160 K HN 0.327 nan 8.250 nan 0.000 0.440 161 L N 0.895 122.119 121.223 0.003 0.000 1.989 161 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 161 L C 2.451 179.323 176.870 0.003 0.000 1.071 161 L CA 1.448 56.289 54.840 0.003 0.000 0.749 161 L CB -0.329 41.732 42.059 0.003 0.000 0.890 161 L HN 0.273 nan 8.230 nan 0.000 0.431 162 I N -0.557 120.015 120.570 0.004 0.000 2.226 162 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 162 I C 2.748 178.866 176.117 0.001 0.000 1.100 162 I CA 1.083 62.385 61.300 0.003 0.000 1.374 162 I CB -0.462 37.541 38.000 0.005 0.000 1.057 162 I HN 0.211 nan 8.210 nan 0.000 0.413 163 A N 0.617 123.438 122.820 0.002 0.000 1.902 163 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 163 A C 2.215 179.799 177.584 0.000 0.000 1.181 163 A CA 1.689 53.727 52.037 0.001 0.000 0.623 163 A CB -0.543 18.458 19.000 0.001 0.000 0.818 163 A HN 0.461 nan 8.150 nan 0.000 0.443 164 E N -0.220 119.980 120.200 0.001 0.000 2.072 164 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 164 E C 2.328 178.928 176.600 0.000 0.000 0.985 164 E CA 0.854 57.255 56.400 0.001 0.000 0.801 164 E CB -0.293 29.408 29.700 0.001 0.000 0.750 164 E HN 0.615 nan 8.360 nan 0.000 0.452 165 A N 1.394 124.215 122.820 0.000 0.000 1.902 165 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 165 A C 2.180 179.764 177.584 -0.001 0.000 1.181 165 A CA 1.346 53.383 52.037 0.000 0.000 0.623 165 A CB -0.440 18.561 19.000 0.001 0.000 0.818 165 A HN 0.129 nan 8.150 nan 0.000 0.443 166 M N -1.025 118.574 119.600 -0.002 0.000 2.296 166 M HA -0.116 4.364 4.480 -0.000 0.000 0.265 166 M C 1.636 177.935 176.300 -0.002 0.000 1.064 166 M CA 1.684 56.983 55.300 -0.003 0.000 1.109 166 M CB -0.457 32.140 32.600 -0.004 0.000 1.396 166 M HN 0.483 nan 8.290 nan 0.000 0.430 167 D N 0.456 120.855 120.400 -0.001 0.000 2.312 167 D HA -0.094 4.546 4.640 -0.000 0.000 0.211 167 D C 2.004 178.303 176.300 -0.001 0.000 0.964 167 D CA 0.930 54.930 54.000 -0.001 0.000 0.877 167 D CB 0.375 41.175 40.800 -0.000 0.000 0.924 167 D HN 0.023 nan 8.370 nan 0.000 0.515 168 K N -0.265 120.135 120.400 -0.001 0.000 2.078 168 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 168 K C 1.853 178.453 176.600 -0.000 0.000 1.043 168 K CA 1.067 57.354 56.287 -0.000 0.000 0.960 168 K CB -0.233 32.267 32.500 0.000 0.000 0.761 168 K HN 0.226 nan 8.250 nan 0.000 0.448 169 V N -2.133 117.780 119.914 -0.001 0.000 3.542 169 V HA 0.401 4.521 4.120 -0.000 0.000 0.296 169 V C 0.509 176.602 176.094 -0.001 0.000 1.364 169 V CA 0.106 62.406 62.300 -0.000 0.000 1.118 169 V CB -0.502 31.321 31.823 0.000 0.000 0.972 169 V HN 0.373 nan 8.190 nan 0.000 0.430 170 G N 2.112 110.911 108.800 -0.002 0.000 2.705 170 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.686 170 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.686 170 G C 0.155 175.053 174.900 -0.005 0.000 1.285 170 G CA -0.104 44.994 45.100 -0.003 0.000 0.800 170 G HN 0.716 nan 8.290 nan 0.000 0.611 171 K N -0.205 120.192 120.400 -0.006 0.000 2.515 171 K HA 0.057 4.377 4.320 -0.000 0.000 0.196 171 K C 0.966 177.559 176.600 -0.012 0.000 1.038 171 K CA 1.523 57.805 56.287 -0.008 0.000 0.967 171 K CB 0.336 32.831 32.500 -0.008 0.000 0.780 171 K HN 0.415 nan 8.250 nan 0.000 0.483 172 E N 1.249 121.443 120.200 -0.009 0.000 2.498 172 E HA 0.090 4.440 4.350 -0.000 0.000 0.203 172 E C 0.786 177.381 176.600 -0.008 0.000 1.013 172 E CA 0.060 56.454 56.400 -0.010 0.000 0.927 172 E CB 0.799 30.496 29.700 -0.006 0.000 1.012 172 E HN 0.412 nan 8.360 nan 0.000 0.482 173 G N 0.939 109.735 108.800 -0.006 0.000 2.634 173 G HA2 0.271 4.231 3.960 -0.000 0.000 0.255 173 G HA3 0.271 4.231 3.960 -0.000 0.000 0.255 173 G C 0.139 175.036 174.900 -0.005 0.000 1.205 173 G CA -0.469 44.629 45.100 -0.003 0.000 0.884 173 G HN -0.057 nan 8.290 nan 0.000 0.549 174 V N 0.840 120.754 119.914 -0.001 0.000 2.530 174 V HA 0.351 4.471 4.120 -0.000 0.000 0.282 174 V C 0.311 176.404 176.094 -0.002 0.000 1.048 174 V CA 0.163 62.462 62.300 -0.002 0.000 0.997 174 V CB 0.580 32.405 31.823 0.004 0.000 0.987 174 V HN 0.432 nan 8.190 nan 0.000 0.477 175 I N 3.930 124.497 120.570 -0.004 0.000 2.533 175 I HA 0.544 4.714 4.170 -0.000 0.000 0.290 175 I C -0.241 175.876 176.117 0.001 0.000 1.056 175 I CA -0.220 61.080 61.300 -0.001 0.000 1.057 175 I CB 2.549 40.547 38.000 -0.002 0.000 1.240 175 I HN 0.562 nan 8.210 nan 0.000 0.423 176 T N 4.443 118.999 114.554 0.003 0.000 2.906 176 T HA 0.610 4.960 4.350 -0.000 0.000 0.295 176 T C -0.645 174.058 174.700 0.006 0.000 1.061 176 T CA -0.693 61.410 62.100 0.005 0.000 1.000 176 T CB 2.530 71.399 68.868 0.002 0.000 1.103 176 T HN 0.443 nan 8.240 nan 0.000 0.486 177 V N -0.458 119.461 119.914 0.007 0.000 2.604 177 V HA 0.849 4.969 4.120 -0.000 0.000 0.305 177 V C -0.868 175.229 176.094 0.005 0.000 1.043 177 V CA -0.732 61.572 62.300 0.007 0.000 0.888 177 V CB 1.646 33.474 31.823 0.009 0.000 0.995 177 V HN 0.943 nan 8.190 nan 0.000 0.429 178 E N 1.945 122.147 120.200 0.003 0.000 2.392 178 E HA 0.415 4.765 4.350 -0.000 0.000 0.269 178 E C -1.475 175.125 176.600 0.001 0.000 0.924 178 E CA -1.042 55.359 56.400 0.002 0.000 0.784 178 E CB 1.829 31.529 29.700 -0.000 0.000 1.292 178 E HN 0.787 nan 8.360 nan 0.000 0.447 179 D N 0.947 121.347 120.400 0.000 0.000 2.423 179 D HA 0.123 4.763 4.640 -0.000 0.000 0.238 179 D C 0.173 176.473 176.300 -0.001 0.000 1.142 179 D CA 0.437 54.437 54.000 -0.000 0.000 0.884 179 D CB 0.934 41.734 40.800 -0.001 0.000 1.199 179 D HN 0.487 nan 8.370 nan 0.000 0.438 180 G N -0.341 108.459 108.800 -0.001 0.000 2.562 180 G HA2 0.247 4.207 3.960 -0.000 0.000 0.275 180 G HA3 0.247 4.207 3.960 -0.000 0.000 0.275 180 G C 1.071 175.971 174.900 -0.001 0.000 1.196 180 G CA -0.260 44.840 45.100 -0.001 0.000 0.908 180 G HN 0.446 nan 8.290 nan 0.000 0.524 181 T N -2.959 111.594 114.554 -0.001 0.000 3.088 181 T HA 0.411 4.761 4.350 -0.000 0.000 0.259 181 T C 1.083 175.782 174.700 -0.002 0.000 1.122 181 T CA 0.722 62.821 62.100 -0.002 0.000 1.095 181 T CB -0.084 68.783 68.868 -0.002 0.000 0.930 181 T HN 2.105 nan 8.240 nan 0.000 0.508 182 G N 1.556 110.355 108.800 -0.001 0.000 3.305 182 G HA2 0.325 4.285 3.960 -0.000 0.000 0.649 182 G HA3 0.325 4.285 3.960 -0.000 0.000 0.649 182 G C -0.787 174.112 174.900 -0.001 0.000 1.255 182 G CA -0.708 44.392 45.100 -0.001 0.000 1.137 182 G HN 0.787 nan 8.290 nan 0.000 0.535 183 L N 1.010 122.233 121.223 -0.001 0.000 1.435 183 L HA -0.158 4.182 4.340 -0.000 0.000 0.394 183 L C 0.291 177.161 176.870 -0.001 0.000 1.004 183 L CA 2.269 57.109 54.840 -0.001 0.000 1.225 183 L CB -0.743 41.316 42.059 -0.001 0.000 0.571 183 L HN 2.007 nan 8.230 nan 0.000 0.324 184 Q N 2.191 121.991 119.800 -0.000 0.000 3.149 184 Q HA -0.081 4.259 4.340 -0.000 0.000 0.055 184 Q C -0.613 175.387 176.000 -0.000 0.000 1.662 184 Q CA 0.897 56.700 55.803 -0.000 0.000 0.281 184 Q CB -0.094 28.644 28.738 -0.000 0.000 0.584 184 Q HN 0.683 nan 8.270 nan 0.000 0.322 185 D N 2.636 123.036 120.400 0.000 0.000 2.344 185 D HA 0.265 4.905 4.640 -0.000 0.000 0.244 185 D C -0.059 176.242 176.300 0.000 0.000 1.134 185 D CA 0.179 54.179 54.000 0.000 0.000 0.930 185 D CB 0.774 41.575 40.800 0.001 0.000 1.175 185 D HN 0.316 nan 8.370 nan 0.000 0.437 186 E N 0.060 120.260 120.200 0.000 0.000 2.256 186 E HA 0.446 4.796 4.350 -0.000 0.000 0.268 186 E C -1.188 175.412 176.600 0.000 0.000 0.877 186 E CA -0.843 55.557 56.400 0.000 0.000 0.757 186 E CB 2.405 32.105 29.700 -0.000 0.000 1.183 186 E HN 0.070 nan 8.360 nan 0.000 0.418 187 L N 4.247 125.471 121.223 0.000 0.000 2.372 187 L HA 0.470 4.810 4.340 -0.000 0.000 0.274 187 L C -1.777 175.093 176.870 0.000 0.000 0.988 187 L CA -0.254 54.586 54.840 0.001 0.000 0.833 187 L CB 1.207 43.267 42.059 0.001 0.000 1.236 187 L HN 0.527 nan 8.230 nan 0.000 0.410 188 D N 4.051 124.451 120.400 0.000 0.000 2.753 188 D HA 0.376 5.016 4.640 -0.000 0.000 0.224 188 D C -1.218 175.083 176.300 0.001 0.000 1.213 188 D CA -0.465 53.536 54.000 0.000 0.000 0.833 188 D CB 2.169 42.969 40.800 -0.000 0.000 1.607 188 D HN 0.259 nan 8.370 nan 0.000 0.463 189 V N 0.826 120.740 119.914 0.001 0.000 2.439 189 V HA 0.467 4.587 4.120 -0.000 0.000 0.282 189 V C 0.711 176.806 176.094 0.002 0.000 1.039 189 V CA -0.636 61.665 62.300 0.002 0.000 0.913 189 V CB 1.093 32.917 31.823 0.002 0.000 0.983 189 V HN 0.596 nan 8.190 nan 0.000 0.460 190 V N 1.588 121.503 119.914 0.003 0.000 3.113 190 V HA 0.680 4.800 4.120 -0.000 0.000 0.316 190 V C -0.186 175.911 176.094 0.005 0.000 1.125 190 V CA -0.984 61.318 62.300 0.003 0.000 1.026 190 V CB 2.155 33.980 31.823 0.002 0.000 1.080 190 V HN 0.696 nan 8.190 nan 0.000 0.444 191 E N 1.780 121.984 120.200 0.006 0.000 2.220 191 E HA 0.552 4.902 4.350 -0.000 0.000 0.272 191 E C 0.199 176.807 176.600 0.013 0.000 1.099 191 E CA 0.797 57.202 56.400 0.008 0.000 0.907 191 E CB 0.712 30.416 29.700 0.007 0.000 1.022 191 E HN 1.129 nan 8.360 nan 0.000 0.428 192 G N 1.798 110.609 108.800 0.018 0.000 2.649 192 G HA2 0.662 4.622 3.960 -0.000 0.000 0.290 192 G HA3 0.662 4.622 3.960 -0.000 0.000 0.290 192 G C -1.174 173.750 174.900 0.039 0.000 1.426 192 G CA -0.616 44.501 45.100 0.028 0.000 0.794 192 G HN 0.384 nan 8.290 nan 0.000 0.483 193 M N -0.226 119.411 119.600 0.062 0.000 2.603 193 M HA 0.594 5.074 4.480 -0.000 0.000 0.275 193 M C -2.236 174.139 176.300 0.126 0.000 1.226 193 M CA -0.685 54.669 55.300 0.089 0.000 0.870 193 M CB 2.589 35.248 32.600 0.099 0.000 1.716 193 M HN 0.624 nan 8.290 nan 0.000 0.482 194 Q N 3.153 123.034 119.800 0.136 0.000 2.285 194 Q HA 0.599 4.939 4.340 -0.000 0.000 0.269 194 Q C -2.169 173.940 176.000 0.183 0.000 1.030 194 Q CA -0.612 55.248 55.803 0.094 0.000 0.788 194 Q CB 2.006 30.750 28.738 0.009 0.000 1.266 194 Q HN 0.588 nan 8.270 nan 0.000 0.438 195 F N -0.066 119.879 119.950 -0.009 0.000 2.611 195 F HA 0.544 5.071 4.527 0.000 0.000 0.324 195 F C -0.385 175.409 175.800 -0.011 0.000 1.061 195 F CA -1.310 56.686 58.000 -0.007 0.000 0.954 195 F CB 0.956 39.955 39.000 -0.003 0.000 1.301 195 F HN 0.273 nan 8.300 nan 0.000 0.482 196 D N 3.023 123.496 120.400 0.122 0.000 2.608 196 D HA 0.199 4.839 4.640 -0.000 0.000 0.224 196 D C -0.311 175.998 176.300 0.016 0.000 1.123 196 D CA 0.276 54.285 54.000 0.014 0.000 1.030 196 D CB -0.095 40.731 40.800 0.044 0.000 1.093 196 D HN 0.298 nan 8.370 nan 0.000 0.497 197 R N 0.431 120.857 120.500 -0.122 0.000 2.515 197 R HA 0.463 4.803 4.340 -0.000 0.000 0.278 197 R C 0.174 176.345 176.300 -0.215 0.000 1.107 197 R CA -0.687 55.367 56.100 -0.076 0.000 0.945 197 R CB 1.921 32.299 30.300 0.130 0.000 1.219 197 R HN 0.251 nan 8.270 nan 0.000 0.434 198 G N 1.119 109.797 108.800 -0.204 0.000 2.613 198 G HA2 0.451 4.411 3.960 -0.000 0.000 0.303 198 G HA3 0.451 4.411 3.960 -0.000 0.000 0.303 198 G C -0.590 174.172 174.900 -0.231 0.000 1.312 198 G CA -0.556 44.341 45.100 -0.339 0.000 1.036 198 G HN 0.432 nan 8.290 nan 0.000 0.513 199 Y N -1.235 119.067 120.300 0.005 0.000 2.683 199 Y HA 0.247 4.797 4.550 -0.000 0.000 0.340 199 Y C 1.124 177.099 175.900 0.126 0.000 1.245 199 Y CA -1.018 57.117 58.100 0.059 0.000 1.485 199 Y CB 0.291 38.849 38.460 0.164 0.000 1.328 199 Y HN 0.173 nan 8.280 nan 0.000 0.603 200 L N 2.746 124.205 121.223 0.393 0.000 2.675 200 L HA 0.109 4.449 4.340 -0.000 0.000 0.239 200 L C 0.060 177.181 176.870 0.418 0.000 1.151 200 L CA 0.768 55.814 54.840 0.344 0.000 0.905 200 L CB -1.004 41.217 42.059 0.271 0.000 1.057 200 L HN 0.919 nan 8.230 nan 0.000 0.435 201 S N -3.862 112.160 115.700 0.536 0.000 2.785 201 S HA 0.218 4.688 4.470 -0.000 0.000 0.286 201 S C -2.964 171.620 174.600 -0.028 0.000 0.918 201 S CA -1.224 57.127 58.200 0.253 0.000 0.866 201 S CB 0.735 64.020 63.200 0.141 0.000 1.087 201 S HN -0.245 nan 8.310 nan 0.000 0.472 202 P HA 0.400 nan 4.420 nan 0.000 0.330 202 P C 0.400 177.365 177.300 -0.558 0.000 1.377 202 P CA 0.616 63.270 63.100 -0.743 0.000 0.793 202 P CB -0.127 31.148 31.700 -0.708 0.000 1.813 203 Y N -4.858 115.235 120.300 -0.345 0.000 2.818 203 Y HA -0.303 4.247 4.550 -0.000 0.000 0.487 203 Y C 1.888 177.639 175.900 -0.248 0.000 1.146 203 Y CA 1.490 59.404 58.100 -0.310 0.000 2.839 203 Y CB -3.093 35.120 38.460 -0.411 0.000 0.893 203 Y HN 0.102 nan 8.280 nan 0.000 0.545 204 F N 0.583 120.518 119.950 -0.025 0.000 2.307 204 F HA -0.069 4.458 4.527 -0.000 0.000 0.301 204 F C 1.479 177.234 175.800 -0.076 0.000 1.076 204 F CA 0.794 58.774 58.000 -0.033 0.000 1.383 204 F CB -0.592 38.394 39.000 -0.023 0.000 1.055 204 F HN -0.003 nan 8.300 nan 0.000 0.526 205 I N 2.623 123.175 120.570 -0.029 0.000 2.792 205 I HA -0.161 4.009 4.170 -0.000 0.000 0.284 205 I C 0.830 176.950 176.117 0.005 0.000 1.166 205 I CA 0.248 61.515 61.300 -0.054 0.000 1.375 205 I CB -0.121 37.775 38.000 -0.173 0.000 1.421 205 I HN 0.196 nan 8.210 nan 0.000 0.544 206 N N 5.344 124.068 118.700 0.039 0.000 2.299 206 N HA -0.002 4.738 4.740 -0.000 0.000 0.187 206 N C 0.059 175.583 175.510 0.023 0.000 1.099 206 N CA 0.171 53.243 53.050 0.036 0.000 0.867 206 N CB 0.329 38.845 38.487 0.049 0.000 0.974 206 N HN 0.448 nan 8.380 nan 0.000 0.477 207 K N 1.015 121.427 120.400 0.020 0.000 2.753 207 K HA 0.238 4.558 4.320 -0.000 0.000 0.185 207 K C -2.126 174.479 176.600 0.009 0.000 1.071 207 K CA -1.664 54.632 56.287 0.015 0.000 0.999 207 K CB 2.051 34.563 32.500 0.020 0.000 1.244 207 K HN 0.006 nan 8.250 nan 0.000 0.594 208 P HA -0.174 nan 4.420 nan 0.000 0.226 208 P C 0.277 177.574 177.300 -0.006 0.000 1.146 208 P CA 1.142 64.236 63.100 -0.010 0.000 0.773 208 P CB 0.505 32.195 31.700 -0.016 0.000 0.772 209 E N -0.160 120.038 120.200 -0.002 0.000 2.110 209 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 209 E C 1.630 178.227 176.600 -0.006 0.000 0.988 209 E CA 1.707 58.104 56.400 -0.005 0.000 0.804 209 E CB -1.029 28.669 29.700 -0.003 0.000 0.745 209 E HN 0.264 nan 8.360 nan 0.000 0.458 210 T N -1.454 113.102 114.554 0.004 0.000 3.054 210 T HA 0.274 4.624 4.350 -0.000 0.000 0.255 210 T C 1.088 175.804 174.700 0.027 0.000 1.035 210 T CA 0.286 62.391 62.100 0.009 0.000 0.941 210 T CB 0.714 69.591 68.868 0.016 0.000 1.026 210 T HN 0.333 nan 8.240 nan 0.000 0.533 211 G N 1.812 110.628 108.800 0.027 0.000 2.258 211 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.274 211 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.274 211 G C 0.147 175.120 174.900 0.122 0.000 1.021 211 G CA 0.250 45.378 45.100 0.047 0.000 0.798 211 G HN 0.909 nan 8.290 nan 0.000 0.507 212 A N -1.593 121.288 122.820 0.102 0.000 2.387 212 A HA 0.938 5.258 4.320 -0.000 0.000 0.298 212 A C -0.233 177.421 177.584 0.117 0.000 1.165 212 A CA -0.235 51.895 52.037 0.154 0.000 0.814 212 A CB 1.947 21.003 19.000 0.095 0.000 1.357 212 A HN 1.164 nan 8.150 nan 0.000 0.443 213 V N 0.728 120.729 119.914 0.145 0.000 2.459 213 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 213 V C -0.157 175.976 176.094 0.064 0.000 1.029 213 V CA -0.385 61.979 62.300 0.107 0.000 0.874 213 V CB 1.312 33.221 31.823 0.143 0.000 0.985 213 V HN 0.916 nan 8.190 nan 0.000 0.438 214 E N 4.121 124.349 120.200 0.046 0.000 2.246 214 E HA 0.678 5.028 4.350 -0.000 0.000 0.266 214 E C -1.809 174.803 176.600 0.020 0.000 0.880 214 E CA -0.587 55.829 56.400 0.026 0.000 0.762 214 E CB 1.761 31.473 29.700 0.021 0.000 1.180 214 E HN 0.628 nan 8.360 nan 0.000 0.416 215 L N 3.075 124.303 121.223 0.009 0.000 2.362 215 L HA 0.533 4.873 4.340 -0.000 0.000 0.271 215 L C -0.469 176.393 176.870 -0.013 0.000 1.002 215 L CA -0.860 53.981 54.840 0.001 0.000 0.818 215 L CB 2.132 44.191 42.059 -0.000 0.000 1.298 215 L HN 0.512 nan 8.230 nan 0.000 0.420 216 E N 0.959 121.145 120.200 -0.022 0.000 2.176 216 E HA 0.318 4.668 4.350 -0.000 0.000 0.267 216 E C -0.457 176.101 176.600 -0.069 0.000 0.893 216 E CA -0.571 55.807 56.400 -0.036 0.000 0.761 216 E CB 1.717 31.401 29.700 -0.027 0.000 1.133 216 E HN 0.608 nan 8.360 nan 0.000 0.409 217 S N 1.936 117.585 115.700 -0.085 0.000 3.559 217 S HA -0.130 4.340 4.470 -0.000 0.000 0.369 217 S C -2.142 172.320 174.600 -0.230 0.000 0.987 217 S CA 0.416 58.530 58.200 -0.144 0.000 1.187 217 S CB -1.384 61.731 63.200 -0.140 0.000 0.914 217 S HN 0.488 nan 8.310 nan 0.000 0.480 218 P HA 0.539 nan 4.420 nan 0.000 0.281 218 P C -0.148 177.026 177.300 -0.210 0.000 1.264 218 P CA -0.691 62.305 63.100 -0.173 0.000 0.824 218 P CB 0.574 32.245 31.700 -0.048 0.000 1.092 219 F N 0.248 120.204 119.950 0.009 0.000 2.379 219 F HA 0.408 4.935 4.527 0.000 0.000 0.332 219 F C 0.884 176.689 175.800 0.008 0.000 1.096 219 F CA -0.263 57.741 58.000 0.008 0.000 1.105 219 F CB 0.576 39.580 39.000 0.007 0.000 1.189 219 F HN 0.036 nan 8.300 nan 0.000 0.515 220 I N 4.383 125.087 120.570 0.224 0.000 2.411 220 I HA 0.226 4.396 4.170 -0.000 0.000 0.284 220 I C -1.163 175.010 176.117 0.094 0.000 1.012 220 I CA -0.900 60.474 61.300 0.123 0.000 1.119 220 I CB 1.640 39.693 38.000 0.088 0.000 1.261 220 I HN 0.265 nan 8.210 nan 0.000 0.448 221 L N 8.306 129.570 121.223 0.068 0.000 2.281 221 L HA 0.433 4.773 4.340 -0.000 0.000 0.285 221 L C -0.829 176.056 176.870 0.025 0.000 1.074 221 L CA 0.166 55.027 54.840 0.036 0.000 0.817 221 L CB 0.644 42.718 42.059 0.025 0.000 1.168 221 L HN 0.478 nan 8.230 nan 0.000 0.434 222 L N 6.808 128.038 121.223 0.012 0.000 2.360 222 L HA 0.598 4.938 4.340 -0.000 0.000 0.265 222 L C 0.074 176.941 176.870 -0.005 0.000 1.066 222 L CA -0.377 54.462 54.840 -0.002 0.000 0.929 222 L CB 0.777 42.829 42.059 -0.012 0.000 1.306 222 L HN 0.797 nan 8.230 nan 0.000 0.434 223 A N 1.140 123.960 122.820 0.000 0.000 2.260 223 A HA 0.319 4.639 4.320 -0.000 0.000 0.314 223 A C -0.144 177.440 177.584 -0.000 0.000 1.257 223 A CA -0.468 51.570 52.037 0.001 0.000 0.871 223 A CB 0.561 19.566 19.000 0.008 0.000 1.166 223 A HN 0.629 nan 8.150 nan 0.000 0.522 224 D N 2.451 122.849 120.400 -0.004 0.000 2.845 224 D HA 0.343 4.983 4.640 -0.000 0.000 0.235 224 D C 0.086 176.388 176.300 0.004 0.000 1.158 224 D CA 0.224 54.222 54.000 -0.004 0.000 0.990 224 D CB -0.590 40.203 40.800 -0.011 0.000 1.094 224 D HN 0.646 nan 8.370 nan 0.000 0.486 225 K N -0.921 119.486 120.400 0.011 0.000 2.809 225 K HA 0.264 4.584 4.320 -0.000 0.000 0.293 225 K C -1.256 175.358 176.600 0.024 0.000 1.061 225 K CA -1.167 55.130 56.287 0.017 0.000 0.837 225 K CB 0.630 33.138 32.500 0.013 0.000 1.524 225 K HN -0.179 nan 8.250 nan 0.000 0.370 226 K N 0.898 121.314 120.400 0.027 0.000 2.144 226 K HA 0.444 4.764 4.320 -0.000 0.000 0.270 226 K C -0.561 176.057 176.600 0.030 0.000 1.005 226 K CA -0.528 55.779 56.287 0.032 0.000 0.932 226 K CB 0.844 33.364 32.500 0.034 0.000 1.021 226 K HN 0.368 nan 8.250 nan 0.000 0.462 227 I N 2.020 122.612 120.570 0.035 0.000 2.382 227 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 227 I C 0.324 176.464 176.117 0.038 0.000 1.007 227 I CA -0.065 61.255 61.300 0.034 0.000 1.142 227 I CB 1.814 39.836 38.000 0.036 0.000 1.289 227 I HN 0.651 nan 8.210 nan 0.000 0.453 228 S N 3.339 119.058 115.700 0.032 0.000 2.641 228 S HA 0.200 4.670 4.470 -0.000 0.000 0.239 228 S C 0.643 175.260 174.600 0.028 0.000 1.081 228 S CA -0.066 58.153 58.200 0.031 0.000 0.904 228 S CB 0.251 63.467 63.200 0.026 0.000 0.803 228 S HN 0.581 nan 8.310 nan 0.000 0.510 229 N N 1.928 120.642 118.700 0.023 0.000 2.434 229 N HA 0.294 5.034 4.740 -0.000 0.000 0.272 229 N C 0.488 176.011 175.510 0.021 0.000 1.040 229 N CA -0.103 52.958 53.050 0.019 0.000 0.956 229 N CB 1.722 40.218 38.487 0.015 0.000 1.108 229 N HN 0.170 nan 8.380 nan 0.000 0.481 230 I N 2.744 123.326 120.570 0.021 0.000 2.493 230 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 230 I C 1.947 178.073 176.117 0.016 0.000 1.160 230 I CA 0.924 62.237 61.300 0.022 0.000 1.445 230 I CB 0.211 38.223 38.000 0.021 0.000 1.086 230 I HN 0.423 nan 8.210 nan 0.000 0.433 231 R N 0.939 121.446 120.500 0.012 0.000 2.134 231 R HA -0.264 4.076 4.340 -0.000 0.000 0.248 231 R C 1.998 178.302 176.300 0.006 0.000 1.143 231 R CA 2.361 58.466 56.100 0.008 0.000 0.957 231 R CB -0.602 29.702 30.300 0.006 0.000 0.867 231 R HN 0.562 nan 8.270 nan 0.000 0.441 232 E N -0.129 120.076 120.200 0.008 0.000 2.160 232 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 232 E C 2.007 178.610 176.600 0.004 0.000 0.991 232 E CA 1.115 57.519 56.400 0.006 0.000 0.810 232 E CB -0.025 29.680 29.700 0.008 0.000 0.742 232 E HN 0.279 nan 8.360 nan 0.000 0.466 233 M N 0.228 119.834 119.600 0.009 0.000 2.236 233 M HA -0.015 4.465 4.480 -0.000 0.000 0.266 233 M C 2.341 178.643 176.300 0.005 0.000 1.070 233 M CA 0.906 56.211 55.300 0.009 0.000 1.137 233 M CB -0.801 31.811 32.600 0.021 0.000 1.378 233 M HN 0.140 nan 8.290 nan 0.000 0.426 234 L N 0.724 121.951 121.223 0.006 0.000 2.040 234 L HA -0.281 4.059 4.340 -0.000 0.000 0.228 234 L C -0.177 176.690 176.870 -0.004 0.000 1.092 234 L CA 2.142 56.983 54.840 0.003 0.000 0.805 234 L CB -2.724 39.336 42.059 0.003 0.000 0.905 234 L HN 0.200 nan 8.230 nan 0.000 0.443 235 P HA -0.135 nan 4.420 nan 0.000 0.215 235 P C 1.853 179.136 177.300 -0.029 0.000 1.157 235 P CA 1.666 64.755 63.100 -0.018 0.000 0.868 235 P CB -0.021 31.668 31.700 -0.018 0.000 0.788 236 V N 0.315 120.211 119.914 -0.031 0.000 2.453 236 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 236 V C 2.902 178.970 176.094 -0.043 0.000 1.048 236 V CA 1.297 63.567 62.300 -0.050 0.000 1.049 236 V CB -1.257 30.539 31.823 -0.045 0.000 0.672 236 V HN -0.016 nan 8.190 nan 0.000 0.457 237 L N -0.118 121.096 121.223 -0.015 0.000 2.079 237 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 237 L C 2.599 179.470 176.870 0.001 0.000 1.081 237 L CA 1.805 56.648 54.840 0.004 0.000 0.752 237 L CB -0.607 41.462 42.059 0.017 0.000 0.896 237 L HN 0.420 nan 8.230 nan 0.000 0.433 238 E N 0.014 120.210 120.200 -0.007 0.000 2.107 238 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 238 E C 2.324 178.913 176.600 -0.018 0.000 0.982 238 E CA 0.964 57.360 56.400 -0.006 0.000 0.809 238 E CB -0.157 29.538 29.700 -0.007 0.000 0.756 238 E HN 0.485 nan 8.360 nan 0.000 0.459 239 A N 1.051 123.845 122.820 -0.044 0.000 1.972 239 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 239 A C 2.407 179.937 177.584 -0.089 0.000 1.169 239 A CA 1.135 53.126 52.037 -0.077 0.000 0.635 239 A CB -0.410 18.518 19.000 -0.120 0.000 0.810 239 A HN 0.123 nan 8.150 nan 0.000 0.446 240 V N -0.578 119.294 119.914 -0.070 0.000 2.951 240 V HA -0.067 4.053 4.120 -0.000 0.000 0.255 240 V C 2.879 179.020 176.094 0.078 0.000 1.088 240 V CA 1.166 63.468 62.300 0.004 0.000 1.109 240 V CB -0.900 30.953 31.823 0.049 0.000 0.724 240 V HN 0.589 nan 8.190 nan 0.000 0.471 241 A N 0.085 122.929 122.820 0.041 0.000 1.908 241 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 241 A C 1.597 179.213 177.584 0.053 0.000 1.181 241 A CA 1.379 53.444 52.037 0.045 0.000 0.627 241 A CB -0.228 18.787 19.000 0.026 0.000 0.818 241 A HN 0.548 nan 8.150 nan 0.000 0.445 242 K N -3.015 117.412 120.400 0.046 0.000 2.318 242 K HA 0.464 4.784 4.320 -0.000 0.000 0.243 242 K C 1.116 177.774 176.600 0.097 0.000 1.047 242 K CA 0.131 56.450 56.287 0.052 0.000 0.937 242 K CB 0.155 32.673 32.500 0.031 0.000 1.225 242 K HN 0.692 nan 8.250 nan 0.000 0.506 243 A N -0.112 122.767 122.820 0.098 0.000 4.115 243 A HA -0.227 4.093 4.320 -0.000 0.000 0.268 243 A C 1.155 178.811 177.584 0.120 0.000 0.917 243 A CA 1.633 53.755 52.037 0.143 0.000 1.090 243 A CB -2.485 16.684 19.000 0.282 0.000 1.067 243 A HN 1.380 nan 8.150 nan 0.000 0.828 244 G N -1.002 107.858 108.800 0.101 0.000 2.395 244 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.300 244 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.300 244 G C -0.079 174.857 174.900 0.061 0.000 0.998 244 G CA 1.484 46.627 45.100 0.071 0.000 1.046 244 G HN 1.151 nan 8.290 nan 0.000 0.513 245 K N 0.456 120.919 120.400 0.105 0.000 2.318 245 K HA 0.538 4.858 4.320 -0.000 0.000 0.249 245 K C -2.273 174.381 176.600 0.089 0.000 0.942 245 K CA -2.067 54.238 56.287 0.030 0.000 0.808 245 K CB 2.816 35.218 32.500 -0.163 0.000 1.189 245 K HN 0.070 nan 8.250 nan 0.000 0.428 246 P HA 0.149 nan 4.420 nan 0.000 0.274 246 P C -1.194 176.165 177.300 0.098 0.000 1.246 246 P CA -0.585 62.551 63.100 0.060 0.000 0.795 246 P CB 0.772 32.487 31.700 0.025 0.000 1.006 247 L N 2.099 123.381 121.223 0.099 0.000 2.362 247 L HA 0.533 4.872 4.340 -0.000 0.000 0.275 247 L C -1.275 175.625 176.870 0.050 0.000 0.998 247 L CA -0.974 53.934 54.840 0.114 0.000 0.820 247 L CB 1.529 43.658 42.059 0.117 0.000 1.270 247 L HN 0.175 nan 8.230 nan 0.000 0.415 248 L N 6.166 127.420 121.223 0.052 0.000 2.305 248 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 248 L C -1.172 175.711 176.870 0.022 0.000 1.013 248 L CA -0.191 54.656 54.840 0.012 0.000 0.819 248 L CB 1.113 43.189 42.059 0.029 0.000 1.227 248 L HN 0.428 nan 8.230 nan 0.000 0.417 249 I N 7.178 127.741 120.570 -0.012 0.000 2.304 249 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 249 I C -0.075 176.055 176.117 0.023 0.000 1.018 249 I CA -0.139 61.165 61.300 0.007 0.000 1.260 249 I CB 0.989 38.988 38.000 -0.002 0.000 1.390 249 I HN 0.577 nan 8.210 nan 0.000 0.475 250 I N 6.234 126.828 120.570 0.040 0.000 2.442 250 I HA 0.452 4.622 4.170 -0.000 0.000 0.279 250 I C 0.372 176.506 176.117 0.028 0.000 1.081 250 I CA -0.175 61.158 61.300 0.054 0.000 1.197 250 I CB 0.942 38.972 38.000 0.051 0.000 1.394 250 I HN 0.615 nan 8.210 nan 0.000 0.488 251 A N 3.960 126.802 122.820 0.037 0.000 2.344 251 A HA 0.421 4.741 4.320 -0.000 0.000 0.307 251 A C 1.044 178.651 177.584 0.037 0.000 1.151 251 A CA -0.537 51.518 52.037 0.029 0.000 0.842 251 A CB 1.255 20.274 19.000 0.032 0.000 1.350 251 A HN 0.684 nan 8.150 nan 0.000 0.459 252 E N -0.674 119.545 120.200 0.032 0.000 2.171 252 E HA -0.159 4.191 4.350 -0.000 0.000 0.197 252 E C -0.357 176.275 176.600 0.054 0.000 0.997 252 E CA 1.715 58.139 56.400 0.042 0.000 0.810 252 E CB 0.098 29.821 29.700 0.038 0.000 0.738 252 E HN 0.656 nan 8.360 nan 0.000 0.467 253 D N -2.416 118.015 120.400 0.052 0.000 2.951 253 D HA 0.059 4.699 4.640 -0.000 0.000 0.262 253 D C -1.995 174.342 176.300 0.060 0.000 1.110 253 D CA -0.473 53.564 54.000 0.060 0.000 0.724 253 D CB 1.323 42.158 40.800 0.058 0.000 1.516 253 D HN -0.131 nan 8.370 nan 0.000 0.447 254 V N 2.871 122.829 119.914 0.074 0.000 2.304 254 V HA 0.409 4.529 4.120 -0.000 0.000 0.278 254 V C 0.113 176.258 176.094 0.085 0.000 1.018 254 V CA -0.611 61.737 62.300 0.080 0.000 0.814 254 V CB 1.134 33.016 31.823 0.099 0.000 1.021 254 V HN 0.440 nan 8.190 nan 0.000 0.440 255 E N 2.613 122.854 120.200 0.068 0.000 2.345 255 E HA 0.407 4.757 4.350 -0.000 0.000 0.259 255 E C 1.439 178.075 176.600 0.060 0.000 1.117 255 E CA 0.120 56.557 56.400 0.061 0.000 0.913 255 E CB 1.103 30.831 29.700 0.046 0.000 1.057 255 E HN 0.661 nan 8.360 nan 0.000 0.432 256 G N 1.720 110.551 108.800 0.052 0.000 3.051 256 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.266 256 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.266 256 G C 1.289 176.212 174.900 0.039 0.000 1.060 256 G CA 1.464 46.590 45.100 0.044 0.000 0.757 256 G HN 0.678 nan 8.290 nan 0.000 0.926 257 E N 1.042 121.260 120.200 0.031 0.000 2.072 257 E HA -0.278 4.072 4.350 -0.000 0.000 0.218 257 E C 2.967 179.587 176.600 0.033 0.000 1.051 257 E CA 2.218 58.633 56.400 0.025 0.000 0.880 257 E CB -0.949 28.764 29.700 0.022 0.000 0.783 257 E HN 0.443 nan 8.360 nan 0.000 0.473 258 A N 0.887 123.732 122.820 0.042 0.000 1.908 258 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 258 A C 2.361 179.991 177.584 0.076 0.000 1.181 258 A CA 1.778 53.846 52.037 0.053 0.000 0.627 258 A CB -0.801 18.231 19.000 0.053 0.000 0.818 258 A HN 0.360 nan 8.150 nan 0.000 0.445 259 L N -0.194 121.083 121.223 0.091 0.000 2.017 259 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 259 L C 2.720 179.644 176.870 0.089 0.000 1.073 259 L CA 2.255 57.176 54.840 0.135 0.000 0.745 259 L CB -0.885 41.260 42.059 0.142 0.000 0.894 259 L HN 0.360 nan 8.230 nan 0.000 0.432 260 A N -1.496 121.350 122.820 0.042 0.000 1.917 260 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 260 A C 2.266 179.838 177.584 -0.020 0.000 1.182 260 A CA 2.565 54.598 52.037 -0.007 0.000 0.633 260 A CB -1.331 17.665 19.000 -0.008 0.000 0.819 260 A HN 0.543 nan 8.150 nan 0.000 0.448 261 T N 0.610 115.170 114.554 0.010 0.000 2.708 261 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 261 T C 1.826 176.539 174.700 0.023 0.000 1.037 261 T CA 1.554 63.659 62.100 0.009 0.000 1.146 261 T CB -0.471 68.411 68.868 0.023 0.000 0.865 261 T HN 0.387 nan 8.240 nan 0.000 0.435 262 L N 0.841 122.108 121.223 0.074 0.000 2.042 262 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 262 L C 2.691 179.617 176.870 0.093 0.000 1.076 262 L CA 0.958 55.884 54.840 0.144 0.000 0.749 262 L CB -0.858 41.367 42.059 0.276 0.000 0.893 262 L HN 0.154 nan 8.230 nan 0.000 0.432 263 V N -0.798 119.089 119.914 -0.045 0.000 2.407 263 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 263 V C 2.380 178.340 176.094 -0.224 0.000 1.055 263 V CA 1.465 63.601 62.300 -0.273 0.000 1.049 263 V CB -0.277 31.333 31.823 -0.354 0.000 0.662 263 V HN 0.208 nan 8.190 nan 0.000 0.455 264 V N 0.513 120.337 119.914 -0.150 0.000 2.323 264 V HA -0.231 3.889 4.120 -0.000 0.000 0.244 264 V C 2.086 178.136 176.094 -0.073 0.000 1.041 264 V CA 2.347 64.569 62.300 -0.129 0.000 1.025 264 V CB -0.958 30.809 31.823 -0.094 0.000 0.656 264 V HN 0.602 nan 8.190 nan 0.000 0.451 265 N N 0.684 119.367 118.700 -0.029 0.000 2.084 265 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 265 N C 1.867 177.384 175.510 0.012 0.000 1.030 265 N CA 1.878 54.927 53.050 -0.001 0.000 0.849 265 N CB -0.280 38.220 38.487 0.022 0.000 1.012 265 N HN 0.649 nan 8.380 nan 0.000 0.423 266 T N -1.174 113.402 114.554 0.037 0.000 3.051 266 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 266 T C 1.638 176.350 174.700 0.020 0.000 1.127 266 T CA 0.587 62.726 62.100 0.064 0.000 1.107 266 T CB -0.033 68.930 68.868 0.159 0.000 0.898 266 T HN 0.043 nan 8.240 nan 0.000 0.517 267 M N 0.804 120.384 119.600 -0.033 0.000 2.447 267 M HA 0.293 4.773 4.480 -0.000 0.000 0.264 267 M C 1.718 177.995 176.300 -0.038 0.000 1.095 267 M CA 0.939 56.202 55.300 -0.063 0.000 1.125 267 M CB -0.010 32.505 32.600 -0.141 0.000 1.389 267 M HN 0.067 nan 8.290 nan 0.000 0.459 268 R N -0.930 119.555 120.500 -0.026 0.000 2.552 268 R HA 0.387 4.727 4.340 -0.000 0.000 0.314 268 R C 1.012 177.311 176.300 -0.002 0.000 1.041 268 R CA 0.480 56.570 56.100 -0.017 0.000 1.076 268 R CB -0.086 30.202 30.300 -0.020 0.000 1.290 268 R HN 0.504 nan 8.270 nan 0.000 0.563 269 G N 1.674 110.478 108.800 0.007 0.000 2.196 269 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.268 269 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.268 269 G C 0.370 175.283 174.900 0.021 0.000 0.975 269 G CA 0.088 45.198 45.100 0.016 0.000 0.648 269 G HN 0.374 nan 8.290 nan 0.000 0.538 270 I N 1.697 122.278 120.570 0.019 0.000 2.349 270 I HA 0.343 4.512 4.170 -0.000 0.000 0.302 270 I C 0.792 176.930 176.117 0.036 0.000 1.180 270 I CA -0.220 61.093 61.300 0.022 0.000 1.405 270 I CB -0.189 37.820 38.000 0.015 0.000 1.474 270 I HN 0.138 nan 8.210 nan 0.000 0.632 271 V N 4.194 124.133 119.914 0.041 0.000 3.493 271 V HA -0.227 3.893 4.120 -0.000 0.000 0.498 271 V C -0.053 176.083 176.094 0.069 0.000 0.682 271 V CA 0.233 62.566 62.300 0.055 0.000 2.046 271 V CB -0.904 30.952 31.823 0.056 0.000 2.479 271 V HN 0.722 nan 8.190 nan 0.000 0.507 272 K N 4.255 124.698 120.400 0.072 0.000 2.284 272 K HA 0.703 5.023 4.320 -0.000 0.000 0.287 272 K C -0.496 176.157 176.600 0.089 0.000 1.081 272 K CA -0.208 56.129 56.287 0.084 0.000 0.910 272 K CB 1.531 34.071 32.500 0.067 0.000 1.088 272 K HN 0.556 nan 8.250 nan 0.000 0.478 273 V N 1.543 121.528 119.914 0.117 0.000 2.709 273 V HA 0.817 4.937 4.120 -0.000 0.000 0.308 273 V C -0.785 175.312 176.094 0.006 0.000 1.062 273 V CA -1.104 61.241 62.300 0.075 0.000 0.901 273 V CB 2.003 33.880 31.823 0.090 0.000 1.003 273 V HN 0.760 nan 8.190 nan 0.000 0.425 274 A N 2.996 125.680 122.820 -0.228 0.000 2.435 274 A HA 1.027 5.347 4.320 -0.000 0.000 0.304 274 A C -0.502 176.723 177.584 -0.598 0.000 1.064 274 A CA -0.273 51.301 52.037 -0.771 0.000 0.727 274 A CB 1.932 20.670 19.000 -0.437 0.000 1.284 274 A HN 1.580 nan 8.150 nan 0.000 0.415 275 A N 0.753 123.080 122.820 -0.821 0.000 2.386 275 A HA 0.843 5.163 4.320 -0.000 0.000 0.311 275 A C -0.442 177.061 177.584 -0.134 0.000 1.068 275 A CA -0.098 51.767 52.037 -0.287 0.000 0.743 275 A CB 1.349 20.281 19.000 -0.114 0.000 1.258 275 A HN 2.304 nan 8.150 nan 0.000 0.429 276 V N -0.838 119.068 119.914 -0.013 0.000 3.114 276 V HA 0.638 4.758 4.120 -0.000 0.000 0.308 276 V C -0.523 175.633 176.094 0.104 0.000 1.168 276 V CA -1.235 61.098 62.300 0.055 0.000 1.015 276 V CB 1.526 33.385 31.823 0.059 0.000 1.050 276 V HN 0.879 nan 8.190 nan 0.000 0.433 277 K N 1.684 122.154 120.400 0.117 0.000 2.219 277 K HA 0.681 5.001 4.320 -0.000 0.000 0.258 277 K C 0.335 177.032 176.600 0.160 0.000 1.008 277 K CA 0.238 56.595 56.287 0.117 0.000 0.928 277 K CB 1.231 33.791 32.500 0.102 0.000 0.983 277 K HN 1.119 nan 8.250 nan 0.000 0.484 278 A N 3.579 126.454 122.820 0.092 0.000 2.388 278 A HA 0.255 4.575 4.320 -0.000 0.000 0.257 278 A C -2.072 175.539 177.584 0.045 0.000 1.095 278 A CA -1.298 50.752 52.037 0.021 0.000 0.791 278 A CB -0.279 18.710 19.000 -0.018 0.000 1.029 278 A HN 0.458 nan 8.150 nan 0.000 0.489 279 P HA 0.332 nan 4.420 nan 0.000 0.269 279 P C 0.690 178.024 177.300 0.057 0.000 1.215 279 P CA 1.451 64.584 63.100 0.055 0.000 0.780 279 P CB 0.471 32.128 31.700 -0.071 0.000 0.898 280 G N 1.718 110.599 108.800 0.135 0.000 2.804 280 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.230 280 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.230 280 G C -0.799 174.271 174.900 0.284 0.000 1.386 280 G CA 0.006 45.224 45.100 0.197 0.000 0.875 280 G HN 0.757 nan 8.290 nan 0.000 0.557 281 F N -2.181 117.784 119.950 0.025 0.000 2.662 281 F HA 0.850 5.377 4.527 -0.000 0.000 0.312 281 F C 0.954 176.769 175.800 0.025 0.000 1.113 281 F CA 0.125 58.140 58.000 0.025 0.000 0.951 281 F CB 0.986 40.005 39.000 0.032 0.000 1.344 281 F HN 2.497 nan 8.300 nan 0.000 0.462 282 G N 1.389 110.141 108.800 -0.079 0.000 2.547 282 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.271 282 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.271 282 G C 0.305 175.112 174.900 -0.155 0.000 1.209 282 G CA 0.535 45.525 45.100 -0.184 0.000 0.959 282 G HN 0.867 nan 8.290 nan 0.000 0.563 283 D N 1.039 121.336 120.400 -0.172 0.000 2.084 283 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 283 D C 2.511 178.740 176.300 -0.119 0.000 0.990 283 D CA 1.801 55.731 54.000 -0.116 0.000 0.826 283 D CB -0.357 40.384 40.800 -0.097 0.000 0.971 283 D HN 0.740 nan 8.370 nan 0.000 0.453 284 R N 1.445 121.848 120.500 -0.161 0.000 2.211 284 R HA -0.130 4.210 4.340 -0.000 0.000 0.240 284 R C 2.205 178.442 176.300 -0.105 0.000 1.144 284 R CA 1.186 57.206 56.100 -0.134 0.000 0.992 284 R CB -0.493 29.713 30.300 -0.157 0.000 0.869 284 R HN 0.115 nan 8.270 nan 0.000 0.462 285 R N 1.616 122.055 120.500 -0.101 0.000 2.083 285 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 285 R C 1.618 177.881 176.300 -0.061 0.000 1.137 285 R CA 2.056 58.121 56.100 -0.057 0.000 0.951 285 R CB -0.075 30.215 30.300 -0.017 0.000 0.851 285 R HN 0.327 nan 8.270 nan 0.000 0.434 286 K N -0.050 120.316 120.400 -0.057 0.000 2.057 286 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 286 K C 2.166 178.730 176.600 -0.059 0.000 1.049 286 K CA 1.368 57.624 56.287 -0.051 0.000 0.931 286 K CB -0.163 32.312 32.500 -0.042 0.000 0.714 286 K HN 0.240 nan 8.250 nan 0.000 0.440 287 A N 1.371 124.152 122.820 -0.064 0.000 1.933 287 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 287 A C 2.136 179.676 177.584 -0.074 0.000 1.175 287 A CA 1.483 53.481 52.037 -0.064 0.000 0.628 287 A CB -0.454 18.507 19.000 -0.065 0.000 0.814 287 A HN 0.183 nan 8.150 nan 0.000 0.444 288 M N -0.995 118.552 119.600 -0.088 0.000 2.254 288 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 288 M C 2.174 178.389 176.300 -0.141 0.000 1.066 288 M CA 1.020 56.253 55.300 -0.112 0.000 1.123 288 M CB -0.328 32.200 32.600 -0.120 0.000 1.388 288 M HN 0.432 nan 8.290 nan 0.000 0.425 289 L N 0.235 121.383 121.223 -0.125 0.000 2.131 289 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 289 L C 2.572 179.384 176.870 -0.096 0.000 1.092 289 L CA 1.355 56.119 54.840 -0.127 0.000 0.759 289 L CB -0.189 41.817 42.059 -0.087 0.000 0.903 289 L HN 0.321 nan 8.230 nan 0.000 0.435 290 Q N -0.052 119.703 119.800 -0.075 0.000 2.123 290 Q HA -0.200 4.140 4.340 -0.000 0.000 0.199 290 Q C 1.690 177.657 176.000 -0.056 0.000 0.966 290 Q CA 1.649 57.418 55.803 -0.056 0.000 0.845 290 Q CB -0.092 28.619 28.738 -0.046 0.000 0.907 290 Q HN 0.422 nan 8.270 nan 0.000 0.439 291 D N -0.114 120.245 120.400 -0.068 0.000 2.144 291 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 291 D C 1.809 178.074 176.300 -0.059 0.000 0.984 291 D CA 1.275 55.239 54.000 -0.060 0.000 0.834 291 D CB -0.044 40.716 40.800 -0.067 0.000 0.955 291 D HN 0.388 nan 8.370 nan 0.000 0.465 292 I N 1.228 121.744 120.570 -0.089 0.000 2.252 292 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 292 I C 2.596 178.690 176.117 -0.038 0.000 1.102 292 I CA 0.840 62.093 61.300 -0.078 0.000 1.385 292 I CB -0.279 37.636 38.000 -0.141 0.000 1.064 292 I HN -0.093 nan 8.210 nan 0.000 0.414 293 A N 0.757 123.553 122.820 -0.039 0.000 1.883 293 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 293 A C 2.391 179.969 177.584 -0.010 0.000 1.186 293 A CA 2.649 54.675 52.037 -0.018 0.000 0.624 293 A CB -1.229 17.758 19.000 -0.021 0.000 0.822 293 A HN 0.392 nan 8.150 nan 0.000 0.444 294 T N 0.235 114.779 114.554 -0.016 0.000 2.833 294 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 294 T C 1.775 176.472 174.700 -0.004 0.000 1.054 294 T CA 1.245 63.339 62.100 -0.010 0.000 1.135 294 T CB -0.223 68.635 68.868 -0.015 0.000 0.869 294 T HN 0.300 nan 8.240 nan 0.000 0.466 295 L N 1.846 123.066 121.223 -0.005 0.000 2.131 295 L HA 0.001 4.341 4.340 -0.000 0.000 0.206 295 L C 2.326 179.202 176.870 0.011 0.000 1.087 295 L CA 2.040 56.882 54.840 0.003 0.000 0.767 295 L CB -1.191 40.871 42.059 0.005 0.000 0.917 295 L HN 0.416 nan 8.230 nan 0.000 0.441 296 T N -4.021 110.541 114.554 0.014 0.000 3.086 296 T HA 0.230 4.580 4.350 -0.000 0.000 0.250 296 T C 1.282 176.001 174.700 0.030 0.000 1.074 296 T CA 0.388 62.503 62.100 0.025 0.000 0.988 296 T CB -0.046 68.842 68.868 0.035 0.000 0.988 296 T HN 0.507 nan 8.240 nan 0.000 0.530 297 G N 0.620 109.433 108.800 0.021 0.000 2.221 297 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.265 297 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.265 297 G C 0.377 175.296 174.900 0.031 0.000 1.041 297 G CA -0.112 45.002 45.100 0.024 0.000 0.807 297 G HN 1.020 nan 8.290 nan 0.000 0.502 298 G N -1.754 107.061 108.800 0.026 0.000 2.642 298 G HA2 0.762 4.722 3.960 -0.000 0.000 0.291 298 G HA3 0.762 4.722 3.960 -0.000 0.000 0.291 298 G C -0.442 174.463 174.900 0.009 0.000 1.345 298 G CA 0.207 45.323 45.100 0.026 0.000 1.043 298 G HN 0.694 nan 8.290 nan 0.000 0.528 299 T N 0.156 114.712 114.554 0.004 0.000 2.881 299 T HA 0.379 4.729 4.350 -0.000 0.000 0.291 299 T C -0.160 174.535 174.700 -0.008 0.000 0.990 299 T CA -0.277 61.820 62.100 -0.005 0.000 0.976 299 T CB 1.602 70.466 68.868 -0.006 0.000 0.970 299 T HN 0.368 nan 8.240 nan 0.000 0.438 300 V N 4.800 124.706 119.914 -0.013 0.000 2.540 300 V HA 0.169 4.289 4.120 -0.000 0.000 0.297 300 V C 0.474 176.560 176.094 -0.013 0.000 1.024 300 V CA 0.047 62.338 62.300 -0.016 0.000 1.105 300 V CB 0.057 31.867 31.823 -0.022 0.000 0.938 300 V HN 0.774 nan 8.190 nan 0.000 0.482 301 I N 5.554 126.117 120.570 -0.011 0.000 2.316 301 I HA 0.228 4.397 4.170 -0.000 0.000 0.286 301 I C 0.470 176.582 176.117 -0.007 0.000 1.107 301 I CA 0.145 61.440 61.300 -0.009 0.000 1.219 301 I CB 0.542 38.537 38.000 -0.008 0.000 1.455 301 I HN 0.728 nan 8.210 nan 0.000 0.498 302 S N 2.728 118.423 115.700 -0.008 0.000 2.509 302 S HA 0.377 4.847 4.470 -0.000 0.000 0.297 302 S C 0.641 175.238 174.600 -0.005 0.000 1.118 302 S CA -0.827 57.369 58.200 -0.006 0.000 1.074 302 S CB 2.034 65.228 63.200 -0.009 0.000 1.038 302 S HN 0.540 nan 8.310 nan 0.000 0.498 303 E N 1.304 121.502 120.200 -0.002 0.000 2.274 303 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 303 E C 1.336 177.935 176.600 -0.002 0.000 0.996 303 E CA 0.799 57.198 56.400 -0.001 0.000 0.840 303 E CB -0.068 29.633 29.700 0.002 0.000 0.772 303 E HN 0.792 nan 8.360 nan 0.000 0.491 304 E N 0.554 120.752 120.200 -0.003 0.000 2.160 304 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 304 E C 1.375 177.972 176.600 -0.005 0.000 0.991 304 E CA 0.816 57.213 56.400 -0.004 0.000 0.810 304 E CB -0.013 29.683 29.700 -0.006 0.000 0.742 304 E HN 0.341 nan 8.360 nan 0.000 0.466 305 I N 0.112 120.678 120.570 -0.006 0.000 3.884 305 I HA 0.155 4.325 4.170 -0.000 0.000 0.330 305 I C 0.780 176.894 176.117 -0.005 0.000 1.451 305 I CA -0.145 61.151 61.300 -0.006 0.000 1.165 305 I CB 0.158 38.153 38.000 -0.008 0.000 1.097 305 I HN 0.067 nan 8.210 nan 0.000 0.404 306 G N 2.120 110.918 108.800 -0.004 0.000 2.323 306 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.292 306 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.292 306 G C 0.069 174.966 174.900 -0.004 0.000 1.040 306 G CA 0.156 45.254 45.100 -0.003 0.000 0.942 306 G HN 0.378 nan 8.290 nan 0.000 0.506 307 M N -0.271 119.326 119.600 -0.005 0.000 2.363 307 M HA 0.503 4.983 4.480 -0.000 0.000 0.343 307 M C 0.286 176.583 176.300 -0.005 0.000 1.165 307 M CA -0.287 55.009 55.300 -0.006 0.000 1.046 307 M CB 1.545 34.141 32.600 -0.008 0.000 1.648 307 M HN 0.238 nan 8.290 nan 0.000 0.452 308 E N 1.794 121.990 120.200 -0.006 0.000 2.227 308 E HA 0.320 4.670 4.350 -0.000 0.000 0.268 308 E C 0.184 176.779 176.600 -0.008 0.000 0.907 308 E CA -0.522 55.874 56.400 -0.005 0.000 0.786 308 E CB 2.279 31.976 29.700 -0.005 0.000 1.191 308 E HN 0.662 nan 8.360 nan 0.000 0.411 309 L N 1.550 122.769 121.223 -0.006 0.000 2.201 309 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 309 L C 1.648 178.510 176.870 -0.012 0.000 1.105 309 L CA 1.028 55.864 54.840 -0.008 0.000 0.775 309 L CB -0.222 41.836 42.059 -0.003 0.000 0.913 309 L HN 0.534 nan 8.230 nan 0.000 0.440 310 E N 0.730 120.925 120.200 -0.010 0.000 2.077 310 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 310 E C 1.000 177.590 176.600 -0.016 0.000 0.989 310 E CA 1.107 57.500 56.400 -0.011 0.000 0.800 310 E CB -0.065 29.631 29.700 -0.008 0.000 0.746 310 E HN 0.312 nan 8.360 nan 0.000 0.452 311 K N 0.484 120.875 120.400 -0.015 0.000 3.173 311 K HA 0.416 4.736 4.320 -0.000 0.000 0.255 311 K C -0.763 175.823 176.600 -0.023 0.000 1.235 311 K CA -0.193 56.083 56.287 -0.018 0.000 1.250 311 K CB 0.717 33.208 32.500 -0.014 0.000 1.382 311 K HN -0.022 nan 8.250 nan 0.000 0.421 312 A N 1.215 124.018 122.820 -0.030 0.000 2.335 312 A HA 0.404 4.724 4.320 -0.000 0.000 0.304 312 A C 0.093 177.642 177.584 -0.058 0.000 1.118 312 A CA -0.680 51.334 52.037 -0.039 0.000 0.757 312 A CB 0.762 19.741 19.000 -0.035 0.000 1.188 312 A HN 0.294 nan 8.150 nan 0.000 0.460 313 T N -0.028 114.486 114.554 -0.066 0.000 2.923 313 T HA 0.518 4.868 4.350 -0.000 0.000 0.281 313 T C 1.104 175.719 174.700 -0.142 0.000 0.995 313 T CA -0.747 61.298 62.100 -0.092 0.000 0.985 313 T CB 0.532 69.359 68.868 -0.069 0.000 1.114 313 T HN 0.373 nan 8.240 nan 0.000 0.548 314 L N -0.021 121.077 121.223 -0.208 0.000 2.447 314 L HA -0.046 4.294 4.340 -0.000 0.000 0.225 314 L C 2.760 179.505 176.870 -0.207 0.000 1.148 314 L CA 1.378 55.998 54.840 -0.366 0.000 0.808 314 L CB -0.557 41.225 42.059 -0.461 0.000 0.928 314 L HN 0.867 nan 8.230 nan 0.000 0.448 315 E N 0.120 120.258 120.200 -0.103 0.000 2.216 315 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 315 E C 1.355 177.940 176.600 -0.024 0.000 0.988 315 E CA 0.739 57.116 56.400 -0.038 0.000 0.834 315 E CB 0.268 29.952 29.700 -0.026 0.000 0.772 315 E HN 0.467 nan 8.360 nan 0.000 0.479 316 D N 0.236 120.610 120.400 -0.043 0.000 2.194 316 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 316 D C 0.318 176.612 176.300 -0.009 0.000 0.964 316 D CA 0.308 54.294 54.000 -0.024 0.000 0.846 316 D CB 0.110 40.891 40.800 -0.032 0.000 0.962 316 D HN 0.131 nan 8.370 nan 0.000 0.490 317 L N 1.039 122.247 121.223 -0.026 0.000 2.483 317 L HA 0.212 4.552 4.340 -0.000 0.000 0.276 317 L C 1.465 178.403 176.870 0.112 0.000 1.213 317 L CA 0.316 55.174 54.840 0.030 0.000 0.843 317 L CB 0.454 42.498 42.059 -0.025 0.000 1.107 317 L HN -0.145 nan 8.230 nan 0.000 0.487 318 G N 1.290 110.163 108.800 0.121 0.000 2.543 318 G HA2 0.546 4.506 3.960 -0.000 0.000 0.290 318 G HA3 0.546 4.506 3.960 -0.000 0.000 0.290 318 G C -1.042 173.953 174.900 0.159 0.000 1.310 318 G CA -0.240 44.927 45.100 0.111 0.000 1.025 318 G HN 0.577 nan 8.290 nan 0.000 0.502 319 Q N -1.881 117.972 119.800 0.088 0.000 2.386 319 Q HA 0.558 4.898 4.340 -0.000 0.000 0.274 319 Q C -1.447 174.551 176.000 -0.003 0.000 1.011 319 Q CA -0.736 55.085 55.803 0.030 0.000 0.867 319 Q CB 2.098 30.842 28.738 0.011 0.000 1.409 319 Q HN 1.028 nan 8.270 nan 0.000 0.395 320 A N 2.241 125.041 122.820 -0.033 0.000 2.572 320 A HA 0.432 4.752 4.320 -0.000 0.000 0.295 320 A C -0.459 177.097 177.584 -0.046 0.000 1.072 320 A CA -0.619 51.404 52.037 -0.023 0.000 0.691 320 A CB 1.648 20.649 19.000 0.002 0.000 1.291 320 A HN 0.833 nan 8.150 nan 0.000 0.404 321 K N -0.325 120.054 120.400 -0.035 0.000 2.209 321 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 321 K C 0.770 177.349 176.600 -0.035 0.000 1.048 321 K CA 1.494 57.757 56.287 -0.040 0.000 0.940 321 K CB 0.097 32.581 32.500 -0.027 0.000 0.729 321 K HN 0.580 nan 8.250 nan 0.000 0.451 322 R N -0.334 120.152 120.500 -0.023 0.000 2.634 322 R HA 0.202 4.542 4.340 -0.000 0.000 0.263 322 R C -2.067 174.229 176.300 -0.007 0.000 1.060 322 R CA -0.627 55.463 56.100 -0.017 0.000 0.898 322 R CB 1.777 32.070 30.300 -0.012 0.000 1.253 322 R HN -0.065 nan 8.270 nan 0.000 0.461 323 V N 0.293 120.204 119.914 -0.005 0.000 2.808 323 V HA 0.810 4.930 4.120 -0.000 0.000 0.308 323 V C -1.347 174.743 176.094 -0.007 0.000 1.099 323 V CA -0.684 61.615 62.300 -0.002 0.000 0.920 323 V CB 2.017 33.845 31.823 0.007 0.000 1.014 323 V HN 0.444 nan 8.190 nan 0.000 0.425 324 V N 5.910 125.814 119.914 -0.018 0.000 2.588 324 V HA 0.658 4.778 4.120 -0.000 0.000 0.304 324 V C -0.201 175.868 176.094 -0.043 0.000 1.042 324 V CA -0.425 61.866 62.300 -0.015 0.000 0.877 324 V CB 1.697 33.514 31.823 -0.010 0.000 0.996 324 V HN 1.050 nan 8.190 nan 0.000 0.425 325 I N 1.237 121.800 120.570 -0.011 0.000 2.498 325 I HA 0.694 4.864 4.170 -0.000 0.000 0.290 325 I C -0.489 175.637 176.117 0.015 0.000 1.032 325 I CA -0.567 60.708 61.300 -0.042 0.000 1.073 325 I CB 2.126 40.108 38.000 -0.031 0.000 1.251 325 I HN 0.436 nan 8.210 nan 0.000 0.426 326 N N 4.577 123.213 118.700 -0.107 0.000 2.620 326 N HA 0.229 4.969 4.740 -0.000 0.000 0.307 326 N C 0.625 175.819 175.510 -0.527 0.000 1.316 326 N CA -0.697 52.279 53.050 -0.124 0.000 0.931 326 N CB 0.720 39.145 38.487 -0.103 0.000 1.116 326 N HN 0.677 nan 8.380 nan 0.000 0.573 327 K N 0.125 120.251 120.400 -0.457 0.000 2.211 327 K HA -0.139 4.181 4.320 -0.000 0.000 0.203 327 K C -0.566 175.718 176.600 -0.528 0.000 1.050 327 K CA 1.686 57.564 56.287 -0.680 0.000 0.945 327 K CB -0.009 32.372 32.500 -0.198 0.000 0.732 327 K HN 0.605 nan 8.250 nan 0.000 0.451 328 D N -1.296 118.902 120.400 -0.336 0.000 2.996 328 D HA 0.113 4.753 4.640 -0.000 0.000 0.343 328 D C -1.007 175.176 176.300 -0.196 0.000 1.574 328 D CA -0.492 53.369 54.000 -0.231 0.000 0.773 328 D CB 0.716 41.431 40.800 -0.141 0.000 1.241 328 D HN -0.165 nan 8.370 nan 0.000 0.469 329 T N -0.271 114.136 114.554 -0.244 0.000 3.097 329 T HA 0.557 4.907 4.350 -0.000 0.000 0.332 329 T C -1.191 173.306 174.700 -0.338 0.000 1.269 329 T CA -0.450 61.495 62.100 -0.257 0.000 1.076 329 T CB 2.109 70.876 68.868 -0.169 0.000 1.209 329 T HN -0.071 nan 8.240 nan 0.000 0.474 330 T N 2.269 116.483 114.554 -0.568 0.000 2.809 330 T HA 0.619 4.969 4.350 -0.000 0.000 0.284 330 T C -0.471 173.927 174.700 -0.503 0.000 0.992 330 T CA -0.487 61.240 62.100 -0.622 0.000 0.957 330 T CB 1.561 69.805 68.868 -1.040 0.000 0.942 330 T HN 0.574 nan 8.240 nan 0.000 0.439 331 T N 3.997 118.421 114.554 -0.218 0.000 2.809 331 T HA 0.628 4.978 4.350 -0.000 0.000 0.284 331 T C -0.513 174.179 174.700 -0.014 0.000 0.992 331 T CA -0.667 61.381 62.100 -0.087 0.000 0.957 331 T CB 0.100 68.933 68.868 -0.058 0.000 0.942 331 T HN 0.481 nan 8.240 nan 0.000 0.439 332 I N 6.676 127.278 120.570 0.052 0.000 2.307 332 I HA 0.399 4.569 4.170 -0.000 0.000 0.289 332 I C -0.099 176.041 176.117 0.039 0.000 1.021 332 I CA -0.677 60.660 61.300 0.063 0.000 1.224 332 I CB 1.076 39.143 38.000 0.112 0.000 1.376 332 I HN 0.541 nan 8.210 nan 0.000 0.470 333 I N 5.930 126.511 120.570 0.019 0.000 2.315 333 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 333 I C -0.206 175.915 176.117 0.007 0.000 1.006 333 I CA -0.351 60.956 61.300 0.011 0.000 1.265 333 I CB 0.890 38.892 38.000 0.003 0.000 1.387 333 I HN 0.601 nan 8.210 nan 0.000 0.475 334 D N 5.021 125.426 120.400 0.008 0.000 3.620 334 D HA -0.115 4.525 4.640 -0.000 0.000 0.237 334 D C 0.148 176.450 176.300 0.003 0.000 1.111 334 D CA 0.912 54.914 54.000 0.003 0.000 1.070 334 D CB -0.171 40.627 40.800 -0.003 0.000 0.891 334 D HN 0.816 nan 8.370 nan 0.000 0.412 335 G N 0.919 109.725 108.800 0.009 0.000 2.476 335 G HA2 0.407 4.367 3.960 -0.000 0.000 0.269 335 G HA3 0.407 4.367 3.960 -0.000 0.000 0.269 335 G C 1.394 176.298 174.900 0.007 0.000 1.195 335 G CA -0.325 44.781 45.100 0.010 0.000 0.843 335 G HN 0.368 nan 8.290 nan 0.000 0.545 336 V N 2.027 121.945 119.914 0.008 0.000 2.548 336 V HA 0.002 4.122 4.120 -0.000 0.000 0.249 336 V C 2.287 178.388 176.094 0.012 0.000 1.055 336 V CA 1.167 63.472 62.300 0.009 0.000 1.065 336 V CB -1.269 30.564 31.823 0.016 0.000 0.681 336 V HN 0.889 nan 8.190 nan 0.000 0.462 337 G N 1.009 109.817 108.800 0.013 0.000 2.341 337 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.231 337 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.231 337 G C -0.104 174.800 174.900 0.007 0.000 1.206 337 G CA -0.098 45.008 45.100 0.010 0.000 0.865 337 G HN 0.575 nan 8.290 nan 0.000 0.515 338 E N 1.558 121.762 120.200 0.006 0.000 2.283 338 E HA 0.086 4.436 4.350 -0.000 0.000 0.278 338 E C 0.885 177.486 176.600 0.002 0.000 1.027 338 E CA -0.290 56.112 56.400 0.004 0.000 0.843 338 E CB 1.540 31.243 29.700 0.004 0.000 1.062 338 E HN 0.686 nan 8.360 nan 0.000 0.401 339 E N 1.785 121.986 120.200 0.002 0.000 2.284 339 E HA -0.287 4.063 4.350 -0.000 0.000 0.200 339 E C 1.699 178.299 176.600 -0.001 0.000 1.008 339 E CA 1.119 57.519 56.400 0.000 0.000 0.829 339 E CB -0.057 29.643 29.700 0.000 0.000 0.744 339 E HN 0.594 nan 8.360 nan 0.000 0.491 340 A N 1.529 124.349 122.820 -0.000 0.000 1.855 340 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 340 A C 2.421 180.004 177.584 -0.003 0.000 1.191 340 A CA 1.629 53.665 52.037 -0.001 0.000 0.613 340 A CB -0.706 18.294 19.000 -0.001 0.000 0.829 340 A HN 0.305 nan 8.150 nan 0.000 0.442 341 A N -0.125 122.694 122.820 -0.002 0.000 1.877 341 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 341 A C 2.156 179.737 177.584 -0.005 0.000 1.186 341 A CA 1.548 53.583 52.037 -0.004 0.000 0.620 341 A CB -0.656 18.343 19.000 -0.002 0.000 0.822 341 A HN 0.500 nan 8.150 nan 0.000 0.443 342 I N -0.995 119.573 120.570 -0.004 0.000 2.090 342 I HA -0.285 3.885 4.170 -0.000 0.000 0.236 342 I C 2.769 178.882 176.117 -0.006 0.000 1.064 342 I CA 1.889 63.186 61.300 -0.005 0.000 1.324 342 I CB -0.438 37.560 38.000 -0.002 0.000 1.044 342 I HN 0.357 nan 8.210 nan 0.000 0.399 343 Q N 1.365 121.162 119.800 -0.005 0.000 2.181 343 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 343 Q C 1.978 177.974 176.000 -0.007 0.000 0.980 343 Q CA 2.053 57.852 55.803 -0.005 0.000 0.862 343 Q CB -0.711 28.025 28.738 -0.004 0.000 0.905 343 Q HN 0.526 nan 8.270 nan 0.000 0.429 344 G N -0.302 108.493 108.800 -0.007 0.000 2.394 344 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.215 344 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.215 344 G C 1.552 176.445 174.900 -0.010 0.000 1.165 344 G CA 0.694 45.789 45.100 -0.008 0.000 0.784 344 G HN 0.357 nan 8.290 nan 0.000 0.535 345 R N 0.371 120.864 120.500 -0.012 0.000 2.096 345 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 345 R C 2.521 178.811 176.300 -0.016 0.000 1.127 345 R CA 1.482 57.573 56.100 -0.015 0.000 0.968 345 R CB -0.858 29.432 30.300 -0.016 0.000 0.861 345 R HN 0.204 nan 8.270 nan 0.000 0.440 346 V N 0.805 120.711 119.914 -0.014 0.000 2.332 346 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 346 V C 2.374 178.460 176.094 -0.014 0.000 1.055 346 V CA 1.992 64.284 62.300 -0.014 0.000 1.038 346 V CB -1.010 30.807 31.823 -0.010 0.000 0.651 346 V HN 0.561 nan 8.190 nan 0.000 0.450 347 A N -0.808 122.005 122.820 -0.012 0.000 1.902 347 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 347 A C 2.176 179.752 177.584 -0.013 0.000 1.181 347 A CA 1.985 54.016 52.037 -0.011 0.000 0.623 347 A CB -0.459 18.536 19.000 -0.009 0.000 0.818 347 A HN 0.647 nan 8.150 nan 0.000 0.443 348 Q N -0.360 119.431 119.800 -0.015 0.000 2.002 348 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 348 Q C 2.080 178.068 176.000 -0.019 0.000 0.988 348 Q CA 1.777 57.570 55.803 -0.016 0.000 0.843 348 Q CB -0.419 28.308 28.738 -0.018 0.000 0.908 348 Q HN 0.733 nan 8.270 nan 0.000 0.420 349 I N 0.375 120.932 120.570 -0.022 0.000 2.264 349 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 349 I C 2.559 178.661 176.117 -0.024 0.000 1.111 349 I CA 1.133 62.417 61.300 -0.027 0.000 1.382 349 I CB -0.312 37.670 38.000 -0.029 0.000 1.060 349 I HN 0.163 nan 8.210 nan 0.000 0.418 350 R N 0.669 121.157 120.500 -0.020 0.000 2.152 350 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 350 R C 2.282 178.572 176.300 -0.016 0.000 1.117 350 R CA 1.253 57.343 56.100 -0.017 0.000 0.981 350 R CB 0.005 30.297 30.300 -0.014 0.000 0.870 350 R HN 0.449 nan 8.270 nan 0.000 0.451 351 Q N -0.632 119.159 119.800 -0.015 0.000 2.137 351 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 351 Q C 2.003 177.993 176.000 -0.016 0.000 0.960 351 Q CA 0.826 56.621 55.803 -0.014 0.000 0.847 351 Q CB 0.214 28.945 28.738 -0.013 0.000 0.915 351 Q HN 0.424 nan 8.270 nan 0.000 0.448 352 Q N 0.523 120.311 119.800 -0.020 0.000 2.112 352 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 352 Q C 2.076 178.062 176.000 -0.023 0.000 0.987 352 Q CA 1.208 56.998 55.803 -0.023 0.000 0.858 352 Q CB -0.288 28.432 28.738 -0.030 0.000 0.905 352 Q HN 0.486 nan 8.270 nan 0.000 0.420 353 I N 1.040 121.596 120.570 -0.023 0.000 2.493 353 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 353 I C 2.160 178.268 176.117 -0.015 0.000 1.160 353 I CA 0.816 62.103 61.300 -0.022 0.000 1.445 353 I CB -0.245 37.742 38.000 -0.022 0.000 1.086 353 I HN 0.144 nan 8.210 nan 0.000 0.433 354 E N 1.196 121.388 120.200 -0.013 0.000 2.046 354 E HA -0.187 4.163 4.350 -0.000 0.000 0.190 354 E C 1.778 178.373 176.600 -0.008 0.000 0.982 354 E CA 1.174 57.568 56.400 -0.009 0.000 0.800 354 E CB -0.273 29.422 29.700 -0.009 0.000 0.756 354 E HN 0.605 nan 8.360 nan 0.000 0.449 355 E N 1.051 121.245 120.200 -0.010 0.000 2.482 355 E HA 0.132 4.482 4.350 -0.000 0.000 0.196 355 E C 0.406 177.001 176.600 -0.007 0.000 1.047 355 E CA -0.003 56.393 56.400 -0.008 0.000 0.869 355 E CB 0.146 29.840 29.700 -0.010 0.000 0.836 355 E HN 0.069 nan 8.360 nan 0.000 0.520 356 A N 1.742 124.556 122.820 -0.009 0.000 2.548 356 A HA 0.040 4.360 4.320 -0.000 0.000 0.247 356 A C 1.188 178.773 177.584 0.001 0.000 1.067 356 A CA 0.381 52.414 52.037 -0.007 0.000 0.757 356 A CB -0.066 18.926 19.000 -0.013 0.000 0.996 356 A HN 0.231 nan 8.150 nan 0.000 0.504 357 T N -0.650 113.908 114.554 0.007 0.000 3.092 357 T HA 0.403 4.753 4.350 -0.000 0.000 0.258 357 T C 0.403 175.116 174.700 0.021 0.000 1.031 357 T CA 0.394 62.501 62.100 0.011 0.000 0.925 357 T CB -0.204 68.670 68.868 0.010 0.000 1.036 357 T HN 0.916 nan 8.240 nan 0.000 0.544 358 S N -0.326 115.392 115.700 0.029 0.000 2.540 358 S HA 0.388 4.858 4.470 -0.000 0.000 0.275 358 S C -0.124 174.510 174.600 0.058 0.000 1.123 358 S CA -0.617 57.614 58.200 0.052 0.000 0.907 358 S CB 1.664 64.912 63.200 0.079 0.000 1.081 358 S HN 0.042 nan 8.310 nan 0.000 0.476 359 D N 1.986 122.428 120.400 0.071 0.000 2.144 359 D HA -0.087 4.553 4.640 -0.000 0.000 0.199 359 D C 1.295 177.650 176.300 0.091 0.000 0.984 359 D CA 1.407 55.447 54.000 0.066 0.000 0.834 359 D CB -0.238 40.602 40.800 0.068 0.000 0.955 359 D HN 0.694 nan 8.370 nan 0.000 0.465 360 Y N 2.075 122.377 120.300 0.002 0.000 2.114 360 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 360 Y C 1.562 177.460 175.900 -0.003 0.000 1.143 360 Y CA 1.843 59.945 58.100 0.003 0.000 1.135 360 Y CB -0.406 38.057 38.460 0.005 0.000 0.980 360 Y HN -0.115 nan 8.280 nan 0.000 0.499 361 D N -0.682 119.698 120.400 -0.034 0.000 2.144 361 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 361 D C 2.253 178.477 176.300 -0.126 0.000 0.984 361 D CA 1.461 55.388 54.000 -0.121 0.000 0.834 361 D CB -0.246 40.542 40.800 -0.020 0.000 0.955 361 D HN 0.267 nan 8.370 nan 0.000 0.465 362 R N 0.658 121.117 120.500 -0.068 0.000 2.073 362 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 362 R C 1.778 178.031 176.300 -0.078 0.000 1.134 362 R CA 1.159 57.226 56.100 -0.055 0.000 0.952 362 R CB 0.086 30.374 30.300 -0.021 0.000 0.850 362 R HN 0.105 nan 8.270 nan 0.000 0.433 363 E N 0.854 120.998 120.200 -0.094 0.000 2.058 363 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 363 E C 1.900 178.415 176.600 -0.141 0.000 0.997 363 E CA 1.060 57.402 56.400 -0.096 0.000 0.801 363 E CB -0.169 29.485 29.700 -0.077 0.000 0.746 363 E HN 0.220 nan 8.360 nan 0.000 0.450 364 K N 0.811 121.060 120.400 -0.252 0.000 2.103 364 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 364 K C 2.413 178.926 176.600 -0.145 0.000 1.048 364 K CA 0.680 56.822 56.287 -0.242 0.000 0.930 364 K CB -0.567 31.709 32.500 -0.374 0.000 0.716 364 K HN 0.203 nan 8.250 nan 0.000 0.444 365 L N 0.923 122.070 121.223 -0.126 0.000 2.093 365 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 365 L C 2.506 179.340 176.870 -0.061 0.000 1.085 365 L CA 1.087 55.877 54.840 -0.083 0.000 0.755 365 L CB -0.351 41.666 42.059 -0.070 0.000 0.904 365 L HN 0.235 nan 8.230 nan 0.000 0.435 366 Q N -0.179 119.586 119.800 -0.058 0.000 2.167 366 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 366 Q C 1.988 177.968 176.000 -0.034 0.000 0.970 366 Q CA 1.222 57.001 55.803 -0.039 0.000 0.855 366 Q CB -0.048 28.670 28.738 -0.033 0.000 0.911 366 Q HN 0.554 nan 8.270 nan 0.000 0.438 367 E N 0.637 120.812 120.200 -0.043 0.000 2.051 367 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 367 E C 2.092 178.678 176.600 -0.024 0.000 0.991 367 E CA 0.697 57.080 56.400 -0.029 0.000 0.799 367 E CB 0.028 29.707 29.700 -0.034 0.000 0.748 367 E HN 0.248 nan 8.360 nan 0.000 0.449 368 R N 0.484 120.962 120.500 -0.037 0.000 2.073 368 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 368 R C 2.729 179.014 176.300 -0.025 0.000 1.134 368 R CA 1.726 57.806 56.100 -0.034 0.000 0.952 368 R CB -0.753 29.519 30.300 -0.047 0.000 0.850 368 R HN 0.225 nan 8.270 nan 0.000 0.433 369 V N -1.319 118.580 119.914 -0.026 0.000 2.343 369 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 369 V C 2.368 178.455 176.094 -0.012 0.000 1.051 369 V CA 1.796 64.085 62.300 -0.019 0.000 1.036 369 V CB -1.115 30.696 31.823 -0.019 0.000 0.654 369 V HN 0.260 nan 8.190 nan 0.000 0.451 370 A N 0.524 123.338 122.820 -0.011 0.000 1.908 370 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 370 A C 2.356 179.940 177.584 0.001 0.000 1.181 370 A CA 2.316 54.350 52.037 -0.005 0.000 0.627 370 A CB -0.584 18.413 19.000 -0.005 0.000 0.818 370 A HN 0.629 nan 8.150 nan 0.000 0.445 371 K N -1.198 119.205 120.400 0.004 0.000 2.001 371 K HA -0.034 4.286 4.320 -0.000 0.000 0.208 371 K C 1.867 178.474 176.600 0.012 0.000 1.048 371 K CA 1.255 57.551 56.287 0.015 0.000 0.932 371 K CB -0.305 32.209 32.500 0.024 0.000 0.715 371 K HN 0.337 nan 8.250 nan 0.000 0.437 372 L N 0.391 121.615 121.223 0.002 0.000 2.201 372 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 372 L C 1.819 178.689 176.870 -0.000 0.000 1.105 372 L CA 1.508 56.347 54.840 -0.001 0.000 0.775 372 L CB -0.258 41.795 42.059 -0.011 0.000 0.913 372 L HN 0.117 nan 8.230 nan 0.000 0.440 373 A N -1.934 120.885 122.820 -0.001 0.000 2.197 373 A HA 0.340 4.660 4.320 -0.000 0.000 0.210 373 A C 2.140 179.725 177.584 0.001 0.000 1.180 373 A CA 0.515 52.551 52.037 -0.001 0.000 0.846 373 A CB -0.630 18.367 19.000 -0.004 0.000 0.884 373 A HN 0.396 nan 8.150 nan 0.000 0.487 374 G N -0.367 108.435 108.800 0.003 0.000 2.430 374 G HA2 0.371 4.331 3.960 -0.000 0.000 0.216 374 G HA3 0.371 4.331 3.960 -0.000 0.000 0.216 374 G C 1.165 176.069 174.900 0.006 0.000 1.146 374 G CA 0.713 45.816 45.100 0.004 0.000 0.793 374 G HN 1.590 nan 8.290 nan 0.000 0.537 375 G N -1.481 107.325 108.800 0.009 0.000 2.598 375 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.244 375 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.244 375 G C -0.619 174.287 174.900 0.011 0.000 1.302 375 G CA -0.142 44.964 45.100 0.010 0.000 0.903 375 G HN 1.081 nan 8.290 nan 0.000 0.575 376 V N 0.353 120.272 119.914 0.009 0.000 2.612 376 V HA 0.698 4.818 4.120 -0.000 0.000 0.301 376 V C 0.648 176.745 176.094 0.004 0.000 1.059 376 V CA -0.057 62.247 62.300 0.008 0.000 0.886 376 V CB 1.253 33.082 31.823 0.009 0.000 1.007 376 V HN 2.127 nan 8.190 nan 0.000 0.426 377 A N 4.585 127.406 122.820 0.003 0.000 2.366 377 A HA 0.733 5.053 4.320 -0.000 0.000 0.272 377 A C -0.412 177.173 177.584 0.002 0.000 1.135 377 A CA -0.249 51.789 52.037 0.002 0.000 0.804 377 A CB 0.732 19.733 19.000 0.001 0.000 1.064 377 A HN 0.787 nan 8.150 nan 0.000 0.499 378 V N 4.668 124.583 119.914 0.002 0.000 2.378 378 V HA 0.300 4.420 4.120 -0.000 0.000 0.288 378 V C -0.212 175.883 176.094 0.002 0.000 1.016 378 V CA -0.144 62.157 62.300 0.002 0.000 0.840 378 V CB 1.201 33.024 31.823 0.001 0.000 0.994 378 V HN 0.742 nan 8.190 nan 0.000 0.431 379 I N 5.176 125.748 120.570 0.002 0.000 2.304 379 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 379 I C 0.173 176.291 176.117 0.002 0.000 1.018 379 I CA -0.410 60.892 61.300 0.003 0.000 1.260 379 I CB 1.124 39.127 38.000 0.004 0.000 1.390 379 I HN 0.486 nan 8.210 nan 0.000 0.475 380 K N 6.088 126.489 120.400 0.001 0.000 2.316 380 K HA 0.417 4.737 4.320 -0.000 0.000 0.267 380 K C -0.699 175.901 176.600 0.001 0.000 1.025 380 K CA -0.639 55.648 56.287 0.001 0.000 0.896 380 K CB 1.769 34.269 32.500 -0.000 0.000 1.124 380 K HN 0.327 nan 8.250 nan 0.000 0.451 381 V N 2.867 122.782 119.914 0.001 0.000 2.655 381 V HA 0.010 4.130 4.120 -0.000 0.000 0.300 381 V C 1.492 177.587 176.094 0.001 0.000 1.044 381 V CA -0.085 62.216 62.300 0.001 0.000 1.095 381 V CB 0.714 32.538 31.823 0.002 0.000 0.952 381 V HN 0.955 nan 8.190 nan 0.000 0.485 382 G N 2.530 111.331 108.800 0.001 0.000 2.413 382 G HA2 0.407 4.367 3.960 -0.000 0.000 0.300 382 G HA3 0.407 4.367 3.960 -0.000 0.000 0.300 382 G C 0.366 175.266 174.900 -0.000 0.000 1.370 382 G CA 0.569 45.669 45.100 0.000 0.000 1.110 382 G HN 1.264 nan 8.290 nan 0.000 0.596 383 A N -2.959 119.861 122.820 -0.001 0.000 2.032 383 A HA 0.809 5.129 4.320 -0.000 0.000 0.169 383 A C 0.720 178.303 177.584 -0.001 0.000 1.369 383 A CA 1.149 53.186 52.037 -0.001 0.000 2.498 383 A CB -0.550 18.449 19.000 -0.001 0.000 2.850 383 A HN 2.594 nan 8.150 nan 0.000 1.174 384 A N -0.416 122.404 122.820 -0.001 0.000 2.753 384 A HA 0.518 4.838 4.320 -0.000 0.000 0.285 384 A C 1.049 178.632 177.584 -0.001 0.000 1.405 384 A CA 1.383 53.419 52.037 -0.001 0.000 0.727 384 A CB -2.627 16.372 19.000 -0.001 0.000 1.101 384 A HN 3.452 nan 8.150 nan 0.000 0.412 385 T N -2.719 111.835 114.554 -0.001 0.000 0.546 385 T HA -0.059 4.291 4.350 -0.000 0.000 0.773 385 T C 0.241 174.940 174.700 -0.001 0.000 0.992 385 T CA 1.282 63.381 62.100 -0.001 0.000 4.074 385 T CB -1.110 67.758 68.868 -0.001 0.000 2.301 385 T HN 1.888 nan 8.240 nan 0.000 0.398 386 E N 1.235 121.434 120.200 -0.001 0.000 2.160 386 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 386 E C 1.944 178.543 176.600 -0.001 0.000 0.991 386 E CA 2.072 58.471 56.400 -0.001 0.000 0.810 386 E CB -0.102 29.597 29.700 -0.001 0.000 0.742 386 E HN 0.658 nan 8.360 nan 0.000 0.466 387 V N 1.276 121.190 119.914 -0.001 0.000 2.244 387 V HA -0.247 3.873 4.120 -0.000 0.000 0.244 387 V C 2.151 178.244 176.094 -0.002 0.000 1.042 387 V CA 2.232 64.531 62.300 -0.002 0.000 1.006 387 V CB -0.638 31.184 31.823 -0.002 0.000 0.641 387 V HN 0.281 nan 8.190 nan 0.000 0.446 388 E N -0.253 119.946 120.200 -0.002 0.000 2.110 388 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 388 E C 2.195 178.794 176.600 -0.001 0.000 0.988 388 E CA 1.441 57.840 56.400 -0.002 0.000 0.804 388 E CB -0.269 29.430 29.700 -0.002 0.000 0.745 388 E HN 0.428 nan 8.360 nan 0.000 0.458 389 M N 1.204 120.803 119.600 -0.001 0.000 2.117 389 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 389 M C 1.656 177.956 176.300 -0.001 0.000 1.065 389 M CA 1.572 56.872 55.300 -0.001 0.000 1.114 389 M CB -0.168 32.431 32.600 -0.001 0.000 1.361 389 M HN -0.120 nan 8.290 nan 0.000 0.408 390 K N 0.292 120.692 120.400 -0.001 0.000 2.147 390 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 390 K C 1.885 178.484 176.600 -0.001 0.000 1.049 390 K CA 1.300 57.587 56.287 -0.001 0.000 0.936 390 K CB -0.515 31.985 32.500 -0.001 0.000 0.722 390 K HN 0.596 nan 8.250 nan 0.000 0.446 391 E N 1.384 121.583 120.200 -0.002 0.000 2.028 391 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 391 E C 2.074 178.673 176.600 -0.002 0.000 0.984 391 E CA 1.042 57.441 56.400 -0.003 0.000 0.800 391 E CB 0.069 29.767 29.700 -0.003 0.000 0.758 391 E HN 0.137 nan 8.360 nan 0.000 0.448 392 K N 1.031 121.430 120.400 -0.001 0.000 2.103 392 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 392 K C 2.257 178.858 176.600 0.001 0.000 1.048 392 K CA 1.617 57.904 56.287 -0.000 0.000 0.930 392 K CB -0.089 32.411 32.500 0.000 0.000 0.716 392 K HN -0.041 nan 8.250 nan 0.000 0.444 393 K N 0.035 120.436 120.400 0.001 0.000 2.103 393 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 393 K C 1.879 178.481 176.600 0.003 0.000 1.048 393 K CA 1.262 57.551 56.287 0.002 0.000 0.930 393 K CB -0.148 32.353 32.500 0.002 0.000 0.716 393 K HN 0.233 nan 8.250 nan 0.000 0.444 394 A N 1.246 124.066 122.820 0.000 0.000 1.930 394 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 394 A C 2.061 179.644 177.584 -0.001 0.000 1.175 394 A CA 1.147 53.183 52.037 -0.002 0.000 0.627 394 A CB -0.362 18.635 19.000 -0.006 0.000 0.815 394 A HN 0.296 nan 8.150 nan 0.000 0.443 395 R N -0.654 119.846 120.500 0.000 0.000 2.066 395 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 395 R C 2.052 178.357 176.300 0.008 0.000 1.131 395 R CA 1.467 57.568 56.100 0.002 0.000 0.955 395 R CB -0.570 29.731 30.300 0.001 0.000 0.851 395 R HN 0.382 nan 8.270 nan 0.000 0.432 396 V N 1.423 121.343 119.914 0.009 0.000 2.332 396 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 396 V C 2.029 178.136 176.094 0.021 0.000 1.055 396 V CA 1.838 64.145 62.300 0.013 0.000 1.038 396 V CB -0.463 31.366 31.823 0.010 0.000 0.651 396 V HN 0.367 nan 8.190 nan 0.000 0.450 397 E N -0.172 120.040 120.200 0.020 0.000 2.051 397 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 397 E C 2.035 178.665 176.600 0.050 0.000 0.991 397 E CA 1.540 57.959 56.400 0.031 0.000 0.799 397 E CB -0.174 29.537 29.700 0.018 0.000 0.748 397 E HN 0.626 nan 8.360 nan 0.000 0.449 398 D N 0.317 120.734 120.400 0.028 0.000 2.097 398 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 398 D C 1.962 178.301 176.300 0.065 0.000 0.984 398 D CA 1.223 55.241 54.000 0.030 0.000 0.826 398 D CB -0.275 40.523 40.800 -0.003 0.000 0.973 398 D HN 0.132 nan 8.370 nan 0.000 0.460 399 A N 1.219 124.065 122.820 0.042 0.000 1.917 399 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 399 A C 2.210 179.824 177.584 0.049 0.000 1.182 399 A CA 1.278 53.339 52.037 0.039 0.000 0.633 399 A CB -0.827 18.187 19.000 0.023 0.000 0.819 399 A HN 0.246 nan 8.150 nan 0.000 0.448 400 L N -0.769 120.485 121.223 0.051 0.000 2.012 400 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 400 L C 2.415 179.317 176.870 0.053 0.000 1.073 400 L CA 2.771 57.636 54.840 0.042 0.000 0.748 400 L CB -0.855 41.226 42.059 0.037 0.000 0.891 400 L HN 0.633 nan 8.230 nan 0.000 0.431 401 H N -0.330 118.738 119.070 -0.002 0.000 2.352 401 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 401 H C 1.924 177.252 175.328 -0.000 0.000 1.097 401 H CA 1.741 57.788 56.048 -0.002 0.000 1.311 401 H CB 0.140 29.900 29.762 -0.003 0.000 1.377 401 H HN 0.494 nan 8.280 nan 0.000 0.504 402 A N -0.054 122.864 122.820 0.163 0.000 1.873 402 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 402 A C 2.675 180.275 177.584 0.027 0.000 1.186 402 A CA 2.008 54.106 52.037 0.103 0.000 0.616 402 A CB -0.995 18.055 19.000 0.083 0.000 0.823 402 A HN 0.513 nan 8.150 nan 0.000 0.442 403 T N -0.502 114.062 114.554 0.017 0.000 2.788 403 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 403 T C 2.143 176.830 174.700 -0.023 0.000 1.044 403 T CA 1.324 63.424 62.100 -0.000 0.000 1.139 403 T CB -0.249 68.621 68.868 0.003 0.000 0.867 403 T HN 0.307 nan 8.240 nan 0.000 0.454 404 R N 1.580 122.050 120.500 -0.050 0.000 2.081 404 R HA 0.069 4.409 4.340 -0.000 0.000 0.235 404 R C 2.533 178.784 176.300 -0.082 0.000 1.131 404 R CA 1.842 57.895 56.100 -0.079 0.000 0.960 404 R CB -1.095 29.125 30.300 -0.134 0.000 0.856 404 R HN 0.425 nan 8.270 nan 0.000 0.436 405 A N 0.371 123.133 122.820 -0.098 0.000 1.902 405 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 405 A C 2.385 179.953 177.584 -0.025 0.000 1.181 405 A CA 1.890 53.888 52.037 -0.065 0.000 0.623 405 A CB -0.771 18.203 19.000 -0.043 0.000 0.818 405 A HN 0.424 nan 8.150 nan 0.000 0.443 406 A N -0.586 122.225 122.820 -0.014 0.000 1.902 406 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 406 A C 2.221 179.800 177.584 -0.007 0.000 1.181 406 A CA 1.813 53.848 52.037 -0.003 0.000 0.623 406 A CB -0.968 18.033 19.000 0.002 0.000 0.818 406 A HN 0.397 nan 8.150 nan 0.000 0.443 407 V N 0.108 120.014 119.914 -0.014 0.000 2.407 407 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 407 V C 2.421 178.508 176.094 -0.012 0.000 1.055 407 V CA 2.353 64.646 62.300 -0.012 0.000 1.049 407 V CB -0.762 31.051 31.823 -0.016 0.000 0.662 407 V HN 0.658 nan 8.190 nan 0.000 0.455 408 E N -0.255 119.935 120.200 -0.017 0.000 2.047 408 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 408 E C 1.572 178.168 176.600 -0.006 0.000 0.987 408 E CA 1.364 57.756 56.400 -0.013 0.000 0.799 408 E CB 0.007 29.696 29.700 -0.019 0.000 0.752 408 E HN 0.661 nan 8.360 nan 0.000 0.449 409 E N -0.697 119.501 120.200 -0.004 0.000 2.759 409 E HA 0.238 4.588 4.350 -0.000 0.000 0.220 409 E C 0.121 176.723 176.600 0.003 0.000 0.974 409 E CA 0.072 56.472 56.400 0.000 0.000 1.148 409 E CB 1.628 31.329 29.700 0.002 0.000 1.059 409 E HN 0.233 nan 8.360 nan 0.000 0.493 410 G N 1.154 109.955 108.800 0.002 0.000 2.725 410 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 410 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 410 G C -0.305 174.600 174.900 0.008 0.000 1.357 410 G CA -0.480 44.623 45.100 0.005 0.000 0.866 410 G HN 0.497 nan 8.290 nan 0.000 0.548 411 V N -2.735 117.185 119.914 0.009 0.000 3.001 411 V HA 0.986 5.106 4.120 -0.000 0.000 0.314 411 V C 0.581 176.683 176.094 0.013 0.000 1.099 411 V CA 0.053 62.361 62.300 0.012 0.000 0.989 411 V CB 1.343 33.173 31.823 0.011 0.000 1.040 411 V HN 2.440 nan 8.190 nan 0.000 0.434 412 V N -0.939 118.985 119.914 0.015 0.000 3.160 412 V HA 1.015 5.135 4.120 -0.000 0.000 0.310 412 V C 0.472 176.576 176.094 0.017 0.000 1.181 412 V CA -0.710 61.601 62.300 0.017 0.000 1.047 412 V CB 1.221 33.054 31.823 0.018 0.000 1.068 412 V HN 2.031 nan 8.190 nan 0.000 0.441 413 A N 0.709 123.542 122.820 0.021 0.000 2.540 413 A HA 0.645 4.965 4.320 -0.000 0.000 0.239 413 A C 0.837 178.430 177.584 0.015 0.000 1.061 413 A CA 0.684 52.733 52.037 0.019 0.000 0.758 413 A CB -0.428 18.587 19.000 0.026 0.000 0.991 413 A HN 1.949 nan 8.150 nan 0.000 0.502 414 G N 0.211 109.016 108.800 0.009 0.000 2.543 414 G HA2 0.533 4.493 3.960 -0.000 0.000 0.267 414 G HA3 0.533 4.493 3.960 -0.000 0.000 0.267 414 G C 1.083 175.987 174.900 0.006 0.000 1.406 414 G CA -0.092 45.013 45.100 0.007 0.000 1.048 414 G HN 2.248 nan 8.290 nan 0.000 0.548 415 G N -2.033 106.770 108.800 0.005 0.000 2.225 415 G HA2 0.210 4.170 3.960 -0.000 0.000 0.267 415 G HA3 0.210 4.170 3.960 -0.000 0.000 0.267 415 G C 1.519 176.431 174.900 0.021 0.000 1.024 415 G CA 1.204 46.310 45.100 0.011 0.000 0.784 415 G HN 2.474 nan 8.290 nan 0.000 0.507 416 G N -2.368 106.444 108.800 0.019 0.000 2.189 416 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.267 416 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.267 416 G C 1.903 176.818 174.900 0.025 0.000 0.975 416 G CA 1.934 47.047 45.100 0.021 0.000 0.644 416 G HN 2.217 nan 8.290 nan 0.000 0.537 417 V N -0.793 119.138 119.914 0.027 0.000 2.667 417 V HA 0.371 4.491 4.120 -0.000 0.000 0.252 417 V C 2.739 178.855 176.094 0.036 0.000 1.065 417 V CA 2.097 64.418 62.300 0.036 0.000 1.083 417 V CB -0.462 31.385 31.823 0.039 0.000 0.692 417 V HN 1.382 nan 8.190 nan 0.000 0.468 418 A N 0.738 123.575 122.820 0.029 0.000 1.883 418 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 418 A C 2.215 179.814 177.584 0.026 0.000 1.186 418 A CA 2.279 54.332 52.037 0.027 0.000 0.624 418 A CB -0.771 18.243 19.000 0.023 0.000 0.822 418 A HN 0.597 nan 8.150 nan 0.000 0.444 419 L N -0.713 120.524 121.223 0.023 0.000 2.131 419 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 419 L C 2.452 179.336 176.870 0.023 0.000 1.092 419 L CA 0.957 55.809 54.840 0.021 0.000 0.759 419 L CB -0.389 41.681 42.059 0.019 0.000 0.903 419 L HN 0.401 nan 8.230 nan 0.000 0.435 420 I N -0.816 119.770 120.570 0.028 0.000 2.315 420 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 420 I C 2.618 178.756 176.117 0.035 0.000 1.117 420 I CA 0.775 62.094 61.300 0.032 0.000 1.404 420 I CB -0.184 37.841 38.000 0.040 0.000 1.071 420 I HN 0.252 nan 8.210 nan 0.000 0.419 421 R N 0.186 120.709 120.500 0.038 0.000 2.115 421 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 421 R C 2.214 178.530 176.300 0.028 0.000 1.111 421 R CA 0.930 57.053 56.100 0.038 0.000 0.976 421 R CB -0.902 29.424 30.300 0.042 0.000 0.870 421 R HN 0.254 nan 8.270 nan 0.000 0.445 422 V N 1.320 121.248 119.914 0.023 0.000 2.358 422 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 422 V C 2.537 178.640 176.094 0.015 0.000 1.047 422 V CA 1.787 64.097 62.300 0.017 0.000 1.035 422 V CB -0.810 31.021 31.823 0.014 0.000 0.658 422 V HN 0.292 nan 8.190 nan 0.000 0.452 423 A N 0.856 123.686 122.820 0.017 0.000 1.883 423 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 423 A C 2.552 180.145 177.584 0.015 0.000 1.186 423 A CA 2.444 54.489 52.037 0.014 0.000 0.624 423 A CB -0.875 18.134 19.000 0.015 0.000 0.822 423 A HN 0.695 nan 8.150 nan 0.000 0.444 424 S N -0.099 115.612 115.700 0.019 0.000 2.419 424 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 424 S C 1.683 176.292 174.600 0.014 0.000 1.016 424 S CA 1.474 59.685 58.200 0.018 0.000 0.974 424 S CB -0.369 62.845 63.200 0.023 0.000 0.786 424 S HN 0.612 nan 8.310 nan 0.000 0.492 425 K N 0.745 121.154 120.400 0.014 0.000 2.432 425 K HA 0.222 4.542 4.320 -0.000 0.000 0.196 425 K C 1.075 177.680 176.600 0.008 0.000 1.038 425 K CA 0.558 56.852 56.287 0.011 0.000 0.986 425 K CB -0.197 32.310 32.500 0.012 0.000 0.782 425 K HN 0.453 nan 8.250 nan 0.000 0.485 426 L N -0.146 121.082 121.223 0.008 0.000 2.700 426 L HA 0.218 4.557 4.340 -0.000 0.000 0.234 426 L C 1.851 178.724 176.870 0.006 0.000 1.156 426 L CA -0.188 54.656 54.840 0.006 0.000 0.946 426 L CB -0.082 41.980 42.059 0.005 0.000 1.216 426 L HN 0.024 nan 8.230 nan 0.000 0.493 427 A N 0.214 123.038 122.820 0.006 0.000 2.084 427 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 427 A C 1.582 179.169 177.584 0.004 0.000 1.161 427 A CA 1.759 53.799 52.037 0.006 0.000 0.653 427 A CB -0.221 18.783 19.000 0.006 0.000 0.802 427 A HN 0.367 nan 8.150 nan 0.000 0.457 428 D N -1.292 119.110 120.400 0.004 0.000 2.369 428 D HA 0.172 4.812 4.640 -0.000 0.000 0.211 428 D C 0.133 176.434 176.300 0.002 0.000 1.077 428 D CA -0.286 53.715 54.000 0.003 0.000 0.842 428 D CB 0.020 40.821 40.800 0.002 0.000 0.947 428 D HN 0.334 nan 8.370 nan 0.000 0.509 429 L N 1.808 123.032 121.223 0.002 0.000 2.490 429 L HA 0.098 4.438 4.340 -0.000 0.000 0.274 429 L C 0.113 176.984 176.870 0.001 0.000 1.201 429 L CA 0.646 55.487 54.840 0.002 0.000 0.869 429 L CB 0.166 42.226 42.059 0.002 0.000 1.123 429 L HN -0.210 nan 8.230 nan 0.000 0.484 430 R N 2.917 123.418 120.500 0.001 0.000 2.808 430 R HA 0.678 5.018 4.340 -0.000 0.000 0.272 430 R C -0.254 176.046 176.300 0.001 0.000 0.995 430 R CA -0.314 55.786 56.100 0.001 0.000 0.917 430 R CB 1.527 31.828 30.300 0.001 0.000 1.217 430 R HN 0.819 nan 8.270 nan 0.000 0.471 431 G N -0.294 108.506 108.800 0.001 0.000 2.990 431 G HA2 0.213 4.173 3.960 -0.000 0.000 0.208 431 G HA3 0.213 4.173 3.960 -0.000 0.000 0.208 431 G C 0.080 174.980 174.900 0.001 0.000 1.334 431 G CA -0.239 44.861 45.100 0.000 0.000 1.024 431 G HN 0.416 nan 8.290 nan 0.000 0.574 432 Q N -0.514 119.286 119.800 0.001 0.000 2.389 432 Q HA 0.101 4.441 4.340 -0.000 0.000 0.204 432 Q C 0.009 176.010 176.000 0.001 0.000 0.944 432 Q CA 0.893 56.696 55.803 0.001 0.000 0.908 432 Q CB 0.066 28.804 28.738 0.001 0.000 1.002 432 Q HN 0.617 nan 8.270 nan 0.000 0.493 433 N N -3.063 115.638 118.700 0.001 0.000 3.020 433 N HA 0.352 5.092 4.740 -0.000 0.000 0.248 433 N C -0.204 175.306 175.510 0.001 0.000 1.480 433 N CA -0.067 52.983 53.050 0.001 0.000 0.874 433 N CB 0.192 38.680 38.487 0.001 0.000 1.433 433 N HN -0.148 nan 8.380 nan 0.000 0.530 434 A N -0.210 122.611 122.820 0.001 0.000 1.908 434 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 434 A C 1.281 178.867 177.584 0.002 0.000 1.181 434 A CA 2.056 54.094 52.037 0.002 0.000 0.627 434 A CB -1.037 17.964 19.000 0.001 0.000 0.818 434 A HN 0.742 nan 8.150 nan 0.000 0.445 435 D N -0.508 119.893 120.400 0.002 0.000 2.123 435 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 435 D C 2.177 178.479 176.300 0.003 0.000 0.992 435 D CA 1.475 55.477 54.000 0.003 0.000 0.833 435 D CB -0.388 40.414 40.800 0.003 0.000 0.954 435 D HN 0.635 nan 8.370 nan 0.000 0.455 436 Q N -0.014 119.787 119.800 0.002 0.000 2.119 436 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 436 Q C 1.780 177.781 176.000 0.002 0.000 0.972 436 Q CA 0.681 56.486 55.803 0.002 0.000 0.847 436 Q CB 0.028 28.767 28.738 0.002 0.000 0.903 436 Q HN 0.245 nan 8.270 nan 0.000 0.433 437 N N -0.006 118.696 118.700 0.002 0.000 2.166 437 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 437 N C 1.817 177.328 175.510 0.002 0.000 1.019 437 N CA 0.930 53.981 53.050 0.002 0.000 0.856 437 N CB -0.244 38.244 38.487 0.002 0.000 0.993 437 N HN 0.048 nan 8.380 nan 0.000 0.426 438 V N 0.823 120.738 119.914 0.003 0.000 2.343 438 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 438 V C 2.443 178.539 176.094 0.003 0.000 1.051 438 V CA 1.960 64.262 62.300 0.003 0.000 1.036 438 V CB -1.233 30.592 31.823 0.003 0.000 0.654 438 V HN 0.329 nan 8.190 nan 0.000 0.451 439 G N -0.020 108.782 108.800 0.003 0.000 2.440 439 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 439 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 439 G C 1.585 176.487 174.900 0.003 0.000 1.154 439 G CA 1.121 46.223 45.100 0.003 0.000 0.767 439 G HN 0.486 nan 8.290 nan 0.000 0.552 440 I N 0.314 120.885 120.570 0.002 0.000 2.179 440 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 440 I C 2.692 178.811 176.117 0.003 0.000 1.088 440 I CA 1.077 62.378 61.300 0.002 0.000 1.357 440 I CB -0.080 37.921 38.000 0.002 0.000 1.051 440 I HN 0.016 nan 8.210 nan 0.000 0.409 441 K N 0.448 120.850 120.400 0.003 0.000 2.148 441 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 441 K C 2.130 178.733 176.600 0.005 0.000 1.050 441 K CA 0.930 57.220 56.287 0.004 0.000 0.942 441 K CB -0.661 31.841 32.500 0.004 0.000 0.724 441 K HN 0.210 nan 8.250 nan 0.000 0.446 442 V N 1.760 121.677 119.914 0.005 0.000 2.287 442 V HA -0.276 3.843 4.120 -0.000 0.000 0.248 442 V C 2.481 178.579 176.094 0.006 0.000 1.053 442 V CA 2.131 64.434 62.300 0.005 0.000 1.027 442 V CB -0.790 31.037 31.823 0.006 0.000 0.646 442 V HN 0.305 nan 8.190 nan 0.000 0.447 443 A N -0.398 122.425 122.820 0.005 0.000 1.898 443 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 443 A C 2.180 179.768 177.584 0.006 0.000 1.181 443 A CA 1.654 53.694 52.037 0.005 0.000 0.620 443 A CB -0.522 18.480 19.000 0.003 0.000 0.819 443 A HN 0.506 nan 8.150 nan 0.000 0.442 444 L N -1.291 119.935 121.223 0.006 0.000 2.131 444 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 444 L C 2.804 179.679 176.870 0.009 0.000 1.092 444 L CA 1.582 56.426 54.840 0.007 0.000 0.759 444 L CB -0.505 41.559 42.059 0.007 0.000 0.903 444 L HN 0.424 nan 8.230 nan 0.000 0.435 445 R N 0.240 120.745 120.500 0.008 0.000 2.073 445 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 445 R C 2.413 178.718 176.300 0.008 0.000 1.120 445 R CA 1.240 57.344 56.100 0.007 0.000 0.967 445 R CB -0.205 30.099 30.300 0.006 0.000 0.862 445 R HN 0.318 nan 8.270 nan 0.000 0.436 446 A N 0.651 123.476 122.820 0.008 0.000 2.024 446 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 446 A C 2.055 179.645 177.584 0.011 0.000 1.164 446 A CA 1.364 53.407 52.037 0.009 0.000 0.643 446 A CB -0.422 18.585 19.000 0.010 0.000 0.806 446 A HN 0.330 nan 8.150 nan 0.000 0.451 447 M N -0.704 118.903 119.600 0.011 0.000 2.539 447 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 447 M C 1.423 177.731 176.300 0.014 0.000 1.069 447 M CA 1.131 56.439 55.300 0.013 0.000 1.081 447 M CB -0.225 32.383 32.600 0.013 0.000 1.412 447 M HN 0.488 nan 8.290 nan 0.000 0.482 448 E N -0.098 120.109 120.200 0.012 0.000 2.400 448 E HA 0.052 4.402 4.350 -0.000 0.000 0.195 448 E C 2.058 178.663 176.600 0.008 0.000 1.012 448 E CA 0.406 56.813 56.400 0.011 0.000 0.875 448 E CB 0.098 29.804 29.700 0.010 0.000 0.859 448 E HN 0.469 nan 8.360 nan 0.000 0.498 449 A N 2.448 125.273 122.820 0.008 0.000 1.917 449 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 449 A C -0.324 177.264 177.584 0.006 0.000 1.182 449 A CA 1.367 53.408 52.037 0.006 0.000 0.633 449 A CB -1.373 17.632 19.000 0.008 0.000 0.819 449 A HN 0.130 nan 8.150 nan 0.000 0.448 450 P HA -0.152 nan 4.420 nan 0.000 0.214 450 P C 1.840 179.146 177.300 0.010 0.000 1.163 450 P CA 0.988 64.095 63.100 0.011 0.000 0.883 450 P CB -0.132 31.577 31.700 0.015 0.000 0.788 451 L N -0.664 120.565 121.223 0.010 0.000 2.042 451 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 451 L C 2.437 179.302 176.870 -0.008 0.000 1.076 451 L CA 1.798 56.643 54.840 0.008 0.000 0.749 451 L CB -0.307 41.759 42.059 0.010 0.000 0.893 451 L HN -0.186 nan 8.230 nan 0.000 0.432 452 R N -0.852 119.641 120.500 -0.012 0.000 2.096 452 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 452 R C 2.327 178.616 176.300 -0.018 0.000 1.127 452 R CA 1.698 57.784 56.100 -0.023 0.000 0.968 452 R CB -0.306 29.985 30.300 -0.015 0.000 0.861 452 R HN 0.394 nan 8.270 nan 0.000 0.440 453 Q N 0.931 120.727 119.800 -0.007 0.000 2.123 453 Q HA -0.046 4.294 4.340 -0.000 0.000 0.199 453 Q C 1.801 177.801 176.000 0.001 0.000 0.966 453 Q CA 1.426 57.227 55.803 -0.003 0.000 0.845 453 Q CB -0.075 28.664 28.738 0.001 0.000 0.907 453 Q HN 0.332 nan 8.270 nan 0.000 0.439 454 I N -0.732 119.842 120.570 0.007 0.000 2.208 454 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 454 I C 1.983 178.116 176.117 0.027 0.000 1.097 454 I CA 0.908 62.219 61.300 0.020 0.000 1.363 454 I CB -0.219 37.800 38.000 0.032 0.000 1.051 454 I HN 0.069 nan 8.210 nan 0.000 0.413 455 V N 0.442 120.357 119.914 0.002 0.000 2.358 455 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 455 V C 2.354 178.434 176.094 -0.023 0.000 1.047 455 V CA 1.535 63.814 62.300 -0.035 0.000 1.035 455 V CB -0.472 31.259 31.823 -0.152 0.000 0.658 455 V HN 0.342 nan 8.190 nan 0.000 0.452 456 L N 0.886 122.096 121.223 -0.022 0.000 2.042 456 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 456 L C 2.149 179.018 176.870 -0.002 0.000 1.076 456 L CA 1.950 56.782 54.840 -0.014 0.000 0.749 456 L CB -0.903 41.149 42.059 -0.012 0.000 0.893 456 L HN 0.331 nan 8.230 nan 0.000 0.432 457 N N -1.332 117.370 118.700 0.004 0.000 2.381 457 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 457 N C 1.759 177.276 175.510 0.013 0.000 1.025 457 N CA 1.450 54.504 53.050 0.007 0.000 0.888 457 N CB -0.682 37.809 38.487 0.007 0.000 0.965 457 N HN 0.422 nan 8.380 nan 0.000 0.438 458 C N -0.672 118.643 119.300 0.025 0.000 2.481 458 C HA 0.201 4.661 4.460 -0.000 0.000 0.275 458 C C 1.764 176.771 174.990 0.028 0.000 1.419 458 C CA 0.598 59.639 59.018 0.038 0.000 1.773 458 C CB -1.103 26.691 27.740 0.090 0.000 1.862 458 C HN 0.638 nan 8.230 nan 0.000 0.530 459 G N 0.448 109.257 108.800 0.015 0.000 2.141 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.231 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.231 459 G C -0.150 174.754 174.900 0.007 0.000 0.984 459 G CA 0.169 45.275 45.100 0.010 0.000 0.660 459 G HN 0.478 nan 8.290 nan 0.000 0.525 460 E N 0.267 120.466 120.200 -0.001 0.000 2.504 460 E HA 0.472 4.822 4.350 -0.000 0.000 0.253 460 E C 0.165 176.738 176.600 -0.045 0.000 1.151 460 E CA -0.663 55.723 56.400 -0.023 0.000 0.972 460 E CB 0.507 30.178 29.700 -0.049 0.000 1.247 460 E HN 0.487 nan 8.360 nan 0.000 0.519 461 E N 1.472 121.638 120.200 -0.058 0.000 2.044 461 E HA 0.144 4.494 4.350 -0.000 0.000 0.282 461 E C -1.790 174.764 176.600 -0.076 0.000 1.031 461 E CA -1.634 54.736 56.400 -0.050 0.000 0.824 461 E CB 1.027 30.710 29.700 -0.028 0.000 1.076 461 E HN 0.120 nan 8.360 nan 0.000 0.395 462 P HA -0.249 nan 4.420 nan 0.000 0.216 462 P C 1.152 178.420 177.300 -0.053 0.000 1.167 462 P CA 1.360 64.421 63.100 -0.066 0.000 0.914 462 P CB 0.289 31.966 31.700 -0.039 0.000 0.793 463 S N -1.106 114.575 115.700 -0.032 0.000 2.382 463 S HA -0.103 4.367 4.470 -0.000 0.000 0.228 463 S C 1.982 176.574 174.600 -0.014 0.000 1.027 463 S CA 1.152 59.341 58.200 -0.018 0.000 0.991 463 S CB -1.124 62.070 63.200 -0.011 0.000 0.823 463 S HN -0.064 nan 8.310 nan 0.000 0.469 464 V N 1.364 121.267 119.914 -0.019 0.000 2.261 464 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 464 V C 2.317 178.417 176.094 0.010 0.000 1.047 464 V CA 1.507 63.805 62.300 -0.003 0.000 1.015 464 V CB -0.756 31.067 31.823 0.001 0.000 0.642 464 V HN 0.335 nan 8.190 nan 0.000 0.446 465 V N 0.324 120.212 119.914 -0.043 0.000 2.295 465 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 465 V C 2.725 178.826 176.094 0.012 0.000 1.049 465 V CA 2.001 64.267 62.300 -0.057 0.000 1.024 465 V CB -1.190 30.385 31.823 -0.413 0.000 0.648 465 V HN 0.553 nan 8.190 nan 0.000 0.447 466 A N 0.362 123.170 122.820 -0.020 0.000 1.908 466 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 466 A C 2.063 179.671 177.584 0.040 0.000 1.181 466 A CA 2.419 54.463 52.037 0.012 0.000 0.627 466 A CB -0.889 18.109 19.000 -0.002 0.000 0.818 466 A HN 0.623 nan 8.150 nan 0.000 0.445 467 N N -0.704 118.014 118.700 0.030 0.000 2.120 467 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 467 N C 1.684 177.222 175.510 0.048 0.000 1.024 467 N CA 2.265 55.333 53.050 0.031 0.000 0.852 467 N CB -0.326 38.170 38.487 0.016 0.000 1.003 467 N HN 0.405 nan 8.380 nan 0.000 0.424 468 T N -0.578 114.015 114.554 0.065 0.000 2.777 468 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 468 T C 1.959 176.770 174.700 0.184 0.000 1.040 468 T CA 1.172 63.308 62.100 0.060 0.000 1.141 468 T CB -0.413 68.431 68.868 -0.041 0.000 0.868 468 T HN 0.010 nan 8.240 nan 0.000 0.444 469 V N 1.642 121.695 119.914 0.232 0.000 2.343 469 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 469 V C 2.458 178.682 176.094 0.216 0.000 1.051 469 V CA 1.531 63.989 62.300 0.264 0.000 1.036 469 V CB -0.481 31.439 31.823 0.162 0.000 0.654 469 V HN 0.467 nan 8.190 nan 0.000 0.451 470 K N 0.160 120.636 120.400 0.127 0.000 2.211 470 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 470 K C 2.132 178.775 176.600 0.071 0.000 1.050 470 K CA 1.268 57.607 56.287 0.086 0.000 0.945 470 K CB -0.445 32.087 32.500 0.053 0.000 0.732 470 K HN 0.573 nan 8.250 nan 0.000 0.451 471 G N 0.969 109.809 108.800 0.067 0.000 2.511 471 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.217 471 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.217 471 G C 0.825 175.720 174.900 -0.009 0.000 1.133 471 G CA 0.531 45.641 45.100 0.017 0.000 0.792 471 G HN 0.346 nan 8.290 nan 0.000 0.539 472 G N -0.531 108.304 108.800 0.059 0.000 2.504 472 G HA2 0.452 4.412 3.960 -0.000 0.000 0.257 472 G HA3 0.452 4.412 3.960 -0.000 0.000 0.257 472 G C -0.756 174.172 174.900 0.046 0.000 1.451 472 G CA 0.374 45.447 45.100 -0.045 0.000 1.059 472 G HN 0.338 nan 8.290 nan 0.000 0.550 473 D N -3.175 117.275 120.400 0.082 0.000 2.683 473 D HA 0.432 5.072 4.640 -0.000 0.000 0.246 473 D C 0.572 176.938 176.300 0.111 0.000 1.238 473 D CA 0.799 54.847 54.000 0.079 0.000 0.759 473 D CB 0.977 41.787 40.800 0.015 0.000 1.349 473 D HN 1.706 nan 8.370 nan 0.000 0.426 474 G N 2.511 111.363 108.800 0.086 0.000 2.583 474 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.292 474 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.292 474 G C 0.588 175.552 174.900 0.106 0.000 1.203 474 G CA 0.573 45.722 45.100 0.081 0.000 0.987 474 G HN 0.695 nan 8.290 nan 0.000 0.554 475 N N 0.013 118.777 118.700 0.108 0.000 2.449 475 N HA 0.212 4.952 4.740 -0.000 0.000 0.191 475 N C 0.327 175.924 175.510 0.145 0.000 1.161 475 N CA -0.008 53.103 53.050 0.101 0.000 0.863 475 N CB 0.135 38.667 38.487 0.074 0.000 0.980 475 N HN 0.464 nan 8.380 nan 0.000 0.458 476 Y N 1.491 121.825 120.300 0.057 0.000 2.544 476 Y HA 0.356 4.906 4.550 -0.000 0.000 0.330 476 Y C 0.680 176.650 175.900 0.118 0.000 1.136 476 Y CA 0.041 58.192 58.100 0.084 0.000 1.417 476 Y CB 0.136 38.639 38.460 0.072 0.000 1.229 476 Y HN -0.009 nan 8.280 nan 0.000 0.532 477 G N 4.087 112.666 108.800 -0.368 0.000 2.682 477 G HA2 0.273 4.233 3.960 -0.000 0.000 0.303 477 G HA3 0.273 4.233 3.960 -0.000 0.000 0.303 477 G C -2.483 172.294 174.900 -0.206 0.000 1.341 477 G CA -0.923 44.049 45.100 -0.213 0.000 0.784 477 G HN 0.508 nan 8.290 nan 0.000 0.497 478 Y N 1.425 121.564 120.300 -0.268 0.000 2.328 478 Y HA 0.568 5.118 4.550 0.000 0.000 0.337 478 Y C -0.070 175.670 175.900 -0.267 0.000 0.966 478 Y CA -1.285 56.572 58.100 -0.405 0.000 1.136 478 Y CB 1.556 39.752 38.460 -0.438 0.000 1.170 478 Y HN 0.423 nan 8.280 nan 0.000 0.470 479 N N 4.754 123.033 118.700 -0.703 0.000 2.439 479 N HA 0.173 4.913 4.740 -0.000 0.000 0.243 479 N C 0.415 175.492 175.510 -0.721 0.000 1.088 479 N CA 0.532 53.270 53.050 -0.519 0.000 0.940 479 N CB 1.343 39.608 38.487 -0.370 0.000 1.180 479 N HN 0.902 nan 8.380 nan 0.000 0.505 480 A N 3.545 126.123 122.820 -0.405 0.000 2.067 480 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 480 A C 1.961 179.438 177.584 -0.178 0.000 1.158 480 A CA 1.484 53.383 52.037 -0.232 0.000 0.661 480 A CB -0.309 18.683 19.000 -0.013 0.000 0.801 480 A HN 0.694 nan 8.150 nan 0.000 0.452 481 A N -0.436 122.281 122.820 -0.172 0.000 1.930 481 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 481 A C 2.274 179.781 177.584 -0.129 0.000 1.176 481 A CA 2.121 54.088 52.037 -0.117 0.000 0.632 481 A CB -0.734 18.211 19.000 -0.092 0.000 0.819 481 A HN 0.709 nan 8.150 nan 0.000 0.445 482 T N -3.915 110.527 114.554 -0.187 0.000 3.001 482 T HA 0.202 4.552 4.350 -0.000 0.000 0.251 482 T C 0.213 174.791 174.700 -0.205 0.000 1.040 482 T CA 0.606 62.609 62.100 -0.162 0.000 0.985 482 T CB -0.157 68.623 68.868 -0.148 0.000 1.011 482 T HN 0.520 nan 8.240 nan 0.000 0.509 483 E N 1.313 121.294 120.200 -0.364 0.000 2.416 483 E HA -0.127 4.223 4.350 -0.000 0.000 0.249 483 E C -0.852 175.506 176.600 -0.405 0.000 1.124 483 E CA 0.522 56.660 56.400 -0.437 0.000 0.732 483 E CB -1.312 28.340 29.700 -0.081 0.000 1.286 483 E HN 0.654 nan 8.360 nan 0.000 0.394 484 E N -0.339 119.532 120.200 -0.548 0.000 2.312 484 E HA 0.443 4.793 4.350 -0.000 0.000 0.267 484 E C -0.425 175.938 176.600 -0.396 0.000 0.894 484 E CA -0.763 55.470 56.400 -0.278 0.000 0.773 484 E CB 1.001 30.625 29.700 -0.126 0.000 1.241 484 E HN 0.042 nan 8.360 nan 0.000 0.432 485 Y N -0.153 120.114 120.300 -0.054 0.000 2.316 485 Y HA 0.609 5.159 4.550 -0.000 0.000 0.324 485 Y C 1.155 177.006 175.900 -0.080 0.000 1.267 485 Y CA 0.519 58.560 58.100 -0.098 0.000 1.311 485 Y CB 1.720 40.178 38.460 -0.005 0.000 1.267 485 Y HN 0.660 nan 8.280 nan 0.000 0.516 486 G N 0.667 109.471 108.800 0.007 0.000 2.317 486 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.293 486 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.293 486 G C -1.913 173.025 174.900 0.064 0.000 1.287 486 G CA -1.189 43.964 45.100 0.087 0.000 0.850 486 G HN 0.515 nan 8.290 nan 0.000 0.515 487 N N 1.059 119.814 118.700 0.091 0.000 2.401 487 N HA 0.106 4.846 4.740 -0.000 0.000 0.255 487 N C 1.670 177.196 175.510 0.027 0.000 1.110 487 N CA -0.526 52.574 53.050 0.083 0.000 0.949 487 N CB 0.792 39.327 38.487 0.080 0.000 1.110 487 N HN 0.359 nan 8.380 nan 0.000 0.490 488 M N 3.418 123.027 119.600 0.015 0.000 2.149 488 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 488 M C 1.576 177.877 176.300 0.001 0.000 1.064 488 M CA 1.049 56.345 55.300 -0.007 0.000 1.102 488 M CB -0.585 32.012 32.600 -0.004 0.000 1.369 488 M HN 0.544 nan 8.290 nan 0.000 0.408 489 I N 0.442 121.021 120.570 0.016 0.000 2.233 489 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 489 I C 1.916 178.039 176.117 0.010 0.000 1.093 489 I CA 1.319 62.627 61.300 0.014 0.000 1.380 489 I CB -1.611 36.401 38.000 0.021 0.000 1.067 489 I HN 0.225 nan 8.210 nan 0.000 0.413 490 D N 0.587 120.996 120.400 0.016 0.000 2.178 490 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 490 D C 2.155 178.456 176.300 0.002 0.000 0.980 490 D CA 1.109 55.117 54.000 0.012 0.000 0.842 490 D CB -0.113 40.699 40.800 0.020 0.000 0.948 490 D HN 0.342 nan 8.370 nan 0.000 0.472 491 M N -0.652 118.945 119.600 -0.006 0.000 2.618 491 M HA 0.147 4.627 4.480 -0.000 0.000 0.240 491 M C 0.915 177.202 176.300 -0.022 0.000 1.123 491 M CA 0.356 55.644 55.300 -0.020 0.000 1.060 491 M CB 0.505 33.081 32.600 -0.040 0.000 1.535 491 M HN 0.009 nan 8.290 nan 0.000 0.507 492 G N 2.340 111.133 108.800 -0.012 0.000 2.221 492 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.265 492 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.265 492 G C -0.109 174.783 174.900 -0.014 0.000 1.041 492 G CA -0.169 44.925 45.100 -0.011 0.000 0.807 492 G HN 0.547 nan 8.290 nan 0.000 0.502 493 I N 0.836 121.396 120.570 -0.016 0.000 2.412 493 I HA 0.455 4.625 4.170 -0.000 0.000 0.279 493 I C 0.436 176.549 176.117 -0.006 0.000 1.063 493 I CA -0.539 60.750 61.300 -0.018 0.000 1.193 493 I CB 0.530 38.510 38.000 -0.033 0.000 1.370 493 I HN 0.010 nan 8.210 nan 0.000 0.479 494 L N 4.492 125.715 121.223 -0.001 0.000 2.341 494 L HA 0.691 5.031 4.340 -0.000 0.000 0.267 494 L C -1.018 175.858 176.870 0.010 0.000 1.009 494 L CA -0.956 53.887 54.840 0.006 0.000 0.819 494 L CB 2.070 44.134 42.059 0.008 0.000 1.323 494 L HN 0.295 nan 8.230 nan 0.000 0.425 495 D N 0.782 121.190 120.400 0.014 0.000 2.619 495 D HA 0.405 5.045 4.640 -0.000 0.000 0.241 495 D C -2.641 173.672 176.300 0.021 0.000 1.087 495 D CA -1.488 52.524 54.000 0.019 0.000 0.851 495 D CB 2.387 43.200 40.800 0.020 0.000 1.474 495 D HN 0.125 nan 8.370 nan 0.000 0.478 496 P HA 0.111 nan 4.420 nan 0.000 0.271 496 P C 0.809 178.122 177.300 0.023 0.000 1.226 496 P CA -0.051 63.063 63.100 0.023 0.000 0.765 496 P CB 0.686 32.403 31.700 0.029 0.000 0.835 497 T N 2.545 117.109 114.554 0.017 0.000 2.721 497 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 497 T C 1.615 176.326 174.700 0.018 0.000 1.038 497 T CA 1.394 63.504 62.100 0.016 0.000 1.145 497 T CB -0.293 68.581 68.868 0.011 0.000 0.858 497 T HN 0.501 nan 8.240 nan 0.000 0.459 498 K N 0.703 121.114 120.400 0.019 0.000 2.057 498 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 498 K C 2.446 179.071 176.600 0.042 0.000 1.049 498 K CA 1.515 57.817 56.287 0.025 0.000 0.931 498 K CB -0.379 32.132 32.500 0.018 0.000 0.714 498 K HN 0.329 nan 8.250 nan 0.000 0.440 499 V N 0.380 120.323 119.914 0.048 0.000 2.379 499 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 499 V C 1.728 177.855 176.094 0.054 0.000 1.044 499 V CA 2.426 64.763 62.300 0.062 0.000 1.036 499 V CB -0.590 31.272 31.823 0.065 0.000 0.664 499 V HN 0.365 nan 8.190 nan 0.000 0.453 500 T N 0.613 115.191 114.554 0.039 0.000 2.746 500 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 500 T C 1.964 176.681 174.700 0.028 0.000 1.039 500 T CA 2.146 64.265 62.100 0.032 0.000 1.142 500 T CB -0.413 68.469 68.868 0.024 0.000 0.866 500 T HN 0.615 nan 8.240 nan 0.000 0.444 501 R N 0.913 121.426 120.500 0.021 0.000 2.073 501 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 501 R C 2.558 178.858 176.300 -0.000 0.000 1.134 501 R CA 1.782 57.884 56.100 0.004 0.000 0.952 501 R CB -0.382 29.916 30.300 -0.003 0.000 0.850 501 R HN 0.243 nan 8.270 nan 0.000 0.433 502 S N 0.494 116.218 115.700 0.039 0.000 2.368 502 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 502 S C 1.982 176.681 174.600 0.164 0.000 1.030 502 S CA 1.099 59.358 58.200 0.098 0.000 0.999 502 S CB -0.197 63.127 63.200 0.206 0.000 0.844 502 S HN 0.575 nan 8.310 nan 0.000 0.459 503 A N 1.457 124.350 122.820 0.122 0.000 1.877 503 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 503 A C 2.136 179.770 177.584 0.082 0.000 1.186 503 A CA 1.468 53.574 52.037 0.114 0.000 0.620 503 A CB -0.788 18.255 19.000 0.070 0.000 0.822 503 A HN 0.415 nan 8.150 nan 0.000 0.443 504 L N -0.153 121.093 121.223 0.039 0.000 2.017 504 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 504 L C 2.518 179.379 176.870 -0.014 0.000 1.073 504 L CA 2.353 57.201 54.840 0.014 0.000 0.745 504 L CB -0.750 41.309 42.059 0.001 0.000 0.894 504 L HN 0.514 nan 8.230 nan 0.000 0.432 505 Q N -1.865 117.891 119.800 -0.072 0.000 2.079 505 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 505 Q C 2.150 178.030 176.000 -0.200 0.000 0.974 505 Q CA 1.953 57.650 55.803 -0.176 0.000 0.840 505 Q CB -0.295 28.262 28.738 -0.302 0.000 0.898 505 Q HN 0.520 nan 8.270 nan 0.000 0.430 506 Y N 0.094 120.397 120.300 0.005 0.000 2.314 506 Y HA -0.108 4.442 4.550 -0.000 0.000 0.293 506 Y C 2.325 178.227 175.900 0.004 0.000 1.129 506 Y CA 0.828 58.931 58.100 0.004 0.000 1.201 506 Y CB -0.541 37.922 38.460 0.004 0.000 0.999 506 Y HN 0.126 nan 8.280 nan 0.000 0.541 507 A N 0.012 122.912 122.820 0.134 0.000 1.877 507 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 507 A C 2.458 180.072 177.584 0.051 0.000 1.186 507 A CA 1.914 53.999 52.037 0.081 0.000 0.620 507 A CB -1.200 17.834 19.000 0.056 0.000 0.822 507 A HN 0.372 nan 8.150 nan 0.000 0.443 508 A N -0.862 121.974 122.820 0.026 0.000 1.930 508 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 508 A C 2.464 180.055 177.584 0.013 0.000 1.175 508 A CA 2.081 54.124 52.037 0.010 0.000 0.627 508 A CB -0.913 18.081 19.000 -0.010 0.000 0.815 508 A HN 0.597 nan 8.150 nan 0.000 0.443 509 S N -0.453 115.255 115.700 0.015 0.000 2.353 509 S HA -0.145 4.325 4.470 -0.000 0.000 0.222 509 S C 1.924 176.551 174.600 0.046 0.000 1.035 509 S CA 1.903 60.118 58.200 0.025 0.000 1.025 509 S CB -0.546 62.677 63.200 0.039 0.000 0.902 509 S HN 0.300 nan 8.310 nan 0.000 0.440 510 V N 2.284 122.239 119.914 0.068 0.000 2.358 510 V HA -0.071 4.049 4.120 -0.000 0.000 0.246 510 V C 2.933 179.049 176.094 0.036 0.000 1.047 510 V CA 1.681 64.014 62.300 0.054 0.000 1.035 510 V CB -1.435 30.424 31.823 0.059 0.000 0.658 510 V HN 0.631 nan 8.190 nan 0.000 0.452 511 A N 0.645 123.485 122.820 0.034 0.000 1.940 511 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 511 A C 2.407 180.002 177.584 0.020 0.000 1.176 511 A CA 2.005 54.056 52.037 0.024 0.000 0.631 511 A CB -1.187 17.826 19.000 0.022 0.000 0.814 511 A HN 0.537 nan 8.150 nan 0.000 0.446 512 G N -0.234 108.577 108.800 0.018 0.000 2.418 512 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 512 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 512 G C 1.545 176.455 174.900 0.016 0.000 1.158 512 G CA 1.009 46.118 45.100 0.014 0.000 0.771 512 G HN 0.444 nan 8.290 nan 0.000 0.545 513 L N -0.213 121.022 121.223 0.019 0.000 2.017 513 L HA -0.043 4.296 4.340 -0.000 0.000 0.208 513 L C 3.128 180.009 176.870 0.018 0.000 1.073 513 L CA 1.048 55.899 54.840 0.019 0.000 0.745 513 L CB -0.367 41.705 42.059 0.022 0.000 0.894 513 L HN 0.227 nan 8.230 nan 0.000 0.432 514 M N -0.532 119.080 119.600 0.019 0.000 2.117 514 M HA -0.207 4.273 4.480 -0.000 0.000 0.262 514 M C 2.308 178.618 176.300 0.016 0.000 1.065 514 M CA 1.807 57.117 55.300 0.018 0.000 1.114 514 M CB -0.386 32.225 32.600 0.019 0.000 1.361 514 M HN 0.203 nan 8.290 nan 0.000 0.408 515 I N 0.152 120.732 120.570 0.016 0.000 2.454 515 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 515 I C 1.824 177.950 176.117 0.015 0.000 1.156 515 I CA 1.437 62.746 61.300 0.014 0.000 1.433 515 I CB -0.437 37.570 38.000 0.013 0.000 1.082 515 I HN 0.410 nan 8.210 nan 0.000 0.432 516 T N -3.584 110.980 114.554 0.016 0.000 3.176 516 T HA 0.157 4.507 4.350 -0.000 0.000 0.263 516 T C 0.545 175.257 174.700 0.019 0.000 1.021 516 T CA -0.301 61.809 62.100 0.017 0.000 0.905 516 T CB -0.351 68.526 68.868 0.015 0.000 1.057 516 T HN -0.073 nan 8.240 nan 0.000 0.558 517 T N 2.424 116.989 114.554 0.017 0.000 2.817 517 T HA 0.301 4.651 4.350 -0.000 0.000 0.293 517 T C 0.628 175.339 174.700 0.019 0.000 0.964 517 T CA -0.459 61.650 62.100 0.015 0.000 1.085 517 T CB 1.468 70.343 68.868 0.012 0.000 0.921 517 T HN 0.090 nan 8.240 nan 0.000 0.502 518 E N 0.535 120.749 120.200 0.022 0.000 2.434 518 E HA 0.173 4.523 4.350 -0.000 0.000 0.207 518 E C 0.194 176.804 176.600 0.018 0.000 0.929 518 E CA 0.133 56.563 56.400 0.050 0.000 1.001 518 E CB 0.677 30.431 29.700 0.090 0.000 1.016 518 E HN 0.605 nan 8.360 nan 0.000 0.502 519 C N 0.358 119.614 119.300 -0.072 0.000 2.985 519 C HA 0.706 5.166 4.460 -0.000 0.000 0.314 519 C C -1.427 173.461 174.990 -0.169 0.000 1.215 519 C CA -0.650 58.206 59.018 -0.270 0.000 1.414 519 C CB 0.560 28.056 27.740 -0.407 0.000 1.842 519 C HN 0.122 nan 8.230 nan 0.000 0.477 520 M N 4.642 124.143 119.600 -0.166 0.000 2.393 520 M HA 0.601 5.081 4.480 -0.000 0.000 0.299 520 M C -1.163 175.191 176.300 0.089 0.000 1.103 520 M CA -0.572 54.747 55.300 0.031 0.000 0.910 520 M CB 2.165 34.901 32.600 0.226 0.000 1.659 520 M HN 0.418 nan 8.290 nan 0.000 0.445 521 V N 1.240 121.171 119.914 0.028 0.000 2.487 521 V HA 0.780 4.900 4.120 -0.000 0.000 0.298 521 V C -0.334 175.705 176.094 -0.093 0.000 1.028 521 V CA -0.416 61.883 62.300 -0.003 0.000 0.860 521 V CB 1.960 33.765 31.823 -0.030 0.000 0.991 521 V HN 0.950 nan 8.190 nan 0.000 0.427 522 T N 1.832 116.284 114.554 -0.170 0.000 2.843 522 T HA 0.399 4.749 4.350 -0.000 0.000 0.302 522 T C -1.333 173.257 174.700 -0.185 0.000 1.232 522 T CA -0.554 61.386 62.100 -0.267 0.000 1.009 522 T CB 1.899 70.428 68.868 -0.566 0.000 1.254 522 T HN 0.639 nan 8.240 nan 0.000 0.504 523 D N 1.665 121.973 120.400 -0.154 0.000 2.399 523 D HA 0.280 4.920 4.640 -0.000 0.000 0.241 523 D C 0.020 176.263 176.300 -0.095 0.000 1.133 523 D CA -0.102 53.841 54.000 -0.096 0.000 0.890 523 D CB 0.435 41.188 40.800 -0.077 0.000 1.201 523 D HN 0.277 nan 8.370 nan 0.000 0.432 524 L N 3.930 125.126 121.223 -0.044 0.000 2.453 524 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 524 L C -1.774 175.081 176.870 -0.025 0.000 1.182 524 L CA -1.337 53.492 54.840 -0.017 0.000 0.858 524 L CB 0.280 42.342 42.059 0.005 0.000 1.120 524 L HN 0.275 nan 8.230 nan 0.000 0.474 525 P HA 0.063 nan 4.420 nan 0.000 0.244 525 P C -0.995 176.301 177.300 -0.007 0.000 1.723 525 P CA 0.321 63.412 63.100 -0.016 0.000 1.110 525 P CB -0.068 31.632 31.700 0.001 0.000 1.972 526 K N 0.000 120.393 120.400 -0.012 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.282 56.287 -0.007 0.000 0.838 526 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543